A0A077ZND0_TRITR Loading...

AA permease domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZND0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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
1M67.8Low75.1Confident194 Ų19475.7 Ų75.796%0.95640%0.403SS*.  0-56.10-170.9-177.7163.500112.4I3 F4 F5M1-I3 PolarHBondContact O-N 3.2Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 2.73Å; M1-F5 PolarHBondContact O-N 2.74Å; M1-F5 VanDerWaalsContact O-N 3.11Å
2L75.6Confident74.6Confident77 Ų7773.7 Ų73.740%0.40340%0.395SS..Hα-helixtrans-56.6-47.4-176-173.667.2000114.2F4 F5 I6 I165 I231L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 3.1Å; L2-F5 WeakPolarHBondContact O-CB 3.19Å; L2-F5 PolarHBondContact O-N 3.18Å; L2-I6 HydrophobicContact CD1-CD1 4.37Å; L2-I6 HydrophobicContact CG-CD1 3.98Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.26Å; L2-I165 HydrophobicContact CD1-CD1 3.56Å; L2-I231 HydrophobicContact CD2-CD1 3.7Å; L2-I231 HydrophobicContact CD2-CG1 4.12Å; L2-I231 HydrophobicContact CG-CD1 4.1Å
3I78.2Confident74.1Confident61 Ų6169.2 Ų69.231%0.31337%0.371SS..Hα-helixtrans-59.5-42.8178.7-63.5170.1000111.1M1 F5 I6 L7 I231 F232M1-I3 PolarHBondContact O-N 3.2Å; I3-F5 PolarHBondContact O-N 3.5Å; I3-I6 PolarHBondContact O-N 2.64Å; I3-L7 HydrophobicContact CG2-CD1 3.86Å; I3-L7 HydrophobicContact CG2-CG 4.28Å; I3-L7 WeakPolarHBondContact O-CB 3.3Å; I3-L7 VanDerWaalsContact O-CG 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.36Å; I3-L7 PolarHBondContact O-N 3.17Å; I3-I231 HydrophobicContact CG1-CG2 4.43Å; I3-F232 HydrophobicContact CD1-CZ 4.2Å
4F79.7Confident73.4Confident142 Ų14270.6 Ų70.662%0.62338%0.383SS*.Hα-helixtrans-61.6-43.4177.9178.8-101.6000111.8M1 L2 I6 L7 L8M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 2.73Å; L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 3.1Å; F4-I6 PolarHBondContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.19Å; F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CE1-CD1 3.28Å; F4-L8 HydrophobicContact CE1-CG 4.24Å; F4-L8 HydrophobicContact CE2-CD1 4.24Å; F4-L8 HydrophobicContact CE2-CG 4.46Å; F4-L8 HydrophobicContact CZ-CD1 3.51Å; F4-L8 HydrophobicContact CZ-CG 4.19Å; F4-L8 WeakPolarHBondContact O-CG 3.48Å; F4-L8 PolarHBondContact O-N 3.02Å
5F76.8Confident72.9Confident61 Ų6170.6 Ų70.627%0.26840%0.397SS..Hα-helixtrans-61.5-44.2175.7-174.8-98000112M1 L2 I3 L7 L8 F9 L162 I165 I166M1-F5 PolarHBondContact O-N 2.74Å; M1-F5 VanDerWaalsContact O-N 3.11Å; L2-F5 WeakPolarHBondContact O-CB 3.19Å; L2-F5 PolarHBondContact O-N 3.18Å; I3-F5 PolarHBondContact O-N 3.5Å; F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.12Å; F5-L8 PolarHBondContact O-N 2.92Å; F5-F9 HydrophobicContact CE1-CD2 4.38Å; F5-F9 PolarHBondContact O-N 3.36Å; F5-L162 HydrophobicContact CD1-CD2 4.21Å; F5-L162 HydrophobicContact CD2-CD2 4.48Å; F5-L162 HydrophobicContact CE1-CD2 4.05Å; F5-L162 HydrophobicContact CE2-CD2 4.32Å; F5-L162 HydrophobicContact CG-CD2 4.42Å; F5-L162 HydrophobicContact CZ-CD2 4.11Å; F5-I165 HydrophobicContact CD1-CG2 4.29Å; F5-I165 HydrophobicContact CE1-CG2 4.13Å; F5-I166 HydrophobicContact CE1-CG1 4.1Å; F5-I166 HydrophobicContact CZ-CD1 4.1Å; F5-I166 HydrophobicContact CZ-CG1 3.9Å
6I79.1Confident72.5Confident2 Ų266.9 Ų66.91%0.0138%0.38CS..Hα-helixtrans-64.5-39.2178.4-66.7165.2000111.4L2 I3 F4 L8 F9 P10 L169 A224 T227 V228 I231L2-I6 HydrophobicContact CD1-CD1 4.37Å; L2-I6 HydrophobicContact CG-CD1 3.98Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.26Å; I3-I6 PolarHBondContact O-N 2.64Å; F4-I6 PolarHBondContact O-N 3.17Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-F9 WeakPolarHBondContact O-CB 3.45Å; I6-F9 PolarHBondContact O-N 3.17Å; I6-P10 WeakPolarHBondContact O-CD 3.4Å; I6-L169 HydrophobicContact CG1-CD1 4.32Å; I6-L169 HydrophobicContact CG2-CD1 4.43Å; I6-A224 HydrophobicContact CG2-CB 4.12Å; I6-T227 HydrophobicContact CD1-CG2 3.85Å; I6-V228 HydrophobicContact CG2-CG2 4.2Å; I6-I231 HydrophobicContact CD1-CD1 3.29Å
7L76.7Confident72.2Confident109 Ų10964.6 Ų64.657%0.57137%0.366SS*.Hα-helixtrans-71.2-28.5178.5-70175.3000113I3 F4 F5 P10I3-L7 HydrophobicContact CG2-CD1 3.86Å; I3-L7 HydrophobicContact CG2-CG 4.28Å; I3-L7 WeakPolarHBondContact O-CB 3.3Å; I3-L7 VanDerWaalsContact O-CG 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.36Å; I3-L7 PolarHBondContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.19Å; F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.12Å; L7-P10 WeakPolarHBondContact O-CD 3.36Å
8L77.4Confident72.4Confident93 Ų9370.2 Ų70.249%0.48739%0.385SS..Hα-helixtrans-77.4-26.2172-74178.9000112.9F4 F5 I6 G11 V12F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CE1-CD1 3.28Å; F4-L8 HydrophobicContact CE1-CG 4.24Å; F4-L8 HydrophobicContact CE2-CD1 4.24Å; F4-L8 HydrophobicContact CE2-CG 4.46Å; F4-L8 HydrophobicContact CZ-CD1 3.51Å; F4-L8 HydrophobicContact CZ-CG 4.19Å; F4-L8 WeakPolarHBondContact O-CG 3.48Å; F4-L8 PolarHBondContact O-N 3.02Å; F5-L8 PolarHBondContact O-N 2.92Å; I6-L8 VanDerWaalsContact C-N 3.34Å; L8-G11 PolarHBondContact O-N 3.16Å; L8-V12 PolarHBondContact O-N 3Å
9F73.5Confident72.7Confident4 Ų474.1 Ų74.12%0.01839%0.393CS..Hα-helixtrans-58.7-38.1-172.9-166.2-96.6000115.2F5 I6 G11 V12 N13 I166 L169F5-F9 HydrophobicContact CE1-CD2 4.38Å; F5-F9 PolarHBondContact O-N 3.36Å; I6-F9 WeakPolarHBondContact O-CB 3.45Å; I6-F9 PolarHBondContact O-N 3.17Å; F9-G11 PolarHBondContact O-N 2.94Å; F9-G11 VanDerWaalsContact O-N 3.14Å; F9-V12 HydrophobicContact CD2-CB 4.33Å; F9-V12 HydrophobicContact CE2-CG1 4.45Å; F9-V12 WeakPolarHBondContact O-CA 3.21Å; F9-V12 WeakPolarHBondContact O-CB 3.34Å; F9-V12 PolarHBondContact O-N 2.9Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.26Å; F9-N13 WeakPolarHBondContact CE1-OD1 3.41Å; F9-N13 WeakPolarHBondContact CZ-OD1 3.36Å; F9-N13 PolarHBondContact O-N 2.97Å; F9-I166 HydrophobicContact CD2-CG1 4.38Å; F9-I166 HydrophobicContact CE2-CB 3.91Å; F9-I166 HydrophobicContact CE2-CG1 3.73Å; F9-I166 HydrophobicContact CE2-CG2 3.78Å; F9-I166 HydrophobicContact CZ-CB 4.23Å; F9-I166 HydrophobicContact CZ-CG2 3.91Å; F9-I166 WeakPolarHBondContact CZ-O 3.38Å; F9-L169 HydrophobicContact CB-CD1 3.78Å; F9-L169 HydrophobicContact CD1-CB 3.25Å; F9-L169 HydrophobicContact CD1-CD1 3.48Å; F9-L169 VanDerWaalsContact CD1-CD1 3.48Å; F9-L169 HydrophobicContact CD1-CG 3.99Å; F9-L169 HydrophobicContact CD2-CD1 4.23Å; F9-L169 HydrophobicContact CE1-CB 3.11Å; F9-L169 HydrophobicContact CE1-CD1 4.11Å; F9-L169 HydrophobicContact CE1-CG 4.25Å; F9-L169 HydrophobicContact CG-CB 4.12Å; F9-L169 HydrophobicContact CG-CD1 3.53Å; F9-L169 HydrophobicContact CG-CG 4.49Å; F9-L169 HydrophobicContact CZ-CB 3.92Å
10P71.6Confident72.9Confident37 Ų3770.7 Ų70.724%0.2438%0.376CS..Hα-helixtrans-52.4-34171.4-28.233000113.7I6 L7 T220 A224I6-P10 WeakPolarHBondContact O-CD 3.4Å; L7-P10 WeakPolarHBondContact O-CD 3.36Å; P10-T220 HydrophobicContact CB-CG2 4.05Å; P10-T220 HydrophobicContact CG-CG2 4.15Å; P10-A224 HydrophobicContact CG-CB 4.43Å
11G69.4Low73.1Confident53 Ų5370.4 Ų70.455%0.54637%0.374SS..Hα-helixtrans-71.8-35.8174.400000113.2L8 F9 V14L8-G11 PolarHBondContact O-N 3.16Å; F9-G11 PolarHBondContact O-N 2.94Å; F9-G11 VanDerWaalsContact O-N 3.14Å; G11-V14 PolarHBondContact O-N 2.97Å
12V69.9Low73.8Confident51 Ų5170.1 Ų70.131%0.30936%0.362SS..Hα-helixtrans-69.5-35.4176.1-178.40000111.5L8 F9 V14 A15 W19L8-V12 PolarHBondContact O-N 3Å; F9-V12 HydrophobicContact CD2-CB 4.33Å; F9-V12 HydrophobicContact CE2-CG1 4.45Å; F9-V12 WeakPolarHBondContact O-CA 3.21Å; F9-V12 WeakPolarHBondContact O-CB 3.34Å; F9-V12 PolarHBondContact O-N 2.9Å; V12-V14 PolarHBondContact O-N 3.12Å; V12-A15 VanDerWaalsContact O-CB 3.23Å; V12-A15 WeakPolarHBondContact O-CB 3.17Å; V12-A15 PolarHBondContact O-N 3.21Å; V12-W19 HydrophobicContact CG1-CE3 4.48Å; V12-W19 HydrophobicContact CG1-CZ3 4.04Å
13N67.2Low74.2Confident16 Ų1668.1 Ų68.19%0.08635%0.353CS..Hα-helixtrans-59.6-26.9176.3-92.3-18.9000113.1F9 A15 L169 T220F9-N13 WeakPolarHBondContact CE1-ND2 3.26Å; F9-N13 WeakPolarHBondContact CE1-OD1 3.41Å; F9-N13 WeakPolarHBondContact CZ-OD1 3.36Å; F9-N13 PolarHBondContact O-N 2.97Å; N13-A15 VanDerWaalsContact C-N 3.29Å; N13-L169 PolarHBondContact ND2-O 3.14Å; N13-T220 VanDerWaalsContact ND2-CG2 3.3Å; N13-T220 WeakPolarHBondContact ND2-CG2 3.2Å
14V64.1Low74.6Confident88 Ų8867.4 Ų67.453%0.53335%0.348SS..THydrogen-bonded Turntrans-73.4-21.4175.3-177.60000112.1G11 V12 G16G11-V14 PolarHBondContact O-N 2.97Å; V12-V14 PolarHBondContact O-N 3.12Å; V14-G16 PolarHBondContact O-N 3.28Å
15A66.7Low74.9Confident71 Ų7165.7 Ų65.759%0.58735%0.345SS*.THydrogen-bonded Turntrans-72-5.6-18000000113.8V12 N13V12-A15 VanDerWaalsContact O-CB 3.23Å; V12-A15 WeakPolarHBondContact O-CB 3.17Å; V12-A15 PolarHBondContact O-N 3.21Å; N13-A15 VanDerWaalsContact C-N 3.29Å
16G67Low75.5Confident12 Ų1265.8 Ų65.812%0.12436%0.357CS..  trans93.1146.4169.100000115.2V14 K18 W19V14-G16 PolarHBondContact O-N 3.28Å; G16-K18 VanDerWaalsContact C-N 3.26Å; G16-K18 PolarHBondContact O-N 3.04Å; G16-W19 PolarHBondContact O-N 3.02Å
17I67.1Low76Confident28 Ų2867.5 Ų67.514%0.14437%0.366CS..Hα-helixtrans-51-41.3-175.7-44.1-179.3000113W19 V20 I21 Y170I17-W19 PolarHBondContact O-N 3.22Å; I17-V20 PolarHBondContact O-N 3.49Å; I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.21Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.37Å; I17-Y170 HydrophobicContact CB-CE2 4.33Å; I17-Y170 WeakPolarHBondContact CB-OH 3.23Å; I17-Y170 WeakPolarHBondContact CD1-OH 3.02Å; I17-Y170 HydrophobicContact CG1-CE2 3.9Å; I17-Y170 WeakPolarHBondContact CG1-OH 3.48Å; I17-Y170 HydrophobicContact CG2-CE1 4.45Å; I17-Y170 HydrophobicContact CG2-CE2 4.34Å; I17-Y170 WeakPolarHBondContact CG2-OH 2.94Å
18K75.4Confident76.7Confident165 Ų16566.6 Ų66.672%0.71736%0.361SS*.Hα-helixtrans-60.9-34.6-174.3-66.9-176.6-179.3178.80112.3G16 R22G16-K18 VanDerWaalsContact C-N 3.26Å; G16-K18 PolarHBondContact O-N 3.04Å; K18-R22 WeakPolarHBondContact O-CG 3.41Å; K18-R22 PolarHBondContact O-N 3.11Å
19W77.3Confident77.4Confident143 Ų14365.6 Ų65.654%0.54236%0.361SS..Hα-helixtrans-71.6-44.8179.1-172.283.6000110.8V12 G16 I17 I21 R22 T23V12-W19 HydrophobicContact CG1-CE3 4.48Å; V12-W19 HydrophobicContact CG1-CZ3 4.04Å; G16-W19 PolarHBondContact O-N 3.02Å; I17-W19 PolarHBondContact O-N 3.22Å; W19-I21 PolarHBondContact O-N 3.21Å; W19-R22 PolarHBondContact O-N 2.81Å; W19-T23 PolarHBondContact O-N 3.29Å; W19-T23 PolarHBondContact O-OG1 2.97Å; W19-T23 VanDerWaalsContact O-OG1 3.06Å
20V77.3Confident78.3Confident6 Ų668.6 Ų68.64%0.03637%0.374CS..Hα-helixtrans-57.4-47.2177.3179.10000111.4I17 R22 T23 Q24 I166I17-V20 PolarHBondContact O-N 3.49Å; V20-R22 PolarHBondContact O-N 3.42Å; V20-T23 PolarHBondContact O-N 3.23Å; V20-Q24 WeakPolarHBondContact O-CG 3.45Å; V20-Q24 PolarHBondContact O-N 3.41Å; V20-I166 HydrophobicContact CG1-CG2 3.7Å
21I76.7Confident79.3Confident66 Ų6669.2 Ų69.234%0.33838%0.375SS..Hα-helixtrans-62.1-42.5179-65.5173.9000111.5I17 W19 Q24 I25 M94I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.21Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.37Å; W19-I21 PolarHBondContact O-N 3.21Å; I21-Q24 PolarHBondContact O-N 3.09Å; I21-I25 PolarHBondContact O-N 3.37Å; I21-M94 HydrophobicContact CD1-CE 4.07Å; I21-M94 HydrophobicContact CG1-CE 4.2Å
22R82.9Confident80.5Confident187 Ų18771.9 Ų71.971%0.70637%0.372SS*.Hα-helixtrans-64.6-41.8177.5-74.4177.3-178.5-179.1-0.3111.8K18 W19 V20 Q24 I25 A26K18-R22 WeakPolarHBondContact O-CG 3.41Å; K18-R22 PolarHBondContact O-N 3.11Å; W19-R22 PolarHBondContact O-N 2.81Å; V20-R22 PolarHBondContact O-N 3.42Å; R22-Q24 VanDerWaalsContact C-N 3.33Å; R22-Q24 PolarHBondContact O-N 3.03Å; R22-I25 PolarHBondContact O-N 3.38Å; R22-A26 PolarHBondContact O-N 2.93Å
23T84.1Confident81.6Confident35 Ų3574.6 Ų74.622%0.21538%0.384CS..Hα-helixtrans-61.4-42.5175.3-59.80000110.7W19 V20 I25 A26 L27W19-T23 PolarHBondContact O-N 3.29Å; W19-T23 PolarHBondContact O-OG1 2.97Å; W19-T23 VanDerWaalsContact O-OG1 3.06Å; V20-T23 PolarHBondContact O-N 3.23Å; T23-I25 VanDerWaalsContact C-N 3.29Å; T23-I25 PolarHBondContact O-N 3.01Å; T23-A26 PolarHBondContact O-N 3.34Å; T23-A26 VanDerWaalsContact O-N 3.11Å; T23-L27 HydrophobicContact CG2-CD1 3.93Å; T23-L27 HydrophobicContact CG2-CG 4.09Å; T23-L27 VanDerWaalsContact O-CG 3.31Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 2.89Å
24Q86Confident83Confident47 Ų4773.9 Ų73.922%0.2238%0.38CS..Hα-helixtrans-57.2-38.2177.9-77.8178.3-21.100113.3V20 I21 R22 L27 L28 N167V20-Q24 WeakPolarHBondContact O-CG 3.45Å; V20-Q24 PolarHBondContact O-N 3.41Å; I21-Q24 PolarHBondContact O-N 3.09Å; R22-Q24 VanDerWaalsContact C-N 3.33Å; R22-Q24 PolarHBondContact O-N 3.03Å; Q24-L27 PolarHBondContact O-N 3.08Å; Q24-L28 WeakPolarHBondContact O-CB 3.1Å; Q24-L28 PolarHBondContact O-N 3.17Å; Q24-N167 PolarHBondContact NE2-OD1 3.37Å
25I87Confident84.4Confident106 Ų10670.8 Ų70.854%0.54436%0.361SS..Hα-helixtrans-64.8-44.4176.4-64.2171.4000110.9I21 R22 T23 L27 L28 C29I21-I25 PolarHBondContact O-N 3.37Å; R22-I25 PolarHBondContact O-N 3.38Å; T23-I25 VanDerWaalsContact C-N 3.29Å; T23-I25 PolarHBondContact O-N 3.01Å; I25-L27 PolarHBondContact O-N 3.23Å; I25-L28 PolarHBondContact O-N 3.42Å; I25-C29 PolarHBondContact O-N 3.17Å; I25-C29 PolarHBondContact O-SG 2.93Å; I25-C29 VanDerWaalsContact O-SG 3.4Å
26A89.4Confident85.7Confident63 Ų6368.8 Ų68.852%0.52135%0.347SS..Hα-helixtrans-63.1-42.1177.200000112R22 T23 L28 C29 F30R22-A26 PolarHBondContact O-N 2.93Å; T23-A26 PolarHBondContact O-N 3.34Å; T23-A26 VanDerWaalsContact O-N 3.11Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-C29 PolarHBondContact O-N 3.34Å; A26-F30 PolarHBondContact O-N 3.41Å; A26-F30 VanDerWaalsContact O-N 3.14Å
27L90.1Very high87Confident37 Ų3768.7 Ų68.719%0.19434%0.343CS..Hα-helixtrans-65.9-36.7176.5-59.6176.7000111.6T23 Q24 I25 F30 L31 V159T23-L27 HydrophobicContact CG2-CD1 3.93Å; T23-L27 HydrophobicContact CG2-CG 4.09Å; T23-L27 VanDerWaalsContact O-CG 3.31Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 2.89Å; Q24-L27 PolarHBondContact O-N 3.08Å; I25-L27 PolarHBondContact O-N 3.23Å; L27-F30 PolarHBondContact O-N 3.19Å; L27-L31 PolarHBondContact O-N 3.17Å; L27-V159 HydrophobicContact CB-CG1 3.8Å; L27-V159 HydrophobicContact CD2-CG1 3.5Å; L27-V159 HydrophobicContact CG-CG1 4.09Å
28L91.1Very high88.4Confident90 Ų9067.3 Ų67.347%0.47134%0.337SS..Hα-helixtrans-64.3-43.7175.4-179.664.6000111.7Q24 I25 A26 F30 L31 F32Q24-L28 WeakPolarHBondContact O-CB 3.1Å; Q24-L28 PolarHBondContact O-N 3.17Å; I25-L28 PolarHBondContact O-N 3.42Å; A26-L28 VanDerWaalsContact C-N 3.34Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 PolarHBondContact O-N 3.31Å; L28-L31 WeakPolarHBondContact O-CB 3.24Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-F32 HydrophobicContact CD1-CD2 4.15Å; L28-F32 HydrophobicContact CD1-CE2 3.69Å; L28-F32 HydrophobicContact CD1-CZ 4.41Å; L28-F32 HydrophobicContact CD2-CE2 4.15Å; L28-F32 HydrophobicContact CG-CD2 4.01Å; L28-F32 HydrophobicContact CG-CE2 3.69Å; L28-F32 VanDerWaalsContact O-CD2 3.27Å; L28-F32 WeakPolarHBondContact O-CD2 3.3Å; L28-F32 PolarHBondContact O-N 3.04Å
29C91.8Very high89.3Confident73 Ų7361.7 Ų61.749%0.49332%0.316SS..Hα-helixtrans-58.8-43.3174.4-69.10000111.6I25 A26 L31 F32 L33I25-C29 PolarHBondContact O-N 3.17Å; I25-C29 PolarHBondContact O-SG 2.93Å; I25-C29 VanDerWaalsContact O-SG 3.4Å; A26-C29 PolarHBondContact O-N 3.34Å; C29-L31 VanDerWaalsContact C-N 3.33Å; C29-L31 PolarHBondContact O-N 3.2Å; C29-F32 PolarHBondContact O-N 3.46Å; C29-L33 PolarHBondContact O-N 2.94Å
30F93.2Very high90.1Very high67 Ų6759.2 Ų59.229%0.29431%0.312SS..Hα-helixtrans-64.3-37.8176.2-173.2-97.8000112.4A26 L27 L28 F32 L33 A34 L152 V159A26-F30 PolarHBondContact O-N 3.41Å; A26-F30 VanDerWaalsContact O-N 3.14Å; L27-F30 PolarHBondContact O-N 3.19Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 PolarHBondContact O-N 3.31Å; F30-F32 PolarHBondContact O-N 3.01Å; F30-L33 WeakPolarHBondContact O-CB 3.42Å; F30-L33 PolarHBondContact O-N 3.28Å; F30-A34 PolarHBondContact O-N 3.3Å; F30-L152 HydrophobicContact CE2-CD1 3.74Å; F30-L152 HydrophobicContact CZ-CD1 3.79Å; F30-V159 HydrophobicContact CD1-CB 3.96Å; F30-V159 HydrophobicContact CD1-CG1 3.95Å; F30-V159 HydrophobicContact CD1-CG2 3.85Å; F30-V159 HydrophobicContact CE1-CB 4.19Å; F30-V159 HydrophobicContact CE1-CG2 3.81Å
31L92.6Very high90.8Very high50 Ų5058.9 Ų58.926%0.26231%0.31SS..Hα-helixtrans-62.8-40.9175-174.264.5000111.9L27 L28 C29 L33 A34 I35L27-L31 PolarHBondContact O-N 3.17Å; L28-L31 WeakPolarHBondContact O-CB 3.24Å; L28-L31 PolarHBondContact O-N 3.47Å; C29-L31 VanDerWaalsContact C-N 3.33Å; C29-L31 PolarHBondContact O-N 3.2Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 3.11Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.34Å; L31-I35 HydrophobicContact CG-CD1 4.06Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.19Å
32F92.7Very high91.6Very high108 Ų10855.8 Ų55.847%0.47430%0.295SS..Hα-helixtrans-62.8-36.5174.5-80.7-65.5000112.6L28 C29 F30 I35 G36L28-F32 HydrophobicContact CD1-CD2 4.15Å; L28-F32 HydrophobicContact CD1-CE2 3.69Å; L28-F32 HydrophobicContact CD1-CZ 4.41Å; L28-F32 HydrophobicContact CD2-CE2 4.15Å; L28-F32 HydrophobicContact CG-CD2 4.01Å; L28-F32 HydrophobicContact CG-CE2 3.69Å; L28-F32 VanDerWaalsContact O-CD2 3.27Å; L28-F32 WeakPolarHBondContact O-CD2 3.3Å; L28-F32 PolarHBondContact O-N 3.04Å; C29-F32 PolarHBondContact O-N 3.46Å; F30-F32 PolarHBondContact O-N 3.01Å; F32-I35 HydrophobicContact CD1-CD1 4.49Å; F32-I35 PolarHBondContact O-N 3.2Å; F32-G36 PolarHBondContact O-N 3.27Å
33L94.2Very high92.1Very high108 Ų10852.9 Ų52.957%0.56529%0.293SS*.Hα-helixtrans-64.6-43.1173.1-66174.3000111.7C29 F30 L31 I35 G36 D37 L152C29-L33 PolarHBondContact O-N 2.94Å; F30-L33 WeakPolarHBondContact O-CB 3.42Å; F30-L33 PolarHBondContact O-N 3.28Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 3.11Å; L33-I35 VanDerWaalsContact C-N 3.35Å; L33-I35 PolarHBondContact O-N 3.49Å; L33-G36 PolarHBondContact O-N 2.93Å; L33-D37 PolarHBondContact O-N 3.04Å; L33-L152 HydrophobicContact CB-CD2 4.37Å
34A95.5Very high92.4Very high1 Ų154.3 Ų54.31%0.00831%0.308CS..Hα-helixtrans-63.1-38.6175.500000112.8F30 L31 D37 F38F30-A34 PolarHBondContact O-N 3.3Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.34Å; A34-D37 PolarHBondContact O-N 3.48Å; A34-F38 PolarHBondContact O-N 3.38Å; A34-F38 VanDerWaalsContact O-N 3.11Å
35I93.9Very high92.3Very high24 Ų2452.8 Ų52.812%0.12330%0.301CS..Hα-helixtrans-65-43.2173.1-68.5162.4000110.3L31 F32 L33 D37 F38 V39 L119 F123L31-I35 HydrophobicContact CG-CD1 4.06Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.19Å; F32-I35 HydrophobicContact CD1-CD1 4.49Å; F32-I35 PolarHBondContact O-N 3.2Å; L33-I35 VanDerWaalsContact C-N 3.35Å; L33-I35 PolarHBondContact O-N 3.49Å; I35-D37 PolarHBondContact O-N 2.89Å; I35-F38 WeakPolarHBondContact O-CB 3.3Å; I35-F38 PolarHBondContact O-N 3.27Å; I35-V39 HydrophobicContact CG2-CG2 4.4Å; I35-V39 WeakPolarHBondContact O-CG2 3.3Å; I35-V39 PolarHBondContact O-N 3.48Å; I35-L119 HydrophobicContact CD1-CD1 3.86Å; I35-L119 HydrophobicContact CD1-CD2 4.29Å; I35-L119 HydrophobicContact CG2-CD2 3.89Å; I35-F123 HydrophobicContact CG1-CE2 4.26Å; I35-F123 HydrophobicContact CG2-CE2 4.29Å
36G94.4Very high92.3Very high29 Ų2952.1 Ų52.130%0.29930%0.303SS..Hα-helixtrans-59.8-43.3175.600000112.8F32 L33 F38 V39 I40F32-G36 PolarHBondContact O-N 3.27Å; L33-G36 PolarHBondContact O-N 2.93Å; G36-F38 VanDerWaalsContact C-N 3.31Å; G36-F38 PolarHBondContact O-N 2.91Å; G36-V39 PolarHBondContact O-N 3.45Å; G36-I40 WeakPolarHBondContact O-CB 3.26Å; G36-I40 VanDerWaalsContact O-CG1 3.3Å; G36-I40 WeakPolarHBondContact O-CG1 3.41Å; G36-I40 PolarHBondContact O-N 3.02Å
37D95Very high92.2Very high9 Ų952.8 Ų52.85%0.04829%0.294CS..Hα-helixtrans-59.1-40.4174.6-177.577.8000112.4L33 A34 I35 G41 S147 L148 T149 L152L33-D37 PolarHBondContact O-N 3.04Å; A34-D37 PolarHBondContact O-N 3.48Å; I35-D37 PolarHBondContact O-N 2.89Å; D37-G41 PolarHBondContact O-N 2.94Å; D37-S147 WeakPolarHBondContact OD2-CB 3.5Å; D37-L148 PolarHBondContact O-N 3.1Å; D37-L148 VanDerWaalsContact O-N 3.07Å; D37-T149 VanDerWaalsContact CG-OG1 3.28Å; D37-T149 WeakPolarHBondContact OD1-CB 3.2Å; D37-T149 WeakPolarHBondContact OD1-CG2 3.46Å; D37-T149 PolarHBondContact OD1-N 3.38Å; D37-T149 PolarHBondContact OD1-OG1 2.88Å; D37-T149 PolarHBondContact OD2-OG1 2.96Å; D37-L152 HydrophobicContact CB-CB 4.19Å; D37-L152 HydrophobicContact CB-CD2 3.77Å; D37-L152 HydrophobicContact CB-CG 4.15Å
38F95.2Very high91.9Very high0 Ų055.4 Ų55.40%031%0.313CS..Hα-helixtrans-65.7-49.6173.1171.3-97.1000112.3A34 I35 G36 I40 G41 A42 F123 L127 V143 V146 L153A34-F38 PolarHBondContact O-N 3.38Å; A34-F38 VanDerWaalsContact O-N 3.11Å; I35-F38 WeakPolarHBondContact O-CB 3.3Å; I35-F38 PolarHBondContact O-N 3.27Å; G36-F38 VanDerWaalsContact C-N 3.31Å; G36-F38 PolarHBondContact O-N 2.91Å; F38-I40 PolarHBondContact O-N 3.31Å; F38-G41 CarbonylContact O-C 3.01Å; F38-G41 PolarHBondContact O-N 3.33Å; F38-A42 HydrophobicContact CZ-CB 4.46Å; F38-A42 WeakPolarHBondContact O-CB 3.1Å; F38-A42 PolarHBondContact O-N 3.47Å; F38-F123 HydrophobicContact CB-CE1 4.08Å; F38-F123 HydrophobicContact CB-CZ 3.9Å; F38-F123 AromaticContact CD1-CD1 3.75Å; F38-F123 HydrophobicContact CD1-CD1 3.75Å; F38-F123 HydrophobicContact CD1-CD2 4.07Å; F38-F123 AromaticContact CD1-CE1 3.44Å; F38-F123 HydrophobicContact CD1-CE1 3.44Å; F38-F123 VanDerWaalsContact CD1-CE1 3.44Å; F38-F123 AromaticContact CD1-CE2 3.8Å; F38-F123 HydrophobicContact CD1-CE2 3.8Å; F38-F123 HydrophobicContact CD1-CG 4.07Å; F38-F123 AromaticContact CD1-CZ 3.47Å; F38-F123 HydrophobicContact CD1-CZ 3.47Å; F38-F123 VanDerWaalsContact CD1-CZ 3.47Å; F38-F123 HydrophobicContact CD2-CD1 4.16Å; F38-F123 AromaticContact CD2-CE1 3.7Å; F38-F123 HydrophobicContact CD2-CE1 3.7Å; F38-F123 HydrophobicContact CD2-CZ 4.35Å; F38-F123 HydrophobicContact CE1-CB 4.31Å; F38-F123 AromaticContact CE1-CD1 3.53Å; F38-F123 HydrophobicContact CE1-CD1 3.53Å; F38-F123 HydrophobicContact CE1-CD2 4.05Å; F38-F123 AromaticContact CE1-CE1 3.75Å; F38-F123 HydrophobicContact CE1-CE1 3.75Å; F38-F123 HydrophobicContact CE1-CE2 4.25Å; F38-F123 AromaticContact CE1-CG 3.7Å; F38-F123 HydrophobicContact CE1-CG 3.7Å; F38-F123 HydrophobicContact CE1-CZ 4.11Å; F38-F123 AromaticContact CE2-CD1 3.95Å; F38-F123 HydrophobicContact CE2-CD1 3.95Å; F38-F123 AromaticContact CE2-CE1 3.97Å; F38-F123 HydrophobicContact CE2-CE1 3.97Å; F38-F123 HydrophobicContact CG-CD1 4.07Å; F38-F123 AromaticContact CG-CE1 3.42Å; F38-F123 HydrophobicContact CG-CE1 3.42Å; F38-F123 VanDerWaalsContact CG-CE1 3.42Å; F38-F123 HydrophobicContact CG-CE2 4.39Å; F38-F123 AromaticContact CG-CZ 3.61Å; F38-F123 HydrophobicContact CG-CZ 3.61Å; F38-F123 AromaticContact CZ-CD1 3.63Å; F38-F123 HydrophobicContact CZ-CD1 3.63Å; F38-F123 AromaticContact CZ-CE1 4Å; F38-F123 HydrophobicContact CZ-CE1 4Å; F38-F123 HydrophobicContact CZ-CG 4.13Å; F38-L127 HydrophobicContact CE2-CD2 3.86Å; F38-L127 HydrophobicContact CE2-CG 4.28Å; F38-L127 HydrophobicContact CZ-CD2 4.06Å; F38-L127 HydrophobicContact CZ-CG 4.01Å; F38-V143 HydrophobicContact CD2-CG1 3.93Å; F38-V143 HydrophobicContact CE2-CG1 3.79Å; F38-V146 HydrophobicContact CD2-CG1 4.33Å; F38-V146 HydrophobicContact CE2-CB 4.27Å; F38-V146 HydrophobicContact CE2-CG1 3.83Å; F38-L153 HydrophobicContact CB-CD1 4.24Å; F38-L153 HydrophobicContact CB-CD2 4.36Å; F38-L153 HydrophobicContact CD2-CD2 4.2Å
39V94.3Very high91.7Very high46 Ų4657.4 Ų57.428%0.27932%0.324SS..Hα-helixtrans-63.2-44.2-176.7172.30000111.2I35 G36 G41 A42 L43 V122I35-V39 HydrophobicContact CG2-CG2 4.4Å; I35-V39 WeakPolarHBondContact O-CG2 3.3Å; I35-V39 PolarHBondContact O-N 3.48Å; G36-V39 PolarHBondContact O-N 3.45Å; V39-G41 VanDerWaalsContact C-N 3.35Å; V39-A42 PolarHBondContact O-N 3.29Å; V39-L43 HydrophobicContact CG1-CD1 4.24Å; V39-L43 WeakPolarHBondContact O-CG 3.29Å; V39-L43 PolarHBondContact O-N 3.17Å; V39-V122 HydrophobicContact CG2-CG1 3.85Å
40I94.1Very high91.4Very high91 Ų9156.8 Ų56.847%0.46731%0.314SS..Hα-helixtrans-65.4-42.4175.9-64.3167.8000110G36 F38 A42 L43 A44 L148G36-I40 WeakPolarHBondContact O-CB 3.26Å; G36-I40 VanDerWaalsContact O-CG1 3.3Å; G36-I40 WeakPolarHBondContact O-CG1 3.41Å; G36-I40 PolarHBondContact O-N 3.02Å; F38-I40 PolarHBondContact O-N 3.31Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-L43 PolarHBondContact O-N 3.29Å; I40-A44 WeakPolarHBondContact O-CB 3.36Å; I40-A44 PolarHBondContact O-N 2.93Å; I40-L148 HydrophobicContact CG2-CD2 4.02Å
41G93.6Very high91Very high0 Ų053.9 Ų53.90%030%0.303CS..Hα-helixtrans-58.9-44.5175.300000113D37 F38 V39 L43 A44 T45 V146D37-G41 PolarHBondContact O-N 2.94Å; F38-G41 CarbonylContact O-C 3.01Å; F38-G41 PolarHBondContact O-N 3.33Å; V39-G41 VanDerWaalsContact C-N 3.35Å; G41-L43 PolarHBondContact O-N 3.39Å; G41-A44 PolarHBondContact O-N 3.44Å; G41-T45 WeakPolarHBondContact O-CA 3.47Å; G41-T45 WeakPolarHBondContact O-CB 3.3Å; G41-T45 PolarHBondContact O-N 2.95Å; G41-T45 PolarHBondContact O-OG1 3.44Å; G41-V146 CarbonylContact C-O 3.58Å; G41-V146 WeakPolarHBondContact CA-O 3.42Å
42A92.8Very high90.8Very high1 Ų151.5 Ų51.51%0.00829%0.29CS..Hα-helixtrans-63.2-29.3177.800000113.1F38 V39 I40 V130 V146F38-A42 HydrophobicContact CZ-CB 4.46Å; F38-A42 WeakPolarHBondContact O-CB 3.1Å; F38-A42 PolarHBondContact O-N 3.47Å; V39-A42 PolarHBondContact O-N 3.29Å; I40-A42 PolarHBondContact O-N 2.9Å; A42-V130 HydrophobicContact CB-CG2 4.37Å; A42-V130 WeakPolarHBondContact O-CG2 3.45Å; A42-V146 HydrophobicContact CB-CG1 3.83Å
43L92.3Very high90.2Very high126 Ų12649.7 Ų49.766%0.6629%0.285SS*.Hα-helixtrans-83.8-31.1177.6-67.9166.1000113.1V39 I40 G41 I55V39-L43 HydrophobicContact CG1-CD1 4.24Å; V39-L43 WeakPolarHBondContact O-CG 3.29Å; V39-L43 PolarHBondContact O-N 3.17Å; I40-L43 PolarHBondContact O-N 3.29Å; G41-L43 PolarHBondContact O-N 3.39Å; L43-I55 HydrophobicContact CD2-CD1 3.61Å
44A90.9Very high89.7Confident64 Ų6445 Ų4553%0.52926%0.263SS..Hα-helixtrans-108.4-25.4-169.600000114.7I40 G41 T46I40-A44 WeakPolarHBondContact O-CB 3.36Å; I40-A44 PolarHBondContact O-N 2.93Å; G41-A44 PolarHBondContact O-N 3.44Å; A44-T46 PolarHBondContact O-N 3.38Å
45T85.1Confident89.4Confident15 Ų1549.8 Ų49.89%0.09229%0.287CS..  trans-81.8119.6-171.2-56.80000111.3G41 K47 M52 V146G41-T45 WeakPolarHBondContact O-CA 3.47Å; G41-T45 WeakPolarHBondContact O-CB 3.3Å; G41-T45 PolarHBondContact O-N 2.95Å; G41-T45 PolarHBondContact O-OG1 3.44Å; T45-K47 HydrophobicContact CG2-CD 4.02Å; T45-K47 HydrophobicContact CG2-CG 4.06Å; T45-M52 HydrophobicContact CG2-SD 4.49Å; T45-V146 PolarHBondContact OG1-O 3.06Å
46T86.4Confident89.3Confident93 Ų9349.9 Ų49.957%0.57129%0.29SS*.  trans-122.7115.3167.552.80000109A44 M52A44-T46 PolarHBondContact O-N 3.38Å; T46-M52 CarbonylContact C-O 3.45Å
47K86.4Confident89.2Confident77 Ų7752 Ų5234%0.33530%0.304SS..BIsolated β-bridgetrans-139.781.8178-70.6176.8-170.4156.80107.8T45 D49 Q50 M52T45-K47 HydrophobicContact CG2-CD 4.02Å; T45-K47 HydrophobicContact CG2-CG 4.06Å; K47-D49 VanDerWaalsContact C-OD1 3.27Å; K47-D49 WeakPolarHBondContact CA-OD1 3.44Å; K47-D49 WeakPolarHBondContact CB-OD1 3.37Å; K47-D49 PolarHBondContact O-N 3.35Å; K47-Q50 HydrophobicContact CB-CB 4.4Å; K47-Q50 PolarHBondContact O-N 3.49Å; K47-M52 CarbonylContact C-O 3.57Å; K47-M52 HydrophobicContact CB-CB 4.41Å; K47-M52 HydrophobicContact CB-CE 3.88Å; K47-M52 HydrophobicContact CD-CE 3.95Å; K47-M52 HydrophobicContact CG-CE 4.49Å; K47-M52 PolarHBondContact N-O 3.36Å; K47-M52 PolarHBondContact O-N 3.03Å; K47-M52 VanDerWaalsContact O-N 3.12Å
48P84.5Confident89Confident92 Ų9257.6 Ų57.660%0.59733%0.33SS*.G310 helixtrans-58.5-30.4-175.7-25.135000113.2Q50 G51 I53P48-Q50 PolarHBondContact O-N 2.95Å; P48-G51 PolarHBondContact O-N 2.99Å; P48-G51 VanDerWaalsContact O-N 3.15Å; P48-I53 HydrophobicContact CB-CG2 4.42Å
49D87.2Confident88.8Confident131 Ų13158 Ų5870%0.70133%0.333SS*.G310 helixtrans-61-21.2175.861.5-51.4000113.8K47K47-D49 VanDerWaalsContact C-OD1 3.27Å; K47-D49 WeakPolarHBondContact CA-OD1 3.44Å; K47-D49 WeakPolarHBondContact CB-OD1 3.37Å; K47-D49 PolarHBondContact O-N 3.35Å
50Q84.8Confident88.8Confident60 Ų6059.9 Ų59.928%0.2834%0.337SS..G310 helixtrans-111.414.5-179-60.8179.4-0.600112.3K47 P48 M52K47-Q50 HydrophobicContact CB-CB 4.4Å; K47-Q50 PolarHBondContact O-N 3.49Å; P48-Q50 PolarHBondContact O-N 2.95Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 HydrophobicContact CB-CE 3.5Å; Q50-M52 HydrophobicContact CG-CE 4.33Å; Q50-M52 PolarHBondContact O-N 3.42Å
51G85Confident88.7Confident6 Ų662.4 Ų62.46%0.06235%0.347CS..THydrogen-bonded Turntrans71.123.9-176.900000113.6P48 E132P48-G51 PolarHBondContact O-N 2.99Å; P48-G51 VanDerWaalsContact O-N 3.15Å; G51-E132 PolarHBondContact O-N 3.14Å
52M87.7Confident88.7Confident0 Ų066.6 Ų66.60%037%0.369CS..BIsolated β-bridgetrans-113.687.3177.9-67.1-179.3-80.600110.2T45 T46 K47 Q50 G54 V130 F142 K145 V146T45-M52 HydrophobicContact CG2-SD 4.49Å; T46-M52 CarbonylContact C-O 3.45Å; K47-M52 CarbonylContact C-O 3.57Å; K47-M52 HydrophobicContact CB-CB 4.41Å; K47-M52 HydrophobicContact CB-CE 3.88Å; K47-M52 HydrophobicContact CD-CE 3.95Å; K47-M52 HydrophobicContact CG-CE 4.49Å; K47-M52 PolarHBondContact N-O 3.36Å; K47-M52 PolarHBondContact O-N 3.03Å; K47-M52 VanDerWaalsContact O-N 3.12Å; Q50-M52 VanDerWaalsContact C-N 3.31Å; Q50-M52 HydrophobicContact CB-CE 3.5Å; Q50-M52 HydrophobicContact CG-CE 4.33Å; Q50-M52 PolarHBondContact O-N 3.42Å; M52-G54 PolarHBondContact O-N 3.04Å; M52-V130 HydrophobicContact CB-CG1 4.2Å; M52-V130 HydrophobicContact CG-CG1 4.16Å; M52-F142 HydrophobicContact CG-CE2 3.57Å; M52-F142 HydrophobicContact CG-CZ 3.56Å; M52-F142 HydrophobicContact SD-CE2 4.22Å; M52-F142 HydrophobicContact SD-CZ 4.26Å; M52-K145 HydrophobicContact CE-CB 3.6Å; M52-K145 HydrophobicContact SD-CB 4.22Å; M52-V146 HydrophobicContact CG-CG2 4.27Å; M52-V146 HydrophobicContact SD-CB 4.2Å; M52-V146 HydrophobicContact SD-CG2 3.48Å; M52-V146 WeakPolarHBondContact SD-CG2 3.43Å
53I81.3Confident88.8Confident71 Ų7168.2 Ų68.236%0.36438%0.378SS..  trans-86.25.7179.657.6170.6000113.4P48 N59P48-I53 HydrophobicContact CB-CG2 4.42Å; I53-N59 WeakPolarHBondContact CD1-ND2 3.45Å; I53-N59 WeakPolarHBondContact CG1-ND2 3.42Å
54G84.3Confident88.8Confident9 Ų969.9 Ų69.99%0.09338%0.38CS..SBendtrans88.2-178.6-170.500000111.8M52 S56M52-G54 PolarHBondContact O-N 3.04Å; G54-S56 PolarHBondContact O-N 3.26Å
55I89.2Confident88.9Confident101 Ų10174.6 Ų74.652%0.51839%0.388SS..SBendtrans-63.8108.5-179.4-63.7-179.8000109.3L43 A129 V130L43-I55 HydrophobicContact CD2-CD1 3.61Å; I55-A129 HydrophobicContact CG2-CB 4.12Å; I55-V130 HydrophobicContact CG1-CG2 3.83Å
56S90.5Very high89.3Confident26 Ų2678.1 Ų78.118%0.18241%0.412CS..  trans-122.8130.7-178.8175.40000111.1G54 E58 N59 F60 A129G54-S56 PolarHBondContact O-N 3.26Å; S56-E58 PolarHBondContact O-N 3.08Å; S56-E58 WeakPolarHBondContact OG-CB 3.42Å; S56-E58 PolarHBondContact OG-N 3.33Å; S56-N59 PolarHBondContact O-N 2.75Å; S56-F60 PolarHBondContact O-N 3.15Å; S56-F60 VanDerWaalsContact O-N 3.07Å; S56-A129 PolarHBondContact N-O 3.45Å
57A91.7Very high89.6Confident73 Ų7377.7 Ų77.760%0.60341%0.406SS*.Hα-helixtrans-64.1-29.2172.400000111.8F60 Q61A57-F60 PolarHBondContact O-N 2.92Å; A57-Q61 WeakPolarHBondContact O-CG 3.41Å; A57-Q61 PolarHBondContact O-N 3.2Å
58E91.5Very high89.8Confident128 Ų12878.8 Ų78.860%0.59841%0.409SS*.Hα-helixtrans-67.5-48.1176-175.1-179.5174.400111S56 F60 Q61 N62S56-E58 PolarHBondContact O-N 3.08Å; S56-E58 WeakPolarHBondContact OG-CB 3.42Å; S56-E58 PolarHBondContact OG-N 3.33Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 3.3Å; E58-Q61 PolarHBondContact O-N 2.93Å; E58-N62 WeakPolarHBondContact O-CB 3.15Å; E58-N62 VanDerWaalsContact O-CG 3.24Å; E58-N62 PolarHBondContact O-N 3.4Å; E58-N62 PolarHBondContact O-ND2 3.25Å
59N92Very high89.9Confident9 Ų976.3 Ų76.35%0.04840%0.4CS..Hα-helixtrans-58.6-44174.4-78-5.1000111.2I53 S56 Q61 N62 N63 G128 A129 V130I53-N59 WeakPolarHBondContact CD1-ND2 3.45Å; I53-N59 WeakPolarHBondContact CG1-ND2 3.42Å; S56-N59 PolarHBondContact O-N 2.75Å; N59-Q61 VanDerWaalsContact C-N 3.34Å; N59-Q61 PolarHBondContact O-N 3.21Å; N59-N62 PolarHBondContact O-N 3.25Å; N59-N63 VanDerWaalsContact O-CB 3.31Å; N59-N63 WeakPolarHBondContact O-CB 3.35Å; N59-N63 VanDerWaalsContact O-CG 3.26Å; N59-N63 PolarHBondContact O-N 3.07Å; N59-N63 PolarHBondContact O-ND2 2.92Å; N59-N63 VanDerWaalsContact O-ND2 3.11Å; N59-G128 CarbonylContact C-O 3.58Å; N59-A129 WeakPolarHBondContact CB-O 3.27Å; N59-V130 PolarHBondContact ND2-O 2.88Å
60F92.9Very high90Very high85 Ų8579.8 Ų79.837%0.37341%0.412SS..Hα-helixtrans-60.2-42.5177.9-170.7-97.5000112.4S56 A57 E58 N63 F64 L125 G128 A129S56-F60 PolarHBondContact O-N 3.15Å; S56-F60 VanDerWaalsContact O-N 3.07Å; A57-F60 PolarHBondContact O-N 2.92Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 3.3Å; F60-N63 PolarHBondContact O-N 3.16Å; F60-F64 HydrophobicContact CE1-CD2 4.5Å; F60-F64 PolarHBondContact O-N 3.06Å; F60-L125 HydrophobicContact CE2-CD2 3.89Å; F60-L125 HydrophobicContact CZ-CD2 4.17Å; F60-G128 WeakPolarHBondContact CA-O 3.29Å; F60-G128 PolarHBondContact N-O 3.29Å; F60-A129 HydrophobicContact CB-CB 4.48Å; F60-A129 HydrophobicContact CD2-CB 4.22Å
61Q93.6Very high90Very high144 Ų14480.5 Ų80.567%0.67344%0.435SS*.Hα-helixtrans-67.6-42.7175.8-74.1-179.215.600112.3A57 E58 N59 N63 F64A57-Q61 WeakPolarHBondContact O-CG 3.41Å; A57-Q61 PolarHBondContact O-N 3.2Å; E58-Q61 PolarHBondContact O-N 2.93Å; N59-Q61 VanDerWaalsContact C-N 3.34Å; N59-Q61 PolarHBondContact O-N 3.21Å; Q61-N63 PolarHBondContact O-N 3.49Å; Q61-F64 WeakPolarHBondContact O-CB 3.34Å; Q61-F64 PolarHBondContact O-N 3.39Å
62N93.1Very high90.2Very high88 Ų8883.5 Ų83.547%0.47145%0.448SS..Hα-helixtrans-63-32.4177.8-71.6-20.1000112E58 N59E58-N62 WeakPolarHBondContact O-CB 3.15Å; E58-N62 VanDerWaalsContact O-CG 3.24Å; E58-N62 PolarHBondContact O-N 3.4Å; E58-N62 PolarHBondContact O-ND2 3.25Å; N59-N62 PolarHBondContact O-N 3.25Å
63N94.3Very high90.3Very high34 Ų3486.9 Ų86.918%0.18247%0.466CS..THydrogen-bonded Turntrans-89.8-3179.1-68.2-33.4000114.2N59 F60 Q61 K65 G128 G131 R133N59-N63 VanDerWaalsContact O-CB 3.31Å; N59-N63 WeakPolarHBondContact O-CB 3.35Å; N59-N63 VanDerWaalsContact O-CG 3.26Å; N59-N63 PolarHBondContact O-N 3.07Å; N59-N63 PolarHBondContact O-ND2 2.92Å; N59-N63 VanDerWaalsContact O-ND2 3.11Å; F60-N63 PolarHBondContact O-N 3.16Å; Q61-N63 PolarHBondContact O-N 3.49Å; N63-K65 PolarHBondContact O-N 3.3Å; N63-G128 PolarHBondContact ND2-O 2.83Å; N63-G131 PolarHBondContact ND2-O 2.88Å; N63-R133 WeakPolarHBondContact OD1-CA 2.87Å; N63-R133 WeakPolarHBondContact OD1-CB 3.03Å
64F93.1Very high90.8Very high161 Ų16189 Ų8971%0.70647%0.472SS*.SBendtrans-68.9-32.9-174.7-170.9-99.2000113.3F60 Q61F60-F64 HydrophobicContact CE1-CD2 4.5Å; F60-F64 PolarHBondContact O-N 3.06Å; Q61-F64 WeakPolarHBondContact O-CB 3.34Å; Q61-F64 PolarHBondContact O-N 3.39Å
65K92.3Very high91Very high163 Ų16391.3 Ų91.371%0.70948%0.48SS*.SBendtrans-89.7145.6178.5-69.6-177.2-178.21760110.7N63 R133N63-K65 PolarHBondContact O-N 3.3Å; K65-R133 PolarHBondContact O-NH2 2.99Å
66P93.3Very high90.8Very high89 Ų8987.3 Ų87.358%0.57846%0.46SS*.  trans-63.6141.9174.927.4-34.1000111.5Y68 R133P66-Y68 HydrophobicContact CB-CD2 4.23Å; P66-Y68 HydrophobicContact CB-CE1 4.35Å; P66-Y68 HydrophobicContact CB-CE2 3.6Å; P66-Y68 HydrophobicContact CG-CE2 4.15Å; P66-R133 PolarHBondContact O-NH2 2.83Å; P66-R133 VanDerWaalsContact O-NH2 3.13Å
67D92.3Very high90.8Very high85 Ų8589.3 Ų89.346%0.45547%0.471SS..  trans-122.1110.2159.7-1330.6000105.6R133 H137D67-R133 VanDerWaalsContact N-NH2 3.19Å; D67-R133 IonicContact OD1-CZ 2.63Å; D67-R133 IonicContact OD1-NH1 3.93Å; D67-R133 PolarHBondContact OD1-NH1 3.44Å; D67-R133 IonicContact OD2-CZ 2.66Å; D67-R133 IonicContact OD2-NE 2.71Å; D67-R133 IonicContact OD2-NH1 3.92Å; D67-R133 PolarHBondContact OD2-NH1 2.9Å; D67-R133 IonicContact OD2-NH2 3.2Å; D67-H137 WeakPolarHBondContact CB-NE2 3.3Å; D67-H137 PolarHBondContact O-CE1 3.42Å; D67-H137 VanDerWaalsContact O-CE1 3.3Å
68Y91.6Very high90.6Very high100 Ų10088.1 Ų88.139%0.39245%0.453SS..PPolyproline II helixtrans-95131.5174.1-59.5-67.2000108.7P66 E72 F74 V77P66-Y68 HydrophobicContact CB-CD2 4.23Å; P66-Y68 HydrophobicContact CB-CE1 4.35Å; P66-Y68 HydrophobicContact CB-CE2 3.6Å; P66-Y68 HydrophobicContact CG-CE2 4.15Å; Y68-E72 VanDerWaalsContact CB-O 3.27Å; Y68-E72 WeakPolarHBondContact CB-O 3.33Å; Y68-F74 WeakPolarHBondContact OH-CA 3.49Å; Y68-F74 WeakPolarHBondContact OH-CB 3.44Å; Y68-V77 HydrophobicContact CD1-CG2 4.05Å; Y68-V77 HydrophobicContact CE1-CG2 4.16Å
69G87Confident90.3Very high40 Ų4082 Ų8241%0.41242%0.424SS..PPolyproline II helixtrans-65.7171.8171.500000111.9G71 E72G69-G71 PolarHBondContact O-N 2.67Å; G69-E72 PolarHBondContact O-N 2.94Å
70E87.8Confident90.1Very high204 Ų20483.3 Ų83.395%0.95343%0.432SS*.THydrogen-bonded Turntrans-56.3123.3178.2-65.3-171.916800111.4E72E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 2.87Å
71G86Confident89.9Confident75 Ų7583.4 Ų83.477%0.77343%0.431SS*.THydrogen-bonded Turntrans82.7-2.7-179.700000115.6G69G69-G71 PolarHBondContact O-N 2.67Å
72E87.8Confident89.6Confident69 Ų6978.5 Ų78.532%0.32241%0.407SS..  trans-99.3149.6176.4-63-62.6158.700111.7Y68 G69 E70 T76 V77Y68-E72 VanDerWaalsContact CB-O 3.27Å; Y68-E72 WeakPolarHBondContact CB-O 3.33Å; G69-E72 PolarHBondContact O-N 2.94Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 2.87Å; E72-T76 WeakPolarHBondContact CA-OG1 3.23Å; E72-T76 WeakPolarHBondContact OE2-CB 3.23Å; E72-T76 PolarHBondContact OE2-OG1 3.11Å; E72-V77 HydrophobicContact CB-CG2 4.37Å
73N91.2Very high89.2Confident70 Ų7075.6 Ų75.637%0.37439%0.394SS..  trans-147179.7173.464.942000109.5F75 T76 V77N73-F75 VanDerWaalsContact C-N 3.25Å; N73-F75 PolarHBondContact O-N 3.46Å; N73-F75 WeakPolarHBondContact OD1-CA 3.5Å; N73-F75 WeakPolarHBondContact OD1-CB 3.27Å; N73-F75 PolarHBondContact OD1-N 3.26Å; N73-T76 PolarHBondContact N-OG1 2.89Å; N73-T76 PolarHBondContact O-N 3.26Å; N73-T76 PolarHBondContact O-OG1 3.4Å; N73-T76 PolarHBondContact OD1-N 3.14Å; N73-V77 WeakPolarHBondContact O-CG2 3.4Å; N73-V77 PolarHBondContact O-N 3.04Å; N73-V77 VanDerWaalsContact O-N 3.13Å
74F91.5Very high88.8Confident115 Ų11578.8 Ų78.850%0.50442%0.415SS..Hα-helixtrans-51.4-44.2179176-99000113.1Y68 F78Y68-F74 WeakPolarHBondContact OH-CA 3.49Å; Y68-F74 WeakPolarHBondContact OH-CB 3.44Å; F74-F78 WeakPolarHBondContact O-CB 3.23Å; F74-F78 PolarHBondContact O-N 3.11Å
75F88.1Confident88.4Confident59 Ų5973.4 Ų73.426%0.25939%0.391SS..Hα-helixtrans-75.9-34.7-174.5-61.7-72.9000113.1N73 G79 L305 F308N73-F75 VanDerWaalsContact C-N 3.25Å; N73-F75 PolarHBondContact O-N 3.46Å; N73-F75 WeakPolarHBondContact OD1-CA 3.5Å; N73-F75 WeakPolarHBondContact OD1-CB 3.27Å; N73-F75 PolarHBondContact OD1-N 3.26Å; F75-G79 PolarHBondContact O-N 2.59Å; F75-L305 HydrophobicContact CE1-CD2 4.49Å; F75-F308 HydrophobicContact CB-CB 4.12Å; F75-F308 HydrophobicContact CD1-CB 3.51Å; F75-F308 HydrophobicContact CD1-CG 4.09Å; F75-F308 HydrophobicContact CD2-CB 4.03Å; F75-F308 AromaticContact CD2-CD1 3.91Å; F75-F308 HydrophobicContact CD2-CD1 3.91Å; F75-F308 HydrophobicContact CD2-CG 4.2Å; F75-F308 HydrophobicContact CE1-CB 3.81Å; F75-F308 HydrophobicContact CE1-CD1 4.36Å; F75-F308 HydrophobicContact CE1-CD2 4.18Å; F75-F308 AromaticContact CE1-CG 3.88Å; F75-F308 HydrophobicContact CE1-CG 3.88Å; F75-F308 HydrophobicContact CE2-CB 4.3Å; F75-F308 AromaticContact CE2-CD1 3.64Å; F75-F308 HydrophobicContact CE2-CD1 3.64Å; F75-F308 HydrophobicContact CE2-CE1 4.12Å; F75-F308 HydrophobicContact CE2-CG 4.01Å; F75-F308 HydrophobicContact CG-CB 3.63Å; F75-F308 HydrophobicContact CG-CD1 4.39Å; F75-F308 HydrophobicContact CG-CG 4.24Å; F75-F308 HydrophobicContact CZ-CB 4.19Å; F75-F308 AromaticContact CZ-CD1 3.88Å; F75-F308 HydrophobicContact CZ-CD1 3.88Å; F75-F308 HydrophobicContact CZ-CD2 4.18Å; F75-F308 HydrophobicContact CZ-CE1 4.29Å; F75-F308 AromaticContact CZ-CG 3.84Å; F75-F308 HydrophobicContact CZ-CG 3.84Å
76T85.7Confident87.9Confident16 Ų1667 Ų6710%0.09837%0.365CS..Hα-helixtrans-69.3-42.7176.8590000111.1E72 N73 G79 V80E72-T76 WeakPolarHBondContact CA-OG1 3.23Å; E72-T76 WeakPolarHBondContact OE2-CB 3.23Å; E72-T76 PolarHBondContact OE2-OG1 3.11Å; N73-T76 PolarHBondContact N-OG1 2.89Å; N73-T76 PolarHBondContact O-N 3.26Å; N73-T76 PolarHBondContact O-OG1 3.4Å; N73-T76 PolarHBondContact OD1-N 3.14Å; T76-G79 PolarHBondContact O-N 3.5Å; T76-V80 PolarHBondContact O-N 3.02Å
77V89.1Confident87.2Confident68 Ų6865 Ų6541%0.41236%0.361SS..Hα-helixtrans-66-44.4174.31770000110.6Y68 E72 N73 G79 V80 Y81Y68-V77 HydrophobicContact CD1-CG2 4.05Å; Y68-V77 HydrophobicContact CE1-CG2 4.16Å; E72-V77 HydrophobicContact CB-CG2 4.37Å; N73-V77 WeakPolarHBondContact O-CG2 3.4Å; N73-V77 PolarHBondContact O-N 3.04Å; N73-V77 VanDerWaalsContact O-N 3.13Å; V77-G79 VanDerWaalsContact C-N 3.33Å; V77-G79 PolarHBondContact O-N 3.32Å; V77-V80 PolarHBondContact O-N 3.39Å; V77-Y81 PolarHBondContact O-N 3.06Å
78F88.8Confident86.7Confident49 Ų4964.2 Ų64.222%0.21536%0.356CS..Hα-helixtrans-58.3-43.6174.8174.8-93.7000111.8F74 V80 Y81 F82 L305 I309F74-F78 WeakPolarHBondContact O-CB 3.23Å; F74-F78 PolarHBondContact O-N 3.11Å; F78-V80 VanDerWaalsContact C-N 3.28Å; F78-V80 PolarHBondContact O-N 3.01Å; F78-Y81 PolarHBondContact O-N 3.42Å; F78-F82 HydrophobicContact CD1-CB 4.5Å; F78-F82 HydrophobicContact CE1-CB 4.13Å; F78-F82 AromaticContact CE1-CD2 4Å; F78-F82 HydrophobicContact CE1-CD2 4Å; F78-F82 HydrophobicContact CE1-CG 4.3Å; F78-F82 HydrophobicContact CE2-CD2 4.36Å; F78-F82 HydrophobicContact CZ-CB 4.25Å; F78-F82 AromaticContact CZ-CD2 3.58Å; F78-F82 HydrophobicContact CZ-CD2 3.58Å; F78-F82 HydrophobicContact CZ-CE2 4.39Å; F78-F82 HydrophobicContact CZ-CG 4.28Å; F78-F82 VanDerWaalsContact O-CB 3.23Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.95Å; F78-L305 HydrophobicContact CD1-CD2 4.18Å; F78-L305 HydrophobicContact CE1-CD1 3.89Å; F78-L305 HydrophobicContact CE1-CD2 3.77Å; F78-L305 HydrophobicContact CE1-CG 4.27Å; F78-L305 HydrophobicContact CZ-CD1 3.95Å; F78-L305 HydrophobicContact CZ-CD2 4.27Å; F78-I309 HydrophobicContact CD1-CD1 4.09Å; F78-I309 HydrophobicContact CD1-CG1 4.44Å; F78-I309 HydrophobicContact CE1-CD1 4.26Å
79G85.4Confident86Confident0 Ų060.9 Ų60.90%035%0.345CS..Hα-helixtrans-61.9-34.9179.300000113.4F75 T76 V77 T244F75-G79 PolarHBondContact O-N 2.59Å; T76-G79 PolarHBondContact O-N 3.5Å; V77-G79 VanDerWaalsContact C-N 3.33Å; V77-G79 PolarHBondContact O-N 3.32Å; G79-T244 PolarHBondContact O-OG1 3.05Å
80V87.1Confident85.6Confident35 Ų3560.4 Ų60.421%0.21234%0.335CS..Hα-helixtrans-71.4-47.5172.7177.20000110.4T76 V77 F78 F82 S83 N237 A240T76-V80 PolarHBondContact O-N 3.02Å; V77-V80 PolarHBondContact O-N 3.39Å; F78-V80 VanDerWaalsContact C-N 3.28Å; F78-V80 PolarHBondContact O-N 3.01Å; V80-F82 PolarHBondContact O-N 3.4Å; V80-S83 WeakPolarHBondContact O-CB 3.29Å; V80-S83 PolarHBondContact O-N 3.43Å; V80-S83 PolarHBondContact O-OG 2.86Å; V80-N237 HydrophobicContact CG2-CB 4.37Å; V80-A240 HydrophobicContact CG1-CB 4.49Å
81Y88.7Confident85.2Confident87 Ų8751.9 Ų51.934%0.34130%0.302SS..Hα-helixtrans-65.9-38.9-178.7-177.2-112.4000113.3V77 F78 S83 T84 F85 A120V77-Y81 PolarHBondContact O-N 3.06Å; F78-Y81 PolarHBondContact O-N 3.42Å; Y81-S83 PolarHBondContact O-N 3.21Å; Y81-S83 VanDerWaalsContact O-N 3.15Å; Y81-T84 WeakPolarHBondContact O-CB 3.16Å; Y81-T84 PolarHBondContact O-N 3.47Å; Y81-T84 PolarHBondContact O-OG1 2.69Å; Y81-F85 HydrophobicContact CD1-CE2 4.18Å; Y81-F85 AromaticContact CE1-CE2 3.59Å; Y81-F85 HydrophobicContact CE1-CE2 3.59Å; Y81-F85 HydrophobicContact CE1-CZ 4.24Å; Y81-F85 AromaticContact CZ-CE2 3.95Å; Y81-A120 WeakPolarHBondContact OH-CB 3.46Å
82F86.7Confident84.8Confident41 Ų4151.2 Ų51.218%0.1828%0.283CS..Hα-helixtrans-58.7-28.4178.8-174.4-85.6000112.3F78 V80 T84 F85 T86 T244 L248F78-F82 HydrophobicContact CD1-CB 4.5Å; F78-F82 HydrophobicContact CE1-CB 4.13Å; F78-F82 AromaticContact CE1-CD2 4Å; F78-F82 HydrophobicContact CE1-CD2 4Å; F78-F82 HydrophobicContact CE1-CG 4.3Å; F78-F82 HydrophobicContact CE2-CD2 4.36Å; F78-F82 HydrophobicContact CZ-CB 4.25Å; F78-F82 AromaticContact CZ-CD2 3.58Å; F78-F82 HydrophobicContact CZ-CD2 3.58Å; F78-F82 HydrophobicContact CZ-CE2 4.39Å; F78-F82 HydrophobicContact CZ-CG 4.28Å; F78-F82 VanDerWaalsContact O-CB 3.23Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.95Å; V80-F82 PolarHBondContact O-N 3.4Å; F82-T84 PolarHBondContact O-N 3.22Å; F82-F85 PolarHBondContact O-N 3.42Å; F82-T86 HydrophobicContact CD1-CG2 4.49Å; F82-T86 HydrophobicContact CE1-CG2 4.48Å; F82-T244 HydrophobicContact CB-CG2 4.27Å; F82-T244 HydrophobicContact CD1-CG2 3.23Å; F82-T244 HydrophobicContact CE1-CG2 3.82Å; F82-T244 HydrophobicContact CG-CG2 4Å; F82-L248 HydrophobicContact CD1-CG 4.44Å; F82-L248 HydrophobicContact CE1-CD1 4.44Å; F82-L248 HydrophobicContact CE1-CD2 3.73Å; F82-L248 HydrophobicContact CE1-CG 3.77Å; F82-L248 HydrophobicContact CE2-CD2 3.74Å; F82-L248 HydrophobicContact CZ-CD2 3.28Å; F82-L248 HydrophobicContact CZ-CG 3.87Å
83S85.7Confident84.4Confident27 Ų2750.8 Ų50.819%0.18928%0.283CS..G310 helixtrans-54.9-27.717674.40000112.5V80 Y81 F85 T86 T244V80-S83 WeakPolarHBondContact O-CB 3.29Å; V80-S83 PolarHBondContact O-N 3.43Å; V80-S83 PolarHBondContact O-OG 2.86Å; Y81-S83 PolarHBondContact O-N 3.21Å; Y81-S83 VanDerWaalsContact O-N 3.15Å; S83-F85 PolarHBondContact O-N 3.3Å; S83-T86 WeakPolarHBondContact O-CG2 3.34Å; S83-T86 PolarHBondContact O-N 3.47Å; S83-T86 PolarHBondContact O-OG1 2.94Å; S83-T244 PolarHBondContact N-OG1 3.06Å
84T86Confident83.6Confident101 Ų10149 Ų4962%0.6227%0.273SS*.G310 helixtrans-62.3-27175-44.20000113.2Y81 F82Y81-T84 WeakPolarHBondContact O-CB 3.16Å; Y81-T84 PolarHBondContact O-N 3.47Å; Y81-T84 PolarHBondContact O-OG1 2.69Å; F82-T84 PolarHBondContact O-N 3.22Å
85F84.8Confident82.9Confident49 Ų4945.7 Ų45.722%0.21526%0.264CS..G310 helixtrans-96.7-2.3-178-63.9-78.5000114.1Y81 F82 S83 G87 I88 L113 V117Y81-F85 HydrophobicContact CD1-CE2 4.18Å; Y81-F85 AromaticContact CE1-CE2 3.59Å; Y81-F85 HydrophobicContact CE1-CE2 3.59Å; Y81-F85 HydrophobicContact CE1-CZ 4.24Å; Y81-F85 AromaticContact CZ-CE2 3.95Å; F82-F85 PolarHBondContact O-N 3.42Å; S83-F85 PolarHBondContact O-N 3.3Å; F85-G87 PolarHBondContact O-N 3.15Å; F85-G87 VanDerWaalsContact O-N 3.08Å; F85-I88 PolarHBondContact O-N 3.35Å; F85-L113 HydrophobicContact CD1-CD1 3.94Å; F85-L113 HydrophobicContact CE1-CD1 4.26Å; F85-V117 HydrophobicContact CE1-CG2 3.86Å; F85-V117 HydrophobicContact CZ-CG2 4.41Å
86T81.1Confident82Confident27 Ų2746.5 Ų46.517%0.16629%0.289CS..G310 helixtrans-61.5-19.6-179.257.60000113.3F82 S83 I88 Y247F82-T86 HydrophobicContact CD1-CG2 4.49Å; F82-T86 HydrophobicContact CE1-CG2 4.48Å; S83-T86 WeakPolarHBondContact O-CG2 3.34Å; S83-T86 PolarHBondContact O-N 3.47Å; S83-T86 PolarHBondContact O-OG1 2.94Å; T86-I88 VanDerWaalsContact C-N 3.28Å; T86-I88 PolarHBondContact O-N 3.25Å; T86-Y247 HydrophobicContact CG2-CD2 3.61Å; T86-Y247 HydrophobicContact CG2-CE2 4.09Å; T86-Y247 HydrophobicContact CG2-CG 3.99Å; T86-Y247 WeakPolarHBondContact O-CD1 3.49Å; T86-Y247 WeakPolarHBondContact O-CE1 3.27Å
87G78.1Confident81.4Confident47 Ų4750 Ų5049%0.48531%0.307SS..G310 helixtrans-72.4-5.5177.300000116.5F85 L89 S90F85-G87 PolarHBondContact O-N 3.15Å; F85-G87 VanDerWaalsContact O-N 3.08Å; G87-L89 PolarHBondContact O-N 3.35Å; G87-S90 WeakPolarHBondContact O-CB 3.48Å; G87-S90 PolarHBondContact O-N 3.45Å
88I82.4Confident80.9Confident69 Ų6949.8 Ų49.835%0.35430%0.303SS..G310 helixtrans-65.4-2.7-173.2-156.3-173.1000115.5F85 T86 L113F85-I88 PolarHBondContact O-N 3.35Å; T86-I88 VanDerWaalsContact C-N 3.28Å; T86-I88 PolarHBondContact O-N 3.25Å; I88-L113 HydrophobicContact CD1-CB 4.28Å; I88-L113 HydrophobicContact CD1-CD1 3.92Å; I88-L113 HydrophobicContact CD1-CD2 3.84Å; I88-L113 HydrophobicContact CD1-CG 4.21Å; I88-L113 HydrophobicContact CG1-CD1 4.48Å
89L77.1Confident80.5Confident30 Ų3056.8 Ų56.816%0.15733%0.333CS..G310 helixtrans-111.410.8177-63.6175.8000112.4G87 G91 V92 N93 Y247 I250G87-L89 PolarHBondContact O-N 3.35Å; L89-G91 VanDerWaalsContact C-N 3.3Å; L89-G91 PolarHBondContact O-N 3.09Å; L89-V92 HydrophobicContact CD2-CG2 4.22Å; L89-V92 PolarHBondContact O-N 3.48Å; L89-N93 PolarHBondContact O-N 3.28Å; L89-N93 VanDerWaalsContact O-N 3.1Å; L89-N93 PolarHBondContact O-ND2 3.25Å; L89-N93 VanDerWaalsContact O-ND2 3.16Å; L89-Y247 HydrophobicContact CD1-CD1 4.35Å; L89-I250 HydrophobicContact CD1-CD1 3.18Å
90S78.7Confident80.4Confident30 Ų3060.8 Ų60.821%0.2136%0.355CS..Hα-helixtrans-64.3-34.9-177.5-164.90000112.4G87 N93 M94 N167G87-S90 WeakPolarHBondContact O-CB 3.48Å; G87-S90 PolarHBondContact O-N 3.45Å; S90-N93 PolarHBondContact O-N 3.32Å; S90-M94 PolarHBondContact O-N 2.89Å; S90-N167 PolarHBondContact OG-ND2 3.27Å
91G78.6Confident80Confident25 Ų2561.3 Ų61.326%0.25836%0.359SS..Hα-helixtrans-70.5-38.3177.100000112.6L89 N93 M94 S95 E109L89-G91 VanDerWaalsContact C-N 3.3Å; L89-G91 PolarHBondContact O-N 3.09Å; G91-N93 VanDerWaalsContact C-N 3.28Å; G91-N93 PolarHBondContact O-N 3.2Å; G91-M94 PolarHBondContact O-N 3.49Å; G91-S95 PolarHBondContact O-N 2.89Å; G91-E109 WeakPolarHBondContact CA-OE1 3.26Å; G91-E109 PolarHBondContact N-OE1 3.48Å
92V78.7Confident79.5Confident62 Ų6262 Ų6238%0.37637%0.372SS..Hα-helixtrans-60.4-40.9172.3-179.90000110.9L89 M94 S95 I105 E109L89-V92 HydrophobicContact CD2-CG2 4.22Å; L89-V92 PolarHBondContact O-N 3.48Å; V92-M94 PolarHBondContact O-N 3.48Å; V92-S95 WeakPolarHBondContact O-CB 3.28Å; V92-S95 PolarHBondContact O-N 3.47Å; V92-S95 VanDerWaalsContact O-N 3.11Å; V92-S95 PolarHBondContact O-OG 3.25Å; V92-I105 HydrophobicContact CG2-CG2 3.74Å; V92-E109 PolarHBondContact N-OE1 3.39Å
93N78.3Confident79.1Confident60 Ų6067.4 Ų67.432%0.32140%0.395SS..Hα-helixtrans-67.4-20.2-178.7-70-24.7000114.2L89 S90 G91 V171L89-N93 PolarHBondContact O-N 3.28Å; L89-N93 VanDerWaalsContact O-N 3.1Å; L89-N93 PolarHBondContact O-ND2 3.25Å; L89-N93 VanDerWaalsContact O-ND2 3.16Å; S90-N93 PolarHBondContact O-N 3.32Å; G91-N93 VanDerWaalsContact C-N 3.28Å; G91-N93 PolarHBondContact O-N 3.2Å; N93-V171 HydrophobicContact CB-CG1 3.4Å; N93-V171 VanDerWaalsContact CB-CG1 3.4Å; N93-V171 HydrophobicContact CB-CG2 4.48Å; N93-V171 WeakPolarHBondContact ND2-CG1 3.48Å
94M74.5Confident79.1Confident32 Ų3268.7 Ų68.716%0.15840%0.404CS..THydrogen-bonded Turntrans-106.815.7175.6-59.8-178.774.200112.3I21 S90 G91 V92 G96 D97 Y170 V171I21-M94 HydrophobicContact CD1-CE 4.07Å; I21-M94 HydrophobicContact CG1-CE 4.2Å; S90-M94 PolarHBondContact O-N 2.89Å; G91-M94 PolarHBondContact O-N 3.49Å; V92-M94 PolarHBondContact O-N 3.48Å; M94-G96 PolarHBondContact O-N 3.04Å; M94-G96 VanDerWaalsContact O-N 3.15Å; M94-D97 PolarHBondContact O-N 3.49Å; M94-Y170 HydrophobicContact CE-CE1 4.38Å; M94-V171 HydrophobicContact CG-CG2 4.47Å
95S77.6Confident79Confident46 Ų4665.5 Ų65.532%0.32238%0.383SS..G310 helixtrans-57.6-31.1-175.254.60000114.3G91 V92 D97 L98G91-S95 PolarHBondContact O-N 2.89Å; V92-S95 WeakPolarHBondContact O-CB 3.28Å; V92-S95 PolarHBondContact O-N 3.47Å; V92-S95 VanDerWaalsContact O-N 3.11Å; V92-S95 PolarHBondContact O-OG 3.25Å; S95-D97 PolarHBondContact O-N 2.93Å; S95-L98 PolarHBondContact O-N 3.48Å
96G69.7Low79Confident75 Ų7564.2 Ų64.277%0.77338%0.38SS*.G310 helixtrans-69.3-17.7175.800000114.7M94M94-G96 PolarHBondContact O-N 3.04Å; M94-G96 VanDerWaalsContact O-N 3.15Å
97D73.6Confident79.4Confident90 Ų9068.3 Ų68.348%0.48140%0.4SS..G310 helixtrans-98.6-3.5179.8-64.1-39.1000112.5M94 S95M94-D97 PolarHBondContact O-N 3.49Å; S95-D97 PolarHBondContact O-N 2.93Å
98L78.1Confident80Confident63 Ų6368.2 Ų68.233%0.3340%0.399SS..  trans-86.7142.1-179.6-65.2176.5000111.7S95 P101 I105S95-L98 PolarHBondContact O-N 3.48Å; L98-P101 HydrophobicContact CB-CB 4.2Å; L98-P101 HydrophobicContact CD1-CB 4.29Å; L98-I105 HydrophobicContact CD1-CD1 4.45Å; L98-I105 HydrophobicContact CD1-CG1 3.73Å
99K80.6Confident80.3Confident196 Ų19666.5 Ų66.585%0.85239%0.389SS*.SBendtrans-62.4-44.1173.8-176.1178.8176.4-179.20112.4
100D82.3Confident80.9Confident85 Ų8569.1 Ų69.146%0.45540%0.403SS..SBendtrans-136.871.8-177.3-72.6-52.1000111.2V102 K103 S104D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 3.06Å; D100-V102 VanDerWaalsContact O-N 3.16Å; D100-K103 PolarHBondContact O-N 3.33Å; D100-K103 VanDerWaalsContact O-N 3.09Å; D100-S104 WeakPolarHBondContact O-CB 3.34Å; D100-S104 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-OG 3.27Å
101P78.5Confident81.6Confident45 Ų4570.3 Ų70.329%0.29242%0.415SS..Hα-helixtrans-57.4-35.9-171.820.1-32000113.6L98 K103 S104 I105L98-P101 HydrophobicContact CB-CB 4.2Å; L98-P101 HydrophobicContact CD1-CB 4.29Å; P101-K103 PolarHBondContact O-N 2.94Å; P101-S104 PolarHBondContact O-N 3.11Å; P101-I105 HydrophobicContact CB-CD1 3.78Å; P101-I105 HydrophobicContact CB-CG1 4.35Å; P101-I105 VanDerWaalsContact O-CB 3.29Å; P101-I105 WeakPolarHBondContact O-CB 3.42Å; P101-I105 WeakPolarHBondContact O-CD1 3.37Å; P101-I105 WeakPolarHBondContact O-CG1 3.14Å; P101-I105 PolarHBondContact O-N 3.41Å
102V78Confident82.2Confident102 Ų10270.8 Ų70.862%0.61842%0.419SS*.Hα-helixtrans-59.7-33.6-179.7-179.70000112.5D100 P106D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 3.06Å; D100-V102 VanDerWaalsContact O-N 3.16Å; V102-P106 WeakPolarHBondContact O-CD 3.44Å; V102-P106 WeakPolarHBondContact O-CG 3.28Å
103K80Confident82.8Confident155 Ų15570.4 Ų70.467%0.67442%0.415SS*.Hα-helixtrans-94-43.4178.3-67.4-178.9-178.7175.20111.6D100 P101D100-K103 PolarHBondContact O-N 3.33Å; D100-K103 VanDerWaalsContact O-N 3.09Å; P101-K103 PolarHBondContact O-N 2.94Å
104S84.9Confident83.5Confident54 Ų5469.6 Ų69.638%0.37842%0.42SS..Hα-helixtrans-71.8-36.7-171.9-630000113.6D100 P101 G108D100-S104 WeakPolarHBondContact O-CB 3.34Å; D100-S104 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-OG 3.27Å; P101-S104 PolarHBondContact O-N 3.11Å; S104-G108 WeakPolarHBondContact O-CA 3.31Å; S104-G108 PolarHBondContact O-N 3.28Å
105I84.5Confident84.5Confident34 Ų3471.4 Ų71.417%0.17443%0.433CS..Hα-helixtrans-62.4-59.6-179.2-65.7167.8000111.9V92 L98 P101 L107 G108 E109V92-I105 HydrophobicContact CG2-CG2 3.74Å; L98-I105 HydrophobicContact CD1-CD1 4.45Å; L98-I105 HydrophobicContact CD1-CG1 3.73Å; P101-I105 HydrophobicContact CB-CD1 3.78Å; P101-I105 HydrophobicContact CB-CG1 4.35Å; P101-I105 VanDerWaalsContact O-CB 3.29Å; P101-I105 WeakPolarHBondContact O-CB 3.42Å; P101-I105 WeakPolarHBondContact O-CD1 3.37Å; P101-I105 WeakPolarHBondContact O-CG1 3.14Å; P101-I105 PolarHBondContact O-N 3.41Å; I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.3Å; I105-G108 PolarHBondContact O-N 3.45Å; I105-E109 HydrophobicContact CG2-CG 4.11Å; I105-E109 WeakPolarHBondContact O-CB 3.42Å; I105-E109 VanDerWaalsContact O-CG 3.28Å; I105-E109 WeakPolarHBondContact O-CG 3.38Å; I105-E109 PolarHBondContact O-N 3.4Å
106P84.6Confident85.2Confident22 Ų2272.2 Ų72.214%0.14344%0.439CS..Hα-helixtrans-62.8-36.4-175.824-34.4000112.3V102 L110 Y286V102-P106 WeakPolarHBondContact O-CD 3.44Å; V102-P106 WeakPolarHBondContact O-CG 3.28Å; P106-L110 VanDerWaalsContact O-CB 3.26Å; P106-L110 WeakPolarHBondContact O-CB 3.34Å; P106-L110 WeakPolarHBondContact O-CD1 3.47Å; P106-L110 VanDerWaalsContact O-CG 3.22Å; P106-L110 WeakPolarHBondContact O-CG 3.34Å; P106-L110 PolarHBondContact O-N 3.27Å; P106-Y286 HydrophobicContact CB-CD1 3.8Å; P106-Y286 HydrophobicContact CB-CE1 4.11Å; P106-Y286 HydrophobicContact CB-CG 4.18Å; P106-Y286 HydrophobicContact CG-CD1 3.77Å; P106-Y286 HydrophobicContact CG-CE1 3.63Å
107L87.9Confident86.3Confident113 Ų11371.5 Ų71.559%0.59242%0.419SS*.Hα-helixtrans-69.1-46.6177.7-173.268.2000111.7I105 A111I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.3Å; L107-A111 WeakPolarHBondContact O-CB 3.49Å; L107-A111 PolarHBondContact O-N 2.92Å
108G91.4Very high87.4Confident44 Ų4472.6 Ų72.645%0.45442%0.424SS..Hα-helixtrans-65.2-46.4-17900000112.6S104 I105 G112S104-G108 WeakPolarHBondContact O-CA 3.31Å; S104-G108 PolarHBondContact O-N 3.28Å; I105-G108 PolarHBondContact O-N 3.45Å; G108-G112 PolarHBondContact O-N 3.34Å
109E89.1Confident88.1Confident34 Ų3471.8 Ų71.816%0.15942%0.42CS..Hα-helixtrans-67.8-42.6-179.5-63.4-70.3-168.300111.7G91 V92 I105 L113G91-E109 WeakPolarHBondContact CA-OE1 3.26Å; G91-E109 PolarHBondContact N-OE1 3.48Å; V92-E109 PolarHBondContact N-OE1 3.39Å; I105-E109 HydrophobicContact CG2-CG 4.11Å; I105-E109 WeakPolarHBondContact O-CB 3.42Å; I105-E109 VanDerWaalsContact O-CG 3.28Å; I105-E109 WeakPolarHBondContact O-CG 3.38Å; I105-E109 PolarHBondContact O-N 3.4Å; E109-L113 VanDerWaalsContact O-CB 3.26Å; E109-L113 WeakPolarHBondContact O-CB 3.33Å; E109-L113 PolarHBondContact O-N 2.78Å
110L89.4Confident88.8Confident84 Ų8463.5 Ų63.544%0.4439%0.389SS..Hα-helixtrans-68.5-40.7177.8-71.6173.3000112.3P106 G114 W285P106-L110 VanDerWaalsContact O-CB 3.26Å; P106-L110 WeakPolarHBondContact O-CB 3.34Å; P106-L110 WeakPolarHBondContact O-CD1 3.47Å; P106-L110 VanDerWaalsContact O-CG 3.22Å; P106-L110 WeakPolarHBondContact O-CG 3.34Å; P106-L110 PolarHBondContact O-N 3.27Å; L110-G114 PolarHBondContact O-N 3.11Å; L110-W285 HydrophobicContact CD1-CH2 3.63Å; L110-W285 HydrophobicContact CD1-CZ2 3.71Å
111A92.6Very high89.4Confident56 Ų5663.6 Ų63.646%0.46339%0.389SS..Hα-helixtrans-66.2-44.2175.500000111.4L107 G114 V115L107-A111 WeakPolarHBondContact O-CB 3.49Å; L107-A111 PolarHBondContact O-N 2.92Å; A111-G114 PolarHBondContact O-N 3.27Å; A111-V115 WeakPolarHBondContact O-CG2 3.28Å; A111-V115 PolarHBondContact O-N 3.26Å
112G92.1Very high90.1Very high34 Ų3463.9 Ų63.935%0.35139%0.389SS..Hα-helixtrans-61.4-45.3176.500000112.4G108 S116G108-G112 PolarHBondContact O-N 3.34Å; G112-S116 WeakPolarHBondContact O-CB 3.32Å; G112-S116 PolarHBondContact O-N 2.93Å; G112-S116 PolarHBondContact O-OG 3.15Å
113L91.6Very high90.9Very high55 Ų5561.2 Ų61.229%0.28837%0.37SS..Hα-helixtrans-60.1-47.2173.3-179.865.9000111.1F85 I88 E109 V115 S116 V117F85-L113 HydrophobicContact CD1-CD1 3.94Å; F85-L113 HydrophobicContact CE1-CD1 4.26Å; I88-L113 HydrophobicContact CD1-CB 4.28Å; I88-L113 HydrophobicContact CD1-CD1 3.92Å; I88-L113 HydrophobicContact CD1-CD2 3.84Å; I88-L113 HydrophobicContact CD1-CG 4.21Å; I88-L113 HydrophobicContact CG1-CD1 4.48Å; E109-L113 VanDerWaalsContact O-CB 3.26Å; E109-L113 WeakPolarHBondContact O-CB 3.33Å; E109-L113 PolarHBondContact O-N 2.78Å; L113-V115 PolarHBondContact O-N 3.2Å; L113-S116 PolarHBondContact O-N 3.33Å; L113-V117 HydrophobicContact CD1-CG2 4.1Å; L113-V117 HydrophobicContact CG-CG2 4.35Å; L113-V117 WeakPolarHBondContact O-CG2 3.4Å; L113-V117 PolarHBondContact O-N 3.31Å
114G93.4Very high91.5Very high42 Ų4258 Ų5843%0.43336%0.359SS..Hα-helixtrans-59.6-47.6-179.500000112.8L110 A111 S116 V117 L118L110-G114 PolarHBondContact O-N 3.11Å; A111-G114 PolarHBondContact O-N 3.27Å; G114-S116 VanDerWaalsContact C-N 3.35Å; G114-S116 PolarHBondContact O-N 2.93Å; G114-V117 PolarHBondContact O-N 3.08Å; G114-L118 WeakPolarHBondContact O-CB 3.49Å; G114-L118 PolarHBondContact O-N 3.47Å
115V93.7Very high92Very high71 Ų7159.8 Ų59.843%0.4336%0.364SS..Hα-helixtrans-62.1-43.2175.4173.80000110.8A111 L113 L118 L119A111-V115 WeakPolarHBondContact O-CG2 3.28Å; A111-V115 PolarHBondContact O-N 3.26Å; L113-V115 PolarHBondContact O-N 3.2Å; V115-L118 PolarHBondContact O-N 3.45Å; V115-L119 HydrophobicContact CG1-CD1 3.81Å; V115-L119 HydrophobicContact CG1-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.26Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.32Å
116S92.7Very high92.4Very high63 Ų6359.4 Ų59.444%0.44136%0.364SS..Hα-helixtrans-63.4-44.2-179.8-57.20000112.3G112 L113 G114 L119 A120G112-S116 WeakPolarHBondContact O-CB 3.32Å; G112-S116 PolarHBondContact O-N 2.93Å; G112-S116 PolarHBondContact O-OG 3.15Å; L113-S116 PolarHBondContact O-N 3.33Å; G114-S116 VanDerWaalsContact C-N 3.35Å; G114-S116 PolarHBondContact O-N 2.93Å; S116-L119 PolarHBondContact O-N 2.92Å; S116-A120 WeakPolarHBondContact O-CB 3.13Å; S116-A120 PolarHBondContact O-N 3.4Å
117V94.1Very high92.8Very high59 Ų5959.7 Ų59.736%0.35836%0.364SS..Hα-helixtrans-64.5-43176.5171.20000110.9F85 L113 G114 A120 L121F85-V117 HydrophobicContact CE1-CG2 3.86Å; F85-V117 HydrophobicContact CZ-CG2 4.41Å; L113-V117 HydrophobicContact CD1-CG2 4.1Å; L113-V117 HydrophobicContact CG-CG2 4.35Å; L113-V117 WeakPolarHBondContact O-CG2 3.4Å; L113-V117 PolarHBondContact O-N 3.31Å; G114-V117 PolarHBondContact O-N 3.08Å; V117-A120 PolarHBondContact O-N 3.1Å; V117-L121 HydrophobicContact CG1-CD1 4.3Å; V117-L121 WeakPolarHBondContact O-CG 3.09Å; V117-L121 PolarHBondContact O-N 2.99Å
118L95.2Very high93.1Very high113 Ų11354.9 Ų54.959%0.59234%0.342SS*.Hα-helixtrans-60.5-48.3177.2179.966.9000111.4G114 V115 A120 L121 V122G114-L118 WeakPolarHBondContact O-CB 3.49Å; G114-L118 PolarHBondContact O-N 3.47Å; V115-L118 PolarHBondContact O-N 3.45Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.41Å; L118-L121 PolarHBondContact O-N 3.42Å; L118-V122 WeakPolarHBondContact O-CG2 3.25Å; L118-V122 PolarHBondContact O-N 2.91Å
119L94Very high93.2Very high46 Ų4653.3 Ų53.324%0.24133%0.325CS..Hα-helixtrans-61.8-43.1177.3-70.2173.8000111.4I35 V115 S116 L121 V122 F123I35-L119 HydrophobicContact CD1-CD1 3.86Å; I35-L119 HydrophobicContact CD1-CD2 4.29Å; I35-L119 HydrophobicContact CG2-CD2 3.89Å; V115-L119 HydrophobicContact CG1-CD1 3.81Å; V115-L119 HydrophobicContact CG1-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.26Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.32Å; S116-L119 PolarHBondContact O-N 2.92Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.99Å; L119-V122 WeakPolarHBondContact O-CB 3.4Å; L119-V122 PolarHBondContact O-N 3.16Å; L119-F123 WeakPolarHBondContact O-CD2 3.16Å; L119-F123 PolarHBondContact O-N 3.49Å
120A93.9Very high93.4Very high23 Ų2351.7 Ų51.719%0.1932%0.317CS..Hα-helixtrans-60.3-42.4176.400000112.1Y81 S116 V117 L118 V122 F123 I124Y81-A120 WeakPolarHBondContact OH-CB 3.46Å; S116-A120 WeakPolarHBondContact O-CB 3.13Å; S116-A120 PolarHBondContact O-N 3.4Å; V117-A120 PolarHBondContact O-N 3.1Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.41Å; A120-V122 VanDerWaalsContact C-N 3.35Å; A120-V122 PolarHBondContact O-N 3.14Å; A120-F123 PolarHBondContact O-N 2.95Å; A120-I124 WeakPolarHBondContact O-CB 3.37Å; A120-I124 WeakPolarHBondContact O-CD1 3.38Å; A120-I124 WeakPolarHBondContact O-CG1 3.38Å; A120-I124 PolarHBondContact O-N 3.11Å
121L95Very high93.5Very high87 Ų8747.7 Ų47.746%0.45530%0.296SS..Hα-helixtrans-62.3-40.7174.9-72.1175000112.1V117 L118 L119 I124 L125V117-L121 HydrophobicContact CG1-CD1 4.3Å; V117-L121 WeakPolarHBondContact O-CG 3.09Å; V117-L121 PolarHBondContact O-N 2.99Å; L118-L121 PolarHBondContact O-N 3.42Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 2.99Å; L121-I124 PolarHBondContact O-N 2.82Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CG 3.1Å; L121-L125 PolarHBondContact O-N 3.27Å
122V94.2Very high93.5Very high50 Ų5048.5 Ų48.530%0.30329%0.291SS..Hα-helixtrans-58.8-49.6174.81710000110.5V39 L118 L119 A120 S126V39-V122 HydrophobicContact CG2-CG1 3.85Å; L118-V122 WeakPolarHBondContact O-CG2 3.25Å; L118-V122 PolarHBondContact O-N 2.91Å; L119-V122 WeakPolarHBondContact O-CB 3.4Å; L119-V122 PolarHBondContact O-N 3.16Å; A120-V122 VanDerWaalsContact C-N 3.35Å; A120-V122 PolarHBondContact O-N 3.14Å; V122-S126 WeakPolarHBondContact O-CB 3.4Å; V122-S126 PolarHBondContact O-N 3.28Å; V122-S126 PolarHBondContact O-OG 2.86Å
123F93.6Very high93.4Very high47 Ų4750.3 Ų50.321%0.20629%0.287CS..Hα-helixtrans-60.2-49.8177-87.7-99.9000112.4I35 F38 L119 A120 S126 L127 V143 L153I35-F123 HydrophobicContact CG1-CE2 4.26Å; I35-F123 HydrophobicContact CG2-CE2 4.29Å; F38-F123 HydrophobicContact CB-CE1 4.08Å; F38-F123 HydrophobicContact CB-CZ 3.9Å; F38-F123 AromaticContact CD1-CD1 3.75Å; F38-F123 HydrophobicContact CD1-CD1 3.75Å; F38-F123 HydrophobicContact CD1-CD2 4.07Å; F38-F123 AromaticContact CD1-CE1 3.44Å; F38-F123 HydrophobicContact CD1-CE1 3.44Å; F38-F123 VanDerWaalsContact CD1-CE1 3.44Å; F38-F123 AromaticContact CD1-CE2 3.8Å; F38-F123 HydrophobicContact CD1-CE2 3.8Å; F38-F123 HydrophobicContact CD1-CG 4.07Å; F38-F123 AromaticContact CD1-CZ 3.47Å; F38-F123 HydrophobicContact CD1-CZ 3.47Å; F38-F123 VanDerWaalsContact CD1-CZ 3.47Å; F38-F123 HydrophobicContact CD2-CD1 4.16Å; F38-F123 AromaticContact CD2-CE1 3.7Å; F38-F123 HydrophobicContact CD2-CE1 3.7Å; F38-F123 HydrophobicContact CD2-CZ 4.35Å; F38-F123 HydrophobicContact CE1-CB 4.31Å; F38-F123 AromaticContact CE1-CD1 3.53Å; F38-F123 HydrophobicContact CE1-CD1 3.53Å; F38-F123 HydrophobicContact CE1-CD2 4.05Å; F38-F123 AromaticContact CE1-CE1 3.75Å; F38-F123 HydrophobicContact CE1-CE1 3.75Å; F38-F123 HydrophobicContact CE1-CE2 4.25Å; F38-F123 AromaticContact CE1-CG 3.7Å; F38-F123 HydrophobicContact CE1-CG 3.7Å; F38-F123 HydrophobicContact CE1-CZ 4.11Å; F38-F123 AromaticContact CE2-CD1 3.95Å; F38-F123 HydrophobicContact CE2-CD1 3.95Å; F38-F123 AromaticContact CE2-CE1 3.97Å; F38-F123 HydrophobicContact CE2-CE1 3.97Å; F38-F123 HydrophobicContact CG-CD1 4.07Å; F38-F123 AromaticContact CG-CE1 3.42Å; F38-F123 HydrophobicContact CG-CE1 3.42Å; F38-F123 VanDerWaalsContact CG-CE1 3.42Å; F38-F123 HydrophobicContact CG-CE2 4.39Å; F38-F123 AromaticContact CG-CZ 3.61Å; F38-F123 HydrophobicContact CG-CZ 3.61Å; F38-F123 AromaticContact CZ-CD1 3.63Å; F38-F123 HydrophobicContact CZ-CD1 3.63Å; F38-F123 AromaticContact CZ-CE1 4Å; F38-F123 HydrophobicContact CZ-CE1 4Å; F38-F123 HydrophobicContact CZ-CG 4.13Å; L119-F123 WeakPolarHBondContact O-CD2 3.16Å; L119-F123 PolarHBondContact O-N 3.49Å; A120-F123 PolarHBondContact O-N 2.95Å; F123-S126 PolarHBondContact O-N 2.94Å; F123-L127 WeakPolarHBondContact O-CB 3.17Å; F123-L127 WeakPolarHBondContact O-CG 3.29Å; F123-L127 PolarHBondContact O-N 3.4Å; F123-V143 HydrophobicContact CD1-CG1 4.1Å; F123-V143 HydrophobicContact CE1-CG1 3.96Å; F123-L153 HydrophobicContact CZ-CD1 4.48Å
124I93.9Very high93.4Very high88 Ų8851 Ų5145%0.45130%0.296SS..Hα-helixtrans-61.9-48-176.8-67.4167.1000111.1A120 L121 G128A120-I124 WeakPolarHBondContact O-CB 3.37Å; A120-I124 WeakPolarHBondContact O-CD1 3.38Å; A120-I124 WeakPolarHBondContact O-CG1 3.38Å; A120-I124 PolarHBondContact O-N 3.11Å; L121-I124 PolarHBondContact O-N 2.82Å; I124-G128 PolarHBondContact O-N 2.89Å
125L94Very high93.3Very high91 Ų9149.6 Ų49.648%0.47628%0.281SS..Hα-helixtrans-69.2-41-178.6-65174.1000111.7F60 L121 A129F60-L125 HydrophobicContact CE2-CD2 3.89Å; F60-L125 HydrophobicContact CZ-CD2 4.17Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CG 3.1Å; L121-L125 PolarHBondContact O-N 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.35Å; L125-A129 PolarHBondContact O-N 3.37Å
126S93.4Very high93.2Very high26 Ų2649 Ų4918%0.18228%0.275CS..Hα-helixtrans-63.5-46.6176.3-70.30000112V122 F123 A129 V130V122-S126 WeakPolarHBondContact O-CB 3.4Å; V122-S126 PolarHBondContact O-N 3.28Å; V122-S126 PolarHBondContact O-OG 2.86Å; F123-S126 PolarHBondContact O-N 2.94Å; S126-A129 PolarHBondContact O-N 3.31Å; S126-V130 WeakPolarHBondContact O-CB 3.32Å; S126-V130 VanDerWaalsContact O-CG2 3.26Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3.35Å
127L93.8Very high93Very high27 Ų2750.6 Ų50.614%0.14128%0.275CS..Hα-helixtrans-64.4-42.5178.7-69.5172.9000111.8F38 F123 A129 V130 G131 L136 F142 V143 V146F38-L127 HydrophobicContact CE2-CD2 3.86Å; F38-L127 HydrophobicContact CE2-CG 4.28Å; F38-L127 HydrophobicContact CZ-CD2 4.06Å; F38-L127 HydrophobicContact CZ-CG 4.01Å; F123-L127 WeakPolarHBondContact O-CB 3.17Å; F123-L127 WeakPolarHBondContact O-CG 3.29Å; F123-L127 PolarHBondContact O-N 3.4Å; L127-A129 VanDerWaalsContact C-N 3.27Å; L127-A129 PolarHBondContact O-N 3.47Å; L127-V130 PolarHBondContact O-N 3.38Å; L127-G131 PolarHBondContact O-N 3.4Å; L127-L136 HydrophobicContact CB-CD2 4.25Å; L127-F142 HydrophobicContact CD2-CD1 3.91Å; L127-F142 HydrophobicContact CD2-CE1 3.92Å; L127-V143 HydrophobicContact CD1-CG1 4.43Å; L127-V143 HydrophobicContact CD1-CG2 3.79Å; L127-V143 HydrophobicContact CD2-CB 4.5Å; L127-V143 HydrophobicContact CD2-CG1 4.39Å; L127-V143 HydrophobicContact CD2-CG2 4.18Å; L127-V146 HydrophobicContact CD2-CG2 4.08Å
128G93.6Very high92.8Very high13 Ų1354.3 Ų54.313%0.13429%0.293CS..Hα-helixtrans-64.8-27.5176.800000113.9N59 F60 N63 I124N59-G128 CarbonylContact C-O 3.58Å; F60-G128 WeakPolarHBondContact CA-O 3.29Å; F60-G128 PolarHBondContact N-O 3.29Å; N63-G128 PolarHBondContact ND2-O 2.83Å; I124-G128 PolarHBondContact O-N 2.89Å
129A93.2Very high92.6Very high11 Ų1150.5 Ų50.59%0.09127%0.273CS..Hα-helixtrans-87.6-31.2177.200000113.7I55 S56 N59 F60 L125 S126 L127I55-A129 HydrophobicContact CG2-CB 4.12Å; S56-A129 PolarHBondContact N-O 3.45Å; N59-A129 WeakPolarHBondContact CB-O 3.27Å; F60-A129 HydrophobicContact CB-CB 4.48Å; F60-A129 HydrophobicContact CD2-CB 4.22Å; L125-A129 WeakPolarHBondContact O-CB 3.35Å; L125-A129 PolarHBondContact O-N 3.37Å; S126-A129 PolarHBondContact O-N 3.31Å; L127-A129 VanDerWaalsContact C-N 3.27Å; L127-A129 PolarHBondContact O-N 3.47Å
130V93.1Very high92.3Very high0 Ų056 Ų560%030%0.301CS..Hα-helixtrans-88.3-39.7-175.8173.80000112.4A42 M52 I55 N59 S126 L127 V146A42-V130 HydrophobicContact CB-CG2 4.37Å; A42-V130 WeakPolarHBondContact O-CG2 3.45Å; M52-V130 HydrophobicContact CB-CG1 4.2Å; M52-V130 HydrophobicContact CG-CG1 4.16Å; I55-V130 HydrophobicContact CG1-CG2 3.83Å; N59-V130 PolarHBondContact ND2-O 2.88Å; S126-V130 WeakPolarHBondContact O-CB 3.32Å; S126-V130 VanDerWaalsContact O-CG2 3.26Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3.35Å; L127-V130 PolarHBondContact O-N 3.38Å; V130-V146 HydrophobicContact CG1-CG1 4.4Å; V130-V146 HydrophobicContact CG1-CG2 4.24Å
131G91.7Very high92.1Very high0 Ų059.1 Ų59.10%032%0.315CS..BIsolated β-bridgetrans-93.9136.3-169.600000115.1N63 L127N63-G131 PolarHBondContact ND2-O 2.88Å; L127-G131 PolarHBondContact O-N 3.4Å
132E92.7Very high92Very high73 Ų7355.2 Ų55.234%0.34129%0.294SS..  trans-62.5143.9161.7-71.2-179.9-174.400110.8G51 S134 A135 L136G51-E132 PolarHBondContact O-N 3.14Å; E132-S134 VanDerWaalsContact C-N 3.28Å; E132-S134 PolarHBondContact O-N 3.33Å; E132-A135 WeakPolarHBondContact O-CB 3.24Å; E132-A135 PolarHBondContact O-N 2.81Å; E132-L136 PolarHBondContact O-N 2.92Å; E132-L136 VanDerWaalsContact O-N 3.11Å
133R90.9Very high91.9Very high72 Ų7254.9 Ų54.927%0.27229%0.292SS..Hα-helixtrans-56-41.7-176-160.5-179.8-150.3-157.410.4112.7N63 K65 P66 D67 A135 L136 H137N63-R133 WeakPolarHBondContact OD1-CA 2.87Å; N63-R133 WeakPolarHBondContact OD1-CB 3.03Å; K65-R133 PolarHBondContact O-NH2 2.99Å; P66-R133 PolarHBondContact O-NH2 2.83Å; P66-R133 VanDerWaalsContact O-NH2 3.13Å; D67-R133 VanDerWaalsContact N-NH2 3.19Å; D67-R133 IonicContact OD1-CZ 2.63Å; D67-R133 IonicContact OD1-NH1 3.93Å; D67-R133 PolarHBondContact OD1-NH1 3.44Å; D67-R133 IonicContact OD2-CZ 2.66Å; D67-R133 IonicContact OD2-NE 2.71Å; D67-R133 IonicContact OD2-NH1 3.92Å; D67-R133 PolarHBondContact OD2-NH1 2.9Å; D67-R133 IonicContact OD2-NH2 3.2Å; R133-A135 VanDerWaalsContact C-N 3.32Å; R133-A135 PolarHBondContact O-N 2.88Å; R133-L136 PolarHBondContact O-N 3.34Å; R133-H137 PolarHBondContact O-CD2 2.72Å; R133-H137 VanDerWaalsContact O-CD2 3.23Å; R133-H137 PolarHBondContact O-N 3.5Å; R133-H137 VanDerWaalsContact O-N 3.08Å
134S90.4Very high91.8Very high68 Ų6855.4 Ų55.448%0.47630%0.295SS..Hα-helixtrans-61.4-38.6178.256.20000112.6E132 N138E132-S134 VanDerWaalsContact C-N 3.28Å; E132-S134 PolarHBondContact O-N 3.33Å; S134-N138 WeakPolarHBondContact O-CB 3.47Å; S134-N138 PolarHBondContact O-N 3.14Å; S134-N138 VanDerWaalsContact O-N 3.15Å; S134-N138 PolarHBondContact O-ND2 3.38Å
135A91.8Very high91.7Very high14 Ų1454.6 Ų54.612%0.11629%0.288CS..Hα-helixtrans-70.2-41.8177.900000111.2E132 R133 H137 N138 D139 F142E132-A135 WeakPolarHBondContact O-CB 3.24Å; E132-A135 PolarHBondContact O-N 2.81Å; R133-A135 VanDerWaalsContact C-N 3.32Å; R133-A135 PolarHBondContact O-N 2.88Å; A135-H137 VanDerWaalsContact C-N 3.29Å; A135-H137 PolarHBondContact O-N 3.28Å; A135-N138 PolarHBondContact O-N 2.89Å; A135-D139 WeakPolarHBondContact O-CB 3.29Å; A135-D139 PolarHBondContact O-N 3.02Å; A135-F142 HydrophobicContact CB-CD2 3.76Å; A135-F142 HydrophobicContact CB-CE2 3.63Å
136L91.5Very high91.6Very high59 Ų5950.2 Ų50.231%0.30927%0.265SS..Hα-helixtrans-61.7-34.7175.8-69.1171.4000112.9L127 E132 R133 F142L127-L136 HydrophobicContact CB-CD2 4.25Å; E132-L136 PolarHBondContact O-N 2.92Å; E132-L136 VanDerWaalsContact O-N 3.11Å; R133-L136 PolarHBondContact O-N 3.34Å; L136-F142 HydrophobicContact CD2-CD1 3.5Å; L136-F142 VanDerWaalsContact CD2-CD1 3.5Å; L136-F142 HydrophobicContact CD2-CE1 3.54Å; L136-F142 HydrophobicContact CD2-CG 4.29Å; L136-F142 HydrophobicContact CD2-CZ 4.37Å; L136-F142 HydrophobicContact CG-CE1 4.38Å
137H89.3Confident91.6Very high95 Ų9549 Ų4944%0.4426%0.257SS..Hα-helixtrans-77-41.2179.4-89.7-97.2000113.8D67 R133 A135D67-H137 WeakPolarHBondContact CB-NE2 3.3Å; D67-H137 PolarHBondContact O-CE1 3.42Å; D67-H137 VanDerWaalsContact O-CE1 3.3Å; R133-H137 PolarHBondContact O-CD2 2.72Å; R133-H137 VanDerWaalsContact O-CD2 3.23Å; R133-H137 PolarHBondContact O-N 3.5Å; R133-H137 VanDerWaalsContact O-N 3.08Å; A135-H137 VanDerWaalsContact C-N 3.29Å; A135-H137 PolarHBondContact O-N 3.28Å
138N88.8Confident91.5Very high137 Ų13752.2 Ų52.273%0.73327%0.274SS*.Hα-helixtrans-100.1-17.9-166.2-63.7-56.2000113.6S134 A135S134-N138 WeakPolarHBondContact O-CB 3.47Å; S134-N138 PolarHBondContact O-N 3.14Å; S134-N138 VanDerWaalsContact O-N 3.15Å; S134-N138 PolarHBondContact O-ND2 3.38Å; A135-N138 PolarHBondContact O-N 2.89Å
139D91.2Very high91.3Very high33 Ų3355.4 Ų55.418%0.17629%0.291CS..  trans-113.9100.6-175.4-170.51.3000112.8A135 N141 F142 K145A135-D139 WeakPolarHBondContact O-CB 3.29Å; A135-D139 PolarHBondContact O-N 3.02Å; D139-N141 PolarHBondContact O-N 3.16Å; D139-N141 WeakPolarHBondContact OD1-CA 3.42Å; D139-N141 PolarHBondContact OD1-N 3.25Å; D139-F142 HydrophobicContact CB-CB 4.15Å; D139-F142 WeakPolarHBondContact O-CB 3.32Å; D139-F142 PolarHBondContact O-N 2.96Å; D139-F142 PolarHBondContact OD1-N 3.47Å; D139-K145 VanDerWaalsContact OD2-CD 3.25Å; D139-K145 WeakPolarHBondContact OD2-CD 3.31Å; D139-K145 WeakPolarHBondContact OD2-CE 3.45Å; D139-K145 IonicContact OD2-NZ 3.78Å; D139-K145 PolarHBondContact OD2-NZ 3.02Å
140I88.5Confident91Very high161 Ų16155.2 Ų55.283%0.82629%0.29SS*.THydrogen-bonded Turntrans-60.7-27.1175.9-60.3172000111.5F142I140-F142 VanDerWaalsContact C-N 3.32Å
141N90.4Very high91Very high90 Ų9062.7 Ų62.748%0.48133%0.327SS..THydrogen-bonded Turntrans-92.910.5179.7-58.9-55.1000112.5D139 V143 Q144 K145D139-N141 PolarHBondContact O-N 3.16Å; D139-N141 WeakPolarHBondContact OD1-CA 3.42Å; D139-N141 PolarHBondContact OD1-N 3.25Å; N141-V143 VanDerWaalsContact C-N 3.28Å; N141-V143 PolarHBondContact O-N 3.09Å; N141-Q144 WeakPolarHBondContact O-CA 3.48Å; N141-Q144 VanDerWaalsContact O-CB 3.3Å; N141-Q144 WeakPolarHBondContact O-CB 3.08Å; N141-Q144 PolarHBondContact O-N 3.48Å; N141-K145 PolarHBondContact O-N 2.89Å; N141-K145 VanDerWaalsContact O-N 3.12Å
142F92.2Very high91Very high4 Ų465.2 Ų65.22%0.01834%0.34CS..Hα-helixtrans-54.9-43.8-178-174.8-96.9000112.3M52 L127 A135 L136 D139 I140 Q144 K145 V146M52-F142 HydrophobicContact CG-CE2 3.57Å; M52-F142 HydrophobicContact CG-CZ 3.56Å; M52-F142 HydrophobicContact SD-CE2 4.22Å; M52-F142 HydrophobicContact SD-CZ 4.26Å; L127-F142 HydrophobicContact CD2-CD1 3.91Å; L127-F142 HydrophobicContact CD2-CE1 3.92Å; A135-F142 HydrophobicContact CB-CD2 3.76Å; A135-F142 HydrophobicContact CB-CE2 3.63Å; L136-F142 HydrophobicContact CD2-CD1 3.5Å; L136-F142 VanDerWaalsContact CD2-CD1 3.5Å; L136-F142 HydrophobicContact CD2-CE1 3.54Å; L136-F142 HydrophobicContact CD2-CG 4.29Å; L136-F142 HydrophobicContact CD2-CZ 4.37Å; L136-F142 HydrophobicContact CG-CE1 4.38Å; D139-F142 HydrophobicContact CB-CB 4.15Å; D139-F142 WeakPolarHBondContact O-CB 3.32Å; D139-F142 PolarHBondContact O-N 2.96Å; D139-F142 PolarHBondContact OD1-N 3.47Å; I140-F142 VanDerWaalsContact C-N 3.32Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 2.87Å; F142-K145 WeakPolarHBondContact O-CB 3.34Å; F142-K145 PolarHBondContact O-N 3.43Å; F142-V146 HydrophobicContact CD1-CG2 3.92Å; F142-V146 HydrophobicContact CE1-CG2 3.44Å; F142-V146 VanDerWaalsContact CE1-CG2 3.44Å; F142-V146 HydrophobicContact CZ-CG2 3.77Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 3.09Å
143V91.9Very high91.1Very high43 Ų4362.1 Ų62.126%0.26133%0.326SS..Hα-helixtrans-59.5-37.5178.6-166.80000111.6F38 F123 L127 N141 S147 L153F38-V143 HydrophobicContact CD2-CG1 3.93Å; F38-V143 HydrophobicContact CE2-CG1 3.79Å; F123-V143 HydrophobicContact CD1-CG1 4.1Å; F123-V143 HydrophobicContact CE1-CG1 3.96Å; L127-V143 HydrophobicContact CD1-CG1 4.43Å; L127-V143 HydrophobicContact CD1-CG2 3.79Å; L127-V143 HydrophobicContact CD2-CB 4.5Å; L127-V143 HydrophobicContact CD2-CG1 4.39Å; L127-V143 HydrophobicContact CD2-CG2 4.18Å; N141-V143 VanDerWaalsContact C-N 3.28Å; N141-V143 PolarHBondContact O-N 3.09Å; V143-S147 PolarHBondContact O-N 2.95Å; V143-L153 HydrophobicContact CG1-CD2 3.83Å; V143-L153 VanDerWaalsContact O-CD2 3.29Å; V143-L153 WeakPolarHBondContact O-CD2 3.42Å
144Q92.6Very high91.1Very high58 Ų5861.2 Ų61.227%0.27133%0.326SS..Hα-helixtrans-65-40.7174.3-175.1-171.8-2900111.6N141 F142 V146 S147 G150 L154N141-Q144 WeakPolarHBondContact O-CA 3.48Å; N141-Q144 VanDerWaalsContact O-CB 3.3Å; N141-Q144 WeakPolarHBondContact O-CB 3.08Å; N141-Q144 PolarHBondContact O-N 3.48Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 2.87Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.3Å; Q144-S147 PolarHBondContact O-N 3.42Å; Q144-S147 PolarHBondContact O-OG 3.34Å; Q144-G150 WeakPolarHBondContact CG-O 3.43Å; Q144-L154 HydrophobicContact CG-CB 4.4Å
145K91.1Very high91.2Very high71 Ų7159 Ų5931%0.30931%0.314SS..Hα-helixtrans-69.6-29.5-178.5-67.2177.2174.7179.40113.5M52 D139 N141 F142M52-K145 HydrophobicContact CE-CB 3.6Å; M52-K145 HydrophobicContact SD-CB 4.22Å; D139-K145 VanDerWaalsContact OD2-CD 3.25Å; D139-K145 WeakPolarHBondContact OD2-CD 3.31Å; D139-K145 WeakPolarHBondContact OD2-CE 3.45Å; D139-K145 IonicContact OD2-NZ 3.78Å; D139-K145 PolarHBondContact OD2-NZ 3.02Å; N141-K145 PolarHBondContact O-N 2.89Å; N141-K145 VanDerWaalsContact O-N 3.12Å; F142-K145 WeakPolarHBondContact O-CB 3.34Å; F142-K145 PolarHBondContact O-N 3.43Å
146V92.4Very high91.3Very high0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-69.9-35.3174.7173.80000111.7F38 G41 A42 T45 M52 L127 V130 F142 Q144F38-V146 HydrophobicContact CD2-CG1 4.33Å; F38-V146 HydrophobicContact CE2-CB 4.27Å; F38-V146 HydrophobicContact CE2-CG1 3.83Å; G41-V146 CarbonylContact C-O 3.58Å; G41-V146 WeakPolarHBondContact CA-O 3.42Å; A42-V146 HydrophobicContact CB-CG1 3.83Å; T45-V146 PolarHBondContact OG1-O 3.06Å; M52-V146 HydrophobicContact CG-CG2 4.27Å; M52-V146 HydrophobicContact SD-CB 4.2Å; M52-V146 HydrophobicContact SD-CG2 3.48Å; M52-V146 WeakPolarHBondContact SD-CG2 3.43Å; L127-V146 HydrophobicContact CD2-CG2 4.08Å; V130-V146 HydrophobicContact CG1-CG1 4.4Å; V130-V146 HydrophobicContact CG1-CG2 4.24Å; F142-V146 HydrophobicContact CD1-CG2 3.92Å; F142-V146 HydrophobicContact CE1-CG2 3.44Å; F142-V146 VanDerWaalsContact CE1-CG2 3.44Å; F142-V146 HydrophobicContact CZ-CG2 3.77Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 3.09Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.3Å
147S92.7Very high91.3Very high1 Ų159.5 Ų59.51%0.00731%0.314CS..SBendtrans-65.7150.7-178.670.90000113D37 V143 Q144 T149 G150D37-S147 WeakPolarHBondContact OD2-CB 3.5Å; V143-S147 PolarHBondContact O-N 2.95Å; Q144-S147 PolarHBondContact O-N 3.42Å; Q144-S147 PolarHBondContact O-OG 3.34Å; S147-T149 PolarHBondContact O-N 2.78Å; S147-G150 WeakPolarHBondContact OG-CA 3.27Å; S147-G150 PolarHBondContact OG-N 3.48Å; S147-G150 VanDerWaalsContact OG-N 3.15Å
148L91.2Very high91.4Very high93 Ų9362 Ų6249%0.48732%0.321SS..SBendtrans-60-50-170.617768.8000112D37 I40D37-L148 PolarHBondContact O-N 3.1Å; D37-L148 VanDerWaalsContact O-N 3.07Å; I40-L148 HydrophobicContact CG2-CD2 4.02Å
149T90.1Very high91.4Very high80 Ų8056.9 Ų56.949%0.49130%0.295SS..SBendtrans-98.8-22.1179.760.20000113.3D37 S147 M151 L152D37-T149 VanDerWaalsContact CG-OG1 3.28Å; D37-T149 WeakPolarHBondContact OD1-CB 3.2Å; D37-T149 WeakPolarHBondContact OD1-CG2 3.46Å; D37-T149 PolarHBondContact OD1-N 3.38Å; D37-T149 PolarHBondContact OD1-OG1 2.88Å; D37-T149 PolarHBondContact OD2-OG1 2.96Å; S147-T149 PolarHBondContact O-N 2.78Å; T149-M151 PolarHBondContact O-N 3.37Å; T149-L152 WeakPolarHBondContact OG1-CB 3.44Å; T149-L152 PolarHBondContact OG1-N 2.93Å
150G87.7Confident91.3Very high8 Ų857.9 Ų57.98%0.08230%0.304CS..SBendtrans74.3-50.8-170.800000112.8Q144 S147 L154Q144-G150 WeakPolarHBondContact CG-O 3.43Å; S147-G150 WeakPolarHBondContact OG-CA 3.27Å; S147-G150 PolarHBondContact OG-N 3.48Å; S147-G150 VanDerWaalsContact OG-N 3.15Å; G150-L154 VanDerWaalsContact O-CB 3.28Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.07Å
151M91.8Very high91.4Very high157 Ų15753.1 Ų53.177%0.77329%0.285SS*.Hα-helixtrans-68.3-37.5-175.5-63.6-174.7-174.400112.7T149 G155T149-M151 PolarHBondContact O-N 3.37Å; M151-G155 PolarHBondContact O-N 3.22Å
152L93Very high91.1Very high52 Ų5251.5 Ų51.527%0.27228%0.277SS..Hα-helixtrans-69.3-44.2-179.5-174.256.8000110.9F30 L33 D37 T149 G155 G156F30-L152 HydrophobicContact CE2-CD1 3.74Å; F30-L152 HydrophobicContact CZ-CD1 3.79Å; L33-L152 HydrophobicContact CB-CD2 4.37Å; D37-L152 HydrophobicContact CB-CB 4.19Å; D37-L152 HydrophobicContact CB-CD2 3.77Å; D37-L152 HydrophobicContact CB-CG 4.15Å; T149-L152 WeakPolarHBondContact OG1-CB 3.44Å; T149-L152 PolarHBondContact OG1-N 2.93Å; L152-G155 PolarHBondContact O-N 3.4Å; L152-G156 PolarHBondContact O-N 3.47Å
153L92.9Very high90.8Very high9 Ų952.6 Ų52.65%0.04729%0.285CS..Hα-helixtrans-62-47.1172.9-178.265.1000112F38 F123 V143 G155 G156 I157F38-L153 HydrophobicContact CB-CD1 4.24Å; F38-L153 HydrophobicContact CB-CD2 4.36Å; F38-L153 HydrophobicContact CD2-CD2 4.2Å; F123-L153 HydrophobicContact CZ-CD1 4.48Å; V143-L153 HydrophobicContact CG1-CD2 3.83Å; V143-L153 VanDerWaalsContact O-CD2 3.29Å; V143-L153 WeakPolarHBondContact O-CD2 3.42Å; L153-G155 VanDerWaalsContact C-N 3.33Å; L153-G155 PolarHBondContact O-N 3.33Å; L153-G156 CarbonylContact O-C 3.21Å; L153-G156 WeakPolarHBondContact O-CA 3.2Å; L153-G156 PolarHBondContact O-N 3.3Å; L153-I157 HydrophobicContact CG-CD1 4.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.97Å
154L92.9Very high90.6Very high52 Ų5253.6 Ų53.627%0.27230%0.297SS..Hα-helixtrans-60-44.8178.4-177.963.6000111.4Q144 G150 G156 I157 Y158Q144-L154 HydrophobicContact CG-CB 4.4Å; G150-L154 VanDerWaalsContact O-CB 3.28Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.07Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.1Å; L154-I157 PolarHBondContact O-N 2.73Å; L154-Y158 HydrophobicContact CD1-CD2 4.22Å; L154-Y158 HydrophobicContact CD1-CE2 3.64Å; L154-Y158 HydrophobicContact CD2-CE2 4.23Å; L154-Y158 HydrophobicContact CG-CD2 4.05Å; L154-Y158 HydrophobicContact CG-CE2 3.67Å; L154-Y158 WeakPolarHBondContact O-CD2 3.28Å; L154-Y158 PolarHBondContact O-N 3.48Å; L154-Y158 VanDerWaalsContact O-N 3.1Å
155G92.4Very high90.2Very high22 Ų2253 Ų5323%0.22730%0.295CS..Hα-helixtrans-57.9-42.1171.700000111.8M151 L152 L153 I157 Y158 V159M151-G155 PolarHBondContact O-N 3.22Å; L152-G155 PolarHBondContact O-N 3.4Å; L153-G155 VanDerWaalsContact C-N 3.33Å; L153-G155 PolarHBondContact O-N 3.33Å; G155-I157 PolarHBondContact O-N 3.43Å; G155-Y158 PolarHBondContact O-N 3.31Å; G155-V159 WeakPolarHBondContact O-CB 3.41Å; G155-V159 WeakPolarHBondContact O-CG2 2.93Å; G155-V159 PolarHBondContact O-N 3.29Å
156G93Very high89.8Confident1 Ų150.8 Ų50.81%0.0129%0.287CS..Hα-helixtrans-60.9-41.6177.200000112.7L152 L153 L154 V159 S160L152-G156 PolarHBondContact O-N 3.47Å; L153-G156 CarbonylContact O-C 3.21Å; L153-G156 WeakPolarHBondContact O-CA 3.2Å; L153-G156 PolarHBondContact O-N 3.3Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.1Å; G156-V159 PolarHBondContact O-N 2.87Å; G156-S160 WeakPolarHBondContact O-CB 3.39Å; G156-S160 PolarHBondContact O-N 3.2Å
157I91.5Very high89.4Confident82 Ų8252.5 Ų52.542%0.42130%0.296SS..Hα-helixtrans-62.8-46.3175.5-65.9166000110.8L153 L154 G155 S160 S161L153-I157 HydrophobicContact CG-CD1 4.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.97Å; L154-I157 PolarHBondContact O-N 2.73Å; G155-I157 PolarHBondContact O-N 3.43Å; I157-S160 PolarHBondContact O-N 3.44Å; I157-S161 WeakPolarHBondContact O-CB 3.49Å; I157-S161 PolarHBondContact O-N 3.24Å; I157-S161 PolarHBondContact O-OG 3.3Å
158Y90.7Very high89Confident147 Ų14753.9 Ų53.958%0.57631%0.31SS*.Hα-helixtrans-63.3-45.8176.3-76-64.1000112.5L154 G155 S161 L162L154-Y158 HydrophobicContact CD1-CD2 4.22Å; L154-Y158 HydrophobicContact CD1-CE2 3.64Å; L154-Y158 HydrophobicContact CD2-CE2 4.23Å; L154-Y158 HydrophobicContact CG-CD2 4.05Å; L154-Y158 HydrophobicContact CG-CE2 3.67Å; L154-Y158 WeakPolarHBondContact O-CD2 3.28Å; L154-Y158 PolarHBondContact O-N 3.48Å; L154-Y158 VanDerWaalsContact O-N 3.1Å; G155-Y158 PolarHBondContact O-N 3.31Å; Y158-S161 PolarHBondContact O-N 2.93Å; Y158-L162 WeakPolarHBondContact O-CG 3.39Å; Y158-L162 PolarHBondContact O-N 3.46Å
159V89.7Confident88.6Confident31 Ų3149.9 Ų49.919%0.18829%0.289CS..Hα-helixtrans-61.3-44.4177.6160.30000111.3L27 F30 G155 G156 L162 S163L27-V159 HydrophobicContact CB-CG1 3.8Å; L27-V159 HydrophobicContact CD2-CG1 3.5Å; L27-V159 HydrophobicContact CG-CG1 4.09Å; F30-V159 HydrophobicContact CD1-CB 3.96Å; F30-V159 HydrophobicContact CD1-CG1 3.95Å; F30-V159 HydrophobicContact CD1-CG2 3.85Å; F30-V159 HydrophobicContact CE1-CB 4.19Å; F30-V159 HydrophobicContact CE1-CG2 3.81Å; G155-V159 WeakPolarHBondContact O-CB 3.41Å; G155-V159 WeakPolarHBondContact O-CG2 2.93Å; G155-V159 PolarHBondContact O-N 3.29Å; G156-V159 PolarHBondContact O-N 2.87Å; V159-L162 PolarHBondContact O-N 2.82Å; V159-S163 WeakPolarHBondContact O-CB 3.49Å; V159-S163 PolarHBondContact O-N 2.81Å
160S89.6Confident88.2Confident53 Ų5346.4 Ų46.437%0.37127%0.267SS..Hα-helixtrans-61.6-45.6176.6-176.30000111.7G156 I157 L162 S163 A164G156-S160 WeakPolarHBondContact O-CB 3.39Å; G156-S160 PolarHBondContact O-N 3.2Å; I157-S160 PolarHBondContact O-N 3.44Å; S160-L162 PolarHBondContact O-N 3.41Å; S160-S163 WeakPolarHBondContact O-CB 3.45Å; S160-S163 PolarHBondContact O-N 2.99Å; S160-A164 PolarHBondContact O-N 2.86Å
161S88.9Confident87.9Confident61 Ų6146.5 Ų46.543%0.42727%0.266SS..Hα-helixtrans-62.1-44.5178.3-57.80000111.8I157 Y158 A164 I165I157-S161 WeakPolarHBondContact O-CB 3.49Å; I157-S161 PolarHBondContact O-N 3.24Å; I157-S161 PolarHBondContact O-OG 3.3Å; Y158-S161 PolarHBondContact O-N 2.93Å; S161-A164 PolarHBondContact O-N 3.12Å; S161-I165 WeakPolarHBondContact O-CD1 3.28Å; S161-I165 VanDerWaalsContact O-CG1 3.29Å; S161-I165 WeakPolarHBondContact O-CG1 3.22Å; S161-I165 PolarHBondContact O-N 2.94Å; S161-I165 VanDerWaalsContact O-N 3.08Å
162L84.9Confident87.7Confident57 Ų5741.5 Ų41.530%0.29825%0.247SC..Hα-helixtrans-62.6-42.8174.8-73.5172.2000111.6F5 Y158 V159 S160 A164 I165 I166F5-L162 HydrophobicContact CD1-CD2 4.21Å; F5-L162 HydrophobicContact CD2-CD2 4.48Å; F5-L162 HydrophobicContact CE1-CD2 4.05Å; F5-L162 HydrophobicContact CE2-CD2 4.32Å; F5-L162 HydrophobicContact CG-CD2 4.42Å; F5-L162 HydrophobicContact CZ-CD2 4.11Å; Y158-L162 WeakPolarHBondContact O-CG 3.39Å; Y158-L162 PolarHBondContact O-N 3.46Å; V159-L162 PolarHBondContact O-N 2.82Å; S160-L162 PolarHBondContact O-N 3.41Å; L162-A164 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.22Å; L162-I165 PolarHBondContact O-N 3.47Å; L162-I166 VanDerWaalsContact O-CG1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.24Å; L162-I166 PolarHBondContact O-N 3.36Å
163S86.6Confident87.3Confident27 Ų2739 Ų3919%0.18923%0.234CC..Hα-helixtrans-58.5-45.4176.3-1690000111.9V159 S160 I165 I166 N167V159-S163 WeakPolarHBondContact O-CB 3.49Å; V159-S163 PolarHBondContact O-N 2.81Å; S160-S163 WeakPolarHBondContact O-CB 3.45Å; S160-S163 PolarHBondContact O-N 2.99Å; S163-I165 PolarHBondContact O-N 3.38Å; S163-I166 PolarHBondContact O-N 3.39Å; S163-N167 WeakPolarHBondContact O-CB 3.18Å; S163-N167 PolarHBondContact O-N 2.88Å
164A86.4Confident86.6Confident63 Ų6340.9 Ų40.952%0.52124%0.24SC..Hα-helixtrans-62.8-40.8177.800000112.2S160 S161 L162 N167 G168S160-A164 PolarHBondContact O-N 2.86Å; S161-A164 PolarHBondContact O-N 3.12Å; L162-A164 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.22Å; A164-N167 PolarHBondContact O-N 3.49Å; A164-G168 PolarHBondContact O-N 2.89Å
165I84.9Confident86.1Confident45 Ų4542.6 Ų42.623%0.23125%0.249CC..Hα-helixtrans-63.2-48.2175.5-66.8160.3000110.6L2 F5 S161 L162 S163 N167 G168 L169L2-I165 HydrophobicContact CD1-CD1 3.56Å; F5-I165 HydrophobicContact CD1-CG2 4.29Å; F5-I165 HydrophobicContact CE1-CG2 4.13Å; S161-I165 WeakPolarHBondContact O-CD1 3.28Å; S161-I165 VanDerWaalsContact O-CG1 3.29Å; S161-I165 WeakPolarHBondContact O-CG1 3.22Å; S161-I165 PolarHBondContact O-N 2.94Å; S161-I165 VanDerWaalsContact O-N 3.08Å; L162-I165 PolarHBondContact O-N 3.47Å; S163-I165 PolarHBondContact O-N 3.38Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.27Å; I165-G168 PolarHBondContact O-N 3.4Å; I165-L169 HydrophobicContact CG2-CD1 3.64Å; I165-L169 HydrophobicContact CG2-CG 4.18Å; I165-L169 WeakPolarHBondContact O-CB 3.35Å; I165-L169 WeakPolarHBondContact O-CG 3.23Å; I165-L169 PolarHBondContact O-N 3.5Å
166I82.7Confident85.7Confident26 Ų2643.1 Ų43.113%0.13325%0.247CC..Hα-helixtrans-57.7-46178-68.1169.5000110.1F5 F9 V20 L162 S163 Y170F5-I166 HydrophobicContact CE1-CG1 4.1Å; F5-I166 HydrophobicContact CZ-CD1 4.1Å; F5-I166 HydrophobicContact CZ-CG1 3.9Å; F9-I166 HydrophobicContact CD2-CG1 4.38Å; F9-I166 HydrophobicContact CE2-CB 3.91Å; F9-I166 HydrophobicContact CE2-CG1 3.73Å; F9-I166 HydrophobicContact CE2-CG2 3.78Å; F9-I166 HydrophobicContact CZ-CB 4.23Å; F9-I166 HydrophobicContact CZ-CG2 3.91Å; F9-I166 WeakPolarHBondContact CZ-O 3.38Å; V20-I166 HydrophobicContact CG1-CG2 3.7Å; L162-I166 VanDerWaalsContact O-CG1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.24Å; L162-I166 PolarHBondContact O-N 3.36Å; S163-I166 PolarHBondContact O-N 3.39Å; I166-Y170 VanDerWaalsContact O-CB 3.23Å; I166-Y170 WeakPolarHBondContact O-CB 3.44Å; I166-Y170 PolarHBondContact O-N 3.43Å; I166-Y170 VanDerWaalsContact O-N 3.11Å
167N83.6Confident85.2Confident36 Ų3643.5 Ų43.519%0.19325%0.248CC..Hα-helixtrans-62.5-48.9179.1-168.951.9000111.7Q24 S90 S163 A164 I165 Y170 V171Q24-N167 PolarHBondContact NE2-OD1 3.37Å; S90-N167 PolarHBondContact OG-ND2 3.27Å; S163-N167 WeakPolarHBondContact O-CB 3.18Å; S163-N167 PolarHBondContact O-N 2.88Å; A164-N167 PolarHBondContact O-N 3.49Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.27Å; N167-Y170 PolarHBondContact O-N 3.22Å; N167-V171 WeakPolarHBondContact O-CB 3.47Å; N167-V171 WeakPolarHBondContact O-CG2 3.18Å; N167-V171 PolarHBondContact O-N 3.4Å
168G84.5Confident84.5Confident30 Ų3043 Ų4331%0.30925%0.252SS..Hα-helixtrans-61.7-46.6179.400000113A164 I165 Y170 V171 S172A164-G168 PolarHBondContact O-N 2.89Å; I165-G168 PolarHBondContact O-N 3.4Å; G168-Y170 PolarHBondContact O-N 2.87Å; G168-V171 PolarHBondContact O-N 3Å; G168-S172 WeakPolarHBondContact O-CB 3.38Å; G168-S172 PolarHBondContact O-N 3.49Å; G168-S172 PolarHBondContact O-OG 3.38Å; G168-S172 VanDerWaalsContact O-OG 3.06Å
169L83.4Confident83.9Confident8 Ų839.1 Ų39.14%0.04224%0.24CC..Hα-helixtrans-70.1-16.1179.6-68.6177.3000113.6I6 F9 N13 I165 P173 V223I6-L169 HydrophobicContact CG1-CD1 4.32Å; I6-L169 HydrophobicContact CG2-CD1 4.43Å; F9-L169 HydrophobicContact CB-CD1 3.78Å; F9-L169 HydrophobicContact CD1-CB 3.25Å; F9-L169 HydrophobicContact CD1-CD1 3.48Å; F9-L169 VanDerWaalsContact CD1-CD1 3.48Å; F9-L169 HydrophobicContact CD1-CG 3.99Å; F9-L169 HydrophobicContact CD2-CD1 4.23Å; F9-L169 HydrophobicContact CE1-CB 3.11Å; F9-L169 HydrophobicContact CE1-CD1 4.11Å; F9-L169 HydrophobicContact CE1-CG 4.25Å; F9-L169 HydrophobicContact CG-CB 4.12Å; F9-L169 HydrophobicContact CG-CD1 3.53Å; F9-L169 HydrophobicContact CG-CG 4.49Å; F9-L169 HydrophobicContact CZ-CB 3.92Å; N13-L169 PolarHBondContact ND2-O 3.14Å; I165-L169 HydrophobicContact CG2-CD1 3.64Å; I165-L169 HydrophobicContact CG2-CG 4.18Å; I165-L169 WeakPolarHBondContact O-CB 3.35Å; I165-L169 WeakPolarHBondContact O-CG 3.23Å; I165-L169 PolarHBondContact O-N 3.5Å; L169-P173 VanDerWaalsContact O-CD 3.27Å; L169-P173 WeakPolarHBondContact O-CD 3.02Å; L169-P173 VanDerWaalsContact O-CG 3.23Å; L169-P173 WeakPolarHBondContact O-CG 3.11Å; L169-V223 HydrophobicContact CD2-CG1 4.1Å
170Y81.1Confident83.5Confident8 Ų837.7 Ų37.73%0.03123%0.232CC..Hα-helixtrans-90.4-46174.4173.3-93.7000111.9I17 M94 I166 N167 G168 R174I17-Y170 HydrophobicContact CB-CE2 4.33Å; I17-Y170 WeakPolarHBondContact CB-OH 3.23Å; I17-Y170 WeakPolarHBondContact CD1-OH 3.02Å; I17-Y170 HydrophobicContact CG1-CE2 3.9Å; I17-Y170 WeakPolarHBondContact CG1-OH 3.48Å; I17-Y170 HydrophobicContact CG2-CE1 4.45Å; I17-Y170 HydrophobicContact CG2-CE2 4.34Å; I17-Y170 WeakPolarHBondContact CG2-OH 2.94Å; M94-Y170 HydrophobicContact CE-CE1 4.38Å; I166-Y170 VanDerWaalsContact O-CB 3.23Å; I166-Y170 WeakPolarHBondContact O-CB 3.44Å; I166-Y170 PolarHBondContact O-N 3.43Å; I166-Y170 VanDerWaalsContact O-N 3.11Å; N167-Y170 PolarHBondContact O-N 3.22Å; G168-Y170 PolarHBondContact O-N 2.87Å; Y170-R174 VanDerWaalsContact CE2-NE 3.27Å; Y170-R174 PolarHBondContact OH-NE 3.26Å; Y170-R174 PolarHBondContact OH-NH2 3.18Å
171V81.9Confident82.7Confident9 Ų936.6 Ų36.66%0.05523%0.226CC..Hα-helixtrans-73.6-47.8-175.1165.90000112.2N93 M94 N167 G168 R174 L175N93-V171 HydrophobicContact CB-CG1 3.4Å; N93-V171 VanDerWaalsContact CB-CG1 3.4Å; N93-V171 HydrophobicContact CB-CG2 4.48Å; N93-V171 WeakPolarHBondContact ND2-CG1 3.48Å; M94-V171 HydrophobicContact CG-CG2 4.47Å; N167-V171 WeakPolarHBondContact O-CB 3.47Å; N167-V171 WeakPolarHBondContact O-CG2 3.18Å; N167-V171 PolarHBondContact O-N 3.4Å; G168-V171 PolarHBondContact O-N 3Å; V171-R174 PolarHBondContact O-N 3.01Å; V171-R174 VanDerWaalsContact O-N 3.14Å; V171-L175 PolarHBondContact O-N 3.22Å
172S86.2Confident81.9Confident53 Ų5340.3 Ų40.337%0.37124%0.236SC..Hα-helixtrans-61.2-42.4-172.7-57.90000113.5G168 R174 L175 L176G168-S172 WeakPolarHBondContact O-CB 3.38Å; G168-S172 PolarHBondContact O-N 3.49Å; G168-S172 PolarHBondContact O-OG 3.38Å; G168-S172 VanDerWaalsContact O-OG 3.06Å; S172-R174 VanDerWaalsContact C-N 3.32Å; S172-R174 PolarHBondContact O-N 3.48Å; S172-L175 PolarHBondContact O-N 3.42Å; S172-L176 WeakPolarHBondContact O-CB 3.42Å; S172-L176 PolarHBondContact O-N 3.19Å
173P85Confident81.3Confident0 Ų040.4 Ų40.40%024%0.237CC..Hα-helixtrans-61.2-36.6174.9-29.740.5000114.2L169 L176 Q177 P216 A219 T220 V223L169-P173 VanDerWaalsContact O-CD 3.27Å; L169-P173 WeakPolarHBondContact O-CD 3.02Å; L169-P173 VanDerWaalsContact O-CG 3.23Å; L169-P173 WeakPolarHBondContact O-CG 3.11Å; P173-L176 PolarHBondContact O-N 3.3Å; P173-Q177 VanDerWaalsContact O-CB 3.29Å; P173-Q177 WeakPolarHBondContact O-CB 3.42Å; P173-Q177 PolarHBondContact O-N 3.46Å; P173-P216 HydrophobicContact CB-CB 4.03Å; P173-P216 HydrophobicContact CB-CG 3.57Å; P173-P216 WeakPolarHBondContact O-CB 3.13Å; P173-A219 HydrophobicContact CB-CB 4.02Å; P173-A219 WeakPolarHBondContact O-CB 3.49Å; P173-T220 WeakPolarHBondContact CB-OG1 3.49Å; P173-V223 HydrophobicContact CG-CB 4.06Å; P173-V223 HydrophobicContact CG-CG1 4.38Å; P173-V223 HydrophobicContact CG-CG2 4Å
174R79.8Confident80.7Confident47 Ų4740.4 Ų40.418%0.17724%0.236CC..Hα-helixtrans-68.4-46.3178.2-69.9-179.2-179.2-88.6-5110.9Y170 V171 S172 L176 Q177 S178 P216Y170-R174 VanDerWaalsContact CE2-NE 3.27Å; Y170-R174 PolarHBondContact OH-NE 3.26Å; Y170-R174 PolarHBondContact OH-NH2 3.18Å; V171-R174 PolarHBondContact O-N 3.01Å; V171-R174 VanDerWaalsContact O-N 3.14Å; S172-R174 VanDerWaalsContact C-N 3.32Å; S172-R174 PolarHBondContact O-N 3.48Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 2.85Å; R174-Q177 PolarHBondContact O-N 3.23Å; R174-S178 PolarHBondContact O-N 3.26Å; R174-S178 PolarHBondContact O-OG 3.41Å; R174-S178 VanDerWaalsContact O-OG 3.11Å; R174-P216 HydrophobicContact CG-CG 3.81Å
175L81.9Confident80.3Confident88 Ų8838 Ų3846%0.46122%0.215SC..Hα-helixtrans-58-46.2174.9-177.362.9000110.7V171 S172 Q177 S178 I179V171-L175 PolarHBondContact O-N 3.22Å; S172-L175 PolarHBondContact O-N 3.42Å; L175-Q177 PolarHBondContact O-N 3.45Å; L175-S178 PolarHBondContact O-N 3.45Å; L175-I179 HydrophobicContact CD1-CD1 4.31Å; L175-I179 HydrophobicContact CG-CD1 4.07Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.02Å
176L84.3Confident79.7Confident34 Ų3438 Ų3818%0.17822%0.22CC..Hα-helixtrans-63.8-40.9179-173.861.1000112.5S172 P173 R174 A180 M188 L191 A219 L222 V223S172-L176 WeakPolarHBondContact O-CB 3.42Å; S172-L176 PolarHBondContact O-N 3.19Å; P173-L176 PolarHBondContact O-N 3.3Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 2.85Å; L176-A180 VanDerWaalsContact O-CB 3.3Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.28Å; L176-M188 HydrophobicContact CD1-SD 3.93Å; L176-L191 HydrophobicContact CD1-CD1 4.21Å; L176-L191 HydrophobicContact CD2-CD1 3.91Å; L176-L191 HydrophobicContact CD2-CD2 4.49Å; L176-L191 HydrophobicContact CG-CD1 3.96Å; L176-A219 HydrophobicContact CB-CB 4.31Å; L176-A219 HydrophobicContact CD2-CB 4.05Å; L176-A219 HydrophobicContact CG-CB 4.35Å; L176-L222 HydrophobicContact CD2-CD2 3.45Å; L176-L222 VanDerWaalsContact CD2-CD2 3.45Å; L176-V223 HydrophobicContact CD2-CG2 4.44Å
177Q81.9Confident79.6Confident9 Ų944 Ų444%0.04225%0.246CC..Hα-helixtrans-65.1-41.3175.8-175.9-170.75000111.8P173 R174 L175 A180 A181 K193 V195 N214 P216P173-Q177 VanDerWaalsContact O-CB 3.29Å; P173-Q177 WeakPolarHBondContact O-CB 3.42Å; P173-Q177 PolarHBondContact O-N 3.46Å; R174-Q177 PolarHBondContact O-N 3.23Å; L175-Q177 PolarHBondContact O-N 3.45Å; Q177-A180 PolarHBondContact O-N 2.84Å; Q177-A181 WeakPolarHBondContact O-CB 3.42Å; Q177-A181 PolarHBondContact O-N 3.43Å; Q177-K193 PolarHBondContact NE2-O 2.86Å; Q177-V195 VanDerWaalsContact CD-CG2 3.46Å; Q177-V195 HydrophobicContact CG-CG2 3.4Å; Q177-V195 VanDerWaalsContact CG-CG2 3.4Å; Q177-N214 PolarHBondContact OE1-O 3.14Å; Q177-N214 VanDerWaalsContact OE1-O 3.12Å; Q177-P216 HydrophobicContact CB-CB 3.7Å; Q177-P216 HydrophobicContact CG-CB 4.12Å
178S77.4Confident79.5Confident71 Ų7143 Ų4350%0.49724%0.241SC..Hα-helixtrans-61.8-46.5176-65.40000111.7R174 L175 A180 A181 E182R174-S178 PolarHBondContact O-N 3.26Å; R174-S178 PolarHBondContact O-OG 3.41Å; R174-S178 VanDerWaalsContact O-OG 3.11Å; L175-S178 PolarHBondContact O-N 3.45Å; S178-A180 VanDerWaalsContact C-N 3.32Å; S178-A180 PolarHBondContact O-N 2.84Å; S178-A181 WeakPolarHBondContact O-CB 3.45Å; S178-A181 PolarHBondContact O-N 2.85Å; S178-A181 VanDerWaalsContact O-N 3.17Å; S178-E182 PolarHBondContact O-N 3.21Å
179I78.2Confident79.2Confident66 Ų6648.1 Ų48.134%0.33825%0.251SS..Hα-helixtrans-63.7-39.8176-59.5164.8000110.5L175 A181 E182 M188L175-I179 HydrophobicContact CD1-CD1 4.31Å; L175-I179 HydrophobicContact CG-CD1 4.07Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.02Å; I179-A181 VanDerWaalsContact C-N 3.28Å; I179-A181 PolarHBondContact O-N 3.29Å; I179-E182 PolarHBondContact O-N 3.26Å; I179-M188 HydrophobicContact CB-CE 4.18Å; I179-M188 HydrophobicContact CG2-CE 3.39Å
180A81.2Confident79Confident1 Ų151.2 Ų51.21%0.00827%0.271CS..Hα-helixtrans-63.9-32.1176.400000112.9L176 Q177 S178 E182 N183 M188 L191 Q192L176-A180 VanDerWaalsContact O-CB 3.3Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.28Å; Q177-A180 PolarHBondContact O-N 2.84Å; S178-A180 VanDerWaalsContact C-N 3.32Å; S178-A180 PolarHBondContact O-N 2.84Å; A180-E182 VanDerWaalsContact C-N 3.33Å; A180-N183 PolarHBondContact O-N 2.9Å; A180-M188 HydrophobicContact CB-CB 4.09Å; A180-M188 WeakPolarHBondContact CB-O 3.35Å; A180-L191 HydrophobicContact CB-CB 3.81Å; A180-Q192 HydrophobicContact CB-CB 4.07Å
181A72.2Confident78.9Confident29 Ų2951.6 Ų51.624%0.2427%0.273CS..Hα-helixtrans-71.1-26.717800000113.2Q177 S178 I179 N183 V195Q177-A181 WeakPolarHBondContact O-CB 3.42Å; Q177-A181 PolarHBondContact O-N 3.43Å; S178-A181 WeakPolarHBondContact O-CB 3.45Å; S178-A181 PolarHBondContact O-N 2.85Å; S178-A181 VanDerWaalsContact O-N 3.17Å; I179-A181 VanDerWaalsContact C-N 3.28Å; I179-A181 PolarHBondContact O-N 3.29Å; A181-N183 PolarHBondContact O-N 2.91Å; A181-N183 PolarHBondContact O-ND2 2.9Å; A181-V195 HydrophobicContact CB-CB 4.36Å; A181-V195 HydrophobicContact CB-CG1 4.21Å; A181-V195 HydrophobicContact CB-CG2 4Å
182E72.4Confident78.4Confident139 Ų13952.9 Ų52.965%0.6528%0.279SS*.THydrogen-bonded Turntrans-68.4-12171.7-61.4-172.617400112.5S178 I179 A180 V184S178-E182 PolarHBondContact O-N 3.21Å; I179-E182 PolarHBondContact O-N 3.26Å; A180-E182 VanDerWaalsContact C-N 3.33Å; E182-V184 HydrophobicContact CB-CG2 3.82Å; E182-V184 PolarHBondContact O-N 3.23Å
183N72.2Confident77.3Confident59 Ų5957.2 Ų57.232%0.31629%0.291SS..THydrogen-bonded Turntrans55.618.7177.7-72.4-79.4000114.7A180 A181 I185 Q192A180-N183 PolarHBondContact O-N 2.9Å; A181-N183 PolarHBondContact O-N 2.91Å; A181-N183 PolarHBondContact O-ND2 2.9Å; N183-I185 VanDerWaalsContact C-N 3.26Å; N183-I185 PolarHBondContact O-N 2.97Å; N183-Q192 PolarHBondContact ND2-OE1 2.63Å; N183-Q192 PolarHBondContact OD1-NE2 3.42Å; N183-Q192 VanDerWaalsContact OD1-NE2 3.09Å; N183-Q192 PolarHBondContact OD1-OE1 3.15Å
184V74.3Confident76Confident27 Ų2759 Ų5916%0.16431%0.309CS..  trans-62.1-36.3177.9176.70000111.1E182 I328 N332E182-V184 HydrophobicContact CB-CG2 3.82Å; E182-V184 PolarHBondContact O-N 3.23Å; V184-I328 HydrophobicContact CG1-CB 4.26Å; V184-I328 HydrophobicContact CG1-CD1 4.13Å; V184-I328 HydrophobicContact CG1-CG1 3.72Å; V184-I328 HydrophobicContact CG1-CG2 3.79Å; V184-N332 PolarHBondContact O-ND2 3.28Å
185I76.7Confident74.8Confident14 Ų1459 Ų597%0.07231%0.314CS..SBendtrans-116.6113.2-177.6-47.9-175.4000110N183 F187 M188 L324 Y327N183-I185 VanDerWaalsContact C-N 3.26Å; N183-I185 PolarHBondContact O-N 2.97Å; I185-F187 VanDerWaalsContact C-N 3.29Å; I185-F187 HydrophobicContact CB-CE1 4.5Å; I185-F187 HydrophobicContact CG2-CD1 3.21Å; I185-F187 HydrophobicContact CG2-CE1 3.1Å; I185-F187 HydrophobicContact CG2-CG 4.01Å; I185-F187 HydrophobicContact CG2-CZ 3.8Å; I185-F187 PolarHBondContact O-N 3.48Å; I185-M188 HydrophobicContact CB-CB 4.48Å; I185-M188 HydrophobicContact CB-CE 3.88Å; I185-M188 HydrophobicContact CB-CG 4.16Å; I185-M188 HydrophobicContact CD1-CE 3.57Å; I185-M188 HydrophobicContact CD1-SD 4.22Å; I185-M188 HydrophobicContact CG1-CE 3.92Å; I185-M188 HydrophobicContact CG2-CG 4.12Å; I185-M188 PolarHBondContact O-N 3.25Å; I185-M188 VanDerWaalsContact O-N 3.08Å; I185-L324 HydrophobicContact CD1-CD1 3.65Å; I185-Y327 HydrophobicContact CB-CE1 4.29Å; I185-Y327 HydrophobicContact CG1-CE1 4.3Å; I185-Y327 HydrophobicContact CG2-CE1 3.92Å
186A73.2Confident73.2Confident43 Ų4357.4 Ų57.436%0.35531%0.306SS..G310 helixtrans-62.1-32.9-170.900000113.6M188 R189A186-M188 VanDerWaalsContact C-N 3.28Å; A186-M188 PolarHBondContact O-N 3.01Å; A186-R189 WeakPolarHBondContact O-CB 3.17Å; A186-R189 WeakPolarHBondContact O-CD 3.32Å; A186-R189 WeakPolarHBondContact O-CG 3.12Å; A186-R189 PolarHBondContact O-N 3.04Å
187F80.8Confident71.5Confident154 Ų15459.7 Ų59.768%0.67532%0.319SS*.G310 helixtrans-71.6-22179.378-105.2000113.1I185 R189 P190I185-F187 VanDerWaalsContact C-N 3.29Å; I185-F187 HydrophobicContact CB-CE1 4.5Å; I185-F187 HydrophobicContact CG2-CD1 3.21Å; I185-F187 HydrophobicContact CG2-CE1 3.1Å; I185-F187 HydrophobicContact CG2-CG 4.01Å; I185-F187 HydrophobicContact CG2-CZ 3.8Å; I185-F187 PolarHBondContact O-N 3.48Å; F187-R189 VanDerWaalsContact C-N 3.3Å; F187-P190 WeakPolarHBondContact O-CD 3.29Å
188M81.2Confident69.7Low15 Ų1566.3 Ų66.37%0.07435%0.35CS..G310 helixtrans-83.7-6.1-179.9-61.6-160.8-47.100112.9L176 I179 A180 I185 A186 P190 L191L176-M188 HydrophobicContact CD1-SD 3.93Å; I179-M188 HydrophobicContact CB-CE 4.18Å; I179-M188 HydrophobicContact CG2-CE 3.39Å; A180-M188 HydrophobicContact CB-CB 4.09Å; A180-M188 WeakPolarHBondContact CB-O 3.35Å; I185-M188 HydrophobicContact CB-CB 4.48Å; I185-M188 HydrophobicContact CB-CE 3.88Å; I185-M188 HydrophobicContact CB-CG 4.16Å; I185-M188 HydrophobicContact CD1-CE 3.57Å; I185-M188 HydrophobicContact CD1-SD 4.22Å; I185-M188 HydrophobicContact CG1-CE 3.92Å; I185-M188 HydrophobicContact CG2-CG 4.12Å; I185-M188 PolarHBondContact O-N 3.25Å; I185-M188 VanDerWaalsContact O-N 3.08Å; A186-M188 VanDerWaalsContact C-N 3.28Å; A186-M188 PolarHBondContact O-N 3.01Å; M188-P190 VanDerWaalsContact C-N 3.29Å; M188-P190 VanDerWaalsContact O-N 3.11Å; M188-L191 HydrophobicContact CB-CD1 4.07Å; M188-L191 HydrophobicContact CG-CD1 4.24Å; M188-L191 VanDerWaalsContact O-CB 3.26Å; M188-L191 WeakPolarHBondContact O-CB 3.34Å; M188-L191 PolarHBondContact O-N 3.31Å
189R77.6Confident68Low137 Ų13774.8 Ų74.852%0.51737%0.371SS..G310 helixtrans-49-37.2179.5-72.6177.3-178.8175.63115A186 F187 L191 Q192A186-R189 WeakPolarHBondContact O-CB 3.17Å; A186-R189 WeakPolarHBondContact O-CD 3.32Å; A186-R189 WeakPolarHBondContact O-CG 3.12Å; A186-R189 PolarHBondContact O-N 3.04Å; F187-R189 VanDerWaalsContact C-N 3.3Å; R189-L191 PolarHBondContact O-N 3.29Å; R189-Q192 WeakPolarHBondContact O-CG 3.26Å; R189-Q192 PolarHBondContact O-N 2.88Å; R189-Q192 PolarHBondContact O-NE2 2.71Å
190P78.8Confident66.5Low72 Ų7282.2 Ų82.247%0.46839%0.394SS..G310 helixtrans-63.8-28.2177.1-22.835.1000113.6F187 M188 Q192 K193F187-P190 WeakPolarHBondContact O-CD 3.29Å; M188-P190 VanDerWaalsContact C-N 3.29Å; M188-P190 VanDerWaalsContact O-N 3.11Å; P190-Q192 VanDerWaalsContact C-N 3.27Å; P190-Q192 PolarHBondContact O-N 3.08Å; P190-K193 WeakPolarHBondContact O-CG 3.44Å; P190-K193 PolarHBondContact O-N 3.32Å
191L80.1Confident64.5Low16 Ų1684.6 Ų84.68%0.08441%0.405CS..G310 helixtrans-73.8-18.5-177.1-59.4164.7000112.5L176 A180 M188 R189 K193 I218 A219 L222L176-L191 HydrophobicContact CD1-CD1 4.21Å; L176-L191 HydrophobicContact CD2-CD1 3.91Å; L176-L191 HydrophobicContact CD2-CD2 4.49Å; L176-L191 HydrophobicContact CG-CD1 3.96Å; A180-L191 HydrophobicContact CB-CB 3.81Å; M188-L191 HydrophobicContact CB-CD1 4.07Å; M188-L191 HydrophobicContact CG-CD1 4.24Å; M188-L191 VanDerWaalsContact O-CB 3.26Å; M188-L191 WeakPolarHBondContact O-CB 3.34Å; M188-L191 PolarHBondContact O-N 3.31Å; R189-L191 PolarHBondContact O-N 3.29Å; L191-K193 PolarHBondContact O-N 3.08Å; L191-I218 HydrophobicContact CD2-CG2 3.91Å; L191-A219 HydrophobicContact CD2-CB 4.19Å; L191-L222 HydrophobicContact CD1-CD2 4.3Å; L191-L222 HydrophobicContact CD2-CB 4.4Å; L191-L222 HydrophobicContact CD2-CD2 4.18Å
192Q71.2Confident63.2Low37 Ų3790.3 Ų90.317%0.17343%0.431CS..G310 helixtrans-72.4-11.7178.989.1-168.6-74.300113.3A180 N183 R189 P190 G194 V195A180-Q192 HydrophobicContact CB-CB 4.07Å; N183-Q192 PolarHBondContact ND2-OE1 2.63Å; N183-Q192 PolarHBondContact OD1-NE2 3.42Å; N183-Q192 VanDerWaalsContact OD1-NE2 3.09Å; N183-Q192 PolarHBondContact OD1-OE1 3.15Å; R189-Q192 WeakPolarHBondContact O-CG 3.26Å; R189-Q192 PolarHBondContact O-N 2.88Å; R189-Q192 PolarHBondContact O-NE2 2.71Å; P190-Q192 VanDerWaalsContact C-N 3.27Å; P190-Q192 PolarHBondContact O-N 3.08Å; Q192-G194 PolarHBondContact O-N 3.44Å; Q192-V195 PolarHBondContact O-N 3.29Å
193K63.7Low61.7Low144 Ų14494.6 Ų94.663%0.62644%0.443SS*.THydrogen-bonded Turntrans-56.6123.3177.4-75.2178.2175.5178.70109.1Q177 P190 L191 I218Q177-K193 PolarHBondContact NE2-O 2.86Å; P190-K193 WeakPolarHBondContact O-CG 3.44Å; P190-K193 PolarHBondContact O-N 3.32Å; L191-K193 PolarHBondContact O-N 3.08Å; K193-I218 HydrophobicContact CB-CD1 3.93Å; K193-I218 HydrophobicContact CD-CD1 3.57Å; K193-I218 HydrophobicContact CG-CD1 4.28Å
194G57.8Low60.3Low37 Ų3797 Ų9738%0.38146%0.455SS..THydrogen-bonded Turntrans111-19.2-174.800000113.8Q192 N196 N214Q192-G194 PolarHBondContact O-N 3.44Å; G194-N196 PolarHBondContact O-N 3.2Å; G194-N214 WeakPolarHBondContact O-CA 3.26Å; G194-N214 WeakPolarHBondContact O-CB 3.45Å; G194-N214 PolarHBondContact O-OD1 3.26Å
195V54Low58.8Low46 Ų46102.9 Ų102.928%0.27948%0.479SS..SBendtrans-74.7117.6168.3-175.80000108.1Q177 A181 Q192 N197Q177-V195 VanDerWaalsContact CD-CG2 3.46Å; Q177-V195 HydrophobicContact CG-CG2 3.4Å; Q177-V195 VanDerWaalsContact CG-CG2 3.4Å; A181-V195 HydrophobicContact CB-CB 4.36Å; A181-V195 HydrophobicContact CB-CG1 4.21Å; A181-V195 HydrophobicContact CB-CG2 4Å; Q192-V195 PolarHBondContact O-N 3.29Å; V195-N197 PolarHBondContact O-N 3.48Å
196N49.2Very low57.1Low56 Ų56110 Ų11030%0.29952%0.515SS..  trans-56.590166.3-73.1-24.5000109.1G194 Q198 K201 N214G194-N196 PolarHBondContact O-N 3.2Å; N196-Q198 PolarHBondContact O-N 3.31Å; N196-K201 PolarHBondContact OD1-NZ 3.18Å; N196-N214 VanDerWaalsContact CB-OD1 3.3Å; N196-N214 WeakPolarHBondContact CB-OD1 3.18Å; N196-N214 PolarHBondContact N-OD1 3.26Å; N196-N214 PolarHBondContact ND2-OD1 2.92Å; N196-N214 PolarHBondContact OD1-OD1 3.47Å
197N46.6Very low55.7Low82 Ų82114.9 Ų114.944%0.43953%0.534SS..  trans-6579.7158.6-101.4-33.7000106.9V195 R199 R200V195-N197 PolarHBondContact O-N 3.48Å; N197-R199 PolarHBondContact O-N 3.19Å; N197-R199 VanDerWaalsContact O-N 3.1Å; N197-R200 PolarHBondContact O-N 3.2Å
198Q44.1Very low53.9Low147 Ų147112.4 Ų112.469%0.68753%0.531SS*.G310 helixtrans-53-29.1174.6-160.183.2-19.900110N196 R200N196-Q198 PolarHBondContact O-N 3.31Å; Q198-R200 PolarHBondContact O-N 2.83Å
199R42.6Very low51.9Low249 Ų249114.7 Ų114.794%0.9455%0.546SS*.G310 helixtrans-66.8-8.2176.9-118.7176.8-176.2-178.7-0115.8N197N197-R199 PolarHBondContact O-N 3.19Å; N197-R199 VanDerWaalsContact O-N 3.1Å
200R47Very low50Low222 Ų222120.2 Ų120.284%0.83857%0.567SS**G310 helixtrans-123.212.6-177.2-129.9178.9-171.7-178.72114.4N197 Q198N197-R200 PolarHBondContact O-N 3.2Å; Q198-R200 PolarHBondContact O-N 2.83Å
201K39Very low48.3Very low52 Ų52118.3 Ų118.323%0.22656%0.561CS.*  trans-105.529.8-154.9-100.7-167.9-178.3-166.40118.3N196N196-K201 PolarHBondContact OD1-NZ 3.18Å
202N44.2Very low46.7Very low148 Ų148123.7 Ų123.779%0.79160%0.597SS**SBendtrans-97.1-20.6176.4-76.6-5.3000116.2
203Y41.7Very low46.1Very low229 Ų229125.7 Ų125.790%0.89861%0.608SS**SBendtrans-122.6-7.2-176.5-79.1-83.7000115.9
204L42.7Very low46.1Very low110 Ų110121.5 Ų121.558%0.57659%0.593SS**  trans-130.642.1-174.2-148.872.6000112.4I206 T208L204-I206 VanDerWaalsContact C-N 3.34Å; L204-T208 PolarHBondContact O-OG1 3.32Å
205K42.2Very low46.7Very low151 Ų151121.1 Ų121.166%0.65758%0.581SS**  trans-80.2-10.7-176.6-166.1175.2178.7-177.30113.7
206I41.8Very low47.8Very low163 Ų163119.2 Ų119.284%0.83657%0.57SS**SBendtrans-99.3-13.4-164.8-56.7176.5000113.4L204L204-I206 VanDerWaalsContact C-N 3.34Å
207I44Very low49.2Very low146 Ų146120.9 Ų120.975%0.74958%0.578SS**SBendtrans-125-8.6-167.8-35.5179.3000114.2
208T42.6Very low50.9Low101 Ų101120.2 Ų120.262%0.6257%0.574SS**SBendtrans-126.93.5-165.5430000116.4L204L204-T208 PolarHBondContact O-OG1 3.32Å
209T38.3Very low52.9Low64 Ų64113.2 Ų113.239%0.39354%0.541SS..  trans-116.681.3178.944.50000111.2
210R37.7Very low54.9Low252 Ų252101.8 Ų101.895%0.95150%0.499SS*.  trans-92.799.9161.2-83.5-171.3169.5145.6-1.1108.4
211G44.8Very low56.7Low33 Ų3395.3 Ų95.334%0.3448%0.48SS..  trans132.7117.9175.100000112.6N213G211-N213 PolarHBondContact O-N 3.25Å; G211-N213 VanDerWaalsContact O-N 3.12Å
212P46.5Very low59Low128 Ų12897 Ų9783%0.83149%0.491SS*.THydrogen-bonded Turntrans-62.4-10.2173.9-23.535.2000115
213N56.9Low61.2Low79 Ų7990.9 Ų90.942%0.42246%0.459SS..THydrogen-bonded Turntrans-125.620-159.9-72.9-21.5000116.6G211 E215G211-N213 PolarHBondContact O-N 3.25Å; G211-N213 VanDerWaalsContact O-N 3.12Å; N213-E215 HydrophobicContact CB-CG 3.94Å; N213-E215 WeakPolarHBondContact CB-OE1 3.22Å; N213-E215 PolarHBondContact ND2-OE1 3.11Å; N213-E215 PolarHBondContact O-N 3.11Å; N213-E215 VanDerWaalsContact O-N 3.16Å
214N64.3Low63.3Low56 Ų5680.3 Ų80.330%0.29942%0.419SS..  trans49.340.6-177.9-69.2-29.7000113.6Q177 G194 N196Q177-N214 PolarHBondContact OE1-O 3.14Å; Q177-N214 VanDerWaalsContact OE1-O 3.12Å; G194-N214 WeakPolarHBondContact O-CA 3.26Å; G194-N214 WeakPolarHBondContact O-CB 3.45Å; G194-N214 PolarHBondContact O-OD1 3.26Å; N196-N214 VanDerWaalsContact CB-OD1 3.3Å; N196-N214 WeakPolarHBondContact CB-OD1 3.18Å; N196-N214 PolarHBondContact N-OD1 3.26Å; N196-N214 PolarHBondContact ND2-OD1 2.92Å; N196-N214 PolarHBondContact OD1-OD1 3.47Å
215E69.8Low65.4Low29 Ų2979.8 Ų79.814%0.13642%0.416CS..  trans-73132.6-172-73.9167.1-167.600111.9N213 I217N213-E215 HydrophobicContact CB-CG 3.94Å; N213-E215 WeakPolarHBondContact CB-OE1 3.22Å; N213-E215 PolarHBondContact ND2-OE1 3.11Å; N213-E215 PolarHBondContact O-N 3.11Å; N213-E215 VanDerWaalsContact O-N 3.16Å; E215-I217 VanDerWaalsContact C-N 3.3Å; E215-I217 PolarHBondContact O-N 2.88Å
216P78.4Confident67.7Low7 Ų776.8 Ų76.85%0.04541%0.407CS..  trans-83.257.8-170.736.1-41.3000113.7P173 R174 Q177 I218 A219 T220P173-P216 HydrophobicContact CB-CB 4.03Å; P173-P216 HydrophobicContact CB-CG 3.57Å; P173-P216 WeakPolarHBondContact O-CB 3.13Å; R174-P216 HydrophobicContact CG-CG 3.81Å; Q177-P216 HydrophobicContact CB-CB 3.7Å; Q177-P216 HydrophobicContact CG-CB 4.12Å; P216-I218 PolarHBondContact O-N 3.39Å; P216-A219 HydrophobicContact CB-CB 4.17Å; P216-A219 CarbonylContact O-C 3.59Å; P216-A219 PolarHBondContact O-N 2.94Å; P216-A219 VanDerWaalsContact O-N 3.11Å; P216-T220 PolarHBondContact O-N 3.44Å; P216-T220 PolarHBondContact O-OG1 3.36Å; P216-T220 VanDerWaalsContact O-OG1 3.04Å
217I78.6Confident69.9Low91 Ų9171.2 Ų71.247%0.46738%0.381SS..Hα-helixtrans-52.4-48.7-170-58.1172.4000113E215 T220 I221E215-I217 VanDerWaalsContact C-N 3.3Å; E215-I217 PolarHBondContact O-N 2.88Å; I217-T220 WeakPolarHBondContact O-CB 3.3Å; I217-T220 PolarHBondContact O-N 3.09Å; I217-I221 HydrophobicContact CG2-CD1 4.2Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.97Å
218I82.5Confident71.9Confident67 Ų6765.3 Ų65.334%0.34435%0.351SS..Hα-helixtrans-67.2-41.4-177.1-56.2-178.5000110.8L191 K193 P216 T220 I221 L222L191-I218 HydrophobicContact CD2-CG2 3.91Å; K193-I218 HydrophobicContact CB-CD1 3.93Å; K193-I218 HydrophobicContact CD-CD1 3.57Å; K193-I218 HydrophobicContact CG-CD1 4.28Å; P216-I218 PolarHBondContact O-N 3.39Å; I218-T220 VanDerWaalsContact C-N 3.29Å; I218-T220 PolarHBondContact O-N 3.03Å; I218-I221 PolarHBondContact O-N 3.09Å; I218-L222 PolarHBondContact O-N 2.92Å
219A85.3Confident74Confident0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-67-33175.300000111.5P173 L176 L191 P216 L222 V223P173-A219 HydrophobicContact CB-CB 4.02Å; P173-A219 WeakPolarHBondContact O-CB 3.49Å; L176-A219 HydrophobicContact CB-CB 4.31Å; L176-A219 HydrophobicContact CD2-CB 4.05Å; L176-A219 HydrophobicContact CG-CB 4.35Å; L191-A219 HydrophobicContact CD2-CB 4.19Å; P216-A219 HydrophobicContact CB-CB 4.17Å; P216-A219 CarbonylContact O-C 3.59Å; P216-A219 PolarHBondContact O-N 2.94Å; P216-A219 VanDerWaalsContact O-N 3.11Å; A219-L222 PolarHBondContact O-N 2.66Å; A219-V223 WeakPolarHBondContact O-CB 3.29Å; A219-V223 VanDerWaalsContact O-CG2 3.26Å; A219-V223 WeakPolarHBondContact O-CG2 3.3Å; A219-V223 PolarHBondContact O-N 3.31Å
220T84.2Confident76.3Confident9 Ų966.6 Ų66.66%0.05535%0.347CS..Hα-helixtrans-62.9-45.7174-60.20000111.3P10 N13 P173 P216 I217 I218 V223 A224P10-T220 HydrophobicContact CB-CG2 4.05Å; P10-T220 HydrophobicContact CG-CG2 4.15Å; N13-T220 VanDerWaalsContact ND2-CG2 3.3Å; N13-T220 WeakPolarHBondContact ND2-CG2 3.2Å; P173-T220 WeakPolarHBondContact CB-OG1 3.49Å; P216-T220 PolarHBondContact O-N 3.44Å; P216-T220 PolarHBondContact O-OG1 3.36Å; P216-T220 VanDerWaalsContact O-OG1 3.04Å; I217-T220 WeakPolarHBondContact O-CB 3.3Å; I217-T220 PolarHBondContact O-N 3.09Å; I218-T220 VanDerWaalsContact C-N 3.29Å; I218-T220 PolarHBondContact O-N 3.03Å; T220-V223 PolarHBondContact O-N 3.17Å; T220-A224 VanDerWaalsContact O-CB 3.3Å; T220-A224 WeakPolarHBondContact O-CB 3.19Å; T220-A224 PolarHBondContact O-N 3.36Å
221I84.9Confident78.6Confident87 Ų8757 Ų5745%0.44631%0.314SS..Hα-helixtrans-62.8-45.2176.4-65.3167.2000110.4I217 I218 V223 A224 L225I217-I221 HydrophobicContact CG2-CD1 4.2Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.97Å; I218-I221 PolarHBondContact O-N 3.09Å; I221-V223 PolarHBondContact O-N 3.44Å; I221-A224 PolarHBondContact O-N 3.22Å; I221-L225 HydrophobicContact CG2-CD1 4.06Å; I221-L225 HydrophobicContact CG2-CG 4.42Å; I221-L225 WeakPolarHBondContact O-CG 3.23Å; I221-L225 PolarHBondContact O-N 2.91Å
222L88.2Confident80.6Confident87 Ų8762.5 Ų62.546%0.45533%0.329SS..Hα-helixtrans-58.6-49.5177.9-173.292.5000111.6L176 L191 I218 A219 L225 L226L176-L222 HydrophobicContact CD2-CD2 3.45Å; L176-L222 VanDerWaalsContact CD2-CD2 3.45Å; L191-L222 HydrophobicContact CD1-CD2 4.3Å; L191-L222 HydrophobicContact CD2-CB 4.4Å; L191-L222 HydrophobicContact CD2-CD2 4.18Å; I218-L222 PolarHBondContact O-N 2.92Å; A219-L222 PolarHBondContact O-N 2.66Å; L222-L225 PolarHBondContact O-N 3.5Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 PolarHBondContact O-N 2.74Å
223V89.1Confident82.4Confident20 Ų2060.2 Ų60.212%0.12131%0.312CS..Hα-helixtrans-62.8-44.5179.2170.10000110.4L169 P173 L176 A219 T220 I221 L225 L226 T227L169-V223 HydrophobicContact CD2-CG1 4.1Å; P173-V223 HydrophobicContact CG-CB 4.06Å; P173-V223 HydrophobicContact CG-CG1 4.38Å; P173-V223 HydrophobicContact CG-CG2 4Å; L176-V223 HydrophobicContact CD2-CG2 4.44Å; A219-V223 WeakPolarHBondContact O-CB 3.29Å; A219-V223 VanDerWaalsContact O-CG2 3.26Å; A219-V223 WeakPolarHBondContact O-CG2 3.3Å; A219-V223 PolarHBondContact O-N 3.31Å; T220-V223 PolarHBondContact O-N 3.17Å; I221-V223 PolarHBondContact O-N 3.44Å; V223-L225 PolarHBondContact O-N 3.44Å; V223-L226 PolarHBondContact O-N 3.05Å; V223-T227 PolarHBondContact O-N 2.98Å; V223-T227 PolarHBondContact O-OG1 2.68Å
224A86.6Confident82.9Confident7 Ų759.6 Ų59.66%0.05833%0.325CS..Hα-helixtrans-60.5-43.7177.900000112.3I6 P10 T220 I221 T227 V228I6-A224 HydrophobicContact CG2-CB 4.12Å; P10-A224 HydrophobicContact CG-CB 4.43Å; T220-A224 VanDerWaalsContact O-CB 3.3Å; T220-A224 WeakPolarHBondContact O-CB 3.19Å; T220-A224 PolarHBondContact O-N 3.36Å; I221-A224 PolarHBondContact O-N 3.22Å; A224-T227 PolarHBondContact O-N 2.93Å; A224-V228 WeakPolarHBondContact O-CG2 3.47Å; A224-V228 PolarHBondContact O-N 3.23Å
225L87.5Confident83.7Confident98 Ų9858.1 Ų58.151%0.51332%0.322SS..Hα-helixtrans-62.8-43.7175.3-72.1174.9000111.7I221 L222 V223 T227 V228 I229I221-L225 HydrophobicContact CG2-CD1 4.06Å; I221-L225 HydrophobicContact CG2-CG 4.42Å; I221-L225 WeakPolarHBondContact O-CG 3.23Å; I221-L225 PolarHBondContact O-N 2.91Å; L222-L225 PolarHBondContact O-N 3.5Å; V223-L225 PolarHBondContact O-N 3.44Å; L225-T227 VanDerWaalsContact C-N 3.34Å; L225-T227 PolarHBondContact O-N 2.83Å; L225-V228 PolarHBondContact O-N 2.89Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.43Å
226L88.9Confident84.2Confident89 Ų8963.9 Ų63.947%0.46635%0.347SS..Hα-helixtrans-61.8-42.7176.9-174.563.7000111.4L222 V223 V228 I229 F230L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 PolarHBondContact O-N 2.74Å; V223-L226 PolarHBondContact O-N 3.05Å; L226-V228 VanDerWaalsContact C-N 3.32Å; L226-V228 PolarHBondContact O-N 3.11Å; L226-I229 WeakPolarHBondContact O-CB 3.42Å; L226-I229 PolarHBondContact O-N 2.96Å; L226-F230 HydrophobicContact CD1-CD2 4.14Å; L226-F230 HydrophobicContact CD1-CE2 3.68Å; L226-F230 HydrophobicContact CD2-CE2 4.26Å; L226-F230 HydrophobicContact CG-CD2 3.98Å; L226-F230 HydrophobicContact CG-CE2 3.74Å; L226-F230 VanDerWaalsContact O-CD2 3.27Å; L226-F230 WeakPolarHBondContact O-CD2 3.46Å; L226-F230 PolarHBondContact O-N 3.5Å; L226-F230 VanDerWaalsContact O-N 3.09Å
227T87.8Confident84.4Confident46 Ų4667.6 Ų67.628%0.28237%0.367SS..Hα-helixtrans-60.3-41.4175.1-53.80000111.6I6 V223 A224 L225 I229 F230 I231I6-T227 HydrophobicContact CD1-CG2 3.85Å; V223-T227 PolarHBondContact O-N 2.98Å; V223-T227 PolarHBondContact O-OG1 2.68Å; A224-T227 PolarHBondContact O-N 2.93Å; L225-T227 VanDerWaalsContact C-N 3.34Å; L225-T227 PolarHBondContact O-N 2.83Å; T227-I229 VanDerWaalsContact C-N 3.35Å; T227-I229 PolarHBondContact O-N 3.15Å; T227-F230 PolarHBondContact O-N 3.22Å; T227-I231 HydrophobicContact CG2-CD1 4.28Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.45Å
228V86.5Confident84.6Confident22 Ų2266.8 Ų66.813%0.13336%0.363CS..Hα-helixtrans-62.2-41175.9170.60000111.5I6 A224 L225 L226 F230 I231 F232I6-V228 HydrophobicContact CG2-CG2 4.2Å; A224-V228 WeakPolarHBondContact O-CG2 3.47Å; A224-V228 PolarHBondContact O-N 3.23Å; L225-V228 PolarHBondContact O-N 2.89Å; L226-V228 VanDerWaalsContact C-N 3.32Å; L226-V228 PolarHBondContact O-N 3.11Å; V228-F230 PolarHBondContact O-N 3.22Å; V228-I231 WeakPolarHBondContact O-CB 3.46Å; V228-I231 PolarHBondContact O-N 2.92Å; V228-F232 HydrophobicContact CG1-CD2 4.07Å; V228-F232 HydrophobicContact CG1-CE2 3.57Å; V228-F232 WeakPolarHBondContact O-CD2 3.24Å; V228-F232 PolarHBondContact O-N 3.18Å
229I88.1Confident84.6Confident106 Ų10665.9 Ų65.954%0.54436%0.359SS..Hα-helixtrans-59.9-46.8175.6-66.3166.4000110.9L225 L226 T227 I231 F232L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.43Å; L226-I229 WeakPolarHBondContact O-CB 3.42Å; L226-I229 PolarHBondContact O-N 2.96Å; T227-I229 VanDerWaalsContact C-N 3.35Å; T227-I229 PolarHBondContact O-N 3.15Å; I229-I231 VanDerWaalsContact C-N 3.28Å; I229-I231 PolarHBondContact O-N 2.71Å; I229-F232 PolarHBondContact O-N 3.3Å; I229-F232 VanDerWaalsContact O-N 3.15Å
230F86.6Confident84.4Confident86 Ų8666.2 Ų66.238%0.37736%0.361SS..Hα-helixtrans-64.6-30.6178.9-81.5-70.3000113.4L226 T227 V228 F232 V233 L239L226-F230 HydrophobicContact CD1-CD2 4.14Å; L226-F230 HydrophobicContact CD1-CE2 3.68Å; L226-F230 HydrophobicContact CD2-CE2 4.26Å; L226-F230 HydrophobicContact CG-CD2 3.98Å; L226-F230 HydrophobicContact CG-CE2 3.74Å; L226-F230 VanDerWaalsContact O-CD2 3.27Å; L226-F230 WeakPolarHBondContact O-CD2 3.46Å; L226-F230 PolarHBondContact O-N 3.5Å; L226-F230 VanDerWaalsContact O-N 3.09Å; T227-F230 PolarHBondContact O-N 3.22Å; V228-F230 PolarHBondContact O-N 3.22Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F230-F232 PolarHBondContact O-N 3.49Å; F230-V233 WeakPolarHBondContact O-CB 3.46Å; F230-V233 PolarHBondContact O-N 3.27Å; F230-L239 HydrophobicContact CB-CD2 4.09Å; F230-L239 HydrophobicContact CD1-CD2 3.89Å; F230-L239 HydrophobicContact CG-CD2 4.44Å
231I85.6Confident84.2Confident49 Ų4967.5 Ų67.525%0.25137%0.366SS..Hα-helixtrans-62.8-38.5174.3-71.5165000111.3L2 I3 I6 T227 V228 I229 V233 G234L2-I231 HydrophobicContact CD2-CD1 3.7Å; L2-I231 HydrophobicContact CD2-CG1 4.12Å; L2-I231 HydrophobicContact CG-CD1 4.1Å; I3-I231 HydrophobicContact CG1-CG2 4.43Å; I6-I231 HydrophobicContact CD1-CD1 3.29Å; T227-I231 HydrophobicContact CG2-CD1 4.28Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.45Å; V228-I231 WeakPolarHBondContact O-CB 3.46Å; V228-I231 PolarHBondContact O-N 2.92Å; I229-I231 VanDerWaalsContact C-N 3.28Å; I229-I231 PolarHBondContact O-N 2.71Å; I231-V233 VanDerWaalsContact C-N 3.27Å; I231-V233 PolarHBondContact O-N 2.91Å; I231-G234 PolarHBondContact O-N 2.87Å
232F86Confident84Confident150 Ų15066 Ų6666%0.65836%0.358SS*.Hα-helixtrans-70.6-19179.1-74.1-67.2000114.1I3 V228 I229 F230 G234I3-F232 HydrophobicContact CD1-CZ 4.2Å; V228-F232 HydrophobicContact CG1-CD2 4.07Å; V228-F232 HydrophobicContact CG1-CE2 3.57Å; V228-F232 WeakPolarHBondContact O-CD2 3.24Å; V228-F232 PolarHBondContact O-N 3.18Å; I229-F232 PolarHBondContact O-N 3.3Å; I229-F232 VanDerWaalsContact O-N 3.15Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F230-F232 PolarHBondContact O-N 3.49Å; F232-G234 PolarHBondContact O-N 3.27Å
233V83.8Confident83.7Confident79 Ų7964 Ų6448%0.47936%0.355SS..THydrogen-bonded Turntrans-64.8-24.5174.2-1790000111.5F230 I231 G235 L238F230-V233 WeakPolarHBondContact O-CB 3.46Å; F230-V233 PolarHBondContact O-N 3.27Å; I231-V233 VanDerWaalsContact C-N 3.27Å; I231-V233 PolarHBondContact O-N 2.91Å; V233-G235 PolarHBondContact O-N 2.94Å; V233-L238 HydrophobicContact CG1-CD2 4.15Å
234G68.6Low83.2Confident67 Ų6763.1 Ų63.169%0.69135%0.349SS*.  trans79.67.4155.800000118.7I231 F232I231-G234 PolarHBondContact O-N 2.87Å; F232-G234 PolarHBondContact O-N 3.27Å
235G81.5Confident82.7Confident24 Ų2463.1 Ų63.125%0.24735%0.348CS..  trans-128.4110.8-179.900000113.7V233 N237 L238 L239V233-G235 PolarHBondContact O-N 2.94Å; G235-N237 PolarHBondContact O-N 3.32Å; G235-L238 PolarHBondContact O-N 3.47Å; G235-L239 WeakPolarHBondContact O-CB 3.15Å; G235-L239 VanDerWaalsContact O-CG 3.29Å; G235-L239 WeakPolarHBondContact O-CG 3.43Å; G235-L239 PolarHBondContact O-N 2.88Å
236F79.6Confident82.1Confident151 Ų15161.9 Ų61.966%0.66235%0.346SS*.Hα-helixtrans-57.8-48.9-179.5179.2-98.2000112.4L238 L239 A240F236-L238 VanDerWaalsContact C-N 3.28Å; F236-L238 PolarHBondContact O-N 3.26Å; F236-L239 PolarHBondContact O-N 2.92Å; F236-A240 WeakPolarHBondContact O-CB 3.39Å; F236-A240 PolarHBondContact O-N 2.99Å
237N81.6Confident81.4Confident84 Ų8462.2 Ų62.245%0.44934%0.342SS..Hα-helixtrans-62.7-35.9-179.4-66.3-3.1000112.1V80 G235 K241V80-N237 HydrophobicContact CG2-CB 4.37Å; G235-N237 PolarHBondContact O-N 3.32Å; N237-K241 VanDerWaalsContact O-CG 3.23Å; N237-K241 WeakPolarHBondContact O-CG 3.4Å; N237-K241 PolarHBondContact O-N 3.01Å
238L82.7Confident80.5Confident75 Ų7560.1 Ų60.139%0.39333%0.329SS..Hα-helixtrans-70.2-45.9175.4178.762000111.2V233 G235 F236 A240 K241 I242V233-L238 HydrophobicContact CG1-CD2 4.15Å; G235-L238 PolarHBondContact O-N 3.47Å; F236-L238 VanDerWaalsContact C-N 3.28Å; F236-L238 PolarHBondContact O-N 3.26Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 3.18Å; L238-K241 PolarHBondContact O-N 2.8Å; L238-I242 HydrophobicContact CD1-CD1 4Å; L238-I242 HydrophobicContact CD1-CG1 4.33Å; L238-I242 HydrophobicContact CG-CD1 3.87Å; L238-I242 WeakPolarHBondContact O-CG1 3.42Å; L238-I242 PolarHBondContact O-N 2.91Å
239L84.1Confident79.5Confident48 Ų4860.9 Ų60.925%0.25133%0.334SS..Hα-helixtrans-61.5-41.5177.9-73.1167.9000111.6F230 G235 F236 I242 A243F230-L239 HydrophobicContact CB-CD2 4.09Å; F230-L239 HydrophobicContact CD1-CD2 3.89Å; F230-L239 HydrophobicContact CG-CD2 4.44Å; G235-L239 WeakPolarHBondContact O-CB 3.15Å; G235-L239 VanDerWaalsContact O-CG 3.29Å; G235-L239 WeakPolarHBondContact O-CG 3.43Å; G235-L239 PolarHBondContact O-N 2.88Å; F236-L239 PolarHBondContact O-N 2.92Å; L239-I242 PolarHBondContact O-N 3.18Å; L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.28Å; L239-A243 PolarHBondContact O-N 2.8Å
240A80.5Confident78.2Confident7 Ų759 Ų596%0.05832%0.324CS..Hα-helixtrans-61-45.4175.300000111.5V80 F236 L238 I242 A243 T244V80-A240 HydrophobicContact CG1-CB 4.49Å; F236-A240 WeakPolarHBondContact O-CB 3.39Å; F236-A240 PolarHBondContact O-N 2.99Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 3.18Å; A240-I242 PolarHBondContact O-N 3.49Å; A240-A243 PolarHBondContact O-N 2.92Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 VanDerWaalsContact O-N 3.14Å; A240-T244 PolarHBondContact O-OG1 3.26Å; A240-T244 VanDerWaalsContact O-OG1 3.11Å
241K79.5Confident76.6Confident36 Ų3659.1 Ų59.116%0.15733%0.331CS..Hα-helixtrans-60.5-44.9175.3-71.7171.2-170.9-1790111.4N237 L238 L245 I309N237-K241 VanDerWaalsContact O-CG 3.23Å; N237-K241 WeakPolarHBondContact O-CG 3.4Å; N237-K241 PolarHBondContact O-N 3.01Å; L238-K241 PolarHBondContact O-N 2.8Å; K241-L245 WeakPolarHBondContact O-CG 3.45Å; K241-I309 HydrophobicContact CB-CG2 4.33Å; K241-I309 HydrophobicContact CG-CG2 4.11Å
242I82.1Confident74.9Confident55 Ų5564.4 Ų64.428%0.28235%0.349SS..Hα-helixtrans-66.8-43.4179-67.4168.7000111.5L238 L239 A240 T244 L245 P246L238-I242 HydrophobicContact CD1-CD1 4Å; L238-I242 HydrophobicContact CD1-CG1 4.33Å; L238-I242 HydrophobicContact CG-CD1 3.87Å; L238-I242 WeakPolarHBondContact O-CG1 3.42Å; L238-I242 PolarHBondContact O-N 2.91Å; L239-I242 PolarHBondContact O-N 3.18Å; A240-I242 PolarHBondContact O-N 3.49Å; I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 PolarHBondContact O-N 2.75Å; I242-L245 WeakPolarHBondContact O-CB 3.21Å; I242-L245 PolarHBondContact O-N 3.2Å; I242-P246 VanDerWaalsContact O-CD 3.32Å; I242-P246 WeakPolarHBondContact O-CD 3.49Å
243A81.3Confident72.9Confident46 Ų4663.3 Ų63.338%0.3835%0.345SS..Hα-helixtrans-64-32.9-178.100000112.5L239 A240 L245 P246 Y247L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.28Å; L239-A243 PolarHBondContact O-N 2.8Å; A240-A243 PolarHBondContact O-N 2.92Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 3.5Å; A243-P246 WeakPolarHBondContact O-CD 3.12Å; A243-Y247 VanDerWaalsContact O-CD2 3.3Å; A243-Y247 WeakPolarHBondContact O-CD2 3.25Å
244T77.3Confident70.5Confident0 Ų061.8 Ų61.80%033%0.333CS..Hα-helixtrans-63.1-33.4176.4-73.80000113.1G79 F82 S83 A240 I242 Y247 L248 I309G79-T244 PolarHBondContact O-OG1 3.05Å; F82-T244 HydrophobicContact CB-CG2 4.27Å; F82-T244 HydrophobicContact CD1-CG2 3.23Å; F82-T244 HydrophobicContact CE1-CG2 3.82Å; F82-T244 HydrophobicContact CG-CG2 4Å; S83-T244 PolarHBondContact N-OG1 3.06Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 VanDerWaalsContact O-N 3.14Å; A240-T244 PolarHBondContact O-OG1 3.26Å; A240-T244 VanDerWaalsContact O-OG1 3.11Å; I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 PolarHBondContact O-N 2.75Å; T244-Y247 PolarHBondContact O-N 3.01Å; T244-L248 HydrophobicContact CG2-CD1 3.48Å; T244-L248 VanDerWaalsContact CG2-CD1 3.48Å; T244-L248 HydrophobicContact CG2-CG 4.03Å; T244-L248 PolarHBondContact O-N 3.35Å; T244-I309 HydrophobicContact CG2-CD1 4.22Å
245L77.6Confident69.1Low8 Ų861.2 Ų61.24%0.04232%0.317CS..Hα-helixtrans-63.6-48.9-167.1-71.1176000114.8K241 I242 A243 Y247 L248 T249 I306 C313 L317K241-L245 WeakPolarHBondContact O-CG 3.45Å; I242-L245 WeakPolarHBondContact O-CB 3.21Å; I242-L245 PolarHBondContact O-N 3.2Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 3.5Å; L245-Y247 VanDerWaalsContact C-N 3.26Å; L245-Y247 PolarHBondContact O-N 3.44Å; L245-L248 PolarHBondContact O-N 3.23Å; L245-T249 PolarHBondContact O-N 3.5Å; L245-T249 PolarHBondContact O-OG1 3.27Å; L245-I306 HydrophobicContact CD2-CB 4.09Å; L245-I306 HydrophobicContact CD2-CG1 3.92Å; L245-I306 HydrophobicContact CD2-CG2 3.57Å; L245-C313 HydrophobicContact CD1-CB 3.33Å; L245-L317 HydrophobicContact CB-CD2 3.79Å
246P75.1Confident67Low72 Ų7264 Ų6447%0.46832%0.324SS..Hα-helixtrans-60.4-35.1177.4-24.935.6000113.2I242 A243 T249I242-P246 VanDerWaalsContact O-CD 3.32Å; I242-P246 WeakPolarHBondContact O-CD 3.49Å; A243-P246 WeakPolarHBondContact O-CD 3.12Å; P246-T249 PolarHBondContact O-N 3.3Å
247Y72.6Confident64.9Low96 Ų9661.6 Ų61.638%0.37632%0.321SS..Hα-helixtrans-69.6-36.3179.9-73.5-83.7000112.6T86 L89 A243 T244 L245 T249 I250T86-Y247 HydrophobicContact CG2-CD2 3.61Å; T86-Y247 HydrophobicContact CG2-CE2 4.09Å; T86-Y247 HydrophobicContact CG2-CG 3.99Å; T86-Y247 WeakPolarHBondContact O-CD1 3.49Å; T86-Y247 WeakPolarHBondContact O-CE1 3.27Å; L89-Y247 HydrophobicContact CD1-CD1 4.35Å; A243-Y247 VanDerWaalsContact O-CD2 3.3Å; A243-Y247 WeakPolarHBondContact O-CD2 3.25Å; T244-Y247 PolarHBondContact O-N 3.01Å; L245-Y247 VanDerWaalsContact C-N 3.26Å; L245-Y247 PolarHBondContact O-N 3.44Å; Y247-T249 VanDerWaalsContact C-N 3.29Å; Y247-T249 PolarHBondContact O-N 2.92Å; Y247-I250 HydrophobicContact CD1-CD1 4.39Å; Y247-I250 PolarHBondContact O-N 3.49Å
248L70.2Confident63Low2 Ų261.7 Ų61.71%0.0132%0.319CS..Hα-helixtrans-69-28.2174.6-72.8173.4000112.4F82 T244 L245 I250 N302 L305 I306 I309F82-L248 HydrophobicContact CD1-CG 4.44Å; F82-L248 HydrophobicContact CE1-CD1 4.44Å; F82-L248 HydrophobicContact CE1-CD2 3.73Å; F82-L248 HydrophobicContact CE1-CG 3.77Å; F82-L248 HydrophobicContact CE2-CD2 3.74Å; F82-L248 HydrophobicContact CZ-CD2 3.28Å; F82-L248 HydrophobicContact CZ-CG 3.87Å; T244-L248 HydrophobicContact CG2-CD1 3.48Å; T244-L248 VanDerWaalsContact CG2-CD1 3.48Å; T244-L248 HydrophobicContact CG2-CG 4.03Å; T244-L248 PolarHBondContact O-N 3.35Å; L245-L248 PolarHBondContact O-N 3.23Å; L248-I250 PolarHBondContact O-N 3.41Å; L248-N302 HydrophobicContact CB-CB 4.26Å; L248-N302 HydrophobicContact CD2-CB 4.19Å; L248-N302 WeakPolarHBondContact CD2-OD1 3.15Å; L248-N302 WeakPolarHBondContact O-CB 3.33Å; L248-N302 PolarHBondContact O-ND2 3.06Å; L248-L305 HydrophobicContact CD1-CB 4.39Å; L248-I306 HydrophobicContact CB-CD1 3.47Å; L248-I306 VanDerWaalsContact CB-CD1 3.47Å; L248-I306 HydrophobicContact CB-CG1 3.53Å; L248-I306 HydrophobicContact CD1-CG1 3.63Å; L248-I306 HydrophobicContact CG-CG1 4.23Å; L248-I309 HydrophobicContact CD1-CD1 4.06Å
249T65.5Low60.6Low38 Ų3863.8 Ų63.823%0.23334%0.335CS..THydrogen-bonded Turntrans-72.9-7.6-178.9-50.80000113.4L245 P246 Y247 V251 L317 F321L245-T249 PolarHBondContact O-N 3.5Å; L245-T249 PolarHBondContact O-OG1 3.27Å; P246-T249 PolarHBondContact O-N 3.3Å; Y247-T249 VanDerWaalsContact C-N 3.29Å; Y247-T249 PolarHBondContact O-N 2.92Å; T249-V251 VanDerWaalsContact C-N 3.35Å; T249-V251 PolarHBondContact O-N 3.39Å; T249-L317 WeakPolarHBondContact OG1-CD2 3.28Å; T249-F321 HydrophobicContact CG2-CD2 4.14Å; T249-F321 HydrophobicContact CG2-CE2 4.48Å; T249-F321 HydrophobicContact CG2-CG 4.44Å
250I60.8Low58.2Low65 Ų6569.7 Ų69.733%0.33336%0.361SS..  trans-69.793.6180-59.1175.6000109.1L89 Y247 L248L89-I250 HydrophobicContact CD1-CD1 3.18Å; Y247-I250 HydrophobicContact CD1-CD1 4.39Å; Y247-I250 PolarHBondContact O-N 3.49Å; L248-I250 PolarHBondContact O-N 3.41Å
251V53.8Low56.1Low89 Ų8974.7 Ų74.754%0.53939%0.393SS..  trans-92.1112172.6178.90000108.1T249 K253 A299T249-V251 VanDerWaalsContact C-N 3.35Å; T249-V251 PolarHBondContact O-N 3.39Å; V251-K253 PolarHBondContact O-N 2.86Å; V251-A299 HydrophobicContact CG1-CB 3.91Å; V251-A299 HydrophobicContact CG2-CB 4.01Å
252Y49.7Very low54.3Low160 Ų16082.2 Ų82.263%0.62743%0.426SS*.PPolyproline II helixtrans-62.7126174.3-70.2-79.6000110.2L254Y252-L254 PolarHBondContact O-N 2.97Å
253K42.6Very low52.2Low128 Ų12882.8 Ų82.856%0.55743%0.434SS*.PPolyproline II helixtrans-56.5122.9170.2-169.4174.6-174.7179.30108V251 G338V251-K253 PolarHBondContact O-N 2.86Å; K253-G338 PolarHBondContact NZ-O 3.3Å
254L34.4Very low50.2Low47 Ų4784.3 Ų84.325%0.24644%0.442CS..PPolyproline II helixtrans-54.3127176.2-68175.3000108.7Y252 Q256 R292 A295 V351Y252-L254 PolarHBondContact O-N 2.97Å; L254-Q256 PolarHBondContact O-N 3.35Å; L254-Q256 VanDerWaalsContact O-N 3.08Å; L254-R292 HydrophobicContact CD2-CB 3.86Å; L254-R292 WeakPolarHBondContact CD2-O 3.45Å; L254-A295 HydrophobicContact CD2-CB 4.19Å; L254-V351 HydrophobicContact CD1-CG2 4.43Å
255P38.7Very low48.8Very low54 Ų5490 Ų9035%0.35148%0.479SS..PPolyproline II helixtrans-63117.4173.924.5-31.3000108.2V257P255-V257 PolarHBondContact O-N 3.48Å
256Q37.5Very low47.2Very low83 Ų8393.2 Ų93.239%0.38851%0.513SS..PPolyproline II helixtrans-64.4128.6165.6-64.7-65.8-14.300107L254 E258 V339L254-Q256 PolarHBondContact O-N 3.35Å; L254-Q256 VanDerWaalsContact O-N 3.08Å; Q256-E258 PolarHBondContact O-N 3.06Å; Q256-V339 HydrophobicContact CG-CG2 4.44Å
257V36.3Very low45.6Very low100 Ų10093.1 Ų93.161%0.60651%0.512SS*.  trans-78.3104.4176.9171.30000106.5P255 T259P255-V257 PolarHBondContact O-N 3.48Å; V257-T259 HydrophobicContact CG1-CG2 4.1Å
258E40.6Very low44.2Very low87 Ų8795 Ų9541%0.40753%0.527SS..  trans-100.9112.3170.9-72.7175.4-171.800108.5Q256 E260 I278Q256-E258 PolarHBondContact O-N 3.06Å; E258-E260 PolarHBondContact O-N 3.24Å; E258-I278 VanDerWaalsContact OE2-CG2 3.27Å; E258-I278 WeakPolarHBondContact OE2-CG2 3.2Å
259T31.9Very low42.7Very low119 Ų119103.5 Ų103.573%0.7357%0.567SS**  trans-9476.8176.947.80000109.3V257V257-T259 HydrophobicContact CG1-CG2 4.1Å
260E34.3Very low41.4Very low171 Ų171105.7 Ų105.780%0.79959%0.589SS**  trans-128.6125.7167.3-73-65.1161.100109.8E258E258-E260 PolarHBondContact O-N 3.24Å
261P37.3Very low40.4Very low112 Ų112105.5 Ų105.573%0.72760%0.597SS**PPolyproline II helixtrans-72.7155.2-179.130.6-31.9000111.3
262F40.3Very low39.6Very low194 Ų194105.6 Ų105.685%0.85160%0.602SS**PPolyproline II helixtrans-58.1131.2-179.9-149.5-93.6000110.9S264F262-S264 PolarHBondContact O-N 3.39Å
263P39.8Very low39Very low67 Ų67105.6 Ų105.644%0.43561%0.608SS.*PPolyproline II helixtrans-66.5135.2174.3-4.415.5000110.2T267P263-T267 WeakPolarHBondContact CB-OG1 3.5Å
264S39.1Very low38.6Very low79 Ų79103.6 Ų103.655%0.55262%0.623SS**PPolyproline II helixtrans-66153.3174.242.50000111.1F262 G266 T267F262-S264 PolarHBondContact O-N 3.39Å; S264-G266 PolarHBondContact O-N 3.39Å; S264-T267 PolarHBondContact O-N 3.3Å; S264-T267 PolarHBondContact O-OG1 2.94Å
265P47Very low38.3Very low120 Ų120110.2 Ų110.278%0.77965%0.65SS**THydrogen-bonded Turntrans-54.5-15.4-171.2-26.334.1000116.2
266G44.4Very low38Very low74 Ų74114.1 Ų114.176%0.76366%0.663SS**THydrogen-bonded Turntrans-87.3-1178.800000116.5S264S264-G266 PolarHBondContact O-N 3.39Å
267T41.9Very low37.6Very low71 Ų71117 Ų11744%0.43668%0.677SS.*  trans-100.52.7-179.844.80000114.3P263 S264 Q269 A270P263-T267 WeakPolarHBondContact CB-OG1 3.5Å; S264-T267 PolarHBondContact O-N 3.3Å; S264-T267 PolarHBondContact O-OG1 2.94Å; T267-Q269 PolarHBondContact O-N 2.88Å; T267-Q269 VanDerWaalsContact O-N 3.16Å; T267-A270 PolarHBondContact O-N 3.45Å
268L43.3Very low37.4Very low135 Ų135117.5 Ų117.571%0.70768%0.675SS**G310 helixtrans-65.8-16.9-176.4-70.9168000114.4
269Q37.6Very low37.1Very low180 Ų180122.1 Ų122.184%0.84170%0.699SS**G310 helixtrans-83.6-20.9179.8-117.3154.71.100114.1T267 A271T267-Q269 PolarHBondContact O-N 2.88Å; T267-Q269 VanDerWaalsContact O-N 3.16Å; Q269-A271 VanDerWaalsContact C-N 3.28Å
270A38Very low37.4Very low85 Ų85118.7 Ų118.770%0.70269%0.687SS**G310 helixtrans-84-2.1173.300000113.2T267 S272T267-A270 PolarHBondContact O-N 3.45Å; A270-S272 VanDerWaalsContact C-N 3.3Å; A270-S272 PolarHBondContact O-N 2.96Å
271A40.5Very low38Very low60 Ų60115.4 Ų115.450%0.49667%0.67SS.*G310 helixtrans-85.43.7179.100000113.8Q269Q269-A271 VanDerWaalsContact C-N 3.28Å
272S37.3Very low38.3Very low91 Ų91120.1 Ų120.164%0.63667%0.673SS**G310 helixtrans-81.6-11.9177.865.30000113.9A270A270-S272 VanDerWaalsContact C-N 3.3Å; A270-S272 PolarHBondContact O-N 2.96Å
273E36.5Very low38.9Very low161 Ų161120.4 Ų120.475%0.75267%0.674SS**SBendtrans-100.288.8176-68.4-176170.800111.5K275E273-K275 PolarHBondContact O-N 3.36Å
274G33.3Very low39.9Very low85 Ų85118.8 Ų118.888%0.87667%0.665SS**SBendtrans57.1-5.6146.900000121.5Q276G274-Q276 PolarHBondContact O-N 3.47Å
275K28.6Very low41.3Very low187 Ų187122.6 Ų122.681%0.81367%0.667SS**  trans-84.9101.4179.5-78.9-178.8176.3179.10109.6E273 Q277E273-K275 PolarHBondContact O-N 3.36Å; K275-Q277 VanDerWaalsContact C-N 3.3Å; K275-Q277 PolarHBondContact O-N 3.26Å
276Q33Very low42.2Very low136 Ų136119.7 Ų119.764%0.63664%0.641SS**  trans-60.897.9160.5-87.1175.1-36.900108.6G274 I278 Y336G274-Q276 PolarHBondContact O-N 3.47Å; Q276-I278 PolarHBondContact O-N 2.8Å; Q276-I278 VanDerWaalsContact O-N 3.14Å; Q276-Y336 PolarHBondContact NE2-OH 3.01Å; Q276-Y336 PolarHBondContact OE1-OH 3.27Å
277Q28.3Very low43Very low142 Ų142117.9 Ų117.966%0.66462%0.617SS**  trans-62.8112.8170.5-72.1179.8-16.200108.2K275 M279K275-Q277 VanDerWaalsContact C-N 3.3Å; K275-Q277 PolarHBondContact O-N 3.26Å; Q277-M279 PolarHBondContact O-N 3.27Å; Q277-M279 VanDerWaalsContact O-N 3.11Å
278I33Very low43.9Very low112 Ų112124.5 Ų124.557%0.57464%0.635SS**  trans-63.1112.8170.1-58.2175.8000106.2E258 Q276 G280E258-I278 VanDerWaalsContact OE2-CG2 3.27Å; E258-I278 WeakPolarHBondContact OE2-CG2 3.2Å; Q276-I278 PolarHBondContact O-N 2.8Å; Q276-I278 VanDerWaalsContact O-N 3.14Å; I278-G280 PolarHBondContact O-N 3.46Å
279M33.5Very low44.9Very low184 Ų184122.4 Ų122.491%0.90662%0.623SS**  trans-72.5105.7-173.1-159.8163.69300109Q277Q277-M279 PolarHBondContact O-N 3.27Å; Q277-M279 VanDerWaalsContact O-N 3.11Å
280G37.6Very low46.3Very low46 Ų46116.8 Ų116.847%0.47460%0.602SS.*  trans-54.5143.7176.900000112.5I278 R282I278-G280 PolarHBondContact O-N 3.46Å; G280-R282 PolarHBondContact O-N 3.04Å; G280-R282 VanDerWaalsContact O-N 3.09Å
281K46.9Very low47.7Very low102 Ų102116.2 Ų116.244%0.44359%0.587SS.*  trans-58.9114.6-179.2-167-174-175.1-164.40109.8K283 S287 T290K281-K283 PolarHBondContact O-N 3.34Å; K281-S287 WeakPolarHBondContact CE-OG 3.3Å; K281-S287 PolarHBondContact NZ-OG 3.19Å; K281-T290 PolarHBondContact NZ-OG1 2.94Å
282R45Very low49Very low211 Ų211118.3 Ų118.380%0.79658%0.582SS**  trans-60.4124.3172.2-166.8-179.5-76.3-152.10108.2G280 S284G280-R282 PolarHBondContact O-N 3.04Å; G280-R282 VanDerWaalsContact O-N 3.09Å; R282-S284 PolarHBondContact O-N 2.54Å
283K51.8Low50.7Low200 Ų200120 Ų12087%0.8757%0.574SS**  trans-60.1101.7174.9-70-175.4179.6-1800109K281K281-K283 PolarHBondContact O-N 3.34Å
284S60.6Low52.5Low34 Ų34117.2 Ų117.224%0.23856%0.563CS.*  trans-105.7163171.8620000110R282 Y286 S287R282-S284 PolarHBondContact O-N 2.54Å; S284-Y286 VanDerWaalsContact C-N 3.28Å; S284-Y286 PolarHBondContact O-N 3.25Å; S284-Y286 WeakPolarHBondContact OG-CD1 3.46Å; S284-Y286 WeakPolarHBondContact OG-CD2 3.18Å; S284-Y286 WeakPolarHBondContact OG-CE1 3.44Å; S284-Y286 WeakPolarHBondContact OG-CE2 3.4Å; S284-S287 WeakPolarHBondContact O-CB 3.26Å; S284-S287 PolarHBondContact O-N 3.06Å; S284-S287 PolarHBondContact OG-N 3.39Å
285W69.2Low54.4Low158 Ų158114.6 Ų114.660%0.59853%0.533SS*.G310 helixtrans-56.7-41.2-179.880.6-85.8000112.6L110 S287 Y288 I289L110-W285 HydrophobicContact CD1-CH2 3.63Å; L110-W285 HydrophobicContact CD1-CZ2 3.71Å; W285-S287 PolarHBondContact O-N 3.23Å; W285-Y288 PolarHBondContact O-N 3.42Å; W285-I289 HydrophobicContact CE3-CD1 4.32Å; W285-I289 HydrophobicContact CH2-CD1 4.2Å; W285-I289 HydrophobicContact CZ3-CD1 3.69Å
286Y66.3Low56.6Low60 Ų60108 Ų10824%0.23551%0.507CS..G310 helixtrans-70-16.5177.863.7-96.8000112.9P106 S284 Y288 I289 T290P106-Y286 HydrophobicContact CB-CD1 3.8Å; P106-Y286 HydrophobicContact CB-CE1 4.11Å; P106-Y286 HydrophobicContact CB-CG 4.18Å; P106-Y286 HydrophobicContact CG-CD1 3.77Å; P106-Y286 HydrophobicContact CG-CE1 3.63Å; S284-Y286 VanDerWaalsContact C-N 3.28Å; S284-Y286 PolarHBondContact O-N 3.25Å; S284-Y286 WeakPolarHBondContact OG-CD1 3.46Å; S284-Y286 WeakPolarHBondContact OG-CD2 3.18Å; S284-Y286 WeakPolarHBondContact OG-CE1 3.44Å; S284-Y286 WeakPolarHBondContact OG-CE2 3.4Å; Y286-Y288 PolarHBondContact O-N 3.26Å; Y286-Y288 VanDerWaalsContact O-N 3.15Å; Y286-I289 PolarHBondContact O-N 2.91Å; Y286-T290 HydrophobicContact CD2-CG2 4.48Å; Y286-T290 PolarHBondContact O-N 3.23Å
287S60.7Low58.9Low36 Ų36106 Ų10625%0.25250%0.504SS..G310 helixtrans-61.3-24.1176.8-169.70000112.2K281 S284 W285 T290K281-S287 WeakPolarHBondContact CE-OG 3.3Å; K281-S287 PolarHBondContact NZ-OG 3.19Å; S284-S287 WeakPolarHBondContact O-CB 3.26Å; S284-S287 PolarHBondContact O-N 3.06Å; S284-S287 PolarHBondContact OG-N 3.39Å; W285-S287 PolarHBondContact O-N 3.23Å; S287-T290 VanDerWaalsContact CA-OG1 3.3Å; S287-T290 WeakPolarHBondContact CA-OG1 3.49Å; S287-T290 PolarHBondContact O-OG1 2.89Å
288Y61Low61.4Low210 Ų210100.4 Ų100.482%0.82449%0.485SS*.THydrogen-bonded Turntrans-70.1-37.9174.7-174.6-99.4000112.5W285 Y286 T290W285-Y288 PolarHBondContact O-N 3.42Å; Y286-Y288 PolarHBondContact O-N 3.26Å; Y286-Y288 VanDerWaalsContact O-N 3.15Å; Y288-T290 VanDerWaalsContact C-N 3.33Å
289I65.2Low63.5Low90 Ų9096 Ų9646%0.46247%0.465SS..THydrogen-bonded Turntrans-73.8-29179.2-55.5169.3000110.4W285 Y286 N291W285-I289 HydrophobicContact CE3-CD1 4.32Å; W285-I289 HydrophobicContact CH2-CD1 4.2Å; W285-I289 HydrophobicContact CZ3-CD1 3.69Å; Y286-I289 PolarHBondContact O-N 2.91Å; I289-N291 PolarHBondContact O-N 3.43Å
290T66.2Low65.9Low63 Ų6391.9 Ų91.939%0.38745%0.446SS..  trans-79.560.5178.759.60000113.2K281 Y286 S287 Y288K281-T290 PolarHBondContact NZ-OG1 2.94Å; Y286-T290 HydrophobicContact CD2-CG2 4.48Å; Y286-T290 PolarHBondContact O-N 3.23Å; S287-T290 VanDerWaalsContact CA-OG1 3.3Å; S287-T290 WeakPolarHBondContact CA-OG1 3.49Å; S287-T290 PolarHBondContact O-OG1 2.89Å; Y288-T290 VanDerWaalsContact C-N 3.33Å
291N68.1Low68.2Low72 Ų7294.5 Ų94.539%0.38545%0.448SS..  trans-76.2138.7171.9-172.1-18.4000110.3I289 W293 I294 A295I289-N291 PolarHBondContact O-N 3.43Å; N291-W293 PolarHBondContact O-N 2.92Å; N291-W293 PolarHBondContact OD1-N 3.46Å; N291-W293 VanDerWaalsContact OD1-N 3.16Å; N291-I294 HydrophobicContact CB-CB 4.23Å; N291-I294 HydrophobicContact CB-CD1 3.72Å; N291-I294 HydrophobicContact CB-CG1 3.89Å; N291-I294 PolarHBondContact O-N 3.47Å; N291-I294 VanDerWaalsContact O-N 3.11Å; N291-A295 PolarHBondContact O-N 3.48Å
292R67.9Low70Confident105 Ų10591.4 Ų91.440%0.39644%0.436SS..Hα-helixtrans-52.4-38.1175.761.1173.268174.81.4112.9L254 A295 L296L254-R292 HydrophobicContact CD2-CB 3.86Å; L254-R292 WeakPolarHBondContact CD2-O 3.45Å; R292-A295 PolarHBondContact O-N 3.27Å; R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 3.18Å
293W72.2Confident71.8Confident125 Ų12584.7 Ų84.747%0.47342%0.419SS..Hα-helixtrans-72.8-38.3-179.4-65.5109.2000112.1N291 A295 L296 V297 V351N291-W293 PolarHBondContact O-N 2.92Å; N291-W293 PolarHBondContact OD1-N 3.46Å; N291-W293 VanDerWaalsContact OD1-N 3.16Å; W293-A295 VanDerWaalsContact C-N 3.33Å; W293-L296 PolarHBondContact O-N 3.21Å; W293-V297 WeakPolarHBondContact O-CB 3.19Å; W293-V297 VanDerWaalsContact O-CG2 3.3Å; W293-V297 WeakPolarHBondContact O-CG2 3.44Å; W293-V297 PolarHBondContact O-N 2.79Å; W293-V351 HydrophobicContact CH2-CG1 3.53Å; W293-V351 WeakPolarHBondContact CH2-O 3.31Å; W293-V351 WeakPolarHBondContact CZ2-O 3.4Å; W293-V351 HydrophobicContact CZ3-CG1 3.53Å
294I75Confident73.5Confident103 Ų10378.1 Ų78.153%0.52840%0.395SS..Hα-helixtrans-63.8-43175.2-64.5172.5000109.7N291 L296 V297 G298N291-I294 HydrophobicContact CB-CB 4.23Å; N291-I294 HydrophobicContact CB-CD1 3.72Å; N291-I294 HydrophobicContact CB-CG1 3.89Å; N291-I294 PolarHBondContact O-N 3.47Å; N291-I294 VanDerWaalsContact O-N 3.11Å; I294-L296 PolarHBondContact O-N 2.95Å; I294-V297 PolarHBondContact O-N 2.93Å; I294-G298 PolarHBondContact O-N 3.24Å
295A72.1Confident74.7Confident30 Ų3077.5 Ų77.525%0.24839%0.389CS..Hα-helixtrans-62.7-41.3175.600000112.4L254 N291 R292 W293 G298 A299L254-A295 HydrophobicContact CD2-CB 4.19Å; N291-A295 PolarHBondContact O-N 3.48Å; R292-A295 PolarHBondContact O-N 3.27Å; W293-A295 VanDerWaalsContact C-N 3.33Å; A295-G298 PolarHBondContact O-N 3.43Å; A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 3.07Å
296L74.2Confident75.5Confident48 Ų4870.5 Ų70.525%0.25136%0.363SS..Hα-helixtrans-66.6-44.4177.2-177.3145.8000112.1R292 W293 I294 G298 A299 I300 V351R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 3.18Å; W293-L296 PolarHBondContact O-N 3.21Å; I294-L296 PolarHBondContact O-N 2.95Å; L296-G298 VanDerWaalsContact C-N 3.33Å; L296-G298 PolarHBondContact O-N 2.92Å; L296-A299 PolarHBondContact O-N 3.28Å; L296-I300 HydrophobicContact CD2-CD1 3.53Å; L296-I300 HydrophobicContact CD2-CG1 4.39Å; L296-I300 HydrophobicContact CG-CD1 4.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.02Å; L296-V351 HydrophobicContact CD1-CG1 3.95Å; L296-V351 HydrophobicContact CD1-CG2 3.9Å
297V81.5Confident76.5Confident94 Ų9471.7 Ų71.757%0.5737%0.37SS*.Hα-helixtrans-61-44.11751700000110.4W293 I294 A299 I300 L301W293-V297 WeakPolarHBondContact O-CB 3.19Å; W293-V297 VanDerWaalsContact O-CG2 3.3Å; W293-V297 WeakPolarHBondContact O-CG2 3.44Å; W293-V297 PolarHBondContact O-N 2.79Å; I294-V297 PolarHBondContact O-N 2.93Å; V297-A299 PolarHBondContact O-N 3.48Å; V297-I300 PolarHBondContact O-N 3.34Å; V297-L301 VanDerWaalsContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CB 3.38Å; V297-L301 PolarHBondContact O-N 3.5Å
298G80.8Confident77.8Confident26 Ų2675.5 Ų75.527%0.26838%0.382SS..Hα-helixtrans-60.8-41.8175.300000112.9I294 A295 L296 L301 N302I294-G298 PolarHBondContact O-N 3.24Å; A295-G298 PolarHBondContact O-N 3.43Å; L296-G298 VanDerWaalsContact C-N 3.33Å; L296-G298 PolarHBondContact O-N 2.92Å; G298-L301 PolarHBondContact O-N 3.46Å; G298-N302 WeakPolarHBondContact O-CB 3.25Å; G298-N302 VanDerWaalsContact O-CG 3.25Å; G298-N302 PolarHBondContact O-N 3.35Å; G298-N302 PolarHBondContact O-OD1 3.31Å
299A76.9Confident78.9Confident19 Ų1966 Ų6616%0.15735%0.345CS..Hα-helixtrans-63.9-45.7176.400000112.3V251 A295 L296 V297 N302 V303V251-A299 HydrophobicContact CG1-CB 3.91Å; V251-A299 HydrophobicContact CG2-CB 4.01Å; A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 3.07Å; L296-A299 PolarHBondContact O-N 3.28Å; V297-A299 PolarHBondContact O-N 3.48Å; A299-N302 PolarHBondContact O-N 3.15Å; A299-V303 WeakPolarHBondContact O-CG2 3.49Å; A299-V303 PolarHBondContact O-N 3.01Å
300I83.9Confident79.8Confident98 Ų9863.3 Ų63.350%0.50333%0.332SS..Hα-helixtrans-62.4-47176.6-67.7173.8000110.2L296 V297 N302 V303 V304L296-I300 HydrophobicContact CD2-CD1 3.53Å; L296-I300 HydrophobicContact CD2-CG1 4.39Å; L296-I300 HydrophobicContact CG-CD1 4.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.02Å; V297-I300 PolarHBondContact O-N 3.34Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 2.98Å; I300-V303 PolarHBondContact O-N 2.89Å; I300-V304 HydrophobicContact CG2-CG2 4.26Å; I300-V304 WeakPolarHBondContact O-CB 3.34Å; I300-V304 VanDerWaalsContact O-CG2 3.28Å; I300-V304 WeakPolarHBondContact O-CG2 3.43Å; I300-V304 PolarHBondContact O-N 3.18Å
301L86.6Confident80.8Confident100 Ų10067.4 Ų67.452%0.52434%0.341SS..Hα-helixtrans-56.4-47178.1-172.980.8000110.9V297 G298 V303 V304 L305V297-L301 VanDerWaalsContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CB 3.38Å; V297-L301 PolarHBondContact O-N 3.5Å; G298-L301 PolarHBondContact O-N 3.46Å; L301-V303 PolarHBondContact O-N 3.48Å; L301-V304 PolarHBondContact O-N 3Å; L301-L305 HydrophobicContact CD2-CD1 4.35Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.13Å; L301-L305 PolarHBondContact O-N 3.47Å
302N84.8Confident81.8Confident37 Ų3768.4 Ų68.420%0.19834%0.343CS..Hα-helixtrans-62.1-43.8178.9-75.3-5.7000112.6L248 G298 A299 I300 L305 I306L248-N302 HydrophobicContact CB-CB 4.26Å; L248-N302 HydrophobicContact CD2-CB 4.19Å; L248-N302 WeakPolarHBondContact CD2-OD1 3.15Å; L248-N302 WeakPolarHBondContact O-CB 3.33Å; L248-N302 PolarHBondContact O-ND2 3.06Å; G298-N302 WeakPolarHBondContact O-CB 3.25Å; G298-N302 VanDerWaalsContact O-CG 3.25Å; G298-N302 PolarHBondContact O-N 3.35Å; G298-N302 PolarHBondContact O-OD1 3.31Å; A299-N302 PolarHBondContact O-N 3.15Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 2.98Å; N302-L305 PolarHBondContact O-N 3.12Å; N302-I306 VanDerWaalsContact O-CG1 3.24Å; N302-I306 WeakPolarHBondContact O-CG1 3.46Å; N302-I306 PolarHBondContact O-N 3.37Å
303V83Confident82.6Confident70 Ų7064.9 Ų64.942%0.42433%0.334SS..Hα-helixtrans-60.6-47.4176.21720000110.3A299 I300 L301 L305 I306 F307A299-V303 WeakPolarHBondContact O-CG2 3.49Å; A299-V303 PolarHBondContact O-N 3.01Å; I300-V303 PolarHBondContact O-N 2.89Å; L301-V303 PolarHBondContact O-N 3.48Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.42Å; V303-I306 PolarHBondContact O-N 2.94Å; V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 3.94Å; V303-F307 WeakPolarHBondContact O-CD2 3.37Å; V303-F307 PolarHBondContact O-N 2.91Å
304V87.2Confident83.3Confident63 Ų6359 Ų5938%0.38231%0.312SS..Hα-helixtrans-57.8-47.7177.7171.30000110.8I300 L301 I306 F307 F308I300-V304 HydrophobicContact CG2-CG2 4.26Å; I300-V304 WeakPolarHBondContact O-CB 3.34Å; I300-V304 VanDerWaalsContact O-CG2 3.28Å; I300-V304 WeakPolarHBondContact O-CG2 3.43Å; I300-V304 PolarHBondContact O-N 3.18Å; L301-V304 PolarHBondContact O-N 3Å; V304-I306 PolarHBondContact O-N 3.33Å; V304-F307 PolarHBondContact O-N 2.93Å; V304-F308 HydrophobicContact CG1-CD2 3.55Å; V304-F308 HydrophobicContact CG1-CE2 3.54Å; V304-F308 VanDerWaalsContact O-CD2 3.25Å; V304-F308 WeakPolarHBondContact O-CD2 3.3Å; V304-F308 PolarHBondContact O-N 3.03Å
305L87Confident83.9Confident21 Ų2158 Ų5811%0.1131%0.308CS..Hα-helixtrans-59.7-43.4178.3-71.9171000112.4F75 F78 L248 L301 N302 V303 F307 F308 I309F75-L305 HydrophobicContact CE1-CD2 4.49Å; F78-L305 HydrophobicContact CD1-CD2 4.18Å; F78-L305 HydrophobicContact CE1-CD1 3.89Å; F78-L305 HydrophobicContact CE1-CD2 3.77Å; F78-L305 HydrophobicContact CE1-CG 4.27Å; F78-L305 HydrophobicContact CZ-CD1 3.95Å; F78-L305 HydrophobicContact CZ-CD2 4.27Å; L248-L305 HydrophobicContact CD1-CB 4.39Å; L301-L305 HydrophobicContact CD2-CD1 4.35Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.13Å; L301-L305 PolarHBondContact O-N 3.47Å; N302-L305 PolarHBondContact O-N 3.12Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.42Å; L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 PolarHBondContact O-N 2.63Å; L305-F308 PolarHBondContact O-N 3.5Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 WeakPolarHBondContact O-CD1 3.09Å; L305-I309 WeakPolarHBondContact O-CG1 3.42Å; L305-I309 PolarHBondContact O-N 3.16Å
306I84Confident84.8Confident11 Ų1162.2 Ų62.26%0.05633%0.325CS..Hα-helixtrans-57-45.8177.1-72165.3000111L245 L248 N302 V303 V304 N310 A314L245-I306 HydrophobicContact CD2-CB 4.09Å; L245-I306 HydrophobicContact CD2-CG1 3.92Å; L245-I306 HydrophobicContact CD2-CG2 3.57Å; L248-I306 HydrophobicContact CB-CD1 3.47Å; L248-I306 VanDerWaalsContact CB-CD1 3.47Å; L248-I306 HydrophobicContact CB-CG1 3.53Å; L248-I306 HydrophobicContact CD1-CG1 3.63Å; L248-I306 HydrophobicContact CG-CG1 4.23Å; N302-I306 VanDerWaalsContact O-CG1 3.24Å; N302-I306 WeakPolarHBondContact O-CG1 3.46Å; N302-I306 PolarHBondContact O-N 3.37Å; V303-I306 PolarHBondContact O-N 2.94Å; V304-I306 PolarHBondContact O-N 3.33Å; I306-N310 PolarHBondContact O-N 3.11Å; I306-A314 HydrophobicContact CG2-CB 3.33Å
307F88.3Confident85.3Confident85 Ų8561.6 Ų61.637%0.37332%0.321SS..Hα-helixtrans-65.2-39.2178-86.2-82.1000113V303 V304 L305 W311 A314 L315V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 3.94Å; V303-F307 WeakPolarHBondContact O-CD2 3.37Å; V303-F307 PolarHBondContact O-N 2.91Å; V304-F307 PolarHBondContact O-N 2.93Å; L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 PolarHBondContact O-N 2.63Å; F307-W311 HydrophobicContact CD1-CB 4.46Å; F307-W311 PolarHBondContact O-N 3.02Å; F307-A314 HydrophobicContact CD1-CB 4.18Å; F307-A314 HydrophobicContact CE1-CB 4.35Å; F307-A314 HydrophobicContact CG-CB 4.3Å; F307-L315 HydrophobicContact CE1-CD2 4.03Å; F307-L315 HydrophobicContact CE1-CG 4.46Å; F307-L315 HydrophobicContact CZ-CD2 4.28Å
308F88.6Confident85.5Confident115 Ų11561.3 Ų61.350%0.50432%0.316SS..Hα-helixtrans-75-30.1179.7-83.5-71.4000113.9F75 V304 L305F75-F308 HydrophobicContact CB-CB 4.12Å; F75-F308 HydrophobicContact CD1-CB 3.51Å; F75-F308 HydrophobicContact CD1-CG 4.09Å; F75-F308 HydrophobicContact CD2-CB 4.03Å; F75-F308 AromaticContact CD2-CD1 3.91Å; F75-F308 HydrophobicContact CD2-CD1 3.91Å; F75-F308 HydrophobicContact CD2-CG 4.2Å; F75-F308 HydrophobicContact CE1-CB 3.81Å; F75-F308 HydrophobicContact CE1-CD1 4.36Å; F75-F308 HydrophobicContact CE1-CD2 4.18Å; F75-F308 AromaticContact CE1-CG 3.88Å; F75-F308 HydrophobicContact CE1-CG 3.88Å; F75-F308 HydrophobicContact CE2-CB 4.3Å; F75-F308 AromaticContact CE2-CD1 3.64Å; F75-F308 HydrophobicContact CE2-CD1 3.64Å; F75-F308 HydrophobicContact CE2-CE1 4.12Å; F75-F308 HydrophobicContact CE2-CG 4.01Å; F75-F308 HydrophobicContact CG-CB 3.63Å; F75-F308 HydrophobicContact CG-CD1 4.39Å; F75-F308 HydrophobicContact CG-CG 4.24Å; F75-F308 HydrophobicContact CZ-CB 4.19Å; F75-F308 AromaticContact CZ-CD1 3.88Å; F75-F308 HydrophobicContact CZ-CD1 3.88Å; F75-F308 HydrophobicContact CZ-CD2 4.18Å; F75-F308 HydrophobicContact CZ-CE1 4.29Å; F75-F308 AromaticContact CZ-CG 3.84Å; F75-F308 HydrophobicContact CZ-CG 3.84Å; V304-F308 HydrophobicContact CG1-CD2 3.55Å; V304-F308 HydrophobicContact CG1-CE2 3.54Å; V304-F308 VanDerWaalsContact O-CD2 3.25Å; V304-F308 WeakPolarHBondContact O-CD2 3.3Å; V304-F308 PolarHBondContact O-N 3.03Å; L305-F308 PolarHBondContact O-N 3.5Å
309I84.3Confident85.9Confident10 Ų1062.6 Ų62.65%0.05132%0.324CS..Hα-helixtrans-71.2-51.6177.2-68.3163.2000110.5F78 K241 T244 L248 L305F78-I309 HydrophobicContact CD1-CD1 4.09Å; F78-I309 HydrophobicContact CD1-CG1 4.44Å; F78-I309 HydrophobicContact CE1-CD1 4.26Å; K241-I309 HydrophobicContact CB-CG2 4.33Å; K241-I309 HydrophobicContact CG-CG2 4.11Å; T244-I309 HydrophobicContact CG2-CD1 4.22Å; L248-I309 HydrophobicContact CD1-CD1 4.06Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 WeakPolarHBondContact O-CD1 3.09Å; L305-I309 WeakPolarHBondContact O-CG1 3.42Å; L305-I309 PolarHBondContact O-N 3.16Å
310N84.3Confident86.4Confident35 Ų3566.9 Ų66.919%0.18734%0.344CS..  trans-160.9101.7177.8-172-58000110.7I306 Q312 C313 A314I306-N310 PolarHBondContact O-N 3.11Å; N310-Q312 VanDerWaalsContact C-N 3.32Å; N310-Q312 PolarHBondContact O-N 3.04Å; N310-Q312 PolarHBondContact OD1-N 3.37Å; N310-Q312 PolarHBondContact OD1-OE1 3.48Å; N310-C313 HydrophobicContact CB-CB 4.24Å; N310-C313 VanDerWaalsContact CG-SG 3.57Å; N310-C313 PolarHBondContact O-N 3.45Å; N310-C313 PolarHBondContact OD1-N 2.87Å; N310-C313 PolarHBondContact OD1-SG 3.13Å; N310-A314 WeakPolarHBondContact O-CB 3.3Å; N310-A314 PolarHBondContact O-N 3.21Å
311W87.3Confident86.3Confident149 Ų14967.3 Ų67.356%0.56434%0.342SS*.Hα-helixtrans-65.6-31.9-17674.1-91.3000113.2F307 A314 L315F307-W311 HydrophobicContact CD1-CB 4.46Å; F307-W311 PolarHBondContact O-N 3.02Å; W311-A314 WeakPolarHBondContact O-CB 3.47Å; W311-A314 PolarHBondContact O-N 2.88Å; W311-L315 HydrophobicContact CE3-CD1 3.64Å; W311-L315 HydrophobicContact CE3-CG 4.43Å; W311-L315 HydrophobicContact CZ3-CD1 3.66Å; W311-L315 WeakPolarHBondContact O-CG 3.21Å; W311-L315 PolarHBondContact O-N 3.33Å; W311-L315 VanDerWaalsContact O-N 3.09Å
312Q88.1Confident86.2Confident92 Ų9265 Ų6543%0.4333%0.334SS..Hα-helixtrans-66-47.8179-6196-23.500110.8N310 A314 L315 I316N310-Q312 VanDerWaalsContact C-N 3.32Å; N310-Q312 PolarHBondContact O-N 3.04Å; N310-Q312 PolarHBondContact OD1-N 3.37Å; N310-Q312 PolarHBondContact OD1-OE1 3.48Å; Q312-A314 VanDerWaalsContact C-N 3.33Å; Q312-L315 PolarHBondContact O-N 3.47Å; Q312-I316 WeakPolarHBondContact O-CG1 3.27Å; Q312-I316 PolarHBondContact O-N 2.9Å
313C85.2Confident86.3Confident32 Ų3268 Ų6822%0.21635%0.353CS..Hα-helixtrans-68.5-34.6178.3-60.70000111.5L245 N310 L315 I316 L317L245-C313 HydrophobicContact CD1-CB 3.33Å; N310-C313 HydrophobicContact CB-CB 4.24Å; N310-C313 VanDerWaalsContact CG-SG 3.57Å; N310-C313 PolarHBondContact O-N 3.45Å; N310-C313 PolarHBondContact OD1-N 2.87Å; N310-C313 PolarHBondContact OD1-SG 3.13Å; C313-L315 PolarHBondContact O-N 3.15Å; C313-I316 PolarHBondContact O-N 2.86Å; C313-L317 VanDerWaalsContact O-CB 3.31Å; C313-L317 WeakPolarHBondContact O-CB 3.49Å; C313-L317 PolarHBondContact O-N 3.02Å
314A85.7Confident86.4Confident1 Ų167.9 Ų67.91%0.00835%0.35CS..Hα-helixtrans-56.2-48.3173.100000112.2I306 F307 N310 W311 Q312 L317 L318I306-A314 HydrophobicContact CG2-CB 3.33Å; F307-A314 HydrophobicContact CD1-CB 4.18Å; F307-A314 HydrophobicContact CE1-CB 4.35Å; F307-A314 HydrophobicContact CG-CB 4.3Å; N310-A314 WeakPolarHBondContact O-CB 3.3Å; N310-A314 PolarHBondContact O-N 3.21Å; W311-A314 WeakPolarHBondContact O-CB 3.47Å; W311-A314 PolarHBondContact O-N 2.88Å; Q312-A314 VanDerWaalsContact C-N 3.33Å; A314-L317 PolarHBondContact O-N 2.95Å; A314-L318 WeakPolarHBondContact O-CB 3.47Å; A314-L318 PolarHBondContact O-N 3.19Å
315L89.2Confident86Confident83 Ų8370 Ų7044%0.43535%0.352SS..Hα-helixtrans-65-43.1179.2-71.8178.1000112.2F307 W311 Q312 C313 L317 L318 A319F307-L315 HydrophobicContact CE1-CD2 4.03Å; F307-L315 HydrophobicContact CE1-CG 4.46Å; F307-L315 HydrophobicContact CZ-CD2 4.28Å; W311-L315 HydrophobicContact CE3-CD1 3.64Å; W311-L315 HydrophobicContact CE3-CG 4.43Å; W311-L315 HydrophobicContact CZ3-CD1 3.66Å; W311-L315 WeakPolarHBondContact O-CG 3.21Å; W311-L315 PolarHBondContact O-N 3.33Å; W311-L315 VanDerWaalsContact O-N 3.09Å; Q312-L315 PolarHBondContact O-N 3.47Å; C313-L315 PolarHBondContact O-N 3.15Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 3.31Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-A319 VanDerWaalsContact O-CB 3.25Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.12Å
316I89.5Confident85.8Confident118 Ų11874.9 Ų74.961%0.60537%0.373SS*.Hα-helixtrans-60.9-44.2177.1-66.3167.9000110.4Q312 C313 A319 L320Q312-I316 WeakPolarHBondContact O-CG1 3.27Å; Q312-I316 PolarHBondContact O-N 2.9Å; C313-I316 PolarHBondContact O-N 2.86Å; I316-A319 PolarHBondContact O-N 3.04Å; I316-L320 WeakPolarHBondContact O-CB 3.36Å; I316-L320 PolarHBondContact O-N 2.88Å
317L85.8Confident85.8Confident34 Ų3478.5 Ų78.518%0.17839%0.386CS..Hα-helixtrans-66.6-44.6179.3-174.473.8000112.2L245 T249 C313 A314 L315 A319 L320 F321L245-L317 HydrophobicContact CB-CD2 3.79Å; T249-L317 WeakPolarHBondContact OG1-CD2 3.28Å; C313-L317 VanDerWaalsContact O-CB 3.31Å; C313-L317 WeakPolarHBondContact O-CB 3.49Å; C313-L317 PolarHBondContact O-N 3.02Å; A314-L317 PolarHBondContact O-N 2.95Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 3.31Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.9Å; L317-L320 PolarHBondContact O-N 3.21Å; L317-F321 WeakPolarHBondContact O-CB 3.1Å; L317-F321 PolarHBondContact O-N 3.45Å
318L84.6Confident85.3Confident89 Ų8977.4 Ų77.447%0.46638%0.384SS..Hα-helixtrans-62.9-41.8176.8-173.567.6000110.7A314 L315 F321 C322A314-L318 WeakPolarHBondContact O-CB 3.47Å; A314-L318 PolarHBondContact O-N 3.19Å; L315-L318 PolarHBondContact O-N 3.46Å; L318-F321 PolarHBondContact O-N 2.89Å; L318-C322 VanDerWaalsContact O-CB 3.32Å; L318-C322 WeakPolarHBondContact O-CB 3.49Å; L318-C322 PolarHBondContact O-N 3.27Å; L318-C322 PolarHBondContact O-SG 3.02Å
319A89Confident84.5Confident53 Ų5374.7 Ų74.744%0.43838%0.379SS..Hα-helixtrans-60.7-46.7174.100000111.3L315 I316 L317 F321 C322 T323L315-A319 VanDerWaalsContact O-CB 3.25Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.12Å; I316-A319 PolarHBondContact O-N 3.04Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.9Å; A319-F321 PolarHBondContact O-N 2.81Å; A319-C322 PolarHBondContact O-N 3.28Å; A319-T323 WeakPolarHBondContact O-CB 3.46Å; A319-T323 PolarHBondContact O-N 2.97Å; A319-T323 PolarHBondContact O-OG1 2.77Å
320L88.1Confident84.2Confident109 Ų10984.2 Ų84.257%0.57141%0.414SS*.Hα-helixtrans-61-44.1177.3-174.3149.2000111.9I316 L317 T323 L324I316-L320 WeakPolarHBondContact O-CB 3.36Å; I316-L320 PolarHBondContact O-N 2.88Å; L317-L320 PolarHBondContact O-N 3.21Å; L320-T323 PolarHBondContact O-N 3.2Å; L320-L324 VanDerWaalsContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.5Å; L320-L324 PolarHBondContact O-N 3.48Å
321F82.7Confident83.7Confident107 Ų10785.3 Ų85.347%0.46942%0.422SS..Hα-helixtrans-63.6-45.2177.1-171.8-96000111.5T249 L317 L318 A319 L324 Y325T249-F321 HydrophobicContact CG2-CD2 4.14Å; T249-F321 HydrophobicContact CG2-CE2 4.48Å; T249-F321 HydrophobicContact CG2-CG 4.44Å; L317-F321 WeakPolarHBondContact O-CB 3.1Å; L317-F321 PolarHBondContact O-N 3.45Å; L318-F321 PolarHBondContact O-N 2.89Å; A319-F321 PolarHBondContact O-N 2.81Å; F321-L324 PolarHBondContact O-N 2.93Å; F321-Y325 VanDerWaalsContact O-CB 3.28Å; F321-Y325 WeakPolarHBondContact O-CB 3.48Å; F321-Y325 PolarHBondContact O-N 3.48Å
322C84.1Confident82.6Confident51 Ų5180.6 Ų80.635%0.34541%0.408SS..Hα-helixtrans-59.8-48174.3-75.40000111.5L318 A319 L324 Y325 F326L318-C322 VanDerWaalsContact O-CB 3.32Å; L318-C322 WeakPolarHBondContact O-CB 3.49Å; L318-C322 PolarHBondContact O-N 3.27Å; L318-C322 PolarHBondContact O-SG 3.02Å; A319-C322 PolarHBondContact O-N 3.28Å; C322-L324 VanDerWaalsContact C-N 3.35Å; C322-L324 PolarHBondContact O-N 3Å; C322-Y325 PolarHBondContact O-N 2.95Å; C322-F326 WeakPolarHBondContact O-CB 3.36Å; C322-F326 WeakPolarHBondContact O-CD2 3.48Å; C322-F326 PolarHBondContact O-N 3.24Å
323T87.2Confident81.1Confident99 Ų9980.4 Ų80.461%0.60742%0.415SS*.Hα-helixtrans-60.1-44.7177.9-61.10000111.5A319 L320 F326 Y327A319-T323 WeakPolarHBondContact O-CB 3.46Å; A319-T323 PolarHBondContact O-N 2.97Å; A319-T323 PolarHBondContact O-OG1 2.77Å; L320-T323 PolarHBondContact O-N 3.2Å; T323-F326 PolarHBondContact O-N 3.41Å; T323-Y327 VanDerWaalsContact O-CB 3.28Å; T323-Y327 WeakPolarHBondContact O-CB 3.43Å; T323-Y327 PolarHBondContact O-N 2.9Å
324L83.5Confident78.9Confident68 Ų6884.1 Ų84.136%0.35644%0.44SS..Hα-helixtrans-63.6-45.7176.9-175.665.4000111.3I185 L320 F321 C322 F326 Y327 I328I185-L324 HydrophobicContact CD1-CD1 3.65Å; L320-L324 VanDerWaalsContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.5Å; L320-L324 PolarHBondContact O-N 3.48Å; F321-L324 PolarHBondContact O-N 2.93Å; C322-L324 VanDerWaalsContact C-N 3.35Å; C322-L324 PolarHBondContact O-N 3Å; L324-F326 PolarHBondContact O-N 3.27Å; L324-Y327 PolarHBondContact O-N 3.42Å; L324-I328 HydrophobicContact CD1-CD1 4.03Å; L324-I328 HydrophobicContact CD1-CG1 4.3Å; L324-I328 HydrophobicContact CG-CD1 3.86Å; L324-I328 HydrophobicContact CG-CG1 4.45Å; L324-I328 VanDerWaalsContact O-CG1 3.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.39Å; L324-I328 PolarHBondContact O-N 2.95Å
325Y80.1Confident77Confident107 Ų10787 Ų8742%0.4246%0.464SS..Hα-helixtrans-58.4-48.3176.7176.9-97000111.8F321 C322 Y327 I328 S329F321-Y325 VanDerWaalsContact O-CB 3.28Å; F321-Y325 WeakPolarHBondContact O-CB 3.48Å; F321-Y325 PolarHBondContact O-N 3.48Å; C322-Y325 PolarHBondContact O-N 2.95Å; Y325-Y327 PolarHBondContact O-N 3.01Å; Y325-I328 PolarHBondContact O-N 3.17Å; Y325-S329 VanDerWaalsContact O-CB 3.28Å; Y325-S329 WeakPolarHBondContact O-CB 3.26Å; Y325-S329 PolarHBondContact O-N 3.5Å; Y325-S329 PolarHBondContact O-OG 3.01Å
326F82.3Confident74.4Confident124 Ų12491.5 Ų91.554%0.54448%0.476SS..Hα-helixtrans-64.3-39176.9-80-64.3000112.3C322 T323 L324 R330C322-F326 WeakPolarHBondContact O-CB 3.36Å; C322-F326 WeakPolarHBondContact O-CD2 3.48Å; C322-F326 PolarHBondContact O-N 3.24Å; T323-F326 PolarHBondContact O-N 3.41Å; L324-F326 PolarHBondContact O-N 3.27Å; F326-R330 PolarHBondContact O-N 3.37Å
327Y84.9Confident71.7Confident88 Ų8891.3 Ų91.335%0.34548%0.481SS..Hα-helixtrans-63.9-48.7176.9176.8-90.4000111.7I185 T323 L324 Y325 S329 R330 T331I185-Y327 HydrophobicContact CB-CE1 4.29Å; I185-Y327 HydrophobicContact CG1-CE1 4.3Å; I185-Y327 HydrophobicContact CG2-CE1 3.92Å; T323-Y327 VanDerWaalsContact O-CB 3.28Å; T323-Y327 WeakPolarHBondContact O-CB 3.43Å; T323-Y327 PolarHBondContact O-N 2.9Å; L324-Y327 PolarHBondContact O-N 3.42Å; Y325-Y327 PolarHBondContact O-N 3.01Å; Y327-S329 VanDerWaalsContact C-N 3.34Å; Y327-S329 PolarHBondContact O-N 3.15Å; Y327-R330 PolarHBondContact O-N 2.98Å; Y327-T331 HydrophobicContact CD1-CG2 4.24Å; Y327-T331 HydrophobicContact CD2-CG2 4.21Å; Y327-T331 HydrophobicContact CE1-CG2 3.81Å; Y327-T331 HydrophobicContact CE2-CG2 3.8Å; Y327-T331 HydrophobicContact CG-CG2 4.43Å; Y327-T331 WeakPolarHBondContact O-CB 3.16Å; Y327-T331 WeakPolarHBondContact O-CG2 3.33Å; Y327-T331 PolarHBondContact O-N 3.42Å; Y327-T331 PolarHBondContact O-OG1 3.05Å
328I77.5Confident69.2Low62 Ų6291.4 Ų91.432%0.31849%0.49SS..Hα-helixtrans-61.7-45.4178-66.2174.3000110.1V184 L324 Y325 R330 T331 N332V184-I328 HydrophobicContact CG1-CB 4.26Å; V184-I328 HydrophobicContact CG1-CD1 4.13Å; V184-I328 HydrophobicContact CG1-CG1 3.72Å; V184-I328 HydrophobicContact CG1-CG2 3.79Å; L324-I328 HydrophobicContact CD1-CD1 4.03Å; L324-I328 HydrophobicContact CD1-CG1 4.3Å; L324-I328 HydrophobicContact CG-CD1 3.86Å; L324-I328 HydrophobicContact CG-CG1 4.45Å; L324-I328 VanDerWaalsContact O-CG1 3.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.39Å; L324-I328 PolarHBondContact O-N 2.95Å; Y325-I328 PolarHBondContact O-N 3.17Å; I328-R330 VanDerWaalsContact C-N 3.25Å; I328-R330 PolarHBondContact O-N 3.2Å; I328-T331 PolarHBondContact O-N 3.12Å; I328-T331 PolarHBondContact O-OG1 3.08Å; I328-N332 PolarHBondContact O-N 3.11Å; I328-N332 VanDerWaalsContact O-N 3.08Å
329S71.2Confident66.7Low57 Ų5791.3 Ų91.340%0.39949%0.493SS..Hα-helixtrans-59.2-34.6178.1-59.90000112.8Y325 Y327Y325-S329 VanDerWaalsContact O-CB 3.28Å; Y325-S329 WeakPolarHBondContact O-CB 3.26Å; Y325-S329 PolarHBondContact O-N 3.5Å; Y325-S329 PolarHBondContact O-OG 3.01Å; Y327-S329 VanDerWaalsContact C-N 3.34Å; Y327-S329 PolarHBondContact O-N 3.15Å
330R77.9Confident63.9Low210 Ų21091 Ų9179%0.79249%0.488SS*.Hα-helixtrans-83.3-35.7177.5-78.1-154.9176.9120.6-1.3114.4F326 Y327 I328F326-R330 PolarHBondContact O-N 3.37Å; Y327-R330 PolarHBondContact O-N 2.98Å; I328-R330 VanDerWaalsContact C-N 3.25Å; I328-R330 PolarHBondContact O-N 3.2Å
331T74.1Confident61.3Low58 Ų5893 Ų9336%0.35649%0.494SS..Hα-helixtrans-80.8-26.9-174.146.50000113.2Y327 I328 P333Y327-T331 HydrophobicContact CD1-CG2 4.24Å; Y327-T331 HydrophobicContact CD2-CG2 4.21Å; Y327-T331 HydrophobicContact CE1-CG2 3.81Å; Y327-T331 HydrophobicContact CE2-CG2 3.8Å; Y327-T331 HydrophobicContact CG-CG2 4.43Å; Y327-T331 WeakPolarHBondContact O-CB 3.16Å; Y327-T331 WeakPolarHBondContact O-CG2 3.33Å; Y327-T331 PolarHBondContact O-N 3.42Å; Y327-T331 PolarHBondContact O-OG1 3.05Å; I328-T331 PolarHBondContact O-N 3.12Å; I328-T331 PolarHBondContact O-OG1 3.08Å; T331-P333 WeakPolarHBondContact O-CD 3.19Å
332N64.3Low59.2Low50 Ų5092.4 Ų92.427%0.26749%0.491SS..  trans-12563.7-179.1-64.7-75.5000111.8V184 I328 C334 A335V184-N332 PolarHBondContact O-ND2 3.28Å; I328-N332 PolarHBondContact O-N 3.11Å; I328-N332 VanDerWaalsContact O-N 3.08Å; N332-C334 PolarHBondContact O-N 3.32Å; N332-C334 VanDerWaalsContact O-N 3.15Å; N332-A335 HydrophobicContact CB-CB 3.91Å
333P55.7Low57.2Low88 Ų8892 Ų9257%0.57149%0.489SS*.THydrogen-bonded Turntrans-65.8-14.7176.527.2-32.7000113T331T331-P333 WeakPolarHBondContact O-CD 3.19Å
334C40.1Very low55.2Low111 Ų11193.2 Ų93.275%0.7549%0.49SS*.THydrogen-bonded Turntrans-119.9-3.7-175.7-59.70000115.4N332 Y336N332-C334 PolarHBondContact O-N 3.32Å; N332-C334 VanDerWaalsContact O-N 3.15Å; C334-Y336 PolarHBondContact O-N 3.24Å; C334-Y336 VanDerWaalsContact O-N 3.14Å
335A44.7Very low53.4Low62 Ų6299.1 Ų99.151%0.51251%0.509SS..SBendtrans-79.198.4168.500000106.5N332 T337N332-A335 HydrophobicContact CB-CB 3.91Å; A335-T337 PolarHBondContact O-N 2.83Å
336Y36.4Very low51.9Low176 Ų17695.8 Ų95.869%0.6950%0.499SS*.  trans12.4102-176.6-70.2-92.2000114.5Q276 C334 G338Q276-Y336 PolarHBondContact NE2-OH 3.01Å; Q276-Y336 PolarHBondContact OE1-OH 3.27Å; C334-Y336 PolarHBondContact O-N 3.24Å; C334-Y336 VanDerWaalsContact O-N 3.14Å; Y336-G338 PolarHBondContact O-N 3.23Å
337T32Very low50.2Low115 Ų11590.9 Ų90.971%0.70648%0.48SS*.  trans-63.377.7158.155.60000107.7A335 V339A335-T337 PolarHBondContact O-N 2.83Å; T337-V339 VanDerWaalsContact C-N 3.33Å; T337-V339 PolarHBondContact O-N 2.98Å
338G32.5Very low48.7Very low36 Ų3691 Ų9137%0.37149%0.485SS..  trans-64.893.7-179.700000109.4K253 Y336 S340K253-G338 PolarHBondContact NZ-O 3.3Å; Y336-G338 PolarHBondContact O-N 3.23Å; G338-S340 PolarHBondContact O-N 3.43Å; G338-S340 PolarHBondContact O-OG 3.43Å
339V31.8Very low47.5Very low87 Ų8788.7 Ų88.753%0.52748%0.477SS..SBendtrans45.633169-77.30000115.6Q256 T337Q256-V339 HydrophobicContact CG-CG2 4.44Å; T337-V339 VanDerWaalsContact C-N 3.33Å; T337-V339 PolarHBondContact O-N 2.98Å
340S31.9Very low46.5Very low46 Ų4688.8 Ų88.832%0.32247%0.473SS..  trans-143.988.8173.163.50000113.1G338 F342G338-S340 PolarHBondContact O-N 3.43Å; G338-S340 PolarHBondContact O-OG 3.43Å; S340-F342 PolarHBondContact O-N 3.01Å
341Q32.1Very low45.3Very low152 Ų15280.2 Ų80.271%0.7144%0.444SS*.  -6179.1125.4-76.8-171.4-43.500106.6S343Q341-S343 PolarHBondContact O-N 3.05Å
342F38.6Very low44.4Very low93 Ų9384.5 Ų84.541%0.40846%0.458SS..  trans-75.773.8167.2-124.8-98.3000105.8S340 S347S340-F342 PolarHBondContact O-N 3.01Å; F342-S347 WeakPolarHBondContact CD1-OG 3.43Å; F342-S347 WeakPolarHBondContact CE1-OG 3.28Å; F342-S347 WeakPolarHBondContact CG-OG 3.2Å
343S42.6Very low43.8Very low42 Ų4285.3 Ų85.329%0.29448%0.478SS..  trans-69.5124.7153.4175.10000105.2Q341 Y345 D346 S347Q341-S343 PolarHBondContact O-N 3.05Å; S343-Y345 PolarHBondContact O-N 3.29Å; S343-Y345 VanDerWaalsContact O-N 3.09Å; S343-Y345 WeakPolarHBondContact OG-CB 3.46Å; S343-Y345 PolarHBondContact OG-N 3.45Å; S343-D346 PolarHBondContact O-N 2.87Å; S343-S347 PolarHBondContact O-N 3.36Å; S343-S347 PolarHBondContact O-OG 3.22Å
344I44.3Very low43.3Very low125 Ų12589.8 Ų89.864%0.64149%0.488SS*.Hα-helixtrans-49.7-36.3172.4-68.3169.3000109S347 I348I344-S347 PolarHBondContact O-N 2.9Å; I344-I348 HydrophobicContact CG2-CD1 3.72Å; I344-I348 HydrophobicContact CG2-CG1 4.44Å; I344-I348 WeakPolarHBondContact O-CB 3.48Å; I344-I348 WeakPolarHBondContact O-CD1 3.46Å; I344-I348 WeakPolarHBondContact O-CG1 3.47Å; I344-I348 PolarHBondContact O-N 2.82Å
345Y46.4Very low43.3Very low192 Ų19291.8 Ų91.875%0.75348%0.48SS*.Hα-helixtrans-65.9-42.5175.4-58.3-82.4000114S343 S347 G349S343-Y345 PolarHBondContact O-N 3.29Å; S343-Y345 VanDerWaalsContact O-N 3.09Å; S343-Y345 WeakPolarHBondContact OG-CB 3.46Å; S343-Y345 PolarHBondContact OG-N 3.45Å; Y345-S347 VanDerWaalsContact C-N 3.34Å; Y345-G349 PolarHBondContact O-N 3.45Å
346D47.7Very low43.3Very low37 Ų3797.2 Ų97.220%0.19850%0.495CS..Hα-helixtrans-71.8-32.3176.3-76-35.8000111.8S343 G349 L350 R355S343-D346 PolarHBondContact O-N 2.87Å; D346-G349 PolarHBondContact O-N 2.84Å; D346-L350 VanDerWaalsContact O-CB 3.28Å; D346-L350 WeakPolarHBondContact O-CB 3.48Å; D346-L350 WeakPolarHBondContact O-CD1 3.44Å; D346-L350 WeakPolarHBondContact O-CG 3.25Å; D346-L350 PolarHBondContact O-N 2.71Å; D346-R355 IonicContact OD1-CZ 3.37Å; D346-R355 IonicContact OD1-NH1 3.56Å; D346-R355 PolarHBondContact OD1-NH1 3.11Å
347S48.1Very low43.7Very low21 Ų2193 Ų9315%0.14749%0.489CS..Hα-helixtrans-69.8-41.8177.5-51.30000110.9F342 S343 I344 Y345 V351F342-S347 WeakPolarHBondContact CD1-OG 3.43Å; F342-S347 WeakPolarHBondContact CE1-OG 3.28Å; F342-S347 WeakPolarHBondContact CG-OG 3.2Å; S343-S347 PolarHBondContact O-N 3.36Å; S343-S347 PolarHBondContact O-OG 3.22Å; I344-S347 PolarHBondContact O-N 2.9Å; Y345-S347 VanDerWaalsContact C-N 3.34Å; S347-V351 WeakPolarHBondContact O-CB 3.36Å; S347-V351 WeakPolarHBondContact O-CG2 3.47Å; S347-V351 PolarHBondContact O-N 3.2Å
348I53.3Low44Very low90 Ų9093 Ų9346%0.46249%0.489SS..Hα-helixtrans-63.5-44.3170.1-70.1168.6000110.1I344 L350 V351 F352I344-I348 HydrophobicContact CG2-CD1 3.72Å; I344-I348 HydrophobicContact CG2-CG1 4.44Å; I344-I348 WeakPolarHBondContact O-CB 3.48Å; I344-I348 WeakPolarHBondContact O-CD1 3.46Å; I344-I348 WeakPolarHBondContact O-CG1 3.47Å; I344-I348 PolarHBondContact O-N 2.82Å; I348-L350 PolarHBondContact O-N 3.37Å; I348-V351 PolarHBondContact O-N 3.39Å; I348-F352 HydrophobicContact CG2-CD2 3.78Å; I348-F352 HydrophobicContact CG2-CE2 3.85Å; I348-F352 WeakPolarHBondContact O-CD2 3.38Å; I348-F352 PolarHBondContact O-N 3.41Å
349G52Low44.1Very low14 Ų1498.3 Ų98.314%0.14451%0.507CS..Hα-helixtrans-62.9-38.1178.200000114.5Y345 D346 G353 K354Y345-G349 PolarHBondContact O-N 3.45Å; D346-G349 PolarHBondContact O-N 2.84Å; G349-G353 PolarHBondContact O-N 3.13Å; G349-K354 PolarHBondContact O-N 2.78Å
350L50.2Low44.1Very low59 Ų59102.6 Ų102.631%0.30952%0.519SS..Hα-helixtrans-70.3-37.1174.3-86.2157.3000112.1D346 I348 G353 R355D346-L350 VanDerWaalsContact O-CB 3.28Å; D346-L350 WeakPolarHBondContact O-CB 3.48Å; D346-L350 WeakPolarHBondContact O-CD1 3.44Å; D346-L350 WeakPolarHBondContact O-CG 3.25Å; D346-L350 PolarHBondContact O-N 2.71Å; I348-L350 PolarHBondContact O-N 3.37Å; L350-G353 PolarHBondContact O-N 3.39Å; L350-R355 WeakPolarHBondContact CD2-O 3.48Å
351V51.9Low44.2Very low31 Ų31108 Ų10819%0.18854%0.539CS..Hα-helixtrans-63.5-41.7174.5166.50000111L254 W293 L296 S347 I348 G353L254-V351 HydrophobicContact CD1-CG2 4.43Å; W293-V351 HydrophobicContact CH2-CG1 3.53Å; W293-V351 WeakPolarHBondContact CH2-O 3.31Å; W293-V351 WeakPolarHBondContact CZ2-O 3.4Å; W293-V351 HydrophobicContact CZ3-CG1 3.53Å; L296-V351 HydrophobicContact CD1-CG1 3.95Å; L296-V351 HydrophobicContact CD1-CG2 3.9Å; S347-V351 WeakPolarHBondContact O-CB 3.36Å; S347-V351 WeakPolarHBondContact O-CG2 3.47Å; S347-V351 PolarHBondContact O-N 3.2Å; I348-V351 PolarHBondContact O-N 3.39Å; V351-G353 PolarHBondContact O-N 2.98Å
352F56.1Low44Very low148 Ų148110.7 Ų110.765%0.64955%0.548SS*.THydrogen-bonded Turntrans-82.99.5177.4-72.5-70.3000114.4I348 K354I348-F352 HydrophobicContact CG2-CD2 3.78Å; I348-F352 HydrophobicContact CG2-CE2 3.85Å; I348-F352 WeakPolarHBondContact O-CD2 3.38Å; I348-F352 PolarHBondContact O-N 3.41Å; F352-K354 PolarHBondContact O-N 3.19Å; F352-K354 VanDerWaalsContact O-N 3.12Å
353G50.6Low43.6Very low66 Ų66112 Ų11268%0.6856%0.564SS**THydrogen-bonded Turntrans63.816.4175.800000114.8G349 L350 V351G349-G353 PolarHBondContact O-N 3.13Å; L350-G353 PolarHBondContact O-N 3.39Å; V351-G353 PolarHBondContact O-N 2.98Å
354K46.7Very low43Very low182 Ų182115.4 Ų115.479%0.79158%0.583SS**  trans-91.3-5.1-175.3-78.4-172.5176.3-178.20114G349 F352G349-K354 PolarHBondContact O-N 2.78Å; F352-K354 PolarHBondContact O-N 3.19Å; F352-K354 VanDerWaalsContact O-N 3.12Å
355R40.4Very low42.2Very low153 Ų153115.7 Ų115.758%0.57759%0.585SS**SBendtrans-139.3133179.7-80.1-174174.2174.6-0.9112D346 L350D346-R355 IonicContact OD1-CZ 3.37Å; D346-R355 IonicContact OD1-NH1 3.56Å; D346-R355 PolarHBondContact OD1-NH1 3.11Å; L350-R355 WeakPolarHBondContact CD2-O 3.48Å
356E43Very low41.6Very low176 Ų176112.5 Ų112.582%0.82259%0.585SS**  trans-71.1147.9166.2-73.5180165.200110.6T358E356-T358 PolarHBondContact O-N 3.48Å; E356-T358 VanDerWaalsContact O-N 3.11Å
357P45.3Very low40.9Very low89 Ų89119.5 Ų119.558%0.57862%0.616SS**  trans-67.9109.317827.9-32.4000110.1I359P357-I359 PolarHBondContact O-N 3.18Å; P357-I359 VanDerWaalsContact O-N 3.1Å
358T37.9Very low40.3Very low114 Ų114127 Ų12770%0.69965%0.649SS**  trans-73100.6172.110.60000109.9E356 K360E356-T358 PolarHBondContact O-N 3.48Å; E356-T358 VanDerWaalsContact O-N 3.11Å; T358-K360 PolarHBondContact O-N 3.49Å; T358-K360 VanDerWaalsContact O-N 3.12Å
359I35.8Very low39.4Very low147 Ų147128.1 Ų128.175%0.75466%0.662SS**  trans-70.7102.5168.8-55.8174.2000107.7P357 E361P357-I359 PolarHBondContact O-N 3.18Å; P357-I359 VanDerWaalsContact O-N 3.1Å; I359-E361 HydrophobicContact CG2-CG 4.19Å
360K32.4Very low38.5Very low177 Ų177134.1 Ų134.177%0.7770%0.699SS**  trans-110.488165.6-78.1-172.6177.1177.70109.1T358T358-K360 PolarHBondContact O-N 3.49Å; T358-K360 VanDerWaalsContact O-N 3.12Å
361E33.8Very low37.8Very low161 Ų161134.6 Ų134.675%0.75272%0.718SS**  trans-79.5121.2162.8-74.3-176.1154.500109.2I359I359-E361 HydrophobicContact CG2-CG 4.19Å
362K27.6Very low36.8Very low207 Ų207142.1 Ų142.190%0.975%0.751SS**  trans-125100.7156.9-90.2-170175.3-175.60108V364K362-V364 PolarHBondContact O-N 3.07Å
363T29.7Very low35.6Very low120 Ų120141.5 Ų141.574%0.73676%0.759SS**  trans-68.4117169.7-46.30000109I365T363-I365 HydrophobicContact CG2-CG1 4.41Å
364V29.5Very low34.6Very low115 Ų115147.9 Ų147.970%0.69777%0.768SS**  trans-91103.2165.1178.50000107.3K362 T366K362-V364 PolarHBondContact O-N 3.07Å; V364-T366 PolarHBondContact O-N 3.38Å
365I28.8Very low33.8Very low131 Ų131145.2 Ų145.267%0.67277%0.767SS**  trans-68.1116.2169.4-57.8172.2000106.6T363T363-I365 HydrophobicContact CG2-CG1 4.41Å
366T32.5Very low33.2Very low124 Ų124146.5 Ų146.576%0.76178%0.78SS**  trans-82115.2164.541.60000107.6V364 Q368V364-T366 PolarHBondContact O-N 3.38Å; T366-Q368 PolarHBondContact O-N 3.38Å
367H34Very low32.5Very low184 Ų184144.9 Ų144.985%0.85278%0.775SS**  trans-57.6116173.7-78.8-83.2000109.9
368Q35.4Very low31.7Very low178 Ų178145.8 Ų145.883%0.83278%0.779SS**PPolyproline II helixtrans-84.7141.9158-82.5-172-50.600109.3T366T366-Q368 PolarHBondContact O-N 3.38Å
369P34.3Very low31.2Very low115 Ų115148.3 Ų148.375%0.74778%0.784SS**PPolyproline II helixtrans-66148.7176.529-33.8000110.8G371P369-G371 PolarHBondContact O-N 3.27Å
370P33.2Very low30.9Very low139 Ų139146.9 Ų146.990%0.90378%0.781SS**SBendtrans-73.8116.5-172.929.5-32000110.6
371G34.1Very low30.8Very low70 Ų70144.3 Ų144.372%0.72278%0.78SS**  trans146.364166.500000115.7P369P369-G371 PolarHBondContact O-N 3.27Å
372E32Very low30.5Very low188 Ų188139.8 Ų139.888%0.87978%0.777SS**  trans-171.5104.6144-114.4179.6159.900110.1
373V30.9Very low30.6Very low136 Ų136137.1 Ų137.182%0.82477%0.768SS**  trans-88.2110172.1176.60000107.7
374K30.1Very low30.6Very low199 Ų199139.4 Ų139.487%0.86578%0.776SS**  trans-140.497.4156.5-79.5-166.8177.1177.90110.4
375T29.1Very low30.6Very low126 Ų126143.2 Ų143.277%0.77378%0.779SS**  trans-72.6119.9160.222.60000108.8
376E28.5Very low30.7Very low180 Ų180141.1 Ų141.184%0.84178%0.781SS**  trans-137.5107.9159.4-126.7177-171.900108.9
377I27.6Very low30.7Very low142 Ų142149.7 Ų149.773%0.72880%0.802SS**  trans-92.3108.7169.2-59.8171.5000105
378T28.7Very low30.5Very low108 Ų108148 Ų14866%0.66380%0.799SS**  trans-114.394.4169.1-28.80000108.7V380T378-V380 HydrophobicContact CG2-CG2 3.65Å
379Q26.4Very low30.3Very low168 Ų168146.4 Ų146.479%0.78580%0.797SS**  trans-71.9120.3155.6-73.3-169.8-30.600107.1
380V29.5Very low30.1Very low116 Ų116148.2 Ų148.270%0.70380%0.8SS**  trans-12283.1164.8-170.30000107.7T378T378-V380 HydrophobicContact CG2-CG2 3.65Å
381T30.4Very low29.9Very low123 Ų123148.7 Ų148.776%0.75579%0.794SS**  trans-57.7132.5153.835.50000109H383T381-H383 PolarHBondContact O-N 2.87Å
382G27.4Very low29.6Very low67 Ų67153.6 Ų153.669%0.69180%0.799SS**SBendtrans-62.6122.8176.600000111.5
383H29.5Very low29.5Very low150 Ų150151.3 Ų151.369%0.69479%0.793SS**  trans176.568.3154-107.6-84000108.5T381 Y385T381-H383 PolarHBondContact O-N 2.87Å; H383-Y385 AromaticContact CE1-CE2 3.34Å; H383-Y385 WeakPolarHBondContact CE1-CE2 3.39Å; H383-Y385 AromaticContact ND1-CD2 3.35Å; H383-Y385 WeakPolarHBondContact ND1-CD2 3.33Å; H383-Y385 AromaticContact ND1-CE2 3.15Å; H383-Y385 WeakPolarHBondContact ND1-CE2 3.4Å
384D31.5Very low29.4Very low169 Ų169152.4 Ų152.490%0.90479%0.791SS**  trans-98.499160.9-80.1-25.9000108.1
385Y29.5Very low29.3Very low194 Ų194148.8 Ų148.876%0.76179%0.786SS**  trans-95.5146.1163.7-84.6-102.2000109H383H383-Y385 AromaticContact CE1-CE2 3.34Å; H383-Y385 WeakPolarHBondContact CE1-CE2 3.39Å; H383-Y385 AromaticContact ND1-CD2 3.35Å; H383-Y385 WeakPolarHBondContact ND1-CD2 3.33Å; H383-Y385 AromaticContact ND1-CE2 3.15Å; H383-Y385 WeakPolarHBondContact ND1-CE2 3.4Å
386A30.2Very low29.3Very low87 Ų87150.8 Ų150.872%0.71979%0.787SS**  trans74.192.9161.900000117.7
387Y32.7Very low29.4Very low305 Ų305148.1 Ų148.1100%1.19678%0.782SS**  -158.6080.7-91.8-81.8000110.3

Retrieved 387 of 387 residues in 493.1 ms (Link to these results)

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