A0A5K4F8U0_SCHMA Loading...

6-phosphogluconate dehydrogenase, decarboxylating

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

AlphaFold DB , UniProt , Accession A0A5K4F8U0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 501 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
1M39.3Very low33.7Very low240 Ų240147.5 Ų147.5100%1.18284%0.836SS**  01310-77.8-171-101.800107.2
2L37Very low33.9Very low185 Ų185152.5 Ų152.597%0.96983%0.831SS**  trans9781-173.8-58.7158000115.8
3A36.5Very low34.4Very low106 Ų106153.7 Ų153.788%0.87684%0.835SS**  trans-143.9104.9143.300000103.4
4G35.8Very low35.7Very low68 Ų68147.1 Ų147.170%0.70180%0.803SS**  110.482.365.100000105.7L6G4-L6 PolarHBondContact O-N 2.95Å; G4-L6 VanDerWaalsContact O-N 3.07Å
5Y32.7Very low37.7Very low230 Ų230147.8 Ų147.890%0.90280%0.801SS**  trans-65.6103.1179.9-81.7-91.1000109.8V7Y5-V7 PolarHBondContact O-N 3.21Å
6L30.5Very low40Very low166 Ų166141.6 Ų141.687%0.86978%0.776SS**  trans-80.9101.4158.4-88.3155.2000107.5G4 P8G4-L6 PolarHBondContact O-N 2.95Å; G4-L6 VanDerWaalsContact O-N 3.07Å; L6-P8 WeakPolarHBondContact O-CD 3.46Å
7V29.4Very low43Very low125 Ų125141.8 Ų141.876%0.75876%0.762SS**  trans-78.5115.4161.81790000106.4Y5 S9Y5-V7 PolarHBondContact O-N 3.21Å; V7-S9 PolarHBondContact O-N 3Å
8P32.1Very low46Very low97 Ų97133.9 Ų133.963%0.6372%0.72SS**  trans-77.1115.1175.13.812.1000108.3L6 L10L6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-L10 HydrophobicContact CB-CD1 3.95Å; P8-L10 PolarHBondContact O-N 2.82Å
9S30Very low48.8Very low113 Ų113128.7 Ų128.779%0.7969%0.692SS**  trans-69.173.3157.465.30000108.2V7 I11V7-S9 PolarHBondContact O-N 3Å; S9-I11 PolarHBondContact O-N 2.74Å
10L32.9Very low51.3Low148 Ų148122.3 Ų122.378%0.77566%0.657SS**  trans-73.398.6170.4-119.5121000106.4P8 R12P8-L10 HydrophobicContact CB-CD1 3.95Å; P8-L10 PolarHBondContact O-N 2.82Å; L10-R12 PolarHBondContact O-N 3.21Å
11I34.5Very low53.5Low145 Ų145116.4 Ų116.474%0.74463%0.626SS**  trans-44103.8162.2-66167.6000106.3S9 L13S9-I11 PolarHBondContact O-N 2.74Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.23Å
12R36.2Very low56.4Low207 Ų207105 Ų10578%0.78157%0.57SS**  trans-63.2101.5163.5-86.7-176.2171.9-166.7-0.6104.6L10 T14L10-R12 PolarHBondContact O-N 3.21Å; R12-T14 HydrophobicContact CB-CG2 4.15Å; R12-T14 PolarHBondContact O-N 3.14Å
13L40.1Very low59.3Low168 Ų16896.2 Ų96.288%0.8852%0.524SS*.  trans-57.287.2151.5-98.9124000105.7I11 M15I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.23Å; L13-M15 PolarHBondContact O-N 2.86Å
14T52.4Low62.2Low62 Ų6291.4 Ų91.438%0.3848%0.484SS..  trans-65.3105.1174.240.70000106.1R12 A16R12-T14 HydrophobicContact CB-CG2 4.15Å; R12-T14 PolarHBondContact O-N 3.14Å; T14-A16 PolarHBondContact O-N 2.95Å
15M65.8Low65.1Low157 Ų15788.2 Ų88.277%0.77345%0.451SS*.  trans-42.3133.7163.6-90.6-172-176.800108.2L13 R17L13-M15 PolarHBondContact O-N 2.86Å; M15-R17 VanDerWaalsContact O-CG 3.3Å; M15-R17 WeakPolarHBondContact O-CG 3.49Å; M15-R17 PolarHBondContact O-N 2.93Å
16A75.3Confident68.1Low49 Ų4979.9 Ų79.941%0.40543%0.43SS..  trans-54.2114.3174.400000109.6T14 S78 L79T14-A16 PolarHBondContact O-N 2.95Å; A16-S78 CarbonylContact C-O 3.55Å; A16-S78 WeakPolarHBondContact CA-O 3.41Å; A16-L79 WeakPolarHBondContact CB-O 3.44Å
17R89.8Confident71.1Confident144 Ų14475.3 Ų75.354%0.54341%0.409SS..  trans-117.5-26.6-173.4-79.2172.4-152.1-163.32.8112.7M15 I67 S78 K80M15-R17 VanDerWaalsContact O-CG 3.3Å; M15-R17 WeakPolarHBondContact O-CG 3.49Å; M15-R17 PolarHBondContact O-N 2.93Å; R17-I67 HydrophobicContact CB-CD1 4.22Å; R17-S78 PolarHBondContact N-O 3.25Å; R17-K80 WeakPolarHBondContact O-CE 3.18Å
18A98.1Very high74.1Confident0 Ų072 Ų720%039%0.386CS..BIsolated β-bridgetrans-80.8130.7-174.100000111.5I20 T42 S78 L79 K80A18-I20 VanDerWaalsContact C-N 3.33Å; A18-T42 CarbonylContact C-O 3.49Å; A18-T42 WeakPolarHBondContact CA-O 3.17Å; A18-T42 HydrophobicContact CB-CG2 4.27Å; A18-S78 PolarHBondContact N-O 3.36Å; A18-L79 HydrophobicContact CB-CD2 3.89Å; A18-K80 WeakPolarHBondContact O-CB 3.49Å; A18-K80 WeakPolarHBondContact O-CG 3.41Å; A18-K80 PolarHBondContact O-N 3.19Å
19D98.4Very high77.2Confident35 Ų3567.4 Ų67.419%0.18736%0.356CS..SBendtrans-71.2-32.2174.8-60.9-66.7000111.3F41 T42 K80 K84D19-F41 HydrophobicContact CB-CB 4.33Å; D19-F41 HydrophobicContact CB-CD1 4.18Å; D19-T42 PolarHBondContact N-O 2.91Å; D19-T42 PolarHBondContact OD2-N 3.46Å; D19-K80 IonicContact OD1-NZ 3.29Å; D19-K80 PolarHBondContact OD1-NZ 2.84Å; D19-K80 IonicContact OD2-NZ 3.41Å; D19-K84 WeakPolarHBondContact O-CE 3.43Å
20I98.7Very high80.4Confident0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-151.7154.2178.9-171.6164.9000110.1A18 M36 V43 S44 K84 I113 I170A18-I20 VanDerWaalsContact C-N 3.33Å; I20-M36 HydrophobicContact CD1-CE 4.39Å; I20-M36 HydrophobicContact CD1-SD 4.38Å; I20-M36 HydrophobicContact CG2-SD 3.66Å; I20-V43 HydrophobicContact CG2-CG1 4.27Å; I20-V43 HydrophobicContact CG2-CG2 4.07Å; I20-V43 WeakPolarHBondContact O-CA 3.19Å; I20-S44 PolarHBondContact O-N 3.11Å; I20-K84 HydrophobicContact CB-CB 4.39Å; I20-K84 HydrophobicContact CD1-CB 4.48Å; I20-K84 HydrophobicContact CG1-CB 3.98Å; I20-I113 HydrophobicContact CD1-CD1 4.14Å; I20-I170 HydrophobicContact CB-CD1 3.97Å; I20-I170 HydrophobicContact CD1-CD1 4.3Å; I20-I170 HydrophobicContact CD1-CG2 4.5Å; I20-I170 HydrophobicContact CG2-CD1 4.28Å
21G98.7Very high83.5Confident0 Ų058 Ų580%030%0.296CS..EExtended strand (participates in β ladder)trans-112.5145.5172.500000112.3S44 F75 K84 M86G21-S44 CarbonylContact C-O 3.5Å; G21-S44 WeakPolarHBondContact CA-O 3.22Å; G21-F75 VanDerWaalsContact CA-CE2 3.49Å; G21-F75 VanDerWaalsContact CA-CZ 3.42Å; G21-K84 PolarHBondContact N-O 2.9Å; G21-M86 WeakPolarHBondContact O-CB 3.19Å; G21-M86 PolarHBondContact O-N 3.18Å
22M98.6Very high86.6Confident1 Ų151.2 Ų51.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-120.4126.2172.2-17767.370.400111.2L32 V33 M36 V43 S44 V45 Y46 M86 L88M22-L32 HydrophobicContact CE-CB 4.08Å; M22-L32 HydrophobicContact CE-CD1 4.16Å; M22-V33 HydrophobicContact CB-CG2 3.46Å; M22-V33 VanDerWaalsContact CB-CG2 3.46Å; M22-V33 HydrophobicContact CE-CG2 4.39Å; M22-V33 HydrophobicContact CG-CG2 3.59Å; M22-M36 HydrophobicContact CE-CE 3.99Å; M22-V43 HydrophobicContact CB-CG1 4.42Å; M22-S44 PolarHBondContact N-O 3.23Å; M22-V45 HydrophobicContact CB-CG1 4.41Å; M22-V45 WeakPolarHBondContact O-CA 3.31Å; M22-Y46 PolarHBondContact O-N 2.8Å; M22-M86 CarbonylContact C-O 3.59Å; M22-M86 WeakPolarHBondContact CA-O 3.46Å; M22-M86 HydrophobicContact CE-CB 4.19Å; M22-M86 HydrophobicContact CE-CE 4.36Å; M22-M86 HydrophobicContact CE-CG 3.92Å; M22-M86 HydrophobicContact CE-SD 3.56Å; M22-M86 VanDerWaalsContact CE-SD 3.56Å; M22-M86 HydrophobicContact SD-CB 4.1Å; M22-M86 HydrophobicContact SD-CG 3.95Å; M22-M86 HydrophobicContact SD-SD 4.37Å; M22-L88 HydrophobicContact SD-CB 3.74Å
23I98.7Very high89.5Confident0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-109.2115.7171.9-63.1167.7000108.8Y46 L72 F75 M86 L87 L88 V89 F98 L102I23-Y46 WeakPolarHBondContact CA-O 3.38Å; I23-Y46 HydrophobicContact CG1-CD1 4.24Å; I23-Y46 HydrophobicContact CG2-CD1 4.22Å; I23-L72 HydrophobicContact CD1-CD2 3.92Å; I23-F75 HydrophobicContact CD1-CD1 4.2Å; I23-F75 HydrophobicContact CD1-CE1 3.69Å; I23-F75 HydrophobicContact CD1-CZ 3.99Å; I23-F75 HydrophobicContact CG1-CD1 4.46Å; I23-F75 HydrophobicContact CG1-CE1 3.9Å; I23-F75 HydrophobicContact CG1-CE2 4.12Å; I23-F75 HydrophobicContact CG1-CZ 3.68Å; I23-M86 PolarHBondContact N-O 2.92Å; I23-L87 HydrophobicContact CB-CD2 3.8Å; I23-L87 HydrophobicContact CD1-CD2 3.62Å; I23-L87 HydrophobicContact CG1-CD2 4.22Å; I23-L87 HydrophobicContact CG2-CD2 4.2Å; I23-L88 PolarHBondContact O-N 2.77Å; I23-V89 HydrophobicContact CG2-CG1 4.3Å; I23-F98 HydrophobicContact CD1-CD1 4.42Å; I23-F98 HydrophobicContact CG2-CD1 3.87Å; I23-F98 HydrophobicContact CG2-CD2 4.26Å; I23-F98 HydrophobicContact CG2-CE1 3.51Å; I23-F98 HydrophobicContact CG2-CE2 3.93Å; I23-F98 HydrophobicContact CG2-CG 4.23Å; I23-F98 HydrophobicContact CG2-CZ 3.54Å; I23-L102 HydrophobicContact CD1-CD1 3.87Å; I23-L102 HydrophobicContact CD1-CD2 4.06Å; I23-L102 HydrophobicContact CD1-CG 4.33Å
24G97.8Very high92.3Very high4 Ų434 Ų344%0.04119%0.186CC..  trans115.2101.4-179.800000112.3Y46G24-Y46 PolarHBondContact N-O 3.49Å; G24-Y46 VanDerWaalsContact N-O 3.08Å
25L97.3Very high94.5Very high1 Ų131.1 Ų31.11%0.00517%0.168CC..  trans-10649.5-175.7-64.9175.7000112.2Q30 V45 N47 V53 F56L25-Q30 HydrophobicContact CB-CG 4.18Å; L25-Q30 HydrophobicContact CD2-CG 4.33Å; L25-Q30 PolarHBondContact O-NE2 2.79Å; L25-V45 HydrophobicContact CD1-CB 4.27Å; L25-V45 HydrophobicContact CD1-CG2 4.3Å; L25-V45 HydrophobicContact CD2-CB 4.1Å; L25-V45 HydrophobicContact CD2-CG1 4.08Å; L25-N47 HydrophobicContact CB-CB 4.38Å; L25-N47 HydrophobicContact CD1-CB 4.2Å; L25-N47 HydrophobicContact CG-CB 4.25Å; L25-N47 PolarHBondContact N-OD1 3.35Å; L25-V53 HydrophobicContact CD1-CB 4.35Å; L25-V53 HydrophobicContact CD1-CG2 3.88Å; L25-F56 HydrophobicContact CD1-CB 4.25Å; L25-F56 HydrophobicContact CD1-CD1 4.14Å; L25-F56 HydrophobicContact CD1-CG 4.46Å; L25-F56 HydrophobicContact CD2-CD1 4.07Å; L25-F56 HydrophobicContact CD2-CE1 4.21Å
26A94.7Very high96.1Very high56 Ų5623.7 Ų23.746%0.46313%0.131SC..SBendtrans-77.8175.8160.600000110M28 G29 Q30A26-M28 VanDerWaalsContact C-N 3.29Å; A26-M28 PolarHBondContact O-N 3.39Å; A26-G29 WeakPolarHBondContact O-CA 3.3Å; A26-G29 PolarHBondContact O-N 3Å; A26-Q30 PolarHBondContact O-N 3.46Å
27V93.2Very high97.2Very high70 Ų7022.3 Ų22.342%0.42412%0.117SC..Hα-helixtrans-47.9-48.1-178.5175.40000112.7G29 N31 E146V27-G29 VanDerWaalsContact C-N 3.33Å; V27-G29 PolarHBondContact O-N 2.67Å; V27-N31 WeakPolarHBondContact O-CB 3.4Å; V27-N31 PolarHBondContact O-N 3Å; V27-N31 VanDerWaalsContact O-N 3.11Å; V27-N31 PolarHBondContact O-ND2 3.22Å; V27-E146 HydrophobicContact CG1-CB 3.73Å; V27-E146 HydrophobicContact CG1-CG 3.47Å; V27-E146 VanDerWaalsContact CG1-CG 3.47Å; V27-E146 WeakPolarHBondContact CG1-OE1 3.29Å
28M93.5Very high97.6Very high55 Ų5519.8 Ų19.827%0.27111%0.114SC..Hα-helixtrans-61.6-39.6177.5-70.1-66-60.600113A26 L32 L88 V142 A149A26-M28 VanDerWaalsContact C-N 3.29Å; A26-M28 PolarHBondContact O-N 3.39Å; M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 PolarHBondContact O-N 3.29Å; M28-L88 VanDerWaalsContact C-CD2 3.5Å; M28-L88 HydrophobicContact CB-CD2 3.5Å; M28-L88 VanDerWaalsContact CB-CD2 3.5Å; M28-V142 HydrophobicContact CE-CG1 3.86Å; M28-A149 HydrophobicContact CE-CB 3.84Å; M28-A149 HydrophobicContact SD-CB 4.12Å
29G96.5Very high97.6Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-73.3-42.8-176.800000112A26 V27 L32 V33 L88A26-G29 WeakPolarHBondContact O-CA 3.3Å; A26-G29 PolarHBondContact O-N 3Å; V27-G29 VanDerWaalsContact C-N 3.33Å; V27-G29 PolarHBondContact O-N 2.67Å; G29-L32 PolarHBondContact O-N 3.05Å; G29-V33 WeakPolarHBondContact O-CB 3.35Å; G29-V33 WeakPolarHBondContact O-CG2 3.41Å; G29-V33 PolarHBondContact O-N 2.96Å; G29-L88 VanDerWaalsContact CA-CD2 3.41Å; G29-L88 VanDerWaalsContact N-CD2 3.26Å
30Q97.8Very high97.5Very high43 Ų4325 Ų2520%0.20115%0.153CC..Hα-helixtrans-59.8-48.5175.3-67-179.718.400111.1L25 A26 L32 V33 L34 F56L25-Q30 HydrophobicContact CB-CG 4.18Å; L25-Q30 HydrophobicContact CD2-CG 4.33Å; L25-Q30 PolarHBondContact O-NE2 2.79Å; A26-Q30 PolarHBondContact O-N 3.46Å; Q30-L32 PolarHBondContact O-N 2.86Å; Q30-V33 PolarHBondContact O-N 2.7Å; Q30-L34 WeakPolarHBondContact O-CG 3.4Å; Q30-L34 PolarHBondContact O-N 2.88Å; Q30-F56 HydrophobicContact CB-CD2 4.06Å; Q30-F56 HydrophobicContact CB-CE2 3.66Å; Q30-F56 HydrophobicContact CB-CZ 4.28Å; Q30-F56 HydrophobicContact CG-CD2 3.69Å; Q30-F56 HydrophobicContact CG-CE2 3.82Å; Q30-F56 HydrophobicContact CG-CG 4.3Å; Q30-F56 HydrophobicContact CG-CZ 4.49Å
31N98Very high97.5Very high22 Ų2226.7 Ų26.712%0.11816%0.16CC..Hα-helixtrans-66.5-39.2-179-77.7-65.6000113V27 V33 L34 N35 A149 R150V27-N31 WeakPolarHBondContact O-CB 3.4Å; V27-N31 PolarHBondContact O-N 3Å; V27-N31 VanDerWaalsContact O-N 3.11Å; V27-N31 PolarHBondContact O-ND2 3.22Å; N31-V33 VanDerWaalsContact C-N 3.35Å; N31-V33 PolarHBondContact O-N 2.8Å; N31-L34 PolarHBondContact O-N 2.91Å; N31-N35 VanDerWaalsContact O-CB 3.31Å; N31-N35 WeakPolarHBondContact O-CB 3.45Å; N31-N35 PolarHBondContact O-N 3.03Å; N31-A149 HydrophobicContact CB-CB 3.73Å; N31-R150 HydrophobicContact CB-CB 3.98Å; N31-R150 WeakPolarHBondContact OD1-CB 3.33Å; N31-R150 WeakPolarHBondContact OD1-CD 3.2Å
32L98Very high97.5Very high1 Ų128.3 Ų28.31%0.00517%0.17CC..Hα-helixtrans-62.1-41.1172.6-89.3176.1000112.6M22 M28 G29 Q30 N35 M36 M86 L88 V142 A149 P153 I174M22-L32 HydrophobicContact CE-CB 4.08Å; M22-L32 HydrophobicContact CE-CD1 4.16Å; M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 PolarHBondContact O-N 3.29Å; G29-L32 PolarHBondContact O-N 3.05Å; Q30-L32 PolarHBondContact O-N 2.86Å; L32-N35 WeakPolarHBondContact O-CB 3.34Å; L32-N35 PolarHBondContact O-N 3.09Å; L32-M36 WeakPolarHBondContact O-CG 3.29Å; L32-M36 PolarHBondContact O-N 3.46Å; L32-M86 HydrophobicContact CD1-CE 4.18Å; L32-L88 HydrophobicContact CD1-CD1 4.19Å; L32-L88 HydrophobicContact CD1-CD2 4.03Å; L32-V142 HydrophobicContact CD1-CG1 4.03Å; L32-V142 HydrophobicContact CD1-CG2 4.38Å; L32-V142 HydrophobicContact CD2-CG1 4.49Å; L32-A149 HydrophobicContact CG-CB 4.21Å; L32-P153 HydrophobicContact CD2-CG 3.83Å; L32-I174 HydrophobicContact CD2-CD1 4.11Å
33V98.4Very high97.5Very high0 Ų028.2 Ų28.20%017%0.17CC..Hα-helixtrans-64.7-44.5178.2169.40000110.8M22 G29 Q30 N31 N35 M36 N37 V43 V45 F56 I66M22-V33 HydrophobicContact CB-CG2 3.46Å; M22-V33 VanDerWaalsContact CB-CG2 3.46Å; M22-V33 HydrophobicContact CE-CG2 4.39Å; M22-V33 HydrophobicContact CG-CG2 3.59Å; G29-V33 WeakPolarHBondContact O-CB 3.35Å; G29-V33 WeakPolarHBondContact O-CG2 3.41Å; G29-V33 PolarHBondContact O-N 2.96Å; Q30-V33 PolarHBondContact O-N 2.7Å; N31-V33 VanDerWaalsContact C-N 3.35Å; N31-V33 PolarHBondContact O-N 2.8Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3Å; V33-M36 PolarHBondContact O-N 3.28Å; V33-N37 PolarHBondContact O-N 3.03Å; V33-V43 HydrophobicContact CB-CG1 4.44Å; V33-V43 HydrophobicContact CG1-CB 4.03Å; V33-V43 HydrophobicContact CG1-CG1 3.87Å; V33-V43 HydrophobicContact CG1-CG2 4.47Å; V33-V43 HydrophobicContact CG2-CG1 4.04Å; V33-V45 HydrophobicContact CB-CG1 4.37Å; V33-V45 HydrophobicContact CG1-CG1 3.71Å; V33-V45 HydrophobicContact CG2-CG1 3.78Å; V33-F56 HydrophobicContact CB-CE1 4.44Å; V33-F56 HydrophobicContact CB-CZ 4.26Å; V33-F56 HydrophobicContact CG1-CE1 3.92Å; V33-F56 HydrophobicContact CG1-CZ 4.01Å; V33-I66 HydrophobicContact CG1-CD1 3.49Å; V33-I66 VanDerWaalsContact CG1-CD1 3.49Å; V33-I66 HydrophobicContact CG1-CG1 3.8Å; V33-I66 HydrophobicContact CG1-CG2 3.92Å
34L98.5Very high97.5Very high15 Ų1528.2 Ų28.28%0.07917%0.17CC..Hα-helixtrans-62.6-41.3175.7-68.1169.7000111.4Q30 N31 M36 N37 D38 F56 E60 A61 T64 I66Q30-L34 WeakPolarHBondContact O-CG 3.4Å; Q30-L34 PolarHBondContact O-N 2.88Å; N31-L34 PolarHBondContact O-N 2.91Å; L34-M36 PolarHBondContact O-N 2.82Å; L34-N37 PolarHBondContact O-N 2.8Å; L34-D38 VanDerWaalsContact O-CG 3.29Å; L34-D38 PolarHBondContact O-N 3.35Å; L34-F56 HydrophobicContact CD1-CE2 4.32Å; L34-F56 HydrophobicContact CD2-CE2 4.4Å; L34-F56 HydrophobicContact CD2-CZ 4.22Å; L34-F56 HydrophobicContact CG-CE2 4.21Å; L34-F56 HydrophobicContact CG-CZ 4.11Å; L34-E60 HydrophobicContact CD1-CB 4.2Å; L34-E60 WeakPolarHBondContact CD2-O 3.49Å; L34-A61 HydrophobicContact CD2-CB 4.48Å; L34-T64 HydrophobicContact CD2-CG2 4.36Å; L34-I66 HydrophobicContact CD2-CD1 3.9Å
35N98.6Very high97.6Very high1 Ų128 Ų281%0.00517%0.168CC..Hα-helixtrans-59.8-46.9175-173.2-7.6000111.6N31 L32 V33 N37 D38 H39 A149 R150 P153 I174N31-N35 VanDerWaalsContact O-CB 3.31Å; N31-N35 WeakPolarHBondContact O-CB 3.45Å; N31-N35 PolarHBondContact O-N 3.03Å; L32-N35 WeakPolarHBondContact O-CB 3.34Å; L32-N35 PolarHBondContact O-N 3.09Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3Å; N35-N37 VanDerWaalsContact C-N 3.35Å; N35-N37 PolarHBondContact O-N 3.43Å; N35-D38 PolarHBondContact O-N 3.29Å; N35-H39 PolarHBondContact O-N 3.14Å; N35-H39 VanDerWaalsContact O-N 3.16Å; N35-H39 PolarHBondContact O-ND1 3.2Å; N35-H39 PolarHBondContact OD1-CE1 3.07Å; N35-H39 PolarHBondContact OD1-ND1 3.44Å; N35-A149 WeakPolarHBondContact CB-O 3.29Å; N35-A149 PolarHBondContact ND2-O 2.95Å; N35-R150 WeakPolarHBondContact CB-O 3.41Å; N35-P153 WeakPolarHBondContact ND2-CD 3.46Å; N35-I174 PolarHBondContact ND2-O 3.19Å
36M98.6Very high97.6Very high1 Ų129.4 Ų29.41%0.00517%0.173CC..Hα-helixtrans-60.1-42.4174.7-71.2172.9-162.300112.5I20 M22 L32 V33 L34 H39 G40 F41 V43 M86 I170 I174I20-M36 HydrophobicContact CD1-CE 4.39Å; I20-M36 HydrophobicContact CD1-SD 4.38Å; I20-M36 HydrophobicContact CG2-SD 3.66Å; M22-M36 HydrophobicContact CE-CE 3.99Å; L32-M36 WeakPolarHBondContact O-CG 3.29Å; L32-M36 PolarHBondContact O-N 3.46Å; V33-M36 PolarHBondContact O-N 3.28Å; L34-M36 PolarHBondContact O-N 2.82Å; M36-H39 CarbonylContact O-C 3.49Å; M36-H39 PolarHBondContact O-N 2.92Å; M36-G40 PolarHBondContact O-N 2.84Å; M36-F41 HydrophobicContact CB-CB 4.45Å; M36-F41 WeakPolarHBondContact O-CB 3.46Å; M36-F41 WeakPolarHBondContact O-CD2 3.29Å; M36-F41 PolarHBondContact O-N 3.46Å; M36-F41 VanDerWaalsContact O-N 3.08Å; M36-V43 HydrophobicContact CB-CG2 3.54Å; M36-V43 HydrophobicContact CG-CG2 4.48Å; M36-V43 HydrophobicContact SD-CG2 4.2Å; M36-M86 HydrophobicContact CE-SD 4.1Å; M36-I170 HydrophobicContact CG-CG2 4.25Å; M36-I170 HydrophobicContact SD-CG2 4.47Å; M36-I174 HydrophobicContact CB-CG2 4.29Å; M36-I174 HydrophobicContact CE-CD1 3.64Å; M36-I174 HydrophobicContact CG-CD1 3.82Å; M36-I174 HydrophobicContact CG-CG2 3.8Å
37N98.4Very high97.8Very high19 Ų1927.7 Ų27.710%0.10216%0.156CC..Hα-helixtrans-60.5-45.1176.1171.185.5000112.1V33 L34 N35 H39 G40 F41 T64 N65 I66V33-N37 PolarHBondContact O-N 3.03Å; L34-N37 PolarHBondContact O-N 2.8Å; N35-N37 VanDerWaalsContact C-N 3.35Å; N35-N37 PolarHBondContact O-N 3.43Å; N37-H39 PolarHBondContact O-N 3.35Å; N37-G40 PolarHBondContact O-N 3.18Å; N37-F41 WeakPolarHBondContact CA-O 3.42Å; N37-T64 WeakPolarHBondContact OD1-CB 3.34Å; N37-N65 PolarHBondContact OD1-N 2.88Å; N37-I66 HydrophobicContact CB-CD1 4.08Å; N37-I66 HydrophobicContact CB-CG1 4.01Å
38D98.2Very high97.8Very high91 Ų9133.2 Ų33.249%0.48717%0.169SC..Hα-helixtrans-65.6-25.6-179.3-70.11.6000112.5L34 N35 G40 R150L34-D38 VanDerWaalsContact O-CG 3.29Å; L34-D38 PolarHBondContact O-N 3.35Å; N35-D38 PolarHBondContact O-N 3.29Å; D38-G40 PolarHBondContact O-N 2.95Å; D38-R150 IonicContact OD1-NH2 2.7Å; D38-R150 IonicContact OD2-CZ 3.96Å; D38-R150 IonicContact OD2-NH1 2.79Å; D38-R150 PolarHBondContact OD2-NH1 3.46Å; D38-R150 IonicContact OD2-NH2 2.86Å; D38-R150 PolarHBondContact OD2-NH2 2.86Å
39H98.4Very high97.9Very high87 Ų8733.8 Ų33.840%0.40318%0.176SC..THydrogen-bonded Turntrans-87.613.4172.7-68.885.1000113.5N35 M36 N37 F41 A173 I174N35-H39 PolarHBondContact O-N 3.14Å; N35-H39 VanDerWaalsContact O-N 3.16Å; N35-H39 PolarHBondContact O-ND1 3.2Å; N35-H39 PolarHBondContact OD1-CE1 3.07Å; N35-H39 PolarHBondContact OD1-ND1 3.44Å; M36-H39 CarbonylContact O-C 3.49Å; M36-H39 PolarHBondContact O-N 2.92Å; N37-H39 PolarHBondContact O-N 3.35Å; H39-F41 HydrophobicContact CB-CD2 4.04Å; H39-F41 HydrophobicContact CB-CE2 3.95Å; H39-A173 HydrophobicContact CB-CB 4.39Å; H39-A173 PolarHBondContact CD2-O 3.44Å; H39-A173 VanDerWaalsContact CD2-O 3.29Å; H39-A173 PolarHBondContact NE2-O 3Å; H39-I174 HydrophobicContact CB-CG2 4.16Å
40G97.7Very high97.9Very high58 Ų5836 Ų3660%0.59819%0.19SC*.THydrogen-bonded Turntrans84.710.3170.800000115.2M36 N37 D38M36-G40 PolarHBondContact O-N 2.84Å; N37-G40 PolarHBondContact O-N 3.18Å; D38-G40 PolarHBondContact O-N 2.95Å
41F98.3Very high97.8Very high35 Ų3537.5 Ų37.515%0.15421%0.205CC..  trans-89.2136176.3-58.4-71.6000111.3D19 M36 N37 H39 I170 A173D19-F41 HydrophobicContact CB-CB 4.33Å; D19-F41 HydrophobicContact CB-CD1 4.18Å; M36-F41 HydrophobicContact CB-CB 4.45Å; M36-F41 WeakPolarHBondContact O-CB 3.46Å; M36-F41 WeakPolarHBondContact O-CD2 3.29Å; M36-F41 PolarHBondContact O-N 3.46Å; M36-F41 VanDerWaalsContact O-N 3.08Å; N37-F41 WeakPolarHBondContact CA-O 3.42Å; H39-F41 HydrophobicContact CB-CD2 4.04Å; H39-F41 HydrophobicContact CB-CE2 3.95Å; F41-I170 HydrophobicContact CD1-CD1 4.45Å; F41-I170 HydrophobicContact CD1-CG1 3.9Å; F41-I170 HydrophobicContact CD2-CG2 4.08Å; F41-I170 HydrophobicContact CE1-CB 4.41Å; F41-I170 HydrophobicContact CE1-CG1 3.68Å; F41-I170 HydrophobicContact CE2-CB 4.35Å; F41-I170 HydrophobicContact CE2-CG1 4.46Å; F41-I170 HydrophobicContact CE2-CG2 4.17Å; F41-I170 HydrophobicContact CG-CG1 4.38Å; F41-I170 HydrophobicContact CG-CG2 4.35Å; F41-I170 HydrophobicContact CZ-CB 4.23Å; F41-I170 HydrophobicContact CZ-CG1 3.99Å; F41-A173 HydrophobicContact CE2-CB 3.73Å; F41-A173 HydrophobicContact CZ-CB 4.05Å
42T98.5Very high97.8Very high34 Ų3440.7 Ų40.721%0.20922%0.218CC..  trans-80.5120.4170-58.60000108.6A18 D19 I67A18-T42 CarbonylContact C-O 3.49Å; A18-T42 WeakPolarHBondContact CA-O 3.17Å; A18-T42 HydrophobicContact CB-CG2 4.27Å; D19-T42 PolarHBondContact N-O 2.91Å; D19-T42 PolarHBondContact OD2-N 3.46Å; T42-I67 HydrophobicContact CG2-CD1 3.85Å; T42-I67 HydrophobicContact CG2-CG1 4.31Å
43V98.6Very high97.8Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-111.5128.9-176.7-170.40000110.7I20 M22 V33 M36 V45 I66 I67I20-V43 HydrophobicContact CG2-CG1 4.27Å; I20-V43 HydrophobicContact CG2-CG2 4.07Å; I20-V43 WeakPolarHBondContact O-CA 3.19Å; M22-V43 HydrophobicContact CB-CG1 4.42Å; V33-V43 HydrophobicContact CB-CG1 4.44Å; V33-V43 HydrophobicContact CG1-CB 4.03Å; V33-V43 HydrophobicContact CG1-CG1 3.87Å; V33-V43 HydrophobicContact CG1-CG2 4.47Å; V33-V43 HydrophobicContact CG2-CG1 4.04Å; M36-V43 HydrophobicContact CB-CG2 3.54Å; M36-V43 HydrophobicContact CG-CG2 4.48Å; M36-V43 HydrophobicContact SD-CG2 4.2Å; V43-V45 HydrophobicContact CG1-CG1 4.29Å; V43-I66 CarbonylContact O-C 3.58Å; V43-I66 WeakPolarHBondContact O-CA 3.31Å; V43-I67 PolarHBondContact O-N 3.3Å
44S98.6Very high97.7Very high0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-91.5136.2168.2-168.90000109.7I20 G21 M22 I67 T69 F75 S78I20-S44 PolarHBondContact O-N 3.11Å; G21-S44 CarbonylContact C-O 3.5Å; G21-S44 WeakPolarHBondContact CA-O 3.22Å; M22-S44 PolarHBondContact N-O 3.23Å; S44-I67 CarbonylContact C-O 3.59Å; S44-I67 WeakPolarHBondContact CA-O 3.41Å; S44-T69 VanDerWaalsContact OG-CG2 3.31Å; S44-T69 WeakPolarHBondContact OG-CG2 3.41Å; S44-F75 WeakPolarHBondContact O-CE2 3.43Å; S44-S78 WeakPolarHBondContact CB-OG 3.19Å; S44-S78 PolarHBondContact OG-OG 3.04Å
45V98.7Very high97.7Very high0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-120.9142.1-179.7-62.50000112M22 L25 V33 V43 V53 F56 I57 I66 I67 T69M22-V45 HydrophobicContact CB-CG1 4.41Å; M22-V45 WeakPolarHBondContact O-CA 3.31Å; L25-V45 HydrophobicContact CD1-CB 4.27Å; L25-V45 HydrophobicContact CD1-CG2 4.3Å; L25-V45 HydrophobicContact CD2-CB 4.1Å; L25-V45 HydrophobicContact CD2-CG1 4.08Å; V33-V45 HydrophobicContact CB-CG1 4.37Å; V33-V45 HydrophobicContact CG1-CG1 3.71Å; V33-V45 HydrophobicContact CG2-CG1 3.78Å; V43-V45 HydrophobicContact CG1-CG1 4.29Å; V45-V53 HydrophobicContact CG2-CG1 4.18Å; V45-F56 HydrophobicContact CG1-CE1 4.26Å; V45-F56 HydrophobicContact CG2-CD1 4.32Å; V45-I57 HydrophobicContact CG2-CD1 4.19Å; V45-I66 HydrophobicContact CG1-CG2 3.76Å; V45-I66 HydrophobicContact CG2-CG2 3.96Å; V45-I67 PolarHBondContact N-O 3.33Å; V45-T69 PolarHBondContact O-N 3.1Å; V45-T69 PolarHBondContact O-OG1 3.43Å
46Y98.6Very high97.6Very high29 Ų2950.2 Ų50.211%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-140.2154172.7179.4-104.7000110.5M22 I23 G24 L72 F98M22-Y46 PolarHBondContact O-N 2.8Å; I23-Y46 WeakPolarHBondContact CA-O 3.38Å; I23-Y46 HydrophobicContact CG1-CD1 4.24Å; I23-Y46 HydrophobicContact CG2-CD1 4.22Å; G24-Y46 PolarHBondContact N-O 3.49Å; G24-Y46 VanDerWaalsContact N-O 3.08Å; Y46-L72 HydrophobicContact CD1-CD2 3.53Å; Y46-L72 HydrophobicContact CD1-CG 4.09Å; Y46-L72 HydrophobicContact CE1-CD1 4.44Å; Y46-L72 HydrophobicContact CE1-CD2 3.57Å; Y46-L72 HydrophobicContact CE1-CG 3.63Å; Y46-L72 HydrophobicContact CG-CD2 4.32Å; Y46-F98 HydrophobicContact CD1-CE1 4.35Å; Y46-F98 AromaticContact CE1-CE1 3.99Å; Y46-F98 HydrophobicContact CE1-CE1 3.99Å; Y46-F98 HydrophobicContact CE1-CZ 4.48Å
47N97.9Very high97.6Very high21 Ų2152.5 Ų52.511%0.11227%0.272CS..  trans-150.7144.6172.5-172.777.1000109.9L25 T49 K52 V53L25-N47 HydrophobicContact CB-CB 4.38Å; L25-N47 HydrophobicContact CD1-CB 4.2Å; L25-N47 HydrophobicContact CG-CB 4.25Å; L25-N47 PolarHBondContact N-OD1 3.35Å; N47-T49 PolarHBondContact ND2-N 3.43Å; N47-T49 VanDerWaalsContact ND2-N 3.11Å; N47-T49 PolarHBondContact ND2-O 3.19Å; N47-T49 CarbonylContact O-C 3.6Å; N47-T49 PolarHBondContact O-N 2.92Å; N47-K52 HydrophobicContact CB-CB 4.45Å; N47-V53 HydrophobicContact CB-CG2 3.9Å
48R94.2Very high97.6Very high185 Ų18557.6 Ų57.670%0.69830%0.295SS*.SBendtrans-51.2-43.6179.3-176177.768.2-178.21.8112.4F98R48-F98 HydrophobicContact CB-CZ 4.14Å
49T95.8Very high97.5Very high68 Ų6857.6 Ų57.642%0.41730%0.295SS..SBendtrans-90.3101.8171.5-51.50000108N47 S51 K52N47-T49 PolarHBondContact ND2-N 3.43Å; N47-T49 VanDerWaalsContact ND2-N 3.11Å; N47-T49 PolarHBondContact ND2-O 3.19Å; N47-T49 CarbonylContact O-C 3.6Å; N47-T49 PolarHBondContact O-N 2.92Å; T49-S51 WeakPolarHBondContact CG2-OG 3.43Å; T49-S51 PolarHBondContact O-N 2.76Å; T49-K52 WeakPolarHBondContact O-CB 3.44Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.12Å
50V95.3Very high97.4Very high46 Ų4658 Ų5828%0.27930%0.297SS..THydrogen-bonded Turntrans-61.7-28.7-172.7177.40000112.9K52 V53 K54 M70V50-K52 PolarHBondContact O-N 2.92Å; V50-V53 WeakPolarHBondContact O-CB 3.36Å; V50-V53 PolarHBondContact O-N 2.85Å; V50-K54 PolarHBondContact O-N 3.43Å; V50-M70 HydrophobicContact CG1-CB 4.43Å; V50-M70 HydrophobicContact CG1-SD 3.43Å; V50-M70 WeakPolarHBondContact CG1-SD 3.47Å
51S96.8Very high97.4Very high74 Ų7455.5 Ų55.552%0.51727%0.27SS..Hα-helixtrans-58.2-32175.860.50000113T49 V53 K54 E55T49-S51 WeakPolarHBondContact CG2-OG 3.43Å; T49-S51 PolarHBondContact O-N 2.76Å; S51-V53 VanDerWaalsContact C-N 3.28Å; S51-V53 PolarHBondContact O-N 2.95Å; S51-K54 PolarHBondContact O-N 3.41Å; S51-E55 WeakPolarHBondContact O-CB 3.21Å; S51-E55 PolarHBondContact O-N 2.88Å
52K97.3Very high97.4Very high89 Ų8961.6 Ų61.639%0.38730%0.297SS..Hα-helixtrans-65.4-30.2175.1-67.1-160.4172.6-163.10113.2N47 T49 V50 F56N47-K52 HydrophobicContact CB-CB 4.45Å; T49-K52 WeakPolarHBondContact O-CB 3.44Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.12Å; V50-K52 PolarHBondContact O-N 2.92Å; K52-F56 VanDerWaalsContact O-CB 3.31Å; K52-F56 WeakPolarHBondContact O-CB 3.38Å; K52-F56 PolarHBondContact O-N 2.7Å; K52-F56 VanDerWaalsContact O-N 3.14Å
53V98.1Very high97.3Very high0 Ų064.1 Ų64.10%033%0.329CS..Hα-helixtrans-67-47.2174.2176.10000109.4L25 V45 N47 V50 S51 F56 I57 M70L25-V53 HydrophobicContact CD1-CB 4.35Å; L25-V53 HydrophobicContact CD1-CG2 3.88Å; V45-V53 HydrophobicContact CG2-CG1 4.18Å; N47-V53 HydrophobicContact CB-CG2 3.9Å; V50-V53 WeakPolarHBondContact O-CB 3.36Å; V50-V53 PolarHBondContact O-N 2.85Å; S51-V53 VanDerWaalsContact C-N 3.28Å; S51-V53 PolarHBondContact O-N 2.95Å; V53-F56 PolarHBondContact O-N 2.93Å; V53-I57 HydrophobicContact CG1-CG1 4.32Å; V53-I57 WeakPolarHBondContact O-CB 3.21Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.39Å; V53-M70 HydrophobicContact CG1-CE 4.32Å
54K97Very high97.2Very high107 Ų10765.9 Ų65.947%0.46534%0.34SS..Hα-helixtrans-61.3-49.8179.5-64.2-176.7177.9-176.30111.7V50 S51 F56 I57 E58 M70V50-K54 PolarHBondContact O-N 3.43Å; S51-K54 PolarHBondContact O-N 3.41Å; K54-F56 VanDerWaalsContact C-N 3.34Å; K54-F56 PolarHBondContact O-N 3.32Å; K54-I57 PolarHBondContact O-N 3.42Å; K54-E58 WeakPolarHBondContact O-CB 3.45Å; K54-E58 VanDerWaalsContact O-CG 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.11Å; K54-E58 PolarHBondContact O-N 3.23Å; K54-M70 HydrophobicContact CG-CE 4.18Å; K54-M70 HydrophobicContact CG-SD 4.39Å
55E97.3Very high97Very high110 Ų11071 Ų7151%0.51437%0.368SS..Hα-helixtrans-54.8-49178-176.6-179.8-173.800111.6S51 I57 E58 N59S51-E55 WeakPolarHBondContact O-CB 3.21Å; S51-E55 PolarHBondContact O-N 2.88Å; E55-I57 PolarHBondContact O-N 3.38Å; E55-E58 PolarHBondContact O-N 3.02Å; E55-N59 VanDerWaalsContact O-CB 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.5Å; E55-N59 PolarHBondContact O-N 3.16Å; E55-N59 PolarHBondContact O-ND2 3.32Å
56F98.2Very high97Very high1 Ų171.8 Ų71.80%0.00437%0.372CS..Hα-helixtrans-63.5-43.1179.4177.2-118.7000112.8L25 Q30 V33 L34 V45 K52 V53 K54 N59 E60 A61 I66L25-F56 HydrophobicContact CD1-CB 4.25Å; L25-F56 HydrophobicContact CD1-CD1 4.14Å; L25-F56 HydrophobicContact CD1-CG 4.46Å; L25-F56 HydrophobicContact CD2-CD1 4.07Å; L25-F56 HydrophobicContact CD2-CE1 4.21Å; Q30-F56 HydrophobicContact CB-CD2 4.06Å; Q30-F56 HydrophobicContact CB-CE2 3.66Å; Q30-F56 HydrophobicContact CB-CZ 4.28Å; Q30-F56 HydrophobicContact CG-CD2 3.69Å; Q30-F56 HydrophobicContact CG-CE2 3.82Å; Q30-F56 HydrophobicContact CG-CG 4.3Å; Q30-F56 HydrophobicContact CG-CZ 4.49Å; V33-F56 HydrophobicContact CB-CE1 4.44Å; V33-F56 HydrophobicContact CB-CZ 4.26Å; V33-F56 HydrophobicContact CG1-CE1 3.92Å; V33-F56 HydrophobicContact CG1-CZ 4.01Å; L34-F56 HydrophobicContact CD1-CE2 4.32Å; L34-F56 HydrophobicContact CD2-CE2 4.4Å; L34-F56 HydrophobicContact CD2-CZ 4.22Å; L34-F56 HydrophobicContact CG-CE2 4.21Å; L34-F56 HydrophobicContact CG-CZ 4.11Å; V45-F56 HydrophobicContact CG1-CE1 4.26Å; V45-F56 HydrophobicContact CG2-CD1 4.32Å; K52-F56 VanDerWaalsContact O-CB 3.31Å; K52-F56 WeakPolarHBondContact O-CB 3.38Å; K52-F56 PolarHBondContact O-N 2.7Å; K52-F56 VanDerWaalsContact O-N 3.14Å; V53-F56 PolarHBondContact O-N 2.93Å; K54-F56 VanDerWaalsContact C-N 3.34Å; K54-F56 PolarHBondContact O-N 3.32Å; F56-N59 PolarHBondContact O-N 3.39Å; F56-E60 HydrophobicContact CD2-CB 3.9Å; F56-E60 HydrophobicContact CE2-CB 3.83Å; F56-E60 PolarHBondContact O-N 2.96Å; F56-A61 HydrophobicContact CD1-CB 3.98Å; F56-A61 HydrophobicContact CD2-CB 4.39Å; F56-A61 HydrophobicContact CE1-CB 3.68Å; F56-A61 HydrophobicContact CE2-CB 4.1Å; F56-A61 HydrophobicContact CG-CB 4.34Å; F56-A61 HydrophobicContact CZ-CB 3.75Å; F56-A61 WeakPolarHBondContact O-CB 3.34Å; F56-A61 PolarHBondContact O-N 3.23Å; F56-I66 HydrophobicContact CE1-CD1 4.23Å; F56-I66 HydrophobicContact CE1-CG2 4.15Å; F56-I66 HydrophobicContact CZ-CD1 4.15Å
57I98.1Very high97Very high49 Ų4972.9 Ų72.925%0.25138%0.379SS..Hα-helixtrans-67-36.1179.1-66.6-68.5000112.1V45 V53 K54 E55 A61 K62 I66V45-I57 HydrophobicContact CG2-CD1 4.19Å; V53-I57 HydrophobicContact CG1-CG1 4.32Å; V53-I57 WeakPolarHBondContact O-CB 3.21Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.39Å; K54-I57 PolarHBondContact O-N 3.42Å; E55-I57 PolarHBondContact O-N 3.38Å; I57-A61 HydrophobicContact CD1-CB 4.29Å; I57-K62 PolarHBondContact O-N 2.84Å; I57-I66 HydrophobicContact CD1-CB 4.35Å; I57-I66 HydrophobicContact CD1-CG2 3.85Å
58E97.3Very high97Very high126 Ų12672.7 Ų72.759%0.58938%0.382SS*.Hα-helixtrans-78.8-23.3-179.4-71.5171.1-175.300113K54 E55K54-E58 WeakPolarHBondContact O-CB 3.45Å; K54-E58 VanDerWaalsContact O-CG 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.11Å; K54-E58 PolarHBondContact O-N 3.23Å; E55-E58 PolarHBondContact O-N 3.02Å
59N97.4Very high97.2Very high91 Ų9163.9 Ų63.949%0.48735%0.349SS..THydrogen-bonded Turntrans-110.4-97.3-178.2-62.3-43.6000112E55 F56 A61 K62E55-N59 VanDerWaalsContact O-CB 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.5Å; E55-N59 PolarHBondContact O-N 3.16Å; E55-N59 PolarHBondContact O-ND2 3.32Å; F56-N59 PolarHBondContact O-N 3.39Å; N59-A61 VanDerWaalsContact C-N 3.31Å; N59-A61 PolarHBondContact O-N 2.96Å; N59-K62 WeakPolarHBondContact O-CB 3.42Å; N59-K62 PolarHBondContact O-N 2.91Å
60E96.6Very high97.2Very high96 Ų9664.7 Ų64.745%0.44935%0.349SS..THydrogen-bonded Turntrans-64.7-32.8-167-60.577.9-169.300113.1L34 F56L34-E60 HydrophobicContact CD1-CB 4.2Å; L34-E60 WeakPolarHBondContact CD2-O 3.49Å; F56-E60 HydrophobicContact CD2-CB 3.9Å; F56-E60 HydrophobicContact CE2-CB 3.83Å; F56-E60 PolarHBondContact O-N 2.96Å
61A97.5Very high97.3Very high4 Ų464.3 Ų64.33%0.03335%0.348CS..THydrogen-bonded Turntrans-92.37.3177.900000113.6L34 F56 I57 N59 G63 T64 I66L34-A61 HydrophobicContact CD2-CB 4.48Å; F56-A61 HydrophobicContact CD1-CB 3.98Å; F56-A61 HydrophobicContact CD2-CB 4.39Å; F56-A61 HydrophobicContact CE1-CB 3.68Å; F56-A61 HydrophobicContact CE2-CB 4.1Å; F56-A61 HydrophobicContact CG-CB 4.34Å; F56-A61 HydrophobicContact CZ-CB 3.75Å; F56-A61 WeakPolarHBondContact O-CB 3.34Å; F56-A61 PolarHBondContact O-N 3.23Å; I57-A61 HydrophobicContact CD1-CB 4.29Å; N59-A61 VanDerWaalsContact C-N 3.31Å; N59-A61 PolarHBondContact O-N 2.96Å; A61-G63 PolarHBondContact O-N 3.33Å; A61-T64 WeakPolarHBondContact O-CB 3.25Å; A61-T64 WeakPolarHBondContact O-CG2 3.21Å; A61-T64 PolarHBondContact O-N 2.93Å; A61-T64 VanDerWaalsContact O-N 3.16Å; A61-T64 PolarHBondContact O-OG1 3.45Å; A61-I66 HydrophobicContact CB-CB 4.22Å; A61-I66 HydrophobicContact CB-CD1 3.59Å; A61-I66 HydrophobicContact CB-CG1 4.49Å; A61-I66 HydrophobicContact CB-CG2 4.49Å
62K97.2Very high97.3Very high164 Ų16461.4 Ų61.471%0.71333%0.327SS*.THydrogen-bonded Turntrans-62.1127.9179.1-171.5179.9-173.2171.10111I57 N59 T64I57-K62 PolarHBondContact O-N 2.84Å; N59-K62 WeakPolarHBondContact O-CB 3.42Å; N59-K62 PolarHBondContact O-N 2.91Å; K62-T64 VanDerWaalsContact C-N 3.3Å
63G96.3Very high97.3Very high86 Ų8661.8 Ų61.889%0.88733%0.33SS*.THydrogen-bonded Turntrans80.17.618000000114.8A61A61-G63 PolarHBondContact O-N 3.33Å
64T97.4Very high97.3Very high38 Ų3865.1 Ų65.123%0.23335%0.346CS..SBendtrans-92.7178.5174.671.50000111.9L34 N37 A61 K62 I66L34-T64 HydrophobicContact CD2-CG2 4.36Å; N37-T64 WeakPolarHBondContact OD1-CB 3.34Å; A61-T64 WeakPolarHBondContact O-CB 3.25Å; A61-T64 WeakPolarHBondContact O-CG2 3.21Å; A61-T64 PolarHBondContact O-N 2.93Å; A61-T64 VanDerWaalsContact O-N 3.16Å; A61-T64 PolarHBondContact O-OG1 3.45Å; K62-T64 VanDerWaalsContact C-N 3.3Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 HydrophobicContact CG2-CD1 4.24Å; T64-I66 WeakPolarHBondContact OG1-CB 3.24Å; T64-I66 VanDerWaalsContact OG1-CD1 3.31Å; T64-I66 WeakPolarHBondContact OG1-CD1 3.46Å; T64-I66 VanDerWaalsContact OG1-CG1 3.31Å; T64-I66 WeakPolarHBondContact OG1-CG1 3.27Å; T64-I66 PolarHBondContact OG1-N 3.24Å
65N95Very high97.4Very high107 Ų10760 Ų6057%0.57232%0.324SS*.SBendtrans-89.313.2172.7-63.9-49000113N37N37-N65 PolarHBondContact OD1-N 2.88Å
66I98.2Very high97.4Very high16 Ų1655 Ų558%0.08230%0.3CS..  trans-75.9133.1-176.7-60.6162000109.9V33 L34 N37 V43 V45 F56 I57 A61 T64V33-I66 HydrophobicContact CG1-CD1 3.49Å; V33-I66 VanDerWaalsContact CG1-CD1 3.49Å; V33-I66 HydrophobicContact CG1-CG1 3.8Å; V33-I66 HydrophobicContact CG1-CG2 3.92Å; L34-I66 HydrophobicContact CD2-CD1 3.9Å; N37-I66 HydrophobicContact CB-CD1 4.08Å; N37-I66 HydrophobicContact CB-CG1 4.01Å; V43-I66 CarbonylContact O-C 3.58Å; V43-I66 WeakPolarHBondContact O-CA 3.31Å; V45-I66 HydrophobicContact CG1-CG2 3.76Å; V45-I66 HydrophobicContact CG2-CG2 3.96Å; F56-I66 HydrophobicContact CE1-CD1 4.23Å; F56-I66 HydrophobicContact CE1-CG2 4.15Å; F56-I66 HydrophobicContact CZ-CD1 4.15Å; I57-I66 HydrophobicContact CD1-CB 4.35Å; I57-I66 HydrophobicContact CD1-CG2 3.85Å; A61-I66 HydrophobicContact CB-CB 4.22Å; A61-I66 HydrophobicContact CB-CD1 3.59Å; A61-I66 HydrophobicContact CB-CG1 4.49Å; A61-I66 HydrophobicContact CB-CG2 4.49Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 HydrophobicContact CG2-CD1 4.24Å; T64-I66 WeakPolarHBondContact OG1-CB 3.24Å; T64-I66 VanDerWaalsContact OG1-CD1 3.31Å; T64-I66 WeakPolarHBondContact OG1-CD1 3.46Å; T64-I66 VanDerWaalsContact OG1-CG1 3.31Å; T64-I66 WeakPolarHBondContact OG1-CG1 3.27Å; T64-I66 PolarHBondContact OG1-N 3.24Å
67I97.8Very high97.4Very high52 Ų5261.2 Ų61.227%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-103.7114.5-179-56.7171.9000108.9R17 T42 V43 S44 V45 T69R17-I67 HydrophobicContact CB-CD1 4.22Å; T42-I67 HydrophobicContact CG2-CD1 3.85Å; T42-I67 HydrophobicContact CG2-CG1 4.31Å; V43-I67 PolarHBondContact O-N 3.3Å; S44-I67 CarbonylContact C-O 3.59Å; S44-I67 WeakPolarHBondContact CA-O 3.41Å; V45-I67 PolarHBondContact N-O 3.33Å; I67-T69 HydrophobicContact CG2-CG2 4.24Å
68G97.7Very high97.3Very high18 Ų1859.2 Ų59.219%0.18632%0.32CS..EExtended strand (participates in β ladder)trans-80129.2170.600000111.5
69T98Very high97.4Very high0 Ų053.3 Ų53.30%029%0.292CS..  trans-117.4146.8177.360.10000111.5S44 V45 I67 E74 F75S44-T69 VanDerWaalsContact OG-CG2 3.31Å; S44-T69 WeakPolarHBondContact OG-CG2 3.41Å; V45-T69 PolarHBondContact O-N 3.1Å; V45-T69 PolarHBondContact O-OG1 3.43Å; I67-T69 HydrophobicContact CG2-CG2 4.24Å; T69-E74 HydrophobicContact CG2-CG 3.89Å; T69-F75 WeakPolarHBondContact OG1-CB 3.4Å
70M97Very high97.4Very high84 Ų8452.9 Ų52.941%0.41429%0.286SS..SBendtrans-103.7-14.6-170.4-55.5-62.2152.700112.8V50 V53 K54 E74V50-M70 HydrophobicContact CG1-CB 4.43Å; V50-M70 HydrophobicContact CG1-SD 3.43Å; V50-M70 WeakPolarHBondContact CG1-SD 3.47Å; V53-M70 HydrophobicContact CG1-CE 4.32Å; K54-M70 HydrophobicContact CG-CE 4.18Å; K54-M70 HydrophobicContact CG-SD 4.39Å; M70-E74 PolarHBondContact N-OE2 3.04Å
71S97.3Very high97.5Very high38 Ų3856.1 Ų56.127%0.26629%0.294SS..SBendtrans-137.6164.317287.10000112.2E73 E74 F75S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.42Å; S71-E73 PolarHBondContact O-N 2.95Å; S71-E73 PolarHBondContact OG-N 3.23Å; S71-E73 PolarHBondContact OG-OE2 2.85Å; S71-E74 PolarHBondContact O-N 3.49Å; S71-E74 PolarHBondContact OG-N 3.25Å; S71-F75 WeakPolarHBondContact O-CB 3.4Å; S71-F75 PolarHBondContact O-N 3.02Å
72L97.1Very high97.5Very high14 Ų1457.6 Ų57.67%0.07330%0.303CS..Hα-helixtrans-66.6-32.5175.6-81.2173.2000111.9I23 Y46 F75 V76 F98 K101 L102 L105I23-L72 HydrophobicContact CD1-CD2 3.92Å; Y46-L72 HydrophobicContact CD1-CD2 3.53Å; Y46-L72 HydrophobicContact CD1-CG 4.09Å; Y46-L72 HydrophobicContact CE1-CD1 4.44Å; Y46-L72 HydrophobicContact CE1-CD2 3.57Å; Y46-L72 HydrophobicContact CE1-CG 3.63Å; Y46-L72 HydrophobicContact CG-CD2 4.32Å; L72-F75 WeakPolarHBondContact O-CB 3.17Å; L72-F75 PolarHBondContact O-N 3.34Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.08Å; L72-F98 HydrophobicContact CD1-CD1 4.5Å; L72-F98 HydrophobicContact CD1-CE1 4.47Å; L72-F98 HydrophobicContact CD2-CD1 4.46Å; L72-F98 HydrophobicContact CD2-CE1 4.33Å; L72-K101 HydrophobicContact CD1-CB 3.71Å; L72-K101 HydrophobicContact CD1-CD 4.08Å; L72-L102 HydrophobicContact CD2-CD2 4.13Å; L72-L105 HydrophobicContact CB-CD1 3.99Å
73E97.5Very high97.6Very high96 Ų9650.9 Ų50.945%0.44927%0.273SS..Hα-helixtrans-65.8-46.3176.4-59.375.3-167.100110.9S71 F75 V76 Q77 L105S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.42Å; S71-E73 PolarHBondContact O-N 2.95Å; S71-E73 PolarHBondContact OG-N 3.23Å; S71-E73 PolarHBondContact OG-OE2 2.85Å; E73-F75 VanDerWaalsContact C-N 3.34Å; E73-V76 PolarHBondContact O-N 2.78Å; E73-Q77 WeakPolarHBondContact O-CB 3.31Å; E73-Q77 VanDerWaalsContact O-CG 3.22Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.39Å; E73-L105 HydrophobicContact CG-CD1 4.27Å; E73-L105 HydrophobicContact CG-CD2 4.12Å
74E97.2Very high97.7Very high71 Ų7147.7 Ų47.733%0.33224%0.235SC..Hα-helixtrans-61.6-44.4175-173.8-173.4-17900110.8T69 M70 S71 V76 Q77 S78T69-E74 HydrophobicContact CG2-CG 3.89Å; M70-E74 PolarHBondContact N-OE2 3.04Å; S71-E74 PolarHBondContact O-N 3.49Å; S71-E74 PolarHBondContact OG-N 3.25Å; E74-V76 PolarHBondContact O-N 2.87Å; E74-Q77 PolarHBondContact O-N 2.9Å; E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 3.08Å
75F98.2Very high97.8Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-53.4-55.7174.3175.6-99000111.3G21 I23 S44 T69 S71 L72 E73 Q77 S78 L79 A85 L102G21-F75 VanDerWaalsContact CA-CE2 3.49Å; G21-F75 VanDerWaalsContact CA-CZ 3.42Å; I23-F75 HydrophobicContact CD1-CD1 4.2Å; I23-F75 HydrophobicContact CD1-CE1 3.69Å; I23-F75 HydrophobicContact CD1-CZ 3.99Å; I23-F75 HydrophobicContact CG1-CD1 4.46Å; I23-F75 HydrophobicContact CG1-CE1 3.9Å; I23-F75 HydrophobicContact CG1-CE2 4.12Å; I23-F75 HydrophobicContact CG1-CZ 3.68Å; S44-F75 WeakPolarHBondContact O-CE2 3.43Å; T69-F75 WeakPolarHBondContact OG1-CB 3.4Å; S71-F75 WeakPolarHBondContact O-CB 3.4Å; S71-F75 PolarHBondContact O-N 3.02Å; L72-F75 WeakPolarHBondContact O-CB 3.17Å; L72-F75 PolarHBondContact O-N 3.34Å; E73-F75 VanDerWaalsContact C-N 3.34Å; F75-Q77 PolarHBondContact O-N 3.45Å; F75-S78 PolarHBondContact O-N 2.91Å; F75-S78 PolarHBondContact O-OG 3.06Å; F75-L79 HydrophobicContact CD1-CD1 4.45Å; F75-L79 HydrophobicContact CE1-CD1 3.97Å; F75-L79 HydrophobicContact CZ-CD1 4.29Å; F75-L79 WeakPolarHBondContact O-CG 3.22Å; F75-A85 HydrophobicContact CE1-CB 3.93Å; F75-A85 HydrophobicContact CZ-CB 4.37Å; F75-L102 HydrophobicContact CD1-CD2 4.5Å; F75-L102 HydrophobicContact CE1-CD2 4.47Å
76V98.2Very high97.9Very high4 Ų440.8 Ų40.82%0.02420%0.197CC..Hα-helixtrans-65.7-37.3-177.1173.50000112.4L72 E73 E74 S78 L79 R83 L102 L105 L106L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.08Å; E73-V76 PolarHBondContact O-N 2.78Å; E74-V76 PolarHBondContact O-N 2.87Å; V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 2.77Å; V76-L79 PolarHBondContact O-N 2.76Å; V76-R83 WeakPolarHBondContact O-CD 3.38Å; V76-R83 PolarHBondContact O-NE 3.36Å; V76-L102 HydrophobicContact CG2-CD2 3.83Å; V76-L105 HydrophobicContact CB-CB 4.25Å; V76-L105 HydrophobicContact CG1-CB 4.02Å; V76-L105 VanDerWaalsContact CG1-O 3.3Å; V76-L105 WeakPolarHBondContact CG1-O 3.32Å; V76-L105 HydrophobicContact CG2-CB 3.99Å; V76-L105 HydrophobicContact CG2-CD1 4.14Å; V76-L106 HydrophobicContact CG1-CD2 4.07Å; V76-L106 HydrophobicContact CG2-CD2 4.44Å
77Q97.5Very high98Very high131 Ų13140 Ų4061%0.61219%0.193SC*.Hα-helixtrans-67.1-27.8176.9-73.1174.91200113.1E73 E74 F75 L79E73-Q77 WeakPolarHBondContact O-CB 3.31Å; E73-Q77 VanDerWaalsContact O-CG 3.22Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.39Å; E74-Q77 PolarHBondContact O-N 2.9Å; F75-Q77 PolarHBondContact O-N 3.45Å; Q77-L79 VanDerWaalsContact C-N 3.3Å; Q77-L79 PolarHBondContact O-N 3.4Å
78S97.7Very high97.9Very high7 Ų738.6 Ų38.65%0.04919%0.186CC..Hα-helixtrans-73.9-17.2-179.975.30000114.3A16 R17 A18 S44 E74 F75 V76A16-S78 CarbonylContact C-O 3.55Å; A16-S78 WeakPolarHBondContact CA-O 3.41Å; R17-S78 PolarHBondContact N-O 3.25Å; A18-S78 PolarHBondContact N-O 3.36Å; S44-S78 WeakPolarHBondContact CB-OG 3.19Å; S44-S78 PolarHBondContact OG-OG 3.04Å; E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 3.08Å; F75-S78 PolarHBondContact O-N 2.91Å; F75-S78 PolarHBondContact O-OG 3.06Å; V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 2.77Å
79L98.5Very high97.8Very high2 Ų239.1 Ų39.11%0.0119%0.185CC..BIsolated β-bridgetrans-86.3134.4-172.9-54.8-178.1000113A16 A18 F75 V76 Q77 R83 A85A16-L79 WeakPolarHBondContact CB-O 3.44Å; A18-L79 HydrophobicContact CB-CD2 3.89Å; F75-L79 HydrophobicContact CD1-CD1 4.45Å; F75-L79 HydrophobicContact CE1-CD1 3.97Å; F75-L79 HydrophobicContact CZ-CD1 4.29Å; F75-L79 WeakPolarHBondContact O-CG 3.22Å; V76-L79 PolarHBondContact O-N 2.76Å; Q77-L79 VanDerWaalsContact C-N 3.3Å; Q77-L79 PolarHBondContact O-N 3.4Å; L79-R83 HydrophobicContact CB-CB 4.06Å; L79-R83 HydrophobicContact CB-CG 4.02Å; L79-R83 HydrophobicContact CD1-CB 4.13Å; L79-A85 HydrophobicContact CD1-CB 4.41Å
80K98.2Very high97.6Very high83 Ų8347.5 Ų47.536%0.36122%0.222SC..PPolyproline II helixtrans-63.6145.8169.4-68.1174.5-174.6162.70110.6R17 A18 D19 P82 R83R17-K80 WeakPolarHBondContact O-CE 3.18Å; A18-K80 WeakPolarHBondContact O-CB 3.49Å; A18-K80 WeakPolarHBondContact O-CG 3.41Å; A18-K80 PolarHBondContact O-N 3.19Å; D19-K80 IonicContact OD1-NZ 3.29Å; D19-K80 PolarHBondContact OD1-NZ 2.84Å; D19-K80 IonicContact OD2-NZ 3.41Å; K80-P82 CarbonylContact O-C 3.39Å; K80-P82 VanDerWaalsContact O-C 3.25Å; K80-R83 VanDerWaalsContact O-CA 3.27Å; K80-R83 WeakPolarHBondContact O-CA 3.15Å; K80-R83 PolarHBondContact O-N 3.07Å
81R97.5Very high97.4Very high164 Ų16445.3 Ų45.362%0.61922%0.217SC*.SBendtrans-81.7147.4175.6-64.9-177.8-173.1-156.2-5.8112.4R83 E107R81-R83 HydrophobicContact CG-CG 4.46Å; R81-E107 IonicContact CZ-OE1 3.93Å; R81-E107 VanDerWaalsContact CZ-OE1 3.29Å; R81-E107 IonicContact CZ-OE2 3.33Å; R81-E107 IonicContact NE-OE1 2.79Å; R81-E107 IonicContact NE-OE2 3.12Å; R81-E107 IonicContact NH1-OE1 3.18Å; R81-E107 IonicContact NH1-OE2 3.99Å; R81-E107 PolarHBondContact NH1-OE2 2.99Å; R81-E107 VanDerWaalsContact NH2-CD 3.27Å; R81-E107 IonicContact NH2-OE1 2.74Å; R81-E107 PolarHBondContact NH2-OE1 2.82Å; R81-E107 IonicContact NH2-OE2 2.67Å; R81-E107 PolarHBondContact NH2-OE2 3.05Å
82P98.1Very high97.3Very high34 Ų3444.5 Ų44.522%0.22122%0.215CC..SBendcis-60.7135.1-16.127-33.3000109.7K80 K84 G109 H166K80-P82 CarbonylContact O-C 3.39Å; K80-P82 VanDerWaalsContact O-C 3.25Å; P82-K84 PolarHBondContact O-NZ 2.97Å; P82-G109 VanDerWaalsContact CB-O 3.24Å; P82-G109 WeakPolarHBondContact CB-O 2.77Å; P82-H166 HydrophobicContact CG-CB 4.4Å
83R98.7Very high97.3Very high23 Ų2350 Ų509%0.08724%0.24CC..PPolyproline II helixtrans-65139.5-174.7-58.4-176.2-178.285.6-8.5109.2V76 L79 K80 R81 L106 E107 D110 I111V76-R83 WeakPolarHBondContact O-CD 3.38Å; V76-R83 PolarHBondContact O-NE 3.36Å; L79-R83 HydrophobicContact CB-CB 4.06Å; L79-R83 HydrophobicContact CB-CG 4.02Å; L79-R83 HydrophobicContact CD1-CB 4.13Å; K80-R83 VanDerWaalsContact O-CA 3.27Å; K80-R83 WeakPolarHBondContact O-CA 3.15Å; K80-R83 PolarHBondContact O-N 3.07Å; R81-R83 HydrophobicContact CG-CG 4.46Å; R83-L106 HydrophobicContact CB-CD2 4.21Å; R83-E107 IonicContact CZ-OE1 2.69Å; R83-E107 IonicContact NH1-OE1 3.87Å; R83-E107 PolarHBondContact NH1-OE1 2.85Å; R83-E107 IonicContact NH2-OE1 3.49Å; R83-E107 PolarHBondContact NH2-OE1 2.99Å; R83-D110 HydrophobicContact CB-CB 4.1Å; R83-D110 WeakPolarHBondContact CD-OD2 3.16Å; R83-D110 WeakPolarHBondContact CG-OD2 3.48Å; R83-D110 IonicContact CZ-OD2 3.09Å; R83-D110 PolarHBondContact N-OD1 2.95Å; R83-D110 IonicContact NH1-OD1 2.74Å; R83-D110 IonicContact NH1-OD2 3.95Å; R83-D110 PolarHBondContact NH1-OD2 3.46Å; R83-I111 PolarHBondContact O-N 3.36Å
84K98.8Very high97.3Very high19 Ų1946.7 Ų46.78%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-121.6102.7-179.9-71161.4-76.2-780108.2D19 I20 G21 P82 I111 I167 I170D19-K84 WeakPolarHBondContact O-CE 3.43Å; I20-K84 HydrophobicContact CB-CB 4.39Å; I20-K84 HydrophobicContact CD1-CB 4.48Å; I20-K84 HydrophobicContact CG1-CB 3.98Å; G21-K84 PolarHBondContact N-O 2.9Å; P82-K84 PolarHBondContact O-NZ 2.97Å; K84-I111 HydrophobicContact CG-CB 4.33Å; K84-I111 HydrophobicContact CG-CD1 3.94Å; K84-I167 HydrophobicContact CD-CG2 4.19Å; K84-I167 HydrophobicContact CG-CG2 4.25Å; K84-I170 HydrophobicContact CD-CD1 4.31Å
85A98.7Very high97.3Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-110107.9-178.600000110.1F75 L79 L102 I111 I112 I113F75-A85 HydrophobicContact CE1-CB 3.93Å; F75-A85 HydrophobicContact CZ-CB 4.37Å; L79-A85 HydrophobicContact CD1-CB 4.41Å; A85-L102 HydrophobicContact CB-CD1 4.36Å; A85-I111 PolarHBondContact N-O 2.76Å; A85-I112 WeakPolarHBondContact O-CA 3.45Å; A85-I113 PolarHBondContact O-N 3.41Å
86M98.8Very high97.3Very high1 Ų145 Ų451%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-92.7131.3177.2-170.6168.3-178.700111.6G21 M22 I23 L32 M36 L88 I113 T140 V142G21-M86 WeakPolarHBondContact O-CB 3.19Å; G21-M86 PolarHBondContact O-N 3.18Å; M22-M86 CarbonylContact C-O 3.59Å; M22-M86 WeakPolarHBondContact CA-O 3.46Å; M22-M86 HydrophobicContact CE-CB 4.19Å; M22-M86 HydrophobicContact CE-CE 4.36Å; M22-M86 HydrophobicContact CE-CG 3.92Å; M22-M86 HydrophobicContact CE-SD 3.56Å; M22-M86 VanDerWaalsContact CE-SD 3.56Å; M22-M86 HydrophobicContact SD-CB 4.1Å; M22-M86 HydrophobicContact SD-CG 3.95Å; M22-M86 HydrophobicContact SD-SD 4.37Å; I23-M86 PolarHBondContact N-O 2.92Å; L32-M86 HydrophobicContact CD1-CE 4.18Å; M36-M86 HydrophobicContact CE-SD 4.1Å; M86-L88 HydrophobicContact CE-CD1 4.1Å; M86-I113 CarbonylContact C-O 3.22Å; M86-I113 VanDerWaalsContact CA-O 3.29Å; M86-I113 WeakPolarHBondContact CA-O 3.5Å; M86-I113 HydrophobicContact CB-CB 4.11Å; M86-I113 HydrophobicContact CB-CD1 4.44Å; M86-I113 HydrophobicContact CB-CG2 4.44Å; M86-I113 HydrophobicContact CE-CG2 4.39Å; M86-I113 HydrophobicContact CG-CB 4.07Å; M86-I113 HydrophobicContact CG-CG2 3.88Å; M86-I113 HydrophobicContact SD-CG2 4.24Å; M86-T140 HydrophobicContact CE-CG2 4.02Å; M86-V142 HydrophobicContact CE-CG2 3.98Å
87L98.7Very high97.3Very high0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-102.9124.6175.9-53.3-177.8000108.6I23 V95 F98 I99 L102 I112 I113 G115I23-L87 HydrophobicContact CB-CD2 3.8Å; I23-L87 HydrophobicContact CD1-CD2 3.62Å; I23-L87 HydrophobicContact CG1-CD2 4.22Å; I23-L87 HydrophobicContact CG2-CD2 4.2Å; L87-V95 HydrophobicContact CD1-CG1 4.05Å; L87-F98 HydrophobicContact CD1-CB 4.17Å; L87-F98 HydrophobicContact CD2-CB 4.13Å; L87-F98 HydrophobicContact CD2-CG 4.49Å; L87-I99 HydrophobicContact CD1-CG1 4.07Å; L87-L102 HydrophobicContact CD2-CD1 3.89Å; L87-I112 HydrophobicContact CD1-CG2 4.03Å; L87-I112 HydrophobicContact CG-CG2 4.3Å; L87-I113 PolarHBondContact N-O 3.29Å; L87-G115 PolarHBondContact O-N 3Å
88L97.3Very high97.4Very high22 Ų2242.7 Ų42.712%0.11521%0.214CC..  trans-127.861.2171.6-147.684.2000110.2M22 I23 M28 G29 L32 M86 G115 V142M22-L88 HydrophobicContact SD-CB 3.74Å; I23-L88 PolarHBondContact O-N 2.77Å; M28-L88 VanDerWaalsContact C-CD2 3.5Å; M28-L88 HydrophobicContact CB-CD2 3.5Å; M28-L88 VanDerWaalsContact CB-CD2 3.5Å; G29-L88 VanDerWaalsContact CA-CD2 3.41Å; G29-L88 VanDerWaalsContact N-CD2 3.26Å; L32-L88 HydrophobicContact CD1-CD1 4.19Å; L32-L88 HydrophobicContact CD1-CD2 4.03Å; M86-L88 HydrophobicContact CE-CD1 4.1Å; L88-G115 VanDerWaalsContact CD1-C 3.47Å; L88-G115 WeakPolarHBondContact CD1-O 3.44Å; L88-V142 HydrophobicContact CD1-CG2 4.4Å
89V95.5Very high97.4Very high29 Ų2943.1 Ų43.118%0.17622%0.215CC..SBendtrans-112.5176.4-174.9-59.70000111.1I23 A91 V95 F98I23-V89 HydrophobicContact CG2-CG1 4.3Å; V89-A91 PolarHBondContact O-N 3.42Å; V89-V95 HydrophobicContact CG2-CG2 3.78Å; V89-F98 HydrophobicContact CG1-CD2 4.02Å; V89-F98 HydrophobicContact CG1-CE2 3.84Å; V89-F98 HydrophobicContact CG2-CD2 4.3Å
90K93.2Very high97.4Very high176 Ų17646.4 Ų46.477%0.76524%0.238SC*.  trans-60.1130.1174.4-175.9179.6176.1-177.60109.3A94K90-A94 HydrophobicContact CB-CB 4.48Å; K90-A94 WeakPolarHBondContact O-CB 3.24Å
91A93.3Very high97.4Very high37 Ų3748 Ų4831%0.30625%0.245SC..SBendtrans-59.1157.5176.100000112.7V89 N117V89-A91 PolarHBondContact O-N 3.42Å; A91-N117 WeakPolarHBondContact CB-O 3.21Å
92G94.5Very high97.5Very high22 Ų2240.2 Ų40.223%0.22722%0.216CC..SBendtrans86.6-141.9-175.600000112.3A94 V95G92-A94 PolarHBondContact O-N 3.39Å; G92-V95 WeakPolarHBondContact O-CB 3.13Å; G92-V95 PolarHBondContact O-N 3.46Å
93Q97Very high97.5Very high128 Ų12839.9 Ų39.960%0.59821%0.213SC*.Hα-helixtrans-50.3-34.4-170-170.260.349.100114.9V95 D96 D97Q93-V95 PolarHBondContact O-N 3.28Å; Q93-D96 PolarHBondContact O-N 3.49Å; Q93-D97 PolarHBondContact NE2-OD1 3.47Å; Q93-D97 WeakPolarHBondContact O-CB 3.06Å; Q93-D97 PolarHBondContact O-N 3.03Å
94A97.1Very high97.5Very high28 Ų2843.7 Ų43.723%0.23124%0.241CC..Hα-helixtrans-65.3-28.6-179.400000112.9K90 G92 F98K90-A94 HydrophobicContact CB-CB 4.48Å; K90-A94 WeakPolarHBondContact O-CB 3.24Å; G92-A94 PolarHBondContact O-N 3.39Å; A94-F98 VanDerWaalsContact O-CD2 3.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.3Å; A94-F98 PolarHBondContact O-N 3.26Å
95V98.3Very high97.4Very high0 Ų045.2 Ų45.20%025%0.25CC..Hα-helixtrans-68.4-48.2172.8178.30000109.8L87 V89 G92 Q93 D97 F98 I99L87-V95 HydrophobicContact CD1-CG1 4.05Å; V89-V95 HydrophobicContact CG2-CG2 3.78Å; G92-V95 WeakPolarHBondContact O-CB 3.13Å; G92-V95 PolarHBondContact O-N 3.46Å; Q93-V95 PolarHBondContact O-N 3.28Å; V95-D97 VanDerWaalsContact C-N 3.35Å; V95-D97 PolarHBondContact O-N 3.05Å; V95-F98 PolarHBondContact O-N 3.09Å; V95-F98 VanDerWaalsContact O-N 3.11Å; V95-I99 HydrophobicContact CG1-CD1 3.8Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 2.57Å
96D98.6Very high97.4Very high34 Ų3446 Ų4618%0.18225%0.254CS..Hα-helixtrans-63.5-38.8179.8-64.9-56.3000112.6Q93 F98 I99 S100 R125 R126Q93-D96 PolarHBondContact O-N 3.49Å; D96-F98 VanDerWaalsContact C-N 3.27Å; D96-F98 PolarHBondContact O-N 2.63Å; D96-I99 PolarHBondContact O-N 3.2Å; D96-S100 WeakPolarHBondContact O-CB 3.45Å; D96-S100 PolarHBondContact O-N 2.74Å; D96-S100 PolarHBondContact O-OG 3.05Å; D96-R125 IonicContact OD1-CZ 3.81Å; D96-R125 IonicContact OD1-NH2 2.82Å; D96-R125 PolarHBondContact OD1-NH2 2.7Å; D96-R125 IonicContact OD2-NH2 2.8Å; D96-R126 IonicContact OD1-CZ 3.29Å; D96-R126 IonicContact OD1-NE 3.71Å; D96-R126 PolarHBondContact OD1-NE 3.28Å; D96-R126 IonicContact OD1-NH2 3.64Å; D96-R126 IonicContact OD2-CZ 3.24Å; D96-R126 IonicContact OD2-NE 3.51Å; D96-R126 IonicContact OD2-NH2 2.68Å; D96-R126 PolarHBondContact OD2-NH2 2.89Å
97D98.3Very high97.4Very high67 Ų6749.6 Ų49.636%0.35827%0.27SS..Hα-helixtrans-61-34.6173.9-69.8-9.5000112.4Q93 V95 S100 K101Q93-D97 PolarHBondContact NE2-OD1 3.47Å; Q93-D97 WeakPolarHBondContact O-CB 3.06Å; Q93-D97 PolarHBondContact O-N 3.03Å; V95-D97 VanDerWaalsContact C-N 3.35Å; V95-D97 PolarHBondContact O-N 3.05Å; D97-S100 PolarHBondContact O-OG 3.05Å; D97-K101 WeakPolarHBondContact O-CD 3.3Å; D97-K101 WeakPolarHBondContact O-CG 3.49Å
98F98.2Very high97.4Very high21 Ų2158.1 Ų58.19%0.09231%0.308CS..Hα-helixtrans-77.5-41.6175.3-92.1-65000112.2I23 Y46 R48 L72 L87 V89 A94 V95 D96 S100 K101 L102I23-F98 HydrophobicContact CD1-CD1 4.42Å; I23-F98 HydrophobicContact CG2-CD1 3.87Å; I23-F98 HydrophobicContact CG2-CD2 4.26Å; I23-F98 HydrophobicContact CG2-CE1 3.51Å; I23-F98 HydrophobicContact CG2-CE2 3.93Å; I23-F98 HydrophobicContact CG2-CG 4.23Å; I23-F98 HydrophobicContact CG2-CZ 3.54Å; Y46-F98 HydrophobicContact CD1-CE1 4.35Å; Y46-F98 AromaticContact CE1-CE1 3.99Å; Y46-F98 HydrophobicContact CE1-CE1 3.99Å; Y46-F98 HydrophobicContact CE1-CZ 4.48Å; R48-F98 HydrophobicContact CB-CZ 4.14Å; L72-F98 HydrophobicContact CD1-CD1 4.5Å; L72-F98 HydrophobicContact CD1-CE1 4.47Å; L72-F98 HydrophobicContact CD2-CD1 4.46Å; L72-F98 HydrophobicContact CD2-CE1 4.33Å; L87-F98 HydrophobicContact CD1-CB 4.17Å; L87-F98 HydrophobicContact CD2-CB 4.13Å; L87-F98 HydrophobicContact CD2-CG 4.49Å; V89-F98 HydrophobicContact CG1-CD2 4.02Å; V89-F98 HydrophobicContact CG1-CE2 3.84Å; V89-F98 HydrophobicContact CG2-CD2 4.3Å; A94-F98 VanDerWaalsContact O-CD2 3.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.3Å; A94-F98 PolarHBondContact O-N 3.26Å; V95-F98 PolarHBondContact O-N 3.09Å; V95-F98 VanDerWaalsContact O-N 3.11Å; D96-F98 VanDerWaalsContact C-N 3.27Å; D96-F98 PolarHBondContact O-N 2.63Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.18Å; F98-K101 PolarHBondContact O-N 3.45Å; F98-L102 WeakPolarHBondContact O-CB 3.37Å; F98-L102 WeakPolarHBondContact O-CG 3.45Å; F98-L102 PolarHBondContact O-N 3.1Å
99I98.6Very high97.4Very high15 Ų1558.4 Ų58.48%0.07732%0.316CS..Hα-helixtrans-57.4-49.8176.5-69.9171.3000110L87 V95 D96 K101 L102 V103 I112 R126 L130 Y137L87-I99 HydrophobicContact CD1-CG1 4.07Å; V95-I99 HydrophobicContact CG1-CD1 3.8Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 2.57Å; D96-I99 PolarHBondContact O-N 3.2Å; I99-K101 PolarHBondContact O-N 2.69Å; I99-L102 PolarHBondContact O-N 3.27Å; I99-L102 VanDerWaalsContact O-N 3.1Å; I99-V103 HydrophobicContact CG2-CG2 4.01Å; I99-V103 VanDerWaalsContact O-CG2 3.31Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.81Å; I99-I112 HydrophobicContact CG1-CD1 4.47Å; I99-I112 HydrophobicContact CG1-CG2 4.4Å; I99-I112 HydrophobicContact CG2-CD1 4.39Å; I99-R126 HydrophobicContact CD1-CB 4.49Å; I99-R126 HydrophobicContact CD1-CG 3.98Å; I99-L130 HydrophobicContact CG2-CD1 4.15Å; I99-L130 HydrophobicContact CG2-CD2 3.94Å; I99-L130 HydrophobicContact CG2-CG 4.43Å; I99-Y137 HydrophobicContact CD1-CE2 3.8Å
100S98.3Very high97.6Very high71 Ų7157.2 Ų57.250%0.49731%0.308SS..Hα-helixtrans-58.3-30.8179.459.90000114D96 D97 F98 P104D96-S100 WeakPolarHBondContact O-CB 3.45Å; D96-S100 PolarHBondContact O-N 2.74Å; D96-S100 PolarHBondContact O-OG 3.05Å; D97-S100 PolarHBondContact O-OG 3.05Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.18Å; S100-P104 WeakPolarHBondContact O-CD 3.42Å
101K98.2Very high97.9Very high118 Ų11848.8 Ų48.851%0.51327%0.272SS..Hα-helixtrans-84.2-30.8176.5-68.1173.1-174.6173.70113.3L72 D97 F98 I99L72-K101 HydrophobicContact CD1-CB 3.71Å; L72-K101 HydrophobicContact CD1-CD 4.08Å; D97-K101 WeakPolarHBondContact O-CD 3.3Å; D97-K101 WeakPolarHBondContact O-CG 3.49Å; F98-K101 PolarHBondContact O-N 3.45Å; I99-K101 PolarHBondContact O-N 2.69Å
102L98.3Very high98.1Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-75.6-43.6178.8-79171.4000111.9I23 L72 F75 V76 A85 L87 F98 I99 L105 L106 I112I23-L102 HydrophobicContact CD1-CD1 3.87Å; I23-L102 HydrophobicContact CD1-CD2 4.06Å; I23-L102 HydrophobicContact CD1-CG 4.33Å; L72-L102 HydrophobicContact CD2-CD2 4.13Å; F75-L102 HydrophobicContact CD1-CD2 4.5Å; F75-L102 HydrophobicContact CE1-CD2 4.47Å; V76-L102 HydrophobicContact CG2-CD2 3.83Å; A85-L102 HydrophobicContact CB-CD1 4.36Å; L87-L102 HydrophobicContact CD2-CD1 3.89Å; F98-L102 WeakPolarHBondContact O-CB 3.37Å; F98-L102 WeakPolarHBondContact O-CG 3.45Å; F98-L102 PolarHBondContact O-N 3.1Å; I99-L102 PolarHBondContact O-N 3.27Å; I99-L102 VanDerWaalsContact O-N 3.1Å; L102-L105 WeakPolarHBondContact O-CA 3.21Å; L102-L105 WeakPolarHBondContact O-CB 3.43Å; L102-L105 PolarHBondContact O-N 2.73Å; L102-L106 HydrophobicContact CB-CD1 4.24Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 2.81Å; L102-I112 HydrophobicContact CB-CD1 4.26Å; L102-I112 HydrophobicContact CD1-CD1 4.41Å
103V98.6Very high98.3Very high26 Ų2646 Ų4616%0.15825%0.246CC..G310 helixtrans-50.7-45.8-173.4163.60000113.5I99 L105 L106 I112 L130I99-V103 HydrophobicContact CG2-CG2 4.01Å; I99-V103 VanDerWaalsContact O-CG2 3.31Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.81Å; V103-L105 PolarHBondContact O-N 3.16Å; V103-L105 VanDerWaalsContact O-N 3.14Å; V103-L106 PolarHBondContact O-N 2.85Å; V103-I112 HydrophobicContact CG2-CD1 4.44Å; V103-L130 HydrophobicContact CG2-CD2 3.47Å; V103-L130 VanDerWaalsContact CG2-CD2 3.47Å
104P98.4Very high98.4Very high103 Ų10339.9 Ų39.967%0.66922%0.218SC*.G310 helixtrans-64.4-16.8177.6-22.634.3000115S100S100-P104 WeakPolarHBondContact O-CD 3.42Å
105L98.4Very high98.5Very high52 Ų5238.8 Ų38.827%0.27221%0.209SC..G310 helixtrans-99.1-13.7-178.3-53.9178.8000112.4L72 E73 V76 L102 V103L72-L105 HydrophobicContact CB-CD1 3.99Å; E73-L105 HydrophobicContact CG-CD1 4.27Å; E73-L105 HydrophobicContact CG-CD2 4.12Å; V76-L105 HydrophobicContact CB-CB 4.25Å; V76-L105 HydrophobicContact CG1-CB 4.02Å; V76-L105 VanDerWaalsContact CG1-O 3.3Å; V76-L105 WeakPolarHBondContact CG1-O 3.32Å; V76-L105 HydrophobicContact CG2-CB 3.99Å; V76-L105 HydrophobicContact CG2-CD1 4.14Å; L102-L105 WeakPolarHBondContact O-CA 3.21Å; L102-L105 WeakPolarHBondContact O-CB 3.43Å; L102-L105 PolarHBondContact O-N 2.73Å; V103-L105 PolarHBondContact O-N 3.16Å; V103-L105 VanDerWaalsContact O-N 3.14Å
106L98.4Very high98.3Very high17 Ų1739 Ų399%0.08921%0.212CC..  trans-94.5160.9-177.7-64.8179.2000112V76 R83 L102 V103 D110 I112 I135V76-L106 HydrophobicContact CG1-CD2 4.07Å; V76-L106 HydrophobicContact CG2-CD2 4.44Å; R83-L106 HydrophobicContact CB-CD2 4.21Å; L102-L106 HydrophobicContact CB-CD1 4.24Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 2.81Å; V103-L106 PolarHBondContact O-N 2.85Å; L106-D110 HydrophobicContact CB-CB 4.1Å; L106-D110 HydrophobicContact CD1-CB 4.46Å; L106-D110 HydrophobicContact CD2-CB 4.06Å; L106-D110 HydrophobicContact CG-CB 4.43Å; L106-I112 HydrophobicContact CD1-CD1 3.76Å; L106-I112 HydrophobicContact CD1-CG1 3.62Å; L106-I135 HydrophobicContact CB-CD1 3.81Å; L106-I135 HydrophobicContact CD1-CG2 4.38Å
107E98Very high98.1Very high76 Ų7640.3 Ų40.336%0.35522%0.218SC..  trans-115.3162.9175.1-72.6162-118.900111R81 R83 G109 D110 I135R81-E107 IonicContact CZ-OE1 3.93Å; R81-E107 VanDerWaalsContact CZ-OE1 3.29Å; R81-E107 IonicContact CZ-OE2 3.33Å; R81-E107 IonicContact NE-OE1 2.79Å; R81-E107 IonicContact NE-OE2 3.12Å; R81-E107 IonicContact NH1-OE1 3.18Å; R81-E107 IonicContact NH1-OE2 3.99Å; R81-E107 PolarHBondContact NH1-OE2 2.99Å; R81-E107 VanDerWaalsContact NH2-CD 3.27Å; R81-E107 IonicContact NH2-OE1 2.74Å; R81-E107 PolarHBondContact NH2-OE1 2.82Å; R81-E107 IonicContact NH2-OE2 2.67Å; R81-E107 PolarHBondContact NH2-OE2 3.05Å; R83-E107 IonicContact CZ-OE1 2.69Å; R83-E107 IonicContact NH1-OE1 3.87Å; R83-E107 PolarHBondContact NH1-OE1 2.85Å; R83-E107 IonicContact NH2-OE1 3.49Å; R83-E107 PolarHBondContact NH2-OE1 2.99Å; E107-G109 PolarHBondContact O-N 3.33Å; E107-D110 PolarHBondContact N-OD2 2.95Å; E107-D110 WeakPolarHBondContact O-CB 3.43Å; E107-D110 PolarHBondContact O-N 2.89Å; E107-I135 WeakPolarHBondContact O-CD1 3.18Å
108K98.5Very high98.1Very high179 Ų17937.3 Ų37.378%0.77820%0.203SC*.THydrogen-bonded Turntrans-55.2133.6176.7-68-174.6176.4-178.30111.1D110 G134K108-D110 VanDerWaalsContact C-N 3.34Å; K108-G134 CarbonylContact C-O 3.55Å; K108-G134 WeakPolarHBondContact CA-O 3.48Å
109G98.4Very high98Very high28 Ų2838.1 Ų38.129%0.28921%0.207SC..THydrogen-bonded Turntrans89.3-9.5-175.500000114.4P82 E107 G134P82-G109 VanDerWaalsContact CB-O 3.24Å; P82-G109 WeakPolarHBondContact CB-O 2.77Å; E107-G109 PolarHBondContact O-N 3.33Å; G109-G134 PolarHBondContact N-O 2.76Å
110D98.8Very high97.9Very high3 Ų338.2 Ų38.22%0.01621%0.206CC..  trans-68.5156171.3-70.4-19.3000111.1R83 L106 E107 K108 I135 L136R83-D110 HydrophobicContact CB-CB 4.1Å; R83-D110 WeakPolarHBondContact CD-OD2 3.16Å; R83-D110 WeakPolarHBondContact CG-OD2 3.48Å; R83-D110 IonicContact CZ-OD2 3.09Å; R83-D110 PolarHBondContact N-OD1 2.95Å; R83-D110 IonicContact NH1-OD1 2.74Å; R83-D110 IonicContact NH1-OD2 3.95Å; R83-D110 PolarHBondContact NH1-OD2 3.46Å; L106-D110 HydrophobicContact CB-CB 4.1Å; L106-D110 HydrophobicContact CD1-CB 4.46Å; L106-D110 HydrophobicContact CD2-CB 4.06Å; L106-D110 HydrophobicContact CG-CB 4.43Å; E107-D110 PolarHBondContact N-OD2 2.95Å; E107-D110 WeakPolarHBondContact O-CB 3.43Å; E107-D110 PolarHBondContact O-N 2.89Å; K108-D110 VanDerWaalsContact C-N 3.34Å; D110-I135 HydrophobicContact CB-CD1 4.42Å; D110-L136 PolarHBondContact O-N 2.81Å
111I98.9Very high97.8Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-121.7123.6-167.2-52.5166.6000109.8R83 K84 A85 I113 L136 V138 A163 H166 I167R83-I111 PolarHBondContact O-N 3.36Å; K84-I111 HydrophobicContact CG-CB 4.33Å; K84-I111 HydrophobicContact CG-CD1 3.94Å; A85-I111 PolarHBondContact N-O 2.76Å; I111-I113 HydrophobicContact CG2-CG1 3.9Å; I111-L136 VanDerWaalsContact CA-O 3.31Å; I111-L136 WeakPolarHBondContact CA-O 3.38Å; I111-L136 HydrophobicContact CG1-CB 4.05Å; I111-L136 HydrophobicContact CG1-CD1 4.03Å; I111-L136 HydrophobicContact CG1-CG 4.49Å; I111-V138 HydrophobicContact CG2-CG2 4.48Å; I111-A163 HydrophobicContact CD1-CB 4.13Å; I111-A163 HydrophobicContact CG1-CB 4.21Å; I111-A163 HydrophobicContact CG2-CB 3.89Å; I111-H166 HydrophobicContact CD1-CB 3.44Å; I111-H166 VanDerWaalsContact CD1-CB 3.44Å; I111-I167 HydrophobicContact CD1-CG2 4.21Å; I111-I167 HydrophobicContact CG2-CG2 4.4Å
112I98.9Very high97.8Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-101131.1164.3-61.1176.2000108.3A85 L87 I99 L102 V103 L106 L130 I135 L136 Y137 V138A85-I112 WeakPolarHBondContact O-CA 3.45Å; L87-I112 HydrophobicContact CD1-CG2 4.03Å; L87-I112 HydrophobicContact CG-CG2 4.3Å; I99-I112 HydrophobicContact CG1-CD1 4.47Å; I99-I112 HydrophobicContact CG1-CG2 4.4Å; I99-I112 HydrophobicContact CG2-CD1 4.39Å; L102-I112 HydrophobicContact CB-CD1 4.26Å; L102-I112 HydrophobicContact CD1-CD1 4.41Å; V103-I112 HydrophobicContact CG2-CD1 4.44Å; L106-I112 HydrophobicContact CD1-CD1 3.76Å; L106-I112 HydrophobicContact CD1-CG1 3.62Å; I112-L130 HydrophobicContact CD1-CD1 4.25Å; I112-L130 HydrophobicContact CD1-CD2 4.49Å; I112-I135 HydrophobicContact CD1-CG2 4.14Å; I112-I135 HydrophobicContact CG1-CG2 4.12Å; I112-L136 PolarHBondContact N-O 2.86Å; I112-Y137 HydrophobicContact CB-CD2 3.94Å; I112-Y137 HydrophobicContact CB-CE2 4.33Å; I112-Y137 HydrophobicContact CG2-CD2 3.91Å; I112-Y137 HydrophobicContact CG2-CE2 3.77Å; I112-Y137 WeakPolarHBondContact O-CA 3.47Å; I112-V138 PolarHBondContact O-N 2.88Å
113I98.9Very high97.8Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-116.8123.1177.9-55.2161.8000107.1I20 A85 M86 L87 I111 V138 T140 I167 F171I20-I113 HydrophobicContact CD1-CD1 4.14Å; A85-I113 PolarHBondContact O-N 3.41Å; M86-I113 CarbonylContact C-O 3.22Å; M86-I113 VanDerWaalsContact CA-O 3.29Å; M86-I113 WeakPolarHBondContact CA-O 3.5Å; M86-I113 HydrophobicContact CB-CB 4.11Å; M86-I113 HydrophobicContact CB-CD1 4.44Å; M86-I113 HydrophobicContact CB-CG2 4.44Å; M86-I113 HydrophobicContact CE-CG2 4.39Å; M86-I113 HydrophobicContact CG-CB 4.07Å; M86-I113 HydrophobicContact CG-CG2 3.88Å; M86-I113 HydrophobicContact SD-CG2 4.24Å; L87-I113 PolarHBondContact N-O 3.29Å; I111-I113 HydrophobicContact CG2-CG1 3.9Å; I113-V138 CarbonylContact C-O 3.18Å; I113-V138 VanDerWaalsContact CA-O 3.29Å; I113-V138 WeakPolarHBondContact CA-O 2.9Å; I113-V138 HydrophobicContact CG1-CB 4.43Å; I113-T140 HydrophobicContact CG2-CG2 3.61Å; I113-I167 HydrophobicContact CD1-CG2 3.83Å; I113-F171 HydrophobicContact CD1-CE1 4.12Å; I113-F171 HydrophobicContact CD1-CZ 4.08Å; I113-F171 HydrophobicContact CG2-CZ 3.84Å
114D98.8Very high97.7Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-99.4111.1168.6177.314.1000108.9G116 S118 R126 Y137 V138 T140 H195D114-G116 PolarHBondContact OD1-N 3.22Å; D114-S118 WeakPolarHBondContact OD2-CB 3.26Å; D114-S118 PolarHBondContact OD2-OG 3.38Å; D114-R126 IonicContact OD2-NH1 2.96Å; D114-R126 PolarHBondContact OD2-NH1 3.35Å; D114-Y137 HydrophobicContact CB-CE2 4.34Å; D114-Y137 WeakPolarHBondContact CB-OH 3.33Å; D114-Y137 PolarHBondContact OD2-OH 3.11Å; D114-V138 PolarHBondContact N-O 3.42Å; D114-T140 PolarHBondContact O-N 2.95Å; D114-H195 PolarHBondContact O-CE1 3.38Å; D114-H195 PolarHBondContact O-NE2 2.84Å; D114-H195 VanDerWaalsContact O-NE2 3.11Å; D114-H195 IonicContact OD2-CE1 2.7Å; D114-H195 PolarHBondContact OD2-CE1 3.3Å
115G97.9Very high97.7Very high4 Ų436.1 Ų36.14%0.04118%0.181CC..  trans-97.35.9175.800000113.8L87 L88 T140L87-G115 PolarHBondContact O-N 3Å; L88-G115 VanDerWaalsContact CD1-C 3.47Å; L88-G115 WeakPolarHBondContact CD1-O 3.44Å; G115-T140 WeakPolarHBondContact CA-O 3.29Å
116G95.3Very high97.7Very high6 Ų633.7 Ų33.76%0.06217%0.168CC..SBendtrans-68173.5177.600000112.6D114 S118 H195D114-G116 PolarHBondContact OD1-N 3.22Å; G116-S118 PolarHBondContact O-N 2.84Å; G116-H195 PolarHBondContact O-NE2 3.24Å
117N94.8Very high97.7Very high60 Ų6033.6 Ų33.632%0.32117%0.168SC..  trans-84.259.3165.8-67.2-41.9000109.4A91 K198 T277 W280A91-N117 WeakPolarHBondContact CB-O 3.21Å; N117-K198 PolarHBondContact OD1-NZ 2.83Å; N117-T277 HydrophobicContact CB-CG2 3.9Å; N117-W280 WeakPolarHBondContact O-CZ3 3.3Å
118S97.2Very high97.7Very high5 Ų532.8 Ų32.84%0.03517%0.171CC..  trans-74.2154.4179.7-75.90000111.4D114 G116 R126D114-S118 WeakPolarHBondContact OD2-CB 3.26Å; D114-S118 PolarHBondContact OD2-OG 3.38Å; G116-S118 PolarHBondContact O-N 2.84Å; S118-R126 PolarHBondContact OG-NH1 3.07Å
119E96.6Very high97.7Very high37 Ų3728.2 Ų28.217%0.17315%0.153CC..  trans-70.4144174.3-156.6-65131.800108.9M121 D122 T123 W280E119-M121 VanDerWaalsContact OE2-CA 3.24Å; E119-M121 WeakPolarHBondContact OE2-CA 3.17Å; E119-M121 WeakPolarHBondContact OE2-CB 3.42Å; E119-M121 PolarHBondContact OE2-N 2.95Å; E119-D122 HydrophobicContact CB-CB 4.23Å; E119-D122 WeakPolarHBondContact O-CB 3.46Å; E119-D122 PolarHBondContact O-N 3.39Å; E119-D122 PolarHBondContact OE2-N 3.03Å; E119-T123 PolarHBondContact O-N 3.11Å; E119-T123 VanDerWaalsContact O-N 3.16Å; E119-T123 PolarHBondContact O-OG1 3.15Å; E119-W280 HydrophobicContact CB-CH2 4.05Å; E119-W280 HydrophobicContact CB-CZ2 4.28Å; E119-W280 HydrophobicContact CB-CZ3 4.2Å; E119-W280 HydrophobicContact CG-CD2 4.27Å; E119-W280 HydrophobicContact CG-CE3 4.41Å; E119-W280 HydrophobicContact CG-CH2 4.44Å; E119-W280 HydrophobicContact CG-CZ2 4.29Å; E119-W280 HydrophobicContact CG-CZ3 4.49Å
120Y96.9Very high97.7Very high17 Ų1727 Ų277%0.06714%0.14CC..Hα-helixtrans-75.7-29.7-169.571.3-88.6000112.9T123 D124 Y196 M199 F367 W369Y120-T123 VanDerWaalsContact O-CB 3.3Å; Y120-T123 WeakPolarHBondContact O-CB 3.14Å; Y120-T123 PolarHBondContact O-N 2.73Å; Y120-D124 PolarHBondContact O-N 3.29Å; Y120-Y196 AromaticContact CD1-CD2 3.9Å; Y120-Y196 HydrophobicContact CD1-CD2 3.9Å; Y120-Y196 AromaticContact CD2-CD2 3.95Å; Y120-Y196 HydrophobicContact CD2-CD2 3.95Å; Y120-Y196 HydrophobicContact CE1-CD2 4.11Å; Y120-Y196 HydrophobicContact CE1-CE2 4.44Å; Y120-Y196 HydrophobicContact CE2-CD2 4.14Å; Y120-Y196 AromaticContact CG-CD2 3.84Å; Y120-Y196 HydrophobicContact CG-CD2 3.84Å; Y120-M199 HydrophobicContact CD1-CE 4.21Å; Y120-M199 HydrophobicContact CD1-SD 3.92Å; Y120-M199 HydrophobicContact CE1-CE 4.17Å; Y120-M199 HydrophobicContact CE1-SD 4.08Å; Y120-F367 HydrophobicContact CD2-CZ 4.46Å; Y120-F367 AromaticContact CE2-CE1 3.91Å; Y120-F367 HydrophobicContact CE2-CE1 3.91Å; Y120-F367 AromaticContact CE2-CE2 3.99Å; Y120-F367 HydrophobicContact CE2-CE2 3.99Å; Y120-F367 AromaticContact CE2-CZ 3.44Å; Y120-F367 HydrophobicContact CE2-CZ 3.44Å; Y120-F367 VanDerWaalsContact CE2-CZ 3.44Å; Y120-F367 AromaticContact CZ-CZ 3.89Å; Y120-W369 HydrophobicContact CD2-CH2 4.09Å; Y120-W369 HydrophobicContact CD2-CZ3 4.45Å
121M96.2Very high97.7Very high89 Ų8929.2 Ų29.244%0.43816%0.158SC..Hα-helixtrans-72.4-36171.7-59-65.1-71.400111.8E119 T123 D124 R125 F367E119-M121 VanDerWaalsContact OE2-CA 3.24Å; E119-M121 WeakPolarHBondContact OE2-CA 3.17Å; E119-M121 WeakPolarHBondContact OE2-CB 3.42Å; E119-M121 PolarHBondContact OE2-N 2.95Å; M121-T123 PolarHBondContact O-N 2.92Å; M121-D124 PolarHBondContact O-N 2.92Å; M121-R125 WeakPolarHBondContact O-CB 3.39Å; M121-R125 PolarHBondContact O-N 2.91Å; M121-F367 HydrophobicContact SD-CE1 4.4Å
122D97.9Very high97.7Very high47 Ų4737.7 Ų37.725%0.25120%0.195SC..Hα-helixtrans-56.7-39.6168.1-91.3-11.1000110.9E119 R126E119-D122 HydrophobicContact CB-CB 4.23Å; E119-D122 WeakPolarHBondContact O-CB 3.46Å; E119-D122 PolarHBondContact O-N 3.39Å; E119-D122 PolarHBondContact OE2-N 3.03Å; D122-R126 WeakPolarHBondContact O-CB 3.43Å; D122-R126 WeakPolarHBondContact O-CD 3.43Å; D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-N 3.23Å; D122-R126 IonicContact OD2-NH2 3.05Å; D122-R126 PolarHBondContact OD2-NH2 3.15Å
123T98.4Very high97.6Very high0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-70.8-42.8-179.8-530000111.5E119 Y120 M121 R126 C127 Y137 H195E119-T123 PolarHBondContact O-N 3.11Å; E119-T123 VanDerWaalsContact O-N 3.16Å; E119-T123 PolarHBondContact O-OG1 3.15Å; Y120-T123 VanDerWaalsContact O-CB 3.3Å; Y120-T123 WeakPolarHBondContact O-CB 3.14Å; Y120-T123 PolarHBondContact O-N 2.73Å; M121-T123 PolarHBondContact O-N 2.92Å; T123-R126 PolarHBondContact O-N 3.44Å; T123-C127 WeakPolarHBondContact O-CB 3.37Å; T123-C127 PolarHBondContact O-N 3.1Å; T123-Y137 HydrophobicContact CG2-CD1 4.44Å; T123-Y137 HydrophobicContact CG2-CE1 3.86Å; T123-H195 PolarHBondContact OG1-ND1 3.01Å
124D97Very high97.6Very high54 Ų5443.6 Ų43.629%0.28923%0.229SC..Hα-helixtrans-59.9-47174.7-176.541.7000111.6Y120 M121 C127 S128 A191Y120-D124 PolarHBondContact O-N 3.29Å; M121-D124 PolarHBondContact O-N 2.92Å; D124-C127 PolarHBondContact O-N 3.12Å; D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 3.15Å; D124-S128 PolarHBondContact O-OG 3.07Å; D124-A191 HydrophobicContact CB-CB 4.43Å; D124-A191 WeakPolarHBondContact OD1-CB 3.4Å
125R98.4Very high97.6Very high84 Ų8443.9 Ų43.932%0.31723%0.231SC..Hα-helixtrans-57.2-53.4173.9-176.6-167.762.677.22.5111.6D96 M121 C127 S128 E129D96-R125 IonicContact OD1-CZ 3.81Å; D96-R125 IonicContact OD1-NH2 2.82Å; D96-R125 PolarHBondContact OD1-NH2 2.7Å; D96-R125 IonicContact OD2-NH2 2.8Å; M121-R125 WeakPolarHBondContact O-CB 3.39Å; M121-R125 PolarHBondContact O-N 2.91Å; R125-C127 VanDerWaalsContact C-N 3.31Å; R125-C127 PolarHBondContact O-N 3.11Å; R125-S128 PolarHBondContact O-N 3.28Å; R125-E129 WeakPolarHBondContact CD-OE1 3.42Å; R125-E129 HydrophobicContact CG-CG 4.46Å; R125-E129 WeakPolarHBondContact CG-OE1 3.31Å; R125-E129 IonicContact CZ-OE1 2.8Å; R125-E129 IonicContact CZ-OE2 3.65Å; R125-E129 IonicContact NH1-OE1 2.64Å; R125-E129 PolarHBondContact NH1-OE1 3.11Å; R125-E129 IonicContact NH1-OE2 2.67Å; R125-E129 PolarHBondContact NH1-OE2 3.35Å; R125-E129 WeakPolarHBondContact O-CG 3.43Å; R125-E129 PolarHBondContact O-N 2.99Å
126R98.7Very high97.6Very high2 Ų244.1 Ų44.11%0.00823%0.231CC..Hα-helixtrans-59.6-41.5179.7-72.6167.5-174.4142.715.3111.6D96 I99 D114 S118 D122 T123 E129 L130 Y137D96-R126 IonicContact OD1-CZ 3.29Å; D96-R126 IonicContact OD1-NE 3.71Å; D96-R126 PolarHBondContact OD1-NE 3.28Å; D96-R126 IonicContact OD1-NH2 3.64Å; D96-R126 IonicContact OD2-CZ 3.24Å; D96-R126 IonicContact OD2-NE 3.51Å; D96-R126 IonicContact OD2-NH2 2.68Å; D96-R126 PolarHBondContact OD2-NH2 2.89Å; I99-R126 HydrophobicContact CD1-CB 4.49Å; I99-R126 HydrophobicContact CD1-CG 3.98Å; D114-R126 IonicContact OD2-NH1 2.96Å; D114-R126 PolarHBondContact OD2-NH1 3.35Å; S118-R126 PolarHBondContact OG-NH1 3.07Å; D122-R126 WeakPolarHBondContact O-CB 3.43Å; D122-R126 WeakPolarHBondContact O-CD 3.43Å; D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-N 3.23Å; D122-R126 IonicContact OD2-NH2 3.05Å; D122-R126 PolarHBondContact OD2-NH2 3.15Å; T123-R126 PolarHBondContact O-N 3.44Å; R126-E129 PolarHBondContact O-N 3.12Å; R126-L130 WeakPolarHBondContact O-CB 3.35Å; R126-L130 WeakPolarHBondContact O-CG 3.48Å; R126-L130 PolarHBondContact O-N 3.08Å; R126-Y137 HydrophobicContact CB-CD1 4.06Å; R126-Y137 HydrophobicContact CB-CE1 3.66Å; R126-Y137 HydrophobicContact CB-CE2 4.24Å; R126-Y137 WeakPolarHBondContact CD-OH 3.34Å
127C98.1Very high97.8Very high14 Ų1443.9 Ų43.910%0.09523%0.228CC..Hα-helixtrans-60.9-46.8177.3-168.50000111.4T123 D124 R125 A131 Y137T123-C127 WeakPolarHBondContact O-CB 3.37Å; T123-C127 PolarHBondContact O-N 3.1Å; D124-C127 PolarHBondContact O-N 3.12Å; R125-C127 VanDerWaalsContact C-N 3.31Å; R125-C127 PolarHBondContact O-N 3.11Å; C127-A131 VanDerWaalsContact O-CB 3.29Å; C127-A131 WeakPolarHBondContact O-CB 3.33Å; C127-A131 PolarHBondContact O-N 3.06Å; C127-A131 VanDerWaalsContact O-N 3.09Å; C127-Y137 HydrophobicContact CB-CD1 4.07Å
128S97.9Very high98Very high60 Ų6041 Ų4142%0.4221%0.213SC..Hα-helixtrans-66.6-39.9178.8-700000113.4D124 R125 K132D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 3.15Å; D124-S128 PolarHBondContact O-OG 3.07Å; R125-S128 PolarHBondContact O-N 3.28Å; S128-K132 WeakPolarHBondContact O-CG 3.45Å
129E98.3Very high98.1Very high83 Ų8340.8 Ų40.839%0.38821%0.211SC..Hα-helixtrans-70.1-41.8179-74.3174-168.700113.1R125 R126 K132R125-E129 WeakPolarHBondContact CD-OE1 3.42Å; R125-E129 HydrophobicContact CG-CG 4.46Å; R125-E129 WeakPolarHBondContact CG-OE1 3.31Å; R125-E129 IonicContact CZ-OE1 2.8Å; R125-E129 IonicContact CZ-OE2 3.65Å; R125-E129 IonicContact NH1-OE1 2.64Å; R125-E129 PolarHBondContact NH1-OE1 3.11Å; R125-E129 IonicContact NH1-OE2 2.67Å; R125-E129 PolarHBondContact NH1-OE2 3.35Å; R125-E129 WeakPolarHBondContact O-CG 3.43Å; R125-E129 PolarHBondContact O-N 2.99Å; R126-E129 PolarHBondContact O-N 3.12Å; E129-K132 PolarHBondContact O-N 3.17Å
130L98.7Very high98.2Very high3 Ų339 Ų392%0.01620%0.203CC..Hα-helixtrans-73.7-33.7-179.3-72.5171.5000112.2I99 V103 I112 R126 K132 Q133 G134 I135 Y137I99-L130 HydrophobicContact CG2-CD1 4.15Å; I99-L130 HydrophobicContact CG2-CD2 3.94Å; I99-L130 HydrophobicContact CG2-CG 4.43Å; V103-L130 HydrophobicContact CG2-CD2 3.47Å; V103-L130 VanDerWaalsContact CG2-CD2 3.47Å; I112-L130 HydrophobicContact CD1-CD1 4.25Å; I112-L130 HydrophobicContact CD1-CD2 4.49Å; R126-L130 WeakPolarHBondContact O-CB 3.35Å; R126-L130 WeakPolarHBondContact O-CG 3.48Å; R126-L130 PolarHBondContact O-N 3.08Å; L130-K132 PolarHBondContact O-N 2.79Å; L130-Q133 CarbonylContact O-C 3.59Å; L130-Q133 WeakPolarHBondContact O-CA 3.4Å; L130-Q133 PolarHBondContact O-N 2.85Å; L130-G134 PolarHBondContact O-N 2.94Å; L130-I135 CarbonylContact C-O 3.48Å; L130-I135 HydrophobicContact CB-CB 4.13Å; L130-I135 HydrophobicContact CB-CG2 4.39Å; L130-I135 HydrophobicContact CD2-CB 4.15Å; L130-I135 HydrophobicContact CD2-CG2 4.18Å; L130-I135 PolarHBondContact O-N 2.98Å; L130-I135 VanDerWaalsContact O-O 3.12Å; L130-Y137 HydrophobicContact CD1-CD2 3.24Å; L130-Y137 HydrophobicContact CD1-CE2 3.95Å; L130-Y137 HydrophobicContact CD1-CG 3.76Å
131A98.1Very high98.2Very high48 Ų4838.2 Ų38.240%0.39720%0.2SC..Hα-helixtrans-57.2-38.3173.800000112.2C127 Q133 G134 I135C127-A131 VanDerWaalsContact O-CB 3.29Å; C127-A131 WeakPolarHBondContact O-CB 3.33Å; C127-A131 PolarHBondContact O-N 3.06Å; C127-A131 VanDerWaalsContact O-N 3.09Å; A131-Q133 PolarHBondContact O-N 2.72Å; A131-G134 PolarHBondContact O-N 2.83Å; A131-I135 PolarHBondContact N-O 2.94Å
132K98Very high98.2Very high178 Ų17834.3 Ų34.377%0.77418%0.181SC*.THydrogen-bonded Turntrans-62.5-25175.9-66169.9-173.3173.70113.2S128 E129 L130S128-K132 WeakPolarHBondContact O-CG 3.45Å; E129-K132 PolarHBondContact O-N 3.17Å; L130-K132 PolarHBondContact O-N 2.79Å
133Q97.9Very high98.2Very high99 Ų9932.3 Ų32.346%0.46317%0.17SC..THydrogen-bonded Turntrans-94.4-0.7178.2-60.5-178.97400112.2L130 A131 I135L130-Q133 CarbonylContact O-C 3.59Å; L130-Q133 WeakPolarHBondContact O-CA 3.4Å; L130-Q133 PolarHBondContact O-N 2.85Å; A131-Q133 PolarHBondContact O-N 2.72Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 HydrophobicContact CB-CG1 4.39Å
134G98.2Very high97.9Very high25 Ų2532.5 Ų32.526%0.25817%0.172SC..THydrogen-bonded Turntrans7318.5-175.100000113.6K108 G109 L130 A131K108-G134 CarbonylContact C-O 3.55Å; K108-G134 WeakPolarHBondContact CA-O 3.48Å; G109-G134 PolarHBondContact N-O 2.76Å; L130-G134 PolarHBondContact O-N 2.94Å; A131-G134 PolarHBondContact O-N 2.83Å
135I98.8Very high97.5Very high6 Ų631.3 Ų31.33%0.03117%0.173CC..  trans-96.7130.7173.9-57.6-59000108.2L106 E107 D110 I112 L130 A131 Q133L106-I135 HydrophobicContact CB-CD1 3.81Å; L106-I135 HydrophobicContact CD1-CG2 4.38Å; E107-I135 WeakPolarHBondContact O-CD1 3.18Å; D110-I135 HydrophobicContact CB-CD1 4.42Å; I112-I135 HydrophobicContact CD1-CG2 4.14Å; I112-I135 HydrophobicContact CG1-CG2 4.12Å; L130-I135 CarbonylContact C-O 3.48Å; L130-I135 HydrophobicContact CB-CB 4.13Å; L130-I135 HydrophobicContact CB-CG2 4.39Å; L130-I135 HydrophobicContact CD2-CB 4.15Å; L130-I135 HydrophobicContact CD2-CG2 4.18Å; L130-I135 PolarHBondContact O-N 2.98Å; L130-I135 VanDerWaalsContact O-O 3.12Å; A131-I135 PolarHBondContact N-O 2.94Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 HydrophobicContact CB-CG1 4.39Å
136L98.8Very high97.2Very high10 Ų1033 Ų335%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-84.6134.9178.4-49.3179.2000108.9D110 I111 I112 N160 E162 A163D110-L136 PolarHBondContact O-N 2.81Å; I111-L136 VanDerWaalsContact CA-O 3.31Å; I111-L136 WeakPolarHBondContact CA-O 3.38Å; I111-L136 HydrophobicContact CG1-CB 4.05Å; I111-L136 HydrophobicContact CG1-CD1 4.03Å; I111-L136 HydrophobicContact CG1-CG 4.49Å; I112-L136 PolarHBondContact N-O 2.86Å; L136-N160 HydrophobicContact CB-CB 4.42Å; L136-N160 WeakPolarHBondContact CD2-ND2 3.19Å; L136-E162 HydrophobicContact CD1-CB 4Å; L136-E162 HydrophobicContact CD2-CB 4.05Å; L136-A163 HydrophobicContact CB-CB 4.01Å; L136-A163 HydrophobicContact CD1-CB 4.25Å
137Y98.9Very high96.8Very high1 Ų138.8 Ų38.80%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-122.5136.8-179-169.6-103.8000111.1I99 I112 D114 T123 R126 C127 L130 N160I99-Y137 HydrophobicContact CD1-CE2 3.8Å; I112-Y137 HydrophobicContact CB-CD2 3.94Å; I112-Y137 HydrophobicContact CB-CE2 4.33Å; I112-Y137 HydrophobicContact CG2-CD2 3.91Å; I112-Y137 HydrophobicContact CG2-CE2 3.77Å; I112-Y137 WeakPolarHBondContact O-CA 3.47Å; D114-Y137 HydrophobicContact CB-CE2 4.34Å; D114-Y137 WeakPolarHBondContact CB-OH 3.33Å; D114-Y137 PolarHBondContact OD2-OH 3.11Å; T123-Y137 HydrophobicContact CG2-CD1 4.44Å; T123-Y137 HydrophobicContact CG2-CE1 3.86Å; R126-Y137 HydrophobicContact CB-CD1 4.06Å; R126-Y137 HydrophobicContact CB-CE1 3.66Å; R126-Y137 HydrophobicContact CB-CE2 4.24Å; R126-Y137 WeakPolarHBondContact CD-OH 3.34Å; C127-Y137 HydrophobicContact CB-CD1 4.07Å; L130-Y137 HydrophobicContact CD1-CD2 3.24Å; L130-Y137 HydrophobicContact CD1-CE2 3.95Å; L130-Y137 HydrophobicContact CD1-CG 3.76Å; Y137-N160 PolarHBondContact O-N 2.8Å
138V98.9Very high96.6Very high0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-129.5121175.5176.80000108.8I111 I112 I113 D114 P157 G158 A163 I167 W187I111-V138 HydrophobicContact CG2-CG2 4.48Å; I112-V138 PolarHBondContact O-N 2.88Å; I113-V138 CarbonylContact C-O 3.18Å; I113-V138 VanDerWaalsContact CA-O 3.29Å; I113-V138 WeakPolarHBondContact CA-O 2.9Å; I113-V138 HydrophobicContact CG1-CB 4.43Å; D114-V138 PolarHBondContact N-O 3.42Å; V138-P157 HydrophobicContact CG1-CB 3.9Å; V138-G158 CarbonylContact C-O 3.59Å; V138-G158 WeakPolarHBondContact CA-O 3.41Å; V138-G158 WeakPolarHBondContact CG1-O 3.42Å; V138-A163 HydrophobicContact CG2-CB 3.46Å; V138-A163 VanDerWaalsContact CG2-CB 3.46Å; V138-I167 HydrophobicContact CB-CD1 4.38Å; V138-I167 HydrophobicContact CG1-CD1 3.96Å; V138-I167 HydrophobicContact CG2-CD1 4.01Å; V138-W187 HydrophobicContact CG1-CZ3 4.3Å; V138-W187 HydrophobicContact CG2-CH2 4.32Å; V138-W187 HydrophobicContact CG2-CZ3 4.26Å
139G98.7Very high96.4Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-90.9122.4162.800000109.4G158 H195G139-G158 PolarHBondContact N-O 2.8Å; G139-G158 PolarHBondContact O-N 3.15Å; G139-H195 WeakPolarHBondContact CA-CE1 3.49Å
140T98.6Very high96.4Very high0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-126.1122.7-177-172.50000111.9M86 I113 D114 G115 V142 M156 F171 H195M86-T140 HydrophobicContact CE-CG2 4.02Å; I113-T140 HydrophobicContact CG2-CG2 3.61Å; D114-T140 PolarHBondContact O-N 2.95Å; G115-T140 WeakPolarHBondContact CA-O 3.29Å; T140-V142 HydrophobicContact CG2-CG2 4.42Å; T140-V142 PolarHBondContact O-N 2.84Å; T140-M156 WeakPolarHBondContact CA-O 3.5Å; T140-F171 HydrophobicContact CG2-CE2 3.95Å; T140-F171 HydrophobicContact CG2-CZ 4.12Å; T140-H195 PolarHBondContact N-NE2 3.38Å; T140-H195 PolarHBondContact O-NE2 3.29Å
141G97.4Very high96.3Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-66.4124.1167.300000111.6L155 M156G141-L155 CarbonylContact O-C 3.34Å; G141-L155 WeakPolarHBondContact O-CA 2.97Å; G141-M156 PolarHBondContact N-O 3.39Å; G141-M156 PolarHBondContact O-N 3.49Å
142V97.5Very high96.3Very high6 Ų638.7 Ų38.74%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-109.8118169-174.40000109.8M28 L32 M86 L88 T140 P153 L155 K198M28-V142 HydrophobicContact CE-CG1 3.86Å; L32-V142 HydrophobicContact CD1-CG1 4.03Å; L32-V142 HydrophobicContact CD1-CG2 4.38Å; L32-V142 HydrophobicContact CD2-CG1 4.49Å; M86-V142 HydrophobicContact CE-CG2 3.98Å; L88-V142 HydrophobicContact CD1-CG2 4.4Å; T140-V142 HydrophobicContact CG2-CG2 4.42Å; T140-V142 PolarHBondContact O-N 2.84Å; V142-P153 HydrophobicContact CG1-CB 4.05Å; V142-P153 HydrophobicContact CG1-CG 4.45Å; V142-L155 HydrophobicContact CB-CD2 4.24Å; V142-L155 HydrophobicContact CG1-CD2 4.04Å; V142-L155 HydrophobicContact CG2-CD2 3.77Å; V142-K198 PolarHBondContact O-NZ 3.13Å
143S97Very high96.3Very high5 Ų530.2 Ų30.24%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-124.6147.7178.2-170.40000111.9P153 S154 H201 C384 I385S143-P153 VanDerWaalsContact O-CA 3.3Å; S143-P153 WeakPolarHBondContact O-CA 3.41Å; S143-P153 WeakPolarHBondContact O-CB 3.38Å; S143-S154 PolarHBondContact N-O 2.99Å; S143-S154 PolarHBondContact O-N 3.3Å; S143-H201 PolarHBondContact OG-CE1 3.14Å; S143-H201 PolarHBondContact OG-NE2 3.44Å; S143-C384 WeakPolarHBondContact OG-CA 3.44Å; S143-C384 WeakPolarHBondContact OG-CB 3.17Å; S143-I385 PolarHBondContact OG-N 2.82Å
144G92.1Very high96.3Very high4 Ų425.5 Ų25.54%0.04114%0.138CC..SBendtrans139.6-617800000116.4G148 G383G144-G148 VanDerWaalsContact O-CA 3.3Å; G144-G148 WeakPolarHBondContact O-CA 3.39Å; G144-G148 PolarHBondContact O-N 3.28Å; G144-G383 WeakPolarHBondContact CA-O 3.33Å
145G89.2Confident96.3Very high30 Ų3024.4 Ų24.431%0.30913%0.127SC..Hα-helixtrans65-162-175.100000112.1A149G145-A149 VanDerWaalsContact O-CB 3.3Å; G145-A149 WeakPolarHBondContact O-CB 3.14Å; G145-A149 PolarHBondContact O-N 2.95Å
146E90.7Very high96.3Very high118 Ų11824.1 Ų24.155%0.55113%0.125SC*.Hα-helixtrans-60.4-53.5-177.4174.2163.8-161.200112.4V27 A149 R150V27-E146 HydrophobicContact CG1-CB 3.73Å; V27-E146 HydrophobicContact CG1-CG 3.47Å; V27-E146 VanDerWaalsContact CG1-CG 3.47Å; V27-E146 WeakPolarHBondContact CG1-OE1 3.29Å; E146-A149 PolarHBondContact O-N 2.79Å; E146-R150 PolarHBondContact O-N 3.2Å
147E91Very high96.3Very high124 Ų12423.6 Ų23.658%0.57912%0.123SC*.Hα-helixtrans-65.1-43.5-178.8-171.1-179.2-177.300111.8A149 R150 H151E147-A149 PolarHBondContact O-N 3.31Å; E147-R150 WeakPolarHBondContact O-CB 3.43Å; E147-R150 PolarHBondContact O-N 3.11Å; E147-R150 VanDerWaalsContact O-N 3.14Å; E147-H151 PolarHBondContact O-CD2 3.23Å; E147-H151 PolarHBondContact O-N 3.43Å; E147-H151 VanDerWaalsContact O-N 3.09Å
148G93.1Very high96.3Very high12 Ų1223.6 Ų23.612%0.12412%0.122CC..Hα-helixtrans-61.9-43.8175.800000111.8G144 R150 H151 G152 P153G144-G148 VanDerWaalsContact O-CA 3.3Å; G144-G148 WeakPolarHBondContact O-CA 3.39Å; G144-G148 PolarHBondContact O-N 3.28Å; G148-R150 PolarHBondContact O-N 3.39Å; G148-H151 PolarHBondContact O-N 2.82Å; G148-G152 CarbonylContact O-C 3.58Å; G148-G152 WeakPolarHBondContact O-CA 3.34Å; G148-G152 PolarHBondContact O-N 2.8Å; G148-P153 WeakPolarHBondContact O-CD 3.33Å
149A95.5Very high96.3Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-57.3-36.8175.400000112.5M28 N31 L32 N35 G145 E146 E147M28-A149 HydrophobicContact CE-CB 3.84Å; M28-A149 HydrophobicContact SD-CB 4.12Å; N31-A149 HydrophobicContact CB-CB 3.73Å; L32-A149 HydrophobicContact CG-CB 4.21Å; N35-A149 WeakPolarHBondContact CB-O 3.29Å; N35-A149 PolarHBondContact ND2-O 2.95Å; G145-A149 VanDerWaalsContact O-CB 3.3Å; G145-A149 WeakPolarHBondContact O-CB 3.14Å; G145-A149 PolarHBondContact O-N 2.95Å; E146-A149 PolarHBondContact O-N 2.79Å; E147-A149 PolarHBondContact O-N 3.31Å
150R97.7Very high96.2Very high55 Ų5524.8 Ų24.821%0.20813%0.129CC..Hα-helixtrans-74.8-37.6-176.2-175.959.6-171.988.7-6.6114N31 N35 D38 E146 E147 G148N31-R150 HydrophobicContact CB-CB 3.98Å; N31-R150 WeakPolarHBondContact OD1-CB 3.33Å; N31-R150 WeakPolarHBondContact OD1-CD 3.2Å; N35-R150 WeakPolarHBondContact CB-O 3.41Å; D38-R150 IonicContact OD1-NH2 2.7Å; D38-R150 IonicContact OD2-CZ 3.96Å; D38-R150 IonicContact OD2-NH1 2.79Å; D38-R150 PolarHBondContact OD2-NH1 3.46Å; D38-R150 IonicContact OD2-NH2 2.86Å; D38-R150 PolarHBondContact OD2-NH2 2.86Å; E146-R150 PolarHBondContact O-N 3.2Å; E147-R150 WeakPolarHBondContact O-CB 3.43Å; E147-R150 PolarHBondContact O-N 3.11Å; E147-R150 VanDerWaalsContact O-N 3.14Å; G148-R150 PolarHBondContact O-N 3.39Å
151H96.3Very high96.2Very high133 Ų13328.5 Ų28.562%0.61615%0.153SC*.Hα-helixtrans-116.9-15.5-168.3-63.1-60.6000114.5E147 G148E147-H151 PolarHBondContact O-CD2 3.23Å; E147-H151 PolarHBondContact O-N 3.43Å; E147-H151 VanDerWaalsContact O-N 3.09Å; G148-H151 PolarHBondContact O-N 2.82Å
152G97.5Very high96.2Very high6 Ų634.8 Ų34.86%0.06218%0.183CC..  trans154.791.4-177.400000111.8G148 I174 A176 G383G148-G152 CarbonylContact O-C 3.58Å; G148-G152 WeakPolarHBondContact O-CA 3.34Å; G148-G152 PolarHBondContact O-N 2.8Å; G152-I174 WeakPolarHBondContact CA-O 3.5Å; G152-A176 VanDerWaalsContact O-CB 3.27Å; G152-A176 WeakPolarHBondContact O-CB 3.48Å; G152-G383 WeakPolarHBondContact O-CA 3.46Å
153P98.1Very high96.3Very high0 Ų034.5 Ų34.50%018%0.181CC..  trans-81.2168.2174.531.1-31000110.1L32 N35 V142 S143 G148 L155 I174 A175 A176L32-P153 HydrophobicContact CD2-CG 3.83Å; N35-P153 WeakPolarHBondContact ND2-CD 3.46Å; V142-P153 HydrophobicContact CG1-CB 4.05Å; V142-P153 HydrophobicContact CG1-CG 4.45Å; S143-P153 VanDerWaalsContact O-CA 3.3Å; S143-P153 WeakPolarHBondContact O-CA 3.41Å; S143-P153 WeakPolarHBondContact O-CB 3.38Å; G148-P153 WeakPolarHBondContact O-CD 3.33Å; P153-L155 HydrophobicContact CG-CD2 4.1Å; P153-L155 HydrophobicContact CG-CG 4.19Å; P153-I174 VanDerWaalsContact CD-O 3.26Å; P153-I174 WeakPolarHBondContact CD-O 3.49Å; P153-A175 WeakPolarHBondContact O-CA 3.32Å; P153-A176 PolarHBondContact O-N 3.34Å
154S98.4Very high96.3Very high0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-83.4132.7157.6175.40000108.9S143 M156 M379S143-S154 PolarHBondContact N-O 2.99Å; S143-S154 PolarHBondContact O-N 3.3Å; S154-M156 WeakPolarHBondContact OG-CE 3.19Å; S154-M379 WeakPolarHBondContact CB-O 3.29Å; S154-M379 PolarHBondContact OG-O 2.99Å
155L98.6Very high96.6Very high2 Ų239.7 Ų39.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-121.8130179.8-63.8174.8000109.9G141 V142 P153 P157 F171 I174 A175 C184 C185G141-L155 CarbonylContact O-C 3.34Å; G141-L155 WeakPolarHBondContact O-CA 2.97Å; V142-L155 HydrophobicContact CB-CD2 4.24Å; V142-L155 HydrophobicContact CG1-CD2 4.04Å; V142-L155 HydrophobicContact CG2-CD2 3.77Å; P153-L155 HydrophobicContact CG-CD2 4.1Å; P153-L155 HydrophobicContact CG-CG 4.19Å; L155-P157 WeakPolarHBondContact O-CD 3.36Å; L155-F171 HydrophobicContact CB-CD2 4.38Å; L155-F171 HydrophobicContact CD1-CB 3.95Å; L155-F171 HydrophobicContact CD1-CD2 4.05Å; L155-F171 HydrophobicContact CD1-CG 3.96Å; L155-F171 WeakPolarHBondContact CD1-O 3.46Å; L155-I174 HydrophobicContact CD1-CD1 3.99Å; L155-I174 HydrophobicContact CD1-CG1 3.81Å; L155-A175 HydrophobicContact CD1-CB 4.34Å; L155-C184 PolarHBondContact N-O 3Å; L155-C184 VanDerWaalsContact N-O 3.13Å; L155-C185 HydrophobicContact CB-CB 3.93Å; L155-C185 WeakPolarHBondContact O-CA 3.3Å
156M98.4Very high97.1Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-125.166.4-172-53.2168.2-156.800109.9T140 G141 S154 T188 G194 V197 K198 H201 M379 W380T140-M156 WeakPolarHBondContact CA-O 3.5Å; G141-M156 PolarHBondContact N-O 3.39Å; G141-M156 PolarHBondContact O-N 3.49Å; S154-M156 WeakPolarHBondContact OG-CE 3.19Å; M156-T188 HydrophobicContact CB-CG2 3.94Å; M156-G194 CarbonylContact O-C 3.56Å; M156-G194 WeakPolarHBondContact O-CA 3.39Å; M156-V197 HydrophobicContact CB-CG1 4.5Å; M156-V197 HydrophobicContact CG-CG1 4.33Å; M156-V197 HydrophobicContact SD-CB 4.46Å; M156-V197 HydrophobicContact SD-CG1 3.77Å; M156-K198 HydrophobicContact CE-CD 4.17Å; M156-K198 HydrophobicContact SD-CB 4.07Å; M156-K198 HydrophobicContact SD-CD 4.12Å; M156-H201 HydrophobicContact CE-CB 4.34Å; M156-M379 HydrophobicContact CG-SD 4.42Å; M156-W380 VanDerWaalsContact CE-CD1 3.47Å; M156-W380 VanDerWaalsContact CE-NE1 3.29Å
157P98.6Very high97.5Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-70.4135-176.827.9-35.1000112.3V138 L155 W164 I167 F171 D186 W187 T188V138-P157 HydrophobicContact CG1-CB 3.9Å; L155-P157 WeakPolarHBondContact O-CD 3.36Å; P157-W164 HydrophobicContact CB-CE3 4.44Å; P157-W164 HydrophobicContact CB-CZ3 4.22Å; P157-W164 HydrophobicContact CG-CE3 4.07Å; P157-W164 HydrophobicContact CG-CH2 3.97Å; P157-W164 HydrophobicContact CG-CZ3 3.53Å; P157-I167 HydrophobicContact CB-CD1 4.44Å; P157-F171 HydrophobicContact CB-CD2 4.19Å; P157-F171 HydrophobicContact CB-CE2 4.09Å; P157-F171 HydrophobicContact CG-CD2 4.15Å; P157-D186 VanDerWaalsContact CD-O 3.29Å; P157-D186 WeakPolarHBondContact CD-O 3.37Å; P157-D186 WeakPolarHBondContact CG-O 3.32Å; P157-W187 HydrophobicContact CB-CE3 4.06Å; P157-W187 HydrophobicContact CB-CZ3 4.13Å; P157-W187 HydrophobicContact CG-CE3 4.34Å; P157-T188 VanDerWaalsContact C-OG1 3.29Å; P157-T188 WeakPolarHBondContact O-CB 3.48Å; P157-T188 PolarHBondContact O-N 3.16Å; P157-T188 PolarHBondContact O-OG1 3.3Å
158G98.5Very high97.8Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-147.6162.1166.900000110.8V138 G139 T188 G189 A191V138-G158 CarbonylContact C-O 3.59Å; V138-G158 WeakPolarHBondContact CA-O 3.41Å; V138-G158 WeakPolarHBondContact CG1-O 3.42Å; G139-G158 PolarHBondContact N-O 2.8Å; G139-G158 PolarHBondContact O-N 3.15Å; G158-T188 WeakPolarHBondContact CA-OG1 3.38Å; G158-T188 PolarHBondContact N-OG1 3.25Å; G158-G189 WeakPolarHBondContact CA-O 3.39Å; G158-A191 CarbonylContact C-O 3.25Å
159G98.5Very high98.1Very high1 Ų137.7 Ų37.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans141.6-131.9-176.500000113.2P161 W187 G189 P190 A191G159-P161 WeakPolarHBondContact O-CD 3.1Å; G159-W187 VanDerWaalsContact N-CH2 3.35Å; G159-G189 PolarHBondContact N-O 3.23Å; G159-G189 VanDerWaalsContact N-O 3.12Å; G159-P190 CarbonylContact O-C 3.58Å; G159-P190 VanDerWaalsContact O-CA 3.29Å; G159-P190 WeakPolarHBondContact O-CA 3.45Å; G159-A191 WeakPolarHBondContact CA-O 3.29Å; G159-A191 PolarHBondContact N-O 3.2Å; G159-A191 PolarHBondContact O-N 3.14Å; G159-A191 VanDerWaalsContact O-N 3.1Å
160N98.1Very high98.2Very high24 Ų2438 Ų3813%0.12820%0.197CC..  trans-78116.2175.6-170.5-40.7000110.2L136 Y137 E162 A163 W187L136-N160 HydrophobicContact CB-CB 4.42Å; L136-N160 WeakPolarHBondContact CD2-ND2 3.19Å; Y137-N160 PolarHBondContact O-N 2.8Å; N160-E162 PolarHBondContact O-N 3.34Å; N160-E162 WeakPolarHBondContact OD1-CB 3.41Å; N160-E162 PolarHBondContact OD1-N 3.25Å; N160-A163 WeakPolarHBondContact O-CB 3.37Å; N160-A163 PolarHBondContact O-N 3.22Å; N160-A163 VanDerWaalsContact O-N 3.08Å; N160-W187 WeakPolarHBondContact O-CH2 3.37Å
161P97.2Very high98.3Very high78 Ų7835.5 Ų35.551%0.50619%0.187SC..G310 helixtrans-64.4-22.7-174.426.6-35.3000113.9G159 A163 W164 W187G159-P161 WeakPolarHBondContact O-CD 3.1Å; P161-A163 PolarHBondContact O-N 3.33Å; P161-W164 PolarHBondContact O-N 2.79Å; P161-W164 VanDerWaalsContact O-N 3.15Å; P161-W187 HydrophobicContact CB-CZ2 4.1Å
162E98.2Very high98.4Very high133 Ų13331.2 Ų31.262%0.62117%0.168SC*.G310 helixtrans-65.1-22176.3-63.4-177.4179.900112.3L136 N160 H166L136-E162 HydrophobicContact CD1-CB 4Å; L136-E162 HydrophobicContact CD2-CB 4.05Å; N160-E162 PolarHBondContact O-N 3.34Å; N160-E162 WeakPolarHBondContact OD1-CB 3.41Å; N160-E162 PolarHBondContact OD1-N 3.25Å; E162-H166 PolarHBondContact O-CD2 3.05Å
163A98.6Very high98.4Very high0 Ų032.2 Ų32.20%018%0.175CC..G310 helixtrans-74.6-27.617600000112.8I111 L136 V138 N160 P161 H166 I167I111-A163 HydrophobicContact CD1-CB 4.13Å; I111-A163 HydrophobicContact CG1-CB 4.21Å; I111-A163 HydrophobicContact CG2-CB 3.89Å; L136-A163 HydrophobicContact CB-CB 4.01Å; L136-A163 HydrophobicContact CD1-CB 4.25Å; V138-A163 HydrophobicContact CG2-CB 3.46Å; V138-A163 VanDerWaalsContact CG2-CB 3.46Å; N160-A163 WeakPolarHBondContact O-CB 3.37Å; N160-A163 PolarHBondContact O-N 3.22Å; N160-A163 VanDerWaalsContact O-N 3.08Å; P161-A163 PolarHBondContact O-N 3.33Å; A163-H166 WeakPolarHBondContact O-CB 3.46Å; A163-H166 PolarHBondContact O-N 3.3Å; A163-I167 PolarHBondContact O-N 3.2Å
164W98.6Very high98.4Very high28 Ų2832.3 Ų32.311%0.10618%0.176CC..Hα-helixtrans-57.9-47.7-169.2180-133.2000113.6P157 P161 H166 I167 K168 F171 Q172 W187P157-W164 HydrophobicContact CB-CE3 4.44Å; P157-W164 HydrophobicContact CB-CZ3 4.22Å; P157-W164 HydrophobicContact CG-CE3 4.07Å; P157-W164 HydrophobicContact CG-CH2 3.97Å; P157-W164 HydrophobicContact CG-CZ3 3.53Å; P161-W164 PolarHBondContact O-N 2.79Å; P161-W164 VanDerWaalsContact O-N 3.15Å; W164-H166 PolarHBondContact O-N 2.9Å; W164-H166 VanDerWaalsContact O-N 3.11Å; W164-I167 HydrophobicContact CE3-CD1 3.93Å; W164-I167 HydrophobicContact CE3-CG1 3.6Å; W164-I167 HydrophobicContact CZ3-CD1 4.29Å; W164-I167 HydrophobicContact CZ3-CG1 4Å; W164-I167 PolarHBondContact O-N 3.34Å; W164-I167 VanDerWaalsContact O-N 3.16Å; W164-K168 HydrophobicContact CD2-CB 3.89Å; W164-K168 HydrophobicContact CD2-CG 4.48Å; W164-K168 HydrophobicContact CE3-CB 4.02Å; W164-K168 HydrophobicContact CH2-CB 3.89Å; W164-K168 HydrophobicContact CH2-CG 3.92Å; W164-K168 HydrophobicContact CZ2-CB 3.8Å; W164-K168 HydrophobicContact CZ2-CD 3.84Å; W164-K168 HydrophobicContact CZ2-CG 3.56Å; W164-K168 HydrophobicContact CZ3-CB 3.99Å; W164-K168 WeakPolarHBondContact O-CB 3.31Å; W164-K168 PolarHBondContact O-N 3.14Å; W164-F171 HydrophobicContact CZ3-CB 4.28Å; W164-F171 HydrophobicContact CZ3-CD2 4.31Å; W164-Q172 HydrophobicContact CH2-CG 4.33Å; W164-W187 HydrophobicContact CB-CD2 4.07Å; W164-W187 HydrophobicContact CB-CE3 3.68Å; W164-W187 HydrophobicContact CB-CZ3 3.98Å; W164-W187 HydrophobicContact CD2-CB 4.13Å; W164-W187 HydrophobicContact CD2-CD2 4.43Å; W164-W187 AromaticContact CD2-CE3 3.83Å; W164-W187 HydrophobicContact CD2-CE3 3.83Å; W164-W187 AromaticContact CE3-CE3 3.87Å; W164-W187 HydrophobicContact CE3-CE3 3.87Å; W164-W187 HydrophobicContact CE3-CZ3 4.45Å; W164-W187 HydrophobicContact CG-CB 4.13Å; W164-W187 HydrophobicContact CG-CD2 4.09Å; W164-W187 AromaticContact CG-CE3 3.77Å; W164-W187 HydrophobicContact CG-CE3 3.77Å; W164-W187 HydrophobicContact CG-CG 4.27Å; W164-W187 HydrophobicContact CZ2-CB 4.46Å
165P98.6Very high98.4Very high89 Ų8932.5 Ų32.558%0.57818%0.177SC*.Hα-helixtrans-58.2-28.7178.2-2535.8000114
166H98.6Very high98.4Very high82 Ų8233.1 Ų33.138%0.3818%0.182SC..Hα-helixtrans-81.4-27.9-178.8-62.2-63000113.6P82 I111 E162 A163 W164P82-H166 HydrophobicContact CG-CB 4.4Å; I111-H166 HydrophobicContact CD1-CB 3.44Å; I111-H166 VanDerWaalsContact CD1-CB 3.44Å; E162-H166 PolarHBondContact O-CD2 3.05Å; A163-H166 WeakPolarHBondContact O-CB 3.46Å; A163-H166 PolarHBondContact O-N 3.3Å; W164-H166 PolarHBondContact O-N 2.9Å; W164-H166 VanDerWaalsContact O-N 3.11Å
167I98.6Very high98.3Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-103.1-23.8-177.667.2173.6000112.9K84 I111 I113 V138 P157 A163 W164 P169 I170 F171K84-I167 HydrophobicContact CD-CG2 4.19Å; K84-I167 HydrophobicContact CG-CG2 4.25Å; I111-I167 HydrophobicContact CD1-CG2 4.21Å; I111-I167 HydrophobicContact CG2-CG2 4.4Å; I113-I167 HydrophobicContact CD1-CG2 3.83Å; V138-I167 HydrophobicContact CB-CD1 4.38Å; V138-I167 HydrophobicContact CG1-CD1 3.96Å; V138-I167 HydrophobicContact CG2-CD1 4.01Å; P157-I167 HydrophobicContact CB-CD1 4.44Å; A163-I167 PolarHBondContact O-N 3.2Å; W164-I167 HydrophobicContact CE3-CD1 3.93Å; W164-I167 HydrophobicContact CE3-CG1 3.6Å; W164-I167 HydrophobicContact CZ3-CD1 4.29Å; W164-I167 HydrophobicContact CZ3-CG1 4Å; W164-I167 PolarHBondContact O-N 3.34Å; W164-I167 VanDerWaalsContact O-N 3.16Å; I167-P169 VanDerWaalsContact C-CD 3.49Å; I167-I170 PolarHBondContact O-N 3.16Å; I167-I170 VanDerWaalsContact O-N 3.08Å; I167-F171 HydrophobicContact CB-CD1 4.23Å; I167-F171 HydrophobicContact CB-CE1 4.26Å; I167-F171 HydrophobicContact CD1-CD2 4.28Å; I167-F171 HydrophobicContact CD1-CE2 3.99Å; I167-F171 HydrophobicContact CD1-CZ 4.15Å; I167-F171 PolarHBondContact O-N 3.09Å
168K98.7Very high97.8Very high82 Ų8238.5 Ų38.536%0.35721%0.207SC..Hα-helixtrans-49.6-47.5-177.4177.4176.9-173.2173.20113.8W164 I170 F171 Q172W164-K168 HydrophobicContact CD2-CB 3.89Å; W164-K168 HydrophobicContact CD2-CG 4.48Å; W164-K168 HydrophobicContact CE3-CB 4.02Å; W164-K168 HydrophobicContact CH2-CB 3.89Å; W164-K168 HydrophobicContact CH2-CG 3.92Å; W164-K168 HydrophobicContact CZ2-CB 3.8Å; W164-K168 HydrophobicContact CZ2-CD 3.84Å; W164-K168 HydrophobicContact CZ2-CG 3.56Å; W164-K168 HydrophobicContact CZ3-CB 3.99Å; W164-K168 WeakPolarHBondContact O-CB 3.31Å; W164-K168 PolarHBondContact O-N 3.14Å; K168-I170 VanDerWaalsContact C-N 3.29Å; K168-I170 PolarHBondContact O-N 3.18Å; K168-F171 PolarHBondContact O-N 3.21Å; K168-Q172 HydrophobicContact CG-CG 4.13Å; K168-Q172 WeakPolarHBondContact O-CB 3.21Å; K168-Q172 PolarHBondContact O-N 2.67Å
169P98.5Very high97.1Very high79 Ų7942.4 Ų42.451%0.51325%0.248SC..Hα-helixtrans-61.5-37.8-179-23.334.9000112.9I167 A173I167-P169 VanDerWaalsContact C-CD 3.49Å; P169-A173 WeakPolarHBondContact O-CB 3.47Å; P169-A173 PolarHBondContact O-N 3.21Å
170I98.7Very high96.4Very high7 Ų745.8 Ų45.84%0.03627%0.271CS..Hα-helixtrans-71.5-52178.8-53.8178.4000109.4I20 M36 F41 K84 I167 K168 A173 I174I20-I170 HydrophobicContact CB-CD1 3.97Å; I20-I170 HydrophobicContact CD1-CD1 4.3Å; I20-I170 HydrophobicContact CD1-CG2 4.5Å; I20-I170 HydrophobicContact CG2-CD1 4.28Å; M36-I170 HydrophobicContact CG-CG2 4.25Å; M36-I170 HydrophobicContact SD-CG2 4.47Å; F41-I170 HydrophobicContact CD1-CD1 4.45Å; F41-I170 HydrophobicContact CD1-CG1 3.9Å; F41-I170 HydrophobicContact CD2-CG2 4.08Å; F41-I170 HydrophobicContact CE1-CB 4.41Å; F41-I170 HydrophobicContact CE1-CG1 3.68Å; F41-I170 HydrophobicContact CE2-CB 4.35Å; F41-I170 HydrophobicContact CE2-CG1 4.46Å; F41-I170 HydrophobicContact CE2-CG2 4.17Å; F41-I170 HydrophobicContact CG-CG1 4.38Å; F41-I170 HydrophobicContact CG-CG2 4.35Å; F41-I170 HydrophobicContact CZ-CB 4.23Å; F41-I170 HydrophobicContact CZ-CG1 3.99Å; K84-I170 HydrophobicContact CD-CD1 4.31Å; I167-I170 PolarHBondContact O-N 3.16Å; I167-I170 VanDerWaalsContact O-N 3.08Å; K168-I170 VanDerWaalsContact C-N 3.29Å; K168-I170 PolarHBondContact O-N 3.18Å; I170-A173 PolarHBondContact O-N 3.16Å; I170-I174 WeakPolarHBondContact O-CG1 3.48Å; I170-I174 PolarHBondContact O-N 2.89Å; I170-I174 VanDerWaalsContact O-N 3.07Å
171F98.7Very high96.1Very high1 Ų146.9 Ų46.90%0.00429%0.288CS..Hα-helixtrans-64.5-46.5-173.5-84.334.5000111.7I113 T140 L155 P157 W164 I167 K168 A173 A175I113-F171 HydrophobicContact CD1-CE1 4.12Å; I113-F171 HydrophobicContact CD1-CZ 4.08Å; I113-F171 HydrophobicContact CG2-CZ 3.84Å; T140-F171 HydrophobicContact CG2-CE2 3.95Å; T140-F171 HydrophobicContact CG2-CZ 4.12Å; L155-F171 HydrophobicContact CB-CD2 4.38Å; L155-F171 HydrophobicContact CD1-CB 3.95Å; L155-F171 HydrophobicContact CD1-CD2 4.05Å; L155-F171 HydrophobicContact CD1-CG 3.96Å; L155-F171 WeakPolarHBondContact CD1-O 3.46Å; P157-F171 HydrophobicContact CB-CD2 4.19Å; P157-F171 HydrophobicContact CB-CE2 4.09Å; P157-F171 HydrophobicContact CG-CD2 4.15Å; W164-F171 HydrophobicContact CZ3-CB 4.28Å; W164-F171 HydrophobicContact CZ3-CD2 4.31Å; I167-F171 HydrophobicContact CB-CD1 4.23Å; I167-F171 HydrophobicContact CB-CE1 4.26Å; I167-F171 HydrophobicContact CD1-CD2 4.28Å; I167-F171 HydrophobicContact CD1-CE2 3.99Å; I167-F171 HydrophobicContact CD1-CZ 4.15Å; I167-F171 PolarHBondContact O-N 3.09Å; K168-F171 PolarHBondContact O-N 3.21Å; F171-A173 VanDerWaalsContact C-N 3.32Å; F171-A173 PolarHBondContact O-N 3.43Å; F171-A175 VanDerWaalsContact O-CB 3.27Å; F171-A175 WeakPolarHBondContact O-CB 3.32Å; F171-A175 PolarHBondContact O-N 2.92Å
172Q98.5Very high96Very high44 Ų4446.7 Ų46.721%0.20628%0.28CS..Hα-helixtrans-69-31.9178.1-69.9-166.8-37.900112W164 K168 K177 P183 C185W164-Q172 HydrophobicContact CH2-CG 4.33Å; K168-Q172 HydrophobicContact CG-CG 4.13Å; K168-Q172 WeakPolarHBondContact O-CB 3.21Å; K168-Q172 PolarHBondContact O-N 2.67Å; Q172-K177 PolarHBondContact O-NZ 2.86Å; Q172-P183 HydrophobicContact CB-CB 4.02Å; Q172-P183 HydrophobicContact CB-CG 3.99Å; Q172-P183 HydrophobicContact CG-CB 4.14Å; Q172-P183 HydrophobicContact CG-CG 3.84Å; Q172-C185 HydrophobicContact CG-CB 4.4Å; Q172-C185 PolarHBondContact NE2-O 3.08Å
173A98.3Very high95.9Very high27 Ų2741.7 Ų41.722%0.22326%0.259CS..Hα-helixtrans-64.2-48.917600000111.8H39 F41 P169 I170 F171H39-A173 HydrophobicContact CB-CB 4.39Å; H39-A173 PolarHBondContact CD2-O 3.44Å; H39-A173 VanDerWaalsContact CD2-O 3.29Å; H39-A173 PolarHBondContact NE2-O 3Å; F41-A173 HydrophobicContact CE2-CB 3.73Å; F41-A173 HydrophobicContact CZ-CB 4.05Å; P169-A173 WeakPolarHBondContact O-CB 3.47Å; P169-A173 PolarHBondContact O-N 3.21Å; I170-A173 PolarHBondContact O-N 3.16Å; F171-A173 VanDerWaalsContact C-N 3.32Å; F171-A173 PolarHBondContact O-N 3.43Å
174I98.4Very high95.9Very high2 Ų241.7 Ų41.71%0.0126%0.259CS..Hα-helixtrans-80.1-17.8-175.270.8178.5000114.2L32 N35 M36 H39 G152 P153 L155 I170L32-I174 HydrophobicContact CD2-CD1 4.11Å; N35-I174 PolarHBondContact ND2-O 3.19Å; M36-I174 HydrophobicContact CB-CG2 4.29Å; M36-I174 HydrophobicContact CE-CD1 3.64Å; M36-I174 HydrophobicContact CG-CD1 3.82Å; M36-I174 HydrophobicContact CG-CG2 3.8Å; H39-I174 HydrophobicContact CB-CG2 4.16Å; G152-I174 WeakPolarHBondContact CA-O 3.5Å; P153-I174 VanDerWaalsContact CD-O 3.26Å; P153-I174 WeakPolarHBondContact CD-O 3.49Å; L155-I174 HydrophobicContact CD1-CD1 3.99Å; L155-I174 HydrophobicContact CD1-CG1 3.81Å; I170-I174 WeakPolarHBondContact O-CG1 3.48Å; I170-I174 PolarHBondContact O-N 2.89Å; I170-I174 VanDerWaalsContact O-N 3.07Å
175A98.5Very high95.9Very high4 Ų440.4 Ų40.43%0.03326%0.255CS..SBendtrans-68.4151.4-179.500000112.1P153 L155 F171 P183 C185P153-A175 WeakPolarHBondContact O-CA 3.32Å; L155-A175 HydrophobicContact CD1-CB 4.34Å; F171-A175 VanDerWaalsContact O-CB 3.27Å; F171-A175 WeakPolarHBondContact O-CB 3.32Å; F171-A175 PolarHBondContact O-N 2.92Å; A175-P183 HydrophobicContact CB-CB 4.47Å; A175-C185 HydrophobicContact CB-CB 3.63Å
176A97.7Very high95.8Very high14 Ų1439.3 Ų39.312%0.11624%0.244CC..PPolyproline II helixtrans-52.2152.2168.500000111.1G152 P153 P183 C184 G383G152-A176 VanDerWaalsContact O-CB 3.27Å; G152-A176 WeakPolarHBondContact O-CB 3.48Å; P153-A176 PolarHBondContact O-N 3.34Å; A176-P183 CarbonylContact O-C 3.29Å; A176-P183 WeakPolarHBondContact O-CA 3.19Å; A176-C184 HydrophobicContact CB-CB 4.14Å; A176-C184 WeakPolarHBondContact O-CB 3.31Å; A176-C184 PolarHBondContact O-N 3.24Å; A176-C184 PolarHBondContact O-SG 2.84Å; A176-G383 VanDerWaalsContact CB-CA 3.47Å
177K96Very high95.8Very high106 Ų10638.2 Ų38.246%0.46124%0.237SC..BIsolated β-bridgetrans-104134171.4-51.1-54.6180178.30109.4Q172 E182 P183Q172-K177 PolarHBondContact O-NZ 2.86Å; K177-E182 CarbonylContact C-O 3.51Å; K177-E182 WeakPolarHBondContact CA-O 3.17Å; K177-P183 HydrophobicContact CD-CB 4.33Å
178A88.4Confident95.7Very high8 Ų838.6 Ų38.67%0.06624%0.239CC..PPolyproline II helixtrans-63.9163.7167.100000109.7S180 G181 E182 L378 R381A178-S180 PolarHBondContact O-N 2.82Å; A178-G181 PolarHBondContact O-N 3.49Å; A178-E182 PolarHBondContact N-O 2.83Å; A178-L378 HydrophobicContact CB-CD1 3.91Å; A178-R381 HydrophobicContact CB-CG 4.5Å
179G83.4Confident95.6Very high82 Ų8235.2 Ų35.285%0.84523%0.227SC*.THydrogen-bonded Turntrans-57.9-20178.900000114.5
180S84.1Confident95.5Very high71 Ų7134.2 Ų34.250%0.49722%0.221SC..THydrogen-bonded Turntrans-88.3-3.4175.241.50000114.4A178 E182A178-S180 PolarHBondContact O-N 2.82Å; S180-E182 WeakPolarHBondContact CB-OE2 3.46Å; S180-E182 PolarHBondContact OG-OE2 2.7Å
181G92.4Very high95.4Very high48 Ų4834.5 Ų34.550%0.49522%0.224SC..SBendtrans96.6-14.7176.300000114.9A178A178-G181 PolarHBondContact O-N 3.49Å
182E94.1Very high95.4Very high73 Ų7334.5 Ų34.534%0.34122%0.224SC..  trans-64.7142176.6-61.3104.5121.500112K177 A178 S180 L378K177-E182 CarbonylContact C-O 3.51Å; K177-E182 WeakPolarHBondContact CA-O 3.17Å; A178-E182 PolarHBondContact N-O 2.83Å; S180-E182 WeakPolarHBondContact CB-OE2 3.46Å; S180-E182 PolarHBondContact OG-OE2 2.7Å; E182-L378 HydrophobicContact CB-CD1 4.44Å; E182-L378 HydrophobicContact CB-CD2 4.04Å; E182-L378 HydrophobicContact CG-CD2 4.45Å
183P97.5Very high95.4Very high28 Ų2832.4 Ų32.418%0.18221%0.214CC..BIsolated β-bridgetrans-65.5139.8172.828.9-33.7000110.9Q172 A175 A176 K177 C185Q172-P183 HydrophobicContact CB-CB 4.02Å; Q172-P183 HydrophobicContact CB-CG 3.99Å; Q172-P183 HydrophobicContact CG-CB 4.14Å; Q172-P183 HydrophobicContact CG-CG 3.84Å; A175-P183 HydrophobicContact CB-CB 4.47Å; A176-P183 CarbonylContact O-C 3.29Å; A176-P183 WeakPolarHBondContact O-CA 3.19Å; K177-P183 HydrophobicContact CD-CB 4.33Å; P183-C185 PolarHBondContact O-N 2.95Å
184C97.9Very high95.4Very high0 Ų031.1 Ų31.10%020%0.204CC..SBendtrans-76.548.9169.4-62.80000110.1L155 A176 M379 G382L155-C184 PolarHBondContact N-O 3Å; L155-C184 VanDerWaalsContact N-O 3.13Å; A176-C184 HydrophobicContact CB-CB 4.14Å; A176-C184 WeakPolarHBondContact O-CB 3.31Å; A176-C184 PolarHBondContact O-N 3.24Å; A176-C184 PolarHBondContact O-SG 2.84Å; C184-M379 WeakPolarHBondContact CB-O 3.37Å; C184-G382 VanDerWaalsContact SG-CA 3.53Å; C184-G382 PolarHBondContact SG-N 3.33Å; C184-G382 VanDerWaalsContact SG-N 3.39Å
185C98.3Very high95.4Very high1 Ų131.1 Ų31.11%0.00720%0.204CC..BIsolated β-bridgetrans-159121.4-178.3177.50000110.6L155 Q172 A175 P183L155-C185 HydrophobicContact CB-CB 3.93Å; L155-C185 WeakPolarHBondContact O-CA 3.3Å; Q172-C185 HydrophobicContact CG-CB 4.4Å; Q172-C185 PolarHBondContact NE2-O 3.08Å; A175-C185 HydrophobicContact CB-CB 3.63Å; P183-C185 PolarHBondContact O-N 2.95Å
186D97.4Very high95.4Very high67 Ų6731 Ų3136%0.35820%0.202SC..  trans-149.3170166.2-150.3-7.3000111.4P157 T188 M379P157-D186 VanDerWaalsContact CD-O 3.29Å; P157-D186 WeakPolarHBondContact CD-O 3.37Å; P157-D186 WeakPolarHBondContact CG-O 3.32Å; D186-T188 PolarHBondContact O-N 3.4Å; D186-M379 HydrophobicContact CB-SD 4.48Å; D186-M379 PolarHBondContact N-SD 3.1Å; D186-M379 VanDerWaalsContact O-SD 3.4Å
187W98Very high95.4Very high58 Ų5830.3 Ų30.322%0.2220%0.197CC..  trans-66.5116.5177.6-171.6-108.5000111.2V138 P157 G159 N160 P161 W164 G189V138-W187 HydrophobicContact CG1-CZ3 4.3Å; V138-W187 HydrophobicContact CG2-CH2 4.32Å; V138-W187 HydrophobicContact CG2-CZ3 4.26Å; P157-W187 HydrophobicContact CB-CE3 4.06Å; P157-W187 HydrophobicContact CB-CZ3 4.13Å; P157-W187 HydrophobicContact CG-CE3 4.34Å; G159-W187 VanDerWaalsContact N-CH2 3.35Å; N160-W187 WeakPolarHBondContact O-CH2 3.37Å; P161-W187 HydrophobicContact CB-CZ2 4.1Å; W164-W187 HydrophobicContact CB-CD2 4.07Å; W164-W187 HydrophobicContact CB-CE3 3.68Å; W164-W187 HydrophobicContact CB-CZ3 3.98Å; W164-W187 HydrophobicContact CD2-CB 4.13Å; W164-W187 HydrophobicContact CD2-CD2 4.43Å; W164-W187 AromaticContact CD2-CE3 3.83Å; W164-W187 HydrophobicContact CD2-CE3 3.83Å; W164-W187 AromaticContact CE3-CE3 3.87Å; W164-W187 HydrophobicContact CE3-CE3 3.87Å; W164-W187 HydrophobicContact CE3-CZ3 4.45Å; W164-W187 HydrophobicContact CG-CB 4.13Å; W164-W187 HydrophobicContact CG-CD2 4.09Å; W164-W187 AromaticContact CG-CE3 3.77Å; W164-W187 HydrophobicContact CG-CE3 3.77Å; W164-W187 HydrophobicContact CG-CG 4.27Å; W164-W187 HydrophobicContact CZ2-CB 4.46Å; W187-G189 WeakPolarHBondContact CZ2-O 3.4Å; W187-G189 PolarHBondContact NE1-O 3.35Å
188T97.1Very high95.5Very high9 Ų925.8 Ų25.86%0.05518%0.177CC..  trans-75.6-36.5-178.759.30000112.8M156 P157 G158 D186 S193 G194 V197 L371 M379M156-T188 HydrophobicContact CB-CG2 3.94Å; P157-T188 VanDerWaalsContact C-OG1 3.29Å; P157-T188 WeakPolarHBondContact O-CB 3.48Å; P157-T188 PolarHBondContact O-N 3.16Å; P157-T188 PolarHBondContact O-OG1 3.3Å; G158-T188 WeakPolarHBondContact CA-OG1 3.38Å; G158-T188 PolarHBondContact N-OG1 3.25Å; D186-T188 PolarHBondContact O-N 3.4Å; T188-S193 PolarHBondContact OG1-OG 2.98Å; T188-G194 VanDerWaalsContact OG1-CA 3.29Å; T188-G194 WeakPolarHBondContact OG1-CA 3.5Å; T188-G194 PolarHBondContact OG1-N 3.46Å; T188-V197 HydrophobicContact CG2-CB 4.46Å; T188-V197 HydrophobicContact CG2-CG2 4.24Å; T188-L371 WeakPolarHBondContact O-CD2 3.44Å; T188-M379 HydrophobicContact CG2-CE 3.69Å; T188-M379 HydrophobicContact CG2-SD 4.21Å
189G96.5Very high95.9Very high10 Ų1025.7 Ų25.710%0.10318%0.176CC..EExtended strand (participates in β ladder)trans151.5-171.2-171.300000113.9G158 G159 W187 S193G158-G189 WeakPolarHBondContact CA-O 3.39Å; G159-G189 PolarHBondContact N-O 3.23Å; G159-G189 VanDerWaalsContact N-O 3.12Å; W187-G189 WeakPolarHBondContact CZ2-O 3.4Å; W187-G189 PolarHBondContact NE1-O 3.35Å; G189-S193 WeakPolarHBondContact CA-OG 3.48Å; G189-S193 PolarHBondContact N-OG 3.22Å; G189-S193 PolarHBondContact O-OG 3.39Å
190P96.8Very high96.7Very high58 Ų5821.8 Ų21.838%0.37714%0.136SC..EExtended strand (participates in β ladder)trans-79.5166.8-178.934.5-35.4000112.4G159 G192 S193 W369G159-P190 CarbonylContact O-C 3.58Å; G159-P190 VanDerWaalsContact O-CA 3.29Å; G159-P190 WeakPolarHBondContact O-CA 3.45Å; P190-G192 PolarHBondContact O-N 2.95Å; P190-S193 VanDerWaalsContact O-CB 3.26Å; P190-S193 WeakPolarHBondContact O-CB 3.49Å; P190-S193 PolarHBondContact O-N 3.5Å; P190-S193 VanDerWaalsContact O-N 3.11Å; P190-S193 PolarHBondContact O-OG 2.98Å; P190-W369 VanDerWaalsContact CG-CD1 3.49Å; P190-W369 HydrophobicContact CG-CG 4.17Å
191A96.7Very high97.3Very high14 Ų1418.4 Ų18.412%0.11611%0.112CC..THydrogen-bonded Turntrans52.8-123.5166.900000114.1D124 G158 G159 S193 W369D124-A191 HydrophobicContact CB-CB 4.43Å; D124-A191 WeakPolarHBondContact OD1-CB 3.4Å; G158-A191 CarbonylContact C-O 3.25Å; G159-A191 WeakPolarHBondContact CA-O 3.29Å; G159-A191 PolarHBondContact N-O 3.2Å; G159-A191 PolarHBondContact O-N 3.14Å; G159-A191 VanDerWaalsContact O-N 3.1Å; A191-S193 VanDerWaalsContact C-N 3.27Å; A191-S193 PolarHBondContact O-N 3.22Å; A191-W369 HydrophobicContact CB-CZ2 3.85Å
192G97.7Very high97.6Very high0 Ų016.7 Ų16.70%09%0.091CC..THydrogen-bonded Turntrans-78.81.1-177.600000115.4P190 G194 H195 Y196P190-G192 PolarHBondContact O-N 2.95Å; G192-G194 VanDerWaalsContact C-N 3.28Å; G192-G194 PolarHBondContact O-N 2.93Å; G192-G194 VanDerWaalsContact O-N 3.14Å; G192-H195 PolarHBondContact O-N 3.1Å; G192-H195 VanDerWaalsContact O-N 3.16Å; G192-Y196 PolarHBondContact O-N 3.47Å
193S98.1Very high97.8Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-56-38.4-167.8670000113.9T188 G189 P190 A191 Y196 V197T188-S193 PolarHBondContact OG1-OG 2.98Å; G189-S193 WeakPolarHBondContact CA-OG 3.48Å; G189-S193 PolarHBondContact N-OG 3.22Å; G189-S193 PolarHBondContact O-OG 3.39Å; P190-S193 VanDerWaalsContact O-CB 3.26Å; P190-S193 WeakPolarHBondContact O-CB 3.49Å; P190-S193 PolarHBondContact O-N 3.5Å; P190-S193 VanDerWaalsContact O-N 3.11Å; P190-S193 PolarHBondContact O-OG 2.98Å; A191-S193 VanDerWaalsContact C-N 3.27Å; A191-S193 PolarHBondContact O-N 3.22Å; S193-Y196 WeakPolarHBondContact O-CB 3.47Å; S193-Y196 PolarHBondContact O-N 3.14Å; S193-V197 VanDerWaalsContact O-CG2 3.3Å; S193-V197 WeakPolarHBondContact O-CG2 3.45Å; S193-V197 PolarHBondContact O-N 3.03Å
194G98.2Very high97.8Very high0 Ų011.9 Ų11.90%07%0.066CC..Hα-helixtrans-64.6-45.6-178.900000112.9M156 T188 G192 K198M156-G194 CarbonylContact O-C 3.56Å; M156-G194 WeakPolarHBondContact O-CA 3.39Å; T188-G194 VanDerWaalsContact OG1-CA 3.29Å; T188-G194 WeakPolarHBondContact OG1-CA 3.5Å; T188-G194 PolarHBondContact OG1-N 3.46Å; G192-G194 VanDerWaalsContact C-N 3.28Å; G192-G194 PolarHBondContact O-N 2.93Å; G192-G194 VanDerWaalsContact O-N 3.14Å; G194-K198 PolarHBondContact O-N 3.25Å; G194-K198 VanDerWaalsContact O-N 3.09Å
195H98.3Very high97.9Very high3 Ų313.4 Ų13.41%0.0147%0.073CC..Hα-helixtrans-72.5-30.3174.6-72.7153.1000112.7D114 G116 T123 G139 T140 G192 K198 M199D114-H195 PolarHBondContact O-CE1 3.38Å; D114-H195 PolarHBondContact O-NE2 2.84Å; D114-H195 VanDerWaalsContact O-NE2 3.11Å; D114-H195 IonicContact OD2-CE1 2.7Å; D114-H195 PolarHBondContact OD2-CE1 3.3Å; G116-H195 PolarHBondContact O-NE2 3.24Å; T123-H195 PolarHBondContact OG1-ND1 3.01Å; G139-H195 WeakPolarHBondContact CA-CE1 3.49Å; T140-H195 PolarHBondContact N-NE2 3.38Å; T140-H195 PolarHBondContact O-NE2 3.29Å; G192-H195 PolarHBondContact O-N 3.1Å; G192-H195 VanDerWaalsContact O-N 3.16Å; H195-K198 PolarHBondContact O-N 3.45Å; H195-M199 WeakPolarHBondContact O-CB 3.4Å; H195-M199 PolarHBondContact O-N 3.46Å
196Y98.2Very high97.9Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-63.2-49.8172.3-175.1-93.7000111.7Y120 G192 S193 K198 M199 V200 C284 L359 L360 A363 F367 W369Y120-Y196 AromaticContact CD1-CD2 3.9Å; Y120-Y196 HydrophobicContact CD1-CD2 3.9Å; Y120-Y196 AromaticContact CD2-CD2 3.95Å; Y120-Y196 HydrophobicContact CD2-CD2 3.95Å; Y120-Y196 HydrophobicContact CE1-CD2 4.11Å; Y120-Y196 HydrophobicContact CE1-CE2 4.44Å; Y120-Y196 HydrophobicContact CE2-CD2 4.14Å; Y120-Y196 AromaticContact CG-CD2 3.84Å; Y120-Y196 HydrophobicContact CG-CD2 3.84Å; G192-Y196 PolarHBondContact O-N 3.47Å; S193-Y196 WeakPolarHBondContact O-CB 3.47Å; S193-Y196 PolarHBondContact O-N 3.14Å; Y196-K198 PolarHBondContact O-N 3.02Å; Y196-M199 HydrophobicContact CD2-CE 3.81Å; Y196-M199 HydrophobicContact CE2-CE 3.76Å; Y196-M199 WeakPolarHBondContact O-CB 3.48Å; Y196-M199 PolarHBondContact O-N 3.13Å; Y196-M199 VanDerWaalsContact O-N 3.13Å; Y196-V200 HydrophobicContact CD1-CG2 4.35Å; Y196-V200 HydrophobicContact CE1-CG2 4.04Å; Y196-V200 WeakPolarHBondContact O-CG2 3.43Å; Y196-V200 PolarHBondContact O-N 3.42Å; Y196-C284 VanDerWaalsContact CE2-SG 3.57Å; Y196-L359 WeakPolarHBondContact OH-CG 3.33Å; Y196-L359 PolarHBondContact OH-O 3.13Å; Y196-L360 HydrophobicContact CD1-CD2 4.1Å; Y196-L360 HydrophobicContact CE1-CD2 3.98Å; Y196-A363 HydrophobicContact CD1-CB 4.43Å; Y196-A363 HydrophobicContact CE1-CB 3.88Å; Y196-F367 HydrophobicContact CD2-CE2 4.16Å; Y196-F367 AromaticContact CE2-CE2 3.76Å; Y196-F367 HydrophobicContact CE2-CE2 3.76Å; Y196-F367 HydrophobicContact CE2-CZ 4.45Å; Y196-W369 HydrophobicContact CD2-CZ3 4.38Å; Y196-W369 HydrophobicContact CG-CZ3 4.06Å
197V98.3Very high97.9Very high0 Ų010.7 Ų10.70%06%0.058CC..Hα-helixtrans-58.1-41.1174.9173.90000110.2M156 T188 S193 V200 H201 L360 L371 I376 W380M156-V197 HydrophobicContact CB-CG1 4.5Å; M156-V197 HydrophobicContact CG-CG1 4.33Å; M156-V197 HydrophobicContact SD-CB 4.46Å; M156-V197 HydrophobicContact SD-CG1 3.77Å; T188-V197 HydrophobicContact CG2-CB 4.46Å; T188-V197 HydrophobicContact CG2-CG2 4.24Å; S193-V197 VanDerWaalsContact O-CG2 3.3Å; S193-V197 WeakPolarHBondContact O-CG2 3.45Å; S193-V197 PolarHBondContact O-N 3.03Å; V197-V200 PolarHBondContact O-N 2.7Å; V197-H201 WeakPolarHBondContact O-CB 3.47Å; V197-H201 PolarHBondContact O-N 2.82Å; V197-L360 HydrophobicContact CG2-CD2 4.07Å; V197-L371 HydrophobicContact CG2-CD1 4.33Å; V197-I376 HydrophobicContact CG1-CD1 4.41Å; V197-I376 HydrophobicContact CG1-CG1 4.15Å; V197-I376 HydrophobicContact CG1-CG2 3.83Å; V197-I376 HydrophobicContact CG2-CD1 3.7Å; V197-I376 HydrophobicContact CG2-CG1 4.15Å; V197-W380 HydrophobicContact CG1-CZ2 3.63Å; V197-W380 WeakPolarHBondContact O-CZ2 3.43Å
198K98.1Very high98Very high11 Ų118.1 Ų8.15%0.0485%0.049CC..Hα-helixtrans-65-39.1176.4-177.457.7-167.4-63.60113.7N117 V142 M156 G194 H195 Y196 H201 N202N117-K198 PolarHBondContact OD1-NZ 2.83Å; V142-K198 PolarHBondContact O-NZ 3.13Å; M156-K198 HydrophobicContact CE-CD 4.17Å; M156-K198 HydrophobicContact SD-CB 4.07Å; M156-K198 HydrophobicContact SD-CD 4.12Å; G194-K198 PolarHBondContact O-N 3.25Å; G194-K198 VanDerWaalsContact O-N 3.09Å; H195-K198 PolarHBondContact O-N 3.45Å; Y196-K198 PolarHBondContact O-N 3.02Å; K198-H201 WeakPolarHBondContact O-CB 3.45Å; K198-H201 PolarHBondContact O-N 3.27Å; K198-N202 WeakPolarHBondContact CE-OD1 3.44Å; K198-N202 PolarHBondContact O-N 3.13Å; K198-N202 PolarHBondContact O-OD1 2.96Å
199M98Very high98.1Very high7 Ų711.4 Ų11.43%0.0346%0.064CC..Hα-helixtrans-60.5-49.5175.1177-168.274.800109.8Y120 H195 Y196 H201 N202 G203 W280 T281 C284Y120-M199 HydrophobicContact CD1-CE 4.21Å; Y120-M199 HydrophobicContact CD1-SD 3.92Å; Y120-M199 HydrophobicContact CE1-CE 4.17Å; Y120-M199 HydrophobicContact CE1-SD 4.08Å; H195-M199 WeakPolarHBondContact O-CB 3.4Å; H195-M199 PolarHBondContact O-N 3.46Å; Y196-M199 HydrophobicContact CD2-CE 3.81Å; Y196-M199 HydrophobicContact CE2-CE 3.76Å; Y196-M199 WeakPolarHBondContact O-CB 3.48Å; Y196-M199 PolarHBondContact O-N 3.13Å; Y196-M199 VanDerWaalsContact O-N 3.13Å; M199-H201 PolarHBondContact O-N 2.84Å; M199-N202 PolarHBondContact O-N 3.02Å; M199-N202 VanDerWaalsContact O-N 3.13Å; M199-G203 PolarHBondContact O-N 3.44Å; M199-W280 HydrophobicContact CG-CB 3.96Å; M199-W280 HydrophobicContact SD-CB 3.53Å; M199-W280 VanDerWaalsContact SD-CB 3.53Å; M199-T281 WeakPolarHBondContact CG-OG1 3.4Å; M199-T281 PolarHBondContact O-OG1 3.32Å; M199-C284 HydrophobicContact CE-CB 3.74Å; M199-C284 HydrophobicContact SD-CB 4.48Å
200V98.3Very high98.2Very high0 Ų012.7 Ų12.70%07%0.068CC..Hα-helixtrans-61.7-44177.6-178.60000111.6Y196 V197 N202 G203 I204 T281 L359 L360 W380Y196-V200 HydrophobicContact CD1-CG2 4.35Å; Y196-V200 HydrophobicContact CE1-CG2 4.04Å; Y196-V200 WeakPolarHBondContact O-CG2 3.43Å; Y196-V200 PolarHBondContact O-N 3.42Å; V197-V200 PolarHBondContact O-N 2.7Å; V200-N202 VanDerWaalsContact C-N 3.28Å; V200-N202 PolarHBondContact O-N 3.35Å; V200-G203 WeakPolarHBondContact O-CA 3.29Å; V200-G203 PolarHBondContact O-N 2.87Å; V200-I204 HydrophobicContact CG1-CD1 4.16Å; V200-I204 PolarHBondContact O-N 2.9Å; V200-T281 HydrophobicContact CG2-CG2 4.49Å; V200-L359 HydrophobicContact CG2-CD2 4.04Å; V200-L359 HydrophobicContact CG2-CG 4.34Å; V200-L360 HydrophobicContact CB-CD2 4.07Å; V200-L360 HydrophobicContact CB-CG 4.39Å; V200-L360 HydrophobicContact CG1-CD1 4.48Å; V200-L360 HydrophobicContact CG1-CD2 4.32Å; V200-L360 HydrophobicContact CG1-CG 4.08Å; V200-L360 HydrophobicContact CG2-CD2 3.9Å; V200-L360 HydrophobicContact CG2-CG 4.36Å; V200-W380 HydrophobicContact CG1-CH2 4.25Å
201H98.2Very high98.3Very high0 Ų010 Ų100%05%0.05CC..Hα-helixtrans-50-49.5172161.7-72.2000111.3S143 M156 V197 K198 M199 G203 I204 E205 W380 C384S143-H201 PolarHBondContact OG-CE1 3.14Å; S143-H201 PolarHBondContact OG-NE2 3.44Å; M156-H201 HydrophobicContact CE-CB 4.34Å; V197-H201 WeakPolarHBondContact O-CB 3.47Å; V197-H201 PolarHBondContact O-N 2.82Å; K198-H201 WeakPolarHBondContact O-CB 3.45Å; K198-H201 PolarHBondContact O-N 3.27Å; M199-H201 PolarHBondContact O-N 2.84Å; H201-G203 VanDerWaalsContact C-N 3.31Å; H201-G203 PolarHBondContact O-N 3.36Å; H201-I204 PolarHBondContact O-N 3.08Å; H201-E205 IonicContact CE1-OE2 2.67Å; H201-E205 PolarHBondContact CE1-OE2 3.32Å; H201-E205 IonicContact ND1-OE2 3.37Å; H201-E205 PolarHBondContact O-N 3.42Å; H201-W380 HydrophobicContact CB-CH2 4.46Å; H201-W380 HydrophobicContact CB-CZ2 3.71Å; H201-C384 WeakPolarHBondContact NE2-CB 3.47Å
202N97.8Very high98.4Very high11 Ų1110 Ų106%0.0595%0.048CC..Hα-helixtrans-69.2-29.4-179.2-75.415.7000112.8K198 M199 V200 E205 Y206 T277K198-N202 WeakPolarHBondContact CE-OD1 3.44Å; K198-N202 PolarHBondContact O-N 3.13Å; K198-N202 PolarHBondContact O-OD1 2.96Å; M199-N202 PolarHBondContact O-N 3.02Å; M199-N202 VanDerWaalsContact O-N 3.13Å; V200-N202 VanDerWaalsContact C-N 3.28Å; V200-N202 PolarHBondContact O-N 3.35Å; N202-E205 WeakPolarHBondContact O-CB 3.35Å; N202-Y206 WeakPolarHBondContact O-CD1 3.33Å; N202-Y206 PolarHBondContact O-N 3.19Å; N202-Y206 VanDerWaalsContact O-N 3.08Å; N202-T277 WeakPolarHBondContact CB-OG1 3.24Å; N202-T277 WeakPolarHBondContact ND2-CB 3.45Å; N202-T277 PolarHBondContact ND2-OG1 3.33Å
203G98.3Very high98.4Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-64.3-47.1171.500000111.5M199 V200 H201 E205 Y206 A207 I295M199-G203 PolarHBondContact O-N 3.44Å; V200-G203 WeakPolarHBondContact O-CA 3.29Å; V200-G203 PolarHBondContact O-N 2.87Å; H201-G203 VanDerWaalsContact C-N 3.31Å; H201-G203 PolarHBondContact O-N 3.36Å; G203-E205 VanDerWaalsContact C-N 3.32Å; G203-E205 PolarHBondContact O-N 3Å; G203-Y206 WeakPolarHBondContact O-CB 3.33Å; G203-Y206 PolarHBondContact O-N 2.9Å; G203-Y206 VanDerWaalsContact O-N 3.14Å; G203-A207 PolarHBondContact O-N 3.31Å; G203-A207 VanDerWaalsContact O-N 3.16Å; G203-I295 WeakPolarHBondContact O-CG1 3.34Å
204I98.6Very high98.5Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-61.3-42.1174.8-65.2170000110.6V200 H201 Y206 A207 D208 I295 Y353 W380 I386V200-I204 HydrophobicContact CG1-CD1 4.16Å; V200-I204 PolarHBondContact O-N 2.9Å; H201-I204 PolarHBondContact O-N 3.08Å; I204-Y206 VanDerWaalsContact C-N 3.26Å; I204-Y206 PolarHBondContact O-N 3.35Å; I204-A207 PolarHBondContact O-N 3.07Å; I204-D208 PolarHBondContact O-N 3.49Å; I204-I295 HydrophobicContact CG1-CD1 4.32Å; I204-Y353 HydrophobicContact CD1-CD1 4.32Å; I204-Y353 HydrophobicContact CG2-CD1 4.24Å; I204-Y353 HydrophobicContact CG2-CD2 3.83Å; I204-Y353 HydrophobicContact CG2-CE1 3.92Å; I204-Y353 HydrophobicContact CG2-CE2 3.49Å; I204-Y353 VanDerWaalsContact CG2-CE2 3.49Å; I204-Y353 HydrophobicContact CG2-CG 4.23Å; I204-W380 HydrophobicContact CD1-CH2 3.95Å; I204-W380 HydrophobicContact CD1-CZ3 3.64Å; I204-I386 HydrophobicContact CB-CD1 4.33Å; I204-I386 HydrophobicContact CG2-CD1 4.01Å; I204-I386 HydrophobicContact CG2-CG2 4.48Å
205E98.4Very high98.5Very high32 Ų3212.1 Ų12.115%0.157%0.065CC..Hα-helixtrans-55-41.9174.2-174.3-172.1116.500111.6H201 N202 G203 D208 M209 I385 I386H201-E205 IonicContact CE1-OE2 2.67Å; H201-E205 PolarHBondContact CE1-OE2 3.32Å; H201-E205 IonicContact ND1-OE2 3.37Å; H201-E205 PolarHBondContact O-N 3.42Å; N202-E205 WeakPolarHBondContact O-CB 3.35Å; G203-E205 VanDerWaalsContact C-N 3.32Å; G203-E205 PolarHBondContact O-N 3Å; E205-D208 PolarHBondContact O-N 3.26Å; E205-M209 HydrophobicContact CG-SD 4.2Å; E205-M209 WeakPolarHBondContact O-CB 3.27Å; E205-M209 VanDerWaalsContact O-CG 3.24Å; E205-M209 WeakPolarHBondContact O-CG 3.12Å; E205-M209 PolarHBondContact O-N 3.07Å; E205-I385 HydrophobicContact CG-CB 4.3Å; E205-I385 HydrophobicContact CG-CG2 3.85Å; E205-I385 WeakPolarHBondContact OE2-CB 3.17Å; E205-I386 HydrophobicContact CB-CG2 3.64Å; E205-I386 HydrophobicContact CG-CG2 4.16Å
206Y98.6Very high98.5Very high12 Ų1214.7 Ų14.75%0.0478%0.075CC..Hα-helixtrans-65.7-44.3179.4-81.531.5000111.3N202 G203 I204 M209 E210 Q274 K275 V299 R302N202-Y206 WeakPolarHBondContact O-CD1 3.33Å; N202-Y206 PolarHBondContact O-N 3.19Å; N202-Y206 VanDerWaalsContact O-N 3.08Å; G203-Y206 WeakPolarHBondContact O-CB 3.33Å; G203-Y206 PolarHBondContact O-N 2.9Å; G203-Y206 VanDerWaalsContact O-N 3.14Å; I204-Y206 VanDerWaalsContact C-N 3.26Å; I204-Y206 PolarHBondContact O-N 3.35Å; Y206-M209 PolarHBondContact O-N 3.19Å; Y206-E210 WeakPolarHBondContact O-CB 3.35Å; Y206-E210 PolarHBondContact O-N 2.92Å; Y206-Q274 HydrophobicContact CE2-CB 3.93Å; Y206-Q274 WeakPolarHBondContact OH-CB 3.23Å; Y206-K275 PolarHBondContact OH-N 3.25Å; Y206-V299 HydrophobicContact CD2-CG2 4.09Å; Y206-R302 VanDerWaalsContact CD2-NE 3.31Å; Y206-R302 VanDerWaalsContact CG-NH2 3.31Å
207A98.7Very high98.5Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-64.2-42.9176.400000112.1G203 I204 M209 E210 L211 L294 I295 A298 S352G203-A207 PolarHBondContact O-N 3.31Å; G203-A207 VanDerWaalsContact O-N 3.16Å; I204-A207 PolarHBondContact O-N 3.07Å; A207-M209 PolarHBondContact O-N 3.01Å; A207-E210 PolarHBondContact O-N 3.46Å; A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.36Å; A207-L211 PolarHBondContact O-N 3.38Å; A207-L294 HydrophobicContact CB-CB 4.22Å; A207-I295 HydrophobicContact CB-CG1 4.23Å; A207-A298 HydrophobicContact CB-CB 4.49Å; A207-S352 VanDerWaalsContact CB-OG 3.23Å; A207-S352 WeakPolarHBondContact CB-OG 3.34Å
208D98.7Very high98.5Very high4 Ų417.4 Ų17.42%0.0219%0.088CC..Hα-helixtrans-60.5-46.2176.5-87.5-6.6000111.9I204 E205 E210 L211 I212 L246 K349 Y353I204-D208 PolarHBondContact O-N 3.49Å; E205-D208 PolarHBondContact O-N 3.26Å; D208-E210 VanDerWaalsContact C-N 3.34Å; D208-E210 PolarHBondContact O-N 3.25Å; D208-L211 PolarHBondContact O-N 3.07Å; D208-I212 WeakPolarHBondContact O-CD1 3.29Å; D208-I212 VanDerWaalsContact O-CG1 3.24Å; D208-I212 WeakPolarHBondContact O-CG1 3.42Å; D208-I212 PolarHBondContact O-N 3.26Å; D208-L246 HydrophobicContact CB-CD1 3.63Å; D208-K349 IonicContact OD1-NZ 3.29Å; D208-K349 PolarHBondContact OD1-NZ 3.27Å; D208-K349 IonicContact OD2-NZ 3.83Å; D208-K349 PolarHBondContact OD2-NZ 2.78Å; D208-Y353 PolarHBondContact OD2-OH 2.97Å
209M98.8Very high98.5Very high77 Ų7716.9 Ų16.938%0.3799%0.085SC..Hα-helixtrans-61-43177-71.1173.469.700111.8E205 Y206 A207 I212 A213 L246 R302E205-M209 HydrophobicContact CG-SD 4.2Å; E205-M209 WeakPolarHBondContact O-CB 3.27Å; E205-M209 VanDerWaalsContact O-CG 3.24Å; E205-M209 WeakPolarHBondContact O-CG 3.12Å; E205-M209 PolarHBondContact O-N 3.07Å; Y206-M209 PolarHBondContact O-N 3.19Å; A207-M209 PolarHBondContact O-N 3.01Å; M209-I212 PolarHBondContact O-N 3.3Å; M209-A213 WeakPolarHBondContact O-CB 3.45Å; M209-A213 PolarHBondContact O-N 3.34Å; M209-L246 HydrophobicContact CG-CD1 4.24Å; M209-L246 HydrophobicContact CG-CD2 4.24Å; M209-R302 PolarHBondContact SD-NH2 3.36Å; M209-R302 VanDerWaalsContact SD-NH2 3.37Å
210E98.9Very high98.5Very high38 Ų3818.1 Ų18.118%0.1789%0.089CC..Hα-helixtrans-68.9-42.1-179.3-170.165.5-164.500111.5Y206 A207 D208 I212 A213 E214 A298 S301 V440Y206-E210 WeakPolarHBondContact O-CB 3.35Å; Y206-E210 PolarHBondContact O-N 2.92Å; A207-E210 PolarHBondContact O-N 3.46Å; D208-E210 VanDerWaalsContact C-N 3.34Å; D208-E210 PolarHBondContact O-N 3.25Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 3.23Å; E210-A213 CarbonylContact O-C 3.58Å; E210-A213 WeakPolarHBondContact O-CA 3.41Å; E210-A213 WeakPolarHBondContact O-CB 3.48Å; E210-A213 PolarHBondContact O-N 2.89Å; E210-A213 VanDerWaalsContact O-N 3.09Å; E210-E214 WeakPolarHBondContact O-CG 3.32Å; E210-E214 PolarHBondContact O-N 3.07Å; E210-A298 HydrophobicContact CB-CB 3.82Å; E210-A298 HydrophobicContact CG-CB 4.26Å; E210-S301 WeakPolarHBondContact OE1-CB 3.25Å; E210-S301 PolarHBondContact OE1-OG 2.91Å; E210-V440 HydrophobicContact CB-CG2 3.91Å; E210-V440 HydrophobicContact CG-CB 4.36Å; E210-V440 HydrophobicContact CG-CG2 3.34Å
211L98.9Very high98.3Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-59-40.4174.1-72.8171.4000112.2A207 D208 E214 A215 L294 L345 S348 K349 V440 F441A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.36Å; A207-L211 PolarHBondContact O-N 3.38Å; D208-L211 PolarHBondContact O-N 3.07Å; L211-E214 PolarHBondContact O-N 2.77Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 2.95Å; L211-L294 HydrophobicContact CD1-CD2 4.48Å; L211-L345 HydrophobicContact CB-CD1 3.6Å; L211-S348 VanDerWaalsContact CD2-CB 3.46Å; L211-K349 HydrophobicContact CD1-CB 4.38Å; L211-V440 HydrophobicContact CD1-CG1 4.47Å; L211-V440 HydrophobicContact CD2-CB 3.9Å; L211-V440 HydrophobicContact CD2-CG1 3.54Å; L211-V440 HydrophobicContact CG-CB 4.34Å; L211-V440 HydrophobicContact CG-CG1 3.74Å; L211-F441 HydrophobicContact CB-CE1 4.35Å; L211-F441 HydrophobicContact CD2-CD1 3.38Å; L211-F441 HydrophobicContact CD2-CE1 3.44Å; L211-F441 VanDerWaalsContact CD2-CE1 3.44Å; L211-F441 HydrophobicContact CD2-CG 4.31Å; L211-F441 HydrophobicContact CD2-CZ 4.42Å; L211-F441 HydrophobicContact CG-CE1 4.49Å; L211-F441 WeakPolarHBondContact O-CZ 3.44Å
212I98.9Very high98.1Very high15 Ų1526 Ų268%0.07712%0.121CC..Hα-helixtrans-66.2-40.7175.2-70167.7000110.7D208 M209 E210 A215 Y216 F234 L246 I247 T250 L345D208-I212 WeakPolarHBondContact O-CD1 3.29Å; D208-I212 VanDerWaalsContact O-CG1 3.24Å; D208-I212 WeakPolarHBondContact O-CG1 3.42Å; D208-I212 PolarHBondContact O-N 3.26Å; M209-I212 PolarHBondContact O-N 3.3Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 3.23Å; I212-A215 PolarHBondContact O-N 3.46Å; I212-Y216 PolarHBondContact O-N 3.34Å; I212-F234 HydrophobicContact CG2-CE1 3.8Å; I212-F234 HydrophobicContact CG2-CZ 3.9Å; I212-L246 HydrophobicContact CD1-CB 3.6Å; I212-I247 HydrophobicContact CD1-CD1 3.72Å; I212-I247 HydrophobicContact CD1-CG1 4.22Å; I212-I247 HydrophobicContact CG1-CD1 3.72Å; I212-T250 HydrophobicContact CG2-CG2 3.79Å; I212-T250 WeakPolarHBondContact CG2-OG1 3.46Å; I212-L345 HydrophobicContact CG1-CD1 4.4Å
213A98.9Very high98Very high41 Ų4125.8 Ų25.834%0.33912%0.122SC..Hα-helixtrans-64.3-41.1176.200000112.1M209 E210 Y216 H217M209-A213 WeakPolarHBondContact O-CB 3.45Å; M209-A213 PolarHBondContact O-N 3.34Å; E210-A213 CarbonylContact O-C 3.58Å; E210-A213 WeakPolarHBondContact O-CA 3.41Å; E210-A213 WeakPolarHBondContact O-CB 3.48Å; E210-A213 PolarHBondContact O-N 2.89Å; E210-A213 VanDerWaalsContact O-N 3.09Å; A213-Y216 WeakPolarHBondContact O-CB 3.37Å; A213-Y216 PolarHBondContact O-N 3.13Å; A213-H217 WeakPolarHBondContact O-CB 3.22Å; A213-H217 PolarHBondContact O-N 3.21Å
214E98.9Very high97.9Very high4 Ų431.6 Ų31.62%0.01915%0.153CC..Hα-helixtrans-63.9-42.6174-72.3-178.7-152.500111.8E210 L211 Y216 H217 L218 T438 P439 V440 F441E210-E214 WeakPolarHBondContact O-CG 3.32Å; E210-E214 PolarHBondContact O-N 3.07Å; L211-E214 PolarHBondContact O-N 2.77Å; E214-Y216 VanDerWaalsContact C-N 3.33Å; E214-Y216 PolarHBondContact O-N 2.9Å; E214-H217 WeakPolarHBondContact O-CB 3.35Å; E214-H217 PolarHBondContact O-N 3.47Å; E214-L218 WeakPolarHBondContact O-CG 3.44Å; E214-L218 PolarHBondContact O-N 3.47Å; E214-T438 VanDerWaalsContact CD-CA 3.5Å; E214-T438 WeakPolarHBondContact OE2-CA 3.33Å; E214-T438 WeakPolarHBondContact OE2-CB 3.38Å; E214-P439 WeakPolarHBondContact OE1-CD 3.22Å; E214-P439 WeakPolarHBondContact OE1-CG 3.46Å; E214-V440 WeakPolarHBondContact OE1-CA 3.35Å; E214-V440 WeakPolarHBondContact OE1-CB 3.49Å; E214-V440 WeakPolarHBondContact OE1-CG2 2.91Å; E214-V440 PolarHBondContact OE1-N 3.27Å; E214-F441 HydrophobicContact CB-CD2 3.78Å; E214-F441 HydrophobicContact CB-CE2 3.5Å; E214-F441 VanDerWaalsContact CB-CE2 3.5Å; E214-F441 HydrophobicContact CB-CZ 4.18Å; E214-F441 WeakPolarHBondContact OE2-CB 3.4Å; E214-F441 WeakPolarHBondContact OE2-CD2 3.36Å; E214-F441 VanDerWaalsContact OE2-CG 3.29Å; E214-F441 WeakPolarHBondContact OE2-CG 3.44Å; E214-F441 PolarHBondContact OE2-N 2.89Å
215A98.9Very high97.8Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-59.4-44.4174.400000111.5L211 I212 L218 L219 F234 W237 I341 L345 F441L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 2.95Å; I212-A215 PolarHBondContact O-N 3.46Å; A215-L218 PolarHBondContact O-N 3.05Å; A215-L219 VanDerWaalsContact O-CG 3.31Å; A215-L219 WeakPolarHBondContact O-CG 3.5Å; A215-L219 PolarHBondContact O-N 3.02Å; A215-F234 HydrophobicContact CB-CZ 4.32Å; A215-W237 HydrophobicContact CB-CH2 4.32Å; A215-W237 HydrophobicContact CB-CZ3 4.11Å; A215-I341 HydrophobicContact CB-CG2 3.58Å; A215-L345 HydrophobicContact CB-CD2 4.22Å; A215-F441 HydrophobicContact CB-CZ 4.22Å
216Y98.7Very high97.7Very high56 Ų5636.4 Ų36.422%0.2218%0.175CC..Hα-helixtrans-57.9-48.8172150.8-113.1000111.9I212 A213 E214 L218 L219 R220 I230 F254I212-Y216 PolarHBondContact O-N 3.34Å; A213-Y216 WeakPolarHBondContact O-CB 3.37Å; A213-Y216 PolarHBondContact O-N 3.13Å; E214-Y216 VanDerWaalsContact C-N 3.33Å; E214-Y216 PolarHBondContact O-N 2.9Å; Y216-L218 VanDerWaalsContact C-N 3.28Å; Y216-L218 PolarHBondContact O-N 3.37Å; Y216-L219 PolarHBondContact O-N 3.32Å; Y216-R220 HydrophobicContact CD2-CB 4.29Å; Y216-R220 HydrophobicContact CE2-CB 3.91Å; Y216-R220 HydrophobicContact CE2-CG 4.33Å; Y216-R220 WeakPolarHBondContact O-CB 3.31Å; Y216-R220 PolarHBondContact O-N 2.9Å; Y216-I230 HydrophobicContact CD2-CD1 3.75Å; Y216-I230 HydrophobicContact CD2-CG2 4.34Å; Y216-I230 HydrophobicContact CE2-CD1 3.89Å; Y216-F254 HydrophobicContact CD1-CZ 4.31Å; Y216-F254 AromaticContact CD2-CE1 3.62Å; Y216-F254 HydrophobicContact CD2-CE1 3.62Å; Y216-F254 HydrophobicContact CD2-CE2 4.13Å; Y216-F254 AromaticContact CD2-CZ 3.17Å; Y216-F254 HydrophobicContact CD2-CZ 3.17Å; Y216-F254 AromaticContact CE2-CE1 3.52Å; Y216-F254 HydrophobicContact CE2-CE1 3.52Å; Y216-F254 AromaticContact CE2-CZ 3.55Å; Y216-F254 HydrophobicContact CE2-CZ 3.55Å; Y216-F254 HydrophobicContact CG-CE1 4.42Å; Y216-F254 HydrophobicContact CG-CE2 4.37Å; Y216-F254 AromaticContact CG-CZ 3.59Å; Y216-F254 HydrophobicContact CG-CZ 3.59Å
217H98.1Very high97.7Very high57 Ų5736 Ų3626%0.26417%0.174SC..Hα-helixtrans-57.7-44.7-178.1-156.9152.4000110.5A213 E214 R220 Y221 I436A213-H217 WeakPolarHBondContact O-CB 3.22Å; A213-H217 PolarHBondContact O-N 3.21Å; E214-H217 WeakPolarHBondContact O-CB 3.35Å; E214-H217 PolarHBondContact O-N 3.47Å; H217-R220 PolarHBondContact O-N 3.05Å; H217-Y221 AromaticContact CD2-CD2 3.14Å; H217-Y221 WeakPolarHBondContact CD2-CD2 3.04Å; H217-Y221 AromaticContact CD2-CE2 3.65Å; H217-Y221 AromaticContact CD2-CG 3.86Å; H217-Y221 AromaticContact NE2-CD2 3.61Å; H217-Y221 AromaticContact NE2-CE2 3.8Å; H217-Y221 WeakPolarHBondContact O-CB 3.35Å; H217-Y221 WeakPolarHBondContact O-CD2 3.47Å; H217-Y221 PolarHBondContact O-N 3.13Å; H217-I436 HydrophobicContact CB-CG2 4.33Å
218L98.4Very high97.6Very high1 Ų140.4 Ų40.41%0.00520%0.197CC..Hα-helixtrans-65.2-48.1176-68.4162.1000112E214 A215 Y216 R220 L222 G223 I341 V427 I436 T438 F441E214-L218 WeakPolarHBondContact O-CG 3.44Å; E214-L218 PolarHBondContact O-N 3.47Å; A215-L218 PolarHBondContact O-N 3.05Å; Y216-L218 VanDerWaalsContact C-N 3.28Å; Y216-L218 PolarHBondContact O-N 3.37Å; L218-R220 VanDerWaalsContact C-N 3.26Å; L218-R220 PolarHBondContact O-N 3.43Å; L218-L222 HydrophobicContact CD2-CD2 4.16Å; L218-L222 WeakPolarHBondContact O-CA 3.4Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 PolarHBondContact O-N 3.07Å; L218-G223 PolarHBondContact O-N 2.91Å; L218-I341 HydrophobicContact CB-CD1 3.65Å; L218-I341 HydrophobicContact CB-CG1 4.21Å; L218-I341 HydrophobicContact CD1-CG1 4.29Å; L218-V427 HydrophobicContact CD1-CG1 3.51Å; L218-I436 HydrophobicContact CD2-CB 4.32Å; L218-I436 HydrophobicContact CD2-CD1 4.2Å; L218-I436 HydrophobicContact CD2-CG2 3.92Å; L218-I436 HydrophobicContact CG-CG2 4.33Å; L218-T438 HydrophobicContact CD1-CG2 4.03Å; L218-T438 HydrophobicContact CD2-CG2 4.18Å; L218-T438 HydrophobicContact CG-CG2 4.24Å; L218-F441 HydrophobicContact CD1-CD2 4.09Å; L218-F441 HydrophobicContact CD1-CE2 3.79Å
219L98.3Very high97.6Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-56.3-43.5177.3-73.5167.9000111.7A215 Y216 G223 D224 F225 I230 V233 F234 W237 T338 I341A215-L219 VanDerWaalsContact O-CG 3.31Å; A215-L219 WeakPolarHBondContact O-CG 3.5Å; A215-L219 PolarHBondContact O-N 3.02Å; Y216-L219 PolarHBondContact O-N 3.32Å; L219-G223 CarbonylContact O-C 3.44Å; L219-G223 VanDerWaalsContact O-CA 3.28Å; L219-G223 WeakPolarHBondContact O-CA 3.46Å; L219-G223 PolarHBondContact O-N 3.24Å; L219-D224 PolarHBondContact O-N 3.1Å; L219-F225 HydrophobicContact CB-CB 4.42Å; L219-F225 HydrophobicContact CD2-CD2 4.32Å; L219-F225 HydrophobicContact CD2-CE2 4.33Å; L219-F225 HydrophobicContact CD2-CG 4.45Å; L219-F225 HydrophobicContact CD2-CZ 4.43Å; L219-F225 WeakPolarHBondContact O-CB 3.41Å; L219-F225 WeakPolarHBondContact O-CD2 3.47Å; L219-F225 PolarHBondContact O-N 3.09Å; L219-F225 VanDerWaalsContact O-N 3.09Å; L219-I230 HydrophobicContact CB-CD1 4.49Å; L219-I230 HydrophobicContact CB-CG1 4.31Å; L219-I230 HydrophobicContact CD1-CG2 4.42Å; L219-V233 HydrophobicContact CD1-CB 4.42Å; L219-V233 HydrophobicContact CD1-CG1 3.86Å; L219-V233 HydrophobicContact CD2-CG1 4.36Å; L219-F234 HydrophobicContact CD1-CE2 4.22Å; L219-W237 HydrophobicContact CD1-CH2 4.02Å; L219-T338 HydrophobicContact CD2-CG2 4.33Å; L219-I341 HydrophobicContact CD2-CD1 3.88Å; L219-I341 HydrophobicContact CG-CD1 3.96Å
220R96.8Very high97.6Very high32 Ų3237.6 Ų37.612%0.12119%0.189CC..Hα-helixtrans-68.9-54.7-178.9175.858.868.5167.412.9112.3Y216 H217 L218 D224 F225 N227 I230Y216-R220 HydrophobicContact CD2-CB 4.29Å; Y216-R220 HydrophobicContact CE2-CB 3.91Å; Y216-R220 HydrophobicContact CE2-CG 4.33Å; Y216-R220 WeakPolarHBondContact O-CB 3.31Å; Y216-R220 PolarHBondContact O-N 2.9Å; H217-R220 PolarHBondContact O-N 3.05Å; L218-R220 VanDerWaalsContact C-N 3.26Å; L218-R220 PolarHBondContact O-N 3.43Å; R220-D224 VanDerWaalsContact O-CA 3.27Å; R220-D224 WeakPolarHBondContact O-CA 3.5Å; R220-D224 PolarHBondContact O-N 3.39Å; R220-F225 WeakPolarHBondContact CD-O 3.49Å; R220-F225 PolarHBondContact NE-O 3.01Å; R220-F225 PolarHBondContact NH1-O 3.37Å; R220-N227 PolarHBondContact NH2-OD1 3.49Å; R220-I230 HydrophobicContact CB-CD1 4.07Å
221Y94.5Very high97.5Very high157 Ų15735.8 Ų35.862%0.61618%0.18SC*.Hα-helixtrans-96.4-22.3-166.1-70-87.9000113.8H217H217-Y221 AromaticContact CD2-CD2 3.14Å; H217-Y221 WeakPolarHBondContact CD2-CD2 3.04Å; H217-Y221 AromaticContact CD2-CE2 3.65Å; H217-Y221 AromaticContact CD2-CG 3.86Å; H217-Y221 AromaticContact NE2-CD2 3.61Å; H217-Y221 AromaticContact NE2-CE2 3.8Å; H217-Y221 WeakPolarHBondContact O-CB 3.35Å; H217-Y221 WeakPolarHBondContact O-CD2 3.47Å; H217-Y221 PolarHBondContact O-N 3.13Å
222L94.6Very high97.5Very high8 Ų840 Ų404%0.04220%0.2CC..THydrogen-bonded Turntrans-97.5-36.9174.5-163.968.4000112L218 F326 C328 L337 H430 N434 I436L218-L222 HydrophobicContact CD2-CD2 4.16Å; L218-L222 WeakPolarHBondContact O-CA 3.4Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 PolarHBondContact O-N 3.07Å; L222-F326 HydrophobicContact CD1-CB 3.5Å; L222-F326 VanDerWaalsContact CD1-CB 3.5Å; L222-F326 HydrophobicContact CD1-CD1 3.56Å; L222-F326 HydrophobicContact CD1-CG 3.75Å; L222-F326 HydrophobicContact CD2-CD1 4.42Å; L222-F326 HydrophobicContact CG-CB 4.45Å; L222-F326 HydrophobicContact CG-CD1 3.59Å; L222-F326 HydrophobicContact CG-CE1 4.08Å; L222-F326 HydrophobicContact CG-CG 4.19Å; L222-C328 WeakPolarHBondContact O-CB 3.3Å; L222-L337 HydrophobicContact CB-CD2 4.15Å; L222-L337 HydrophobicContact CD2-CD1 3.6Å; L222-L337 HydrophobicContact CD2-CD2 4.08Å; L222-L337 HydrophobicContact CG-CD1 4.44Å; L222-L337 HydrophobicContact CG-CD2 4.03Å; L222-H430 HydrophobicContact CD2-CB 3.61Å; L222-N434 HydrophobicContact CD1-CB 3.91Å; L222-I436 HydrophobicContact CB-CD1 3.84Å; L222-I436 HydrophobicContact CD1-CD1 4.22Å
223G95.9Very high97.5Very high8 Ų839.7 Ų39.78%0.08220%0.199CC..THydrogen-bonded Turntrans-97.8-8.6-176.900000115.5L218 L219 F225L218-G223 PolarHBondContact O-N 2.91Å; L219-G223 CarbonylContact O-C 3.44Å; L219-G223 VanDerWaalsContact O-CA 3.28Å; L219-G223 WeakPolarHBondContact O-CA 3.46Å; L219-G223 PolarHBondContact O-N 3.24Å; G223-F225 VanDerWaalsContact O-CD2 3.26Å; G223-F225 WeakPolarHBondContact O-CD2 3.32Å; G223-F225 PolarHBondContact O-N 3.46Å
224D94.7Very high97.5Very high121 Ų12137.8 Ų37.865%0.64718%0.183SC*.  trans54.929.5-174.2-163.128000114.2L219 R220 Q226L219-D224 PolarHBondContact O-N 3.1Å; R220-D224 VanDerWaalsContact O-CA 3.27Å; R220-D224 WeakPolarHBondContact O-CA 3.5Å; R220-D224 PolarHBondContact O-N 3.39Å; D224-Q226 PolarHBondContact O-NE2 3.18Å
225F97Very high97.5Very high37 Ų3743 Ų4316%0.16221%0.206CC..  trans-70.8135178.7-76.7-118000110.3L219 R220 G223 I230 V233 A334 T338L219-F225 HydrophobicContact CB-CB 4.42Å; L219-F225 HydrophobicContact CD2-CD2 4.32Å; L219-F225 HydrophobicContact CD2-CE2 4.33Å; L219-F225 HydrophobicContact CD2-CG 4.45Å; L219-F225 HydrophobicContact CD2-CZ 4.43Å; L219-F225 WeakPolarHBondContact O-CB 3.41Å; L219-F225 WeakPolarHBondContact O-CD2 3.47Å; L219-F225 PolarHBondContact O-N 3.09Å; L219-F225 VanDerWaalsContact O-N 3.09Å; R220-F225 WeakPolarHBondContact CD-O 3.49Å; R220-F225 PolarHBondContact NE-O 3.01Å; R220-F225 PolarHBondContact NH1-O 3.37Å; G223-F225 VanDerWaalsContact O-CD2 3.26Å; G223-F225 WeakPolarHBondContact O-CD2 3.32Å; G223-F225 PolarHBondContact O-N 3.46Å; F225-I230 HydrophobicContact CB-CD1 4.19Å; F225-I230 HydrophobicContact CB-CG1 3.52Å; F225-V233 HydrophobicContact CD1-CG2 4.05Å; F225-V233 HydrophobicContact CE1-CG2 3.69Å; F225-A334 HydrophobicContact CE2-CB 4.06Å; F225-A334 HydrophobicContact CZ-CB 4.07Å; F225-T338 WeakPolarHBondContact CZ-OG1 3.49Å
226Q97Very high97.5Very high97 Ų9747.5 Ų47.545%0.45323%0.227SC..  trans-84.8164.2171.5-56.9-52.9-44.600111.6D224 N228 G229 I230D224-Q226 PolarHBondContact O-NE2 3.18Å; Q226-N228 VanDerWaalsContact C-N 3.29Å; Q226-N228 WeakPolarHBondContact CB-OD1 3.31Å; Q226-N228 PolarHBondContact O-N 3Å; Q226-G229 CarbonylContact O-C 3.53Å; Q226-G229 WeakPolarHBondContact O-CA 3.34Å; Q226-G229 PolarHBondContact O-N 2.92Å; Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 2.88Å
227N98.2Very high97.4Very high4 Ų445.6 Ų45.62%0.02122%0.219CC..Hα-helixtrans-52.4-44.2-172.4-76.9-34.2000113.1R220 G229 I230 A231 F254 Y263 D266R220-N227 PolarHBondContact NH2-OD1 3.49Å; N227-G229 PolarHBondContact O-N 3.42Å; N227-I230 PolarHBondContact O-N 3.06Å; N227-A231 WeakPolarHBondContact O-CB 3.32Å; N227-A231 PolarHBondContact O-N 2.89Å; N227-F254 HydrophobicContact CB-CD1 4.42Å; N227-F254 WeakPolarHBondContact OD1-CD1 3.17Å; N227-Y263 HydrophobicContact CB-CD1 3.82Å; N227-Y263 HydrophobicContact CB-CD2 4Å; N227-Y263 HydrophobicContact CB-CE1 3.87Å; N227-Y263 HydrophobicContact CB-CE2 4.04Å; N227-Y263 HydrophobicContact CB-CG 3.88Å; N227-Y263 WeakPolarHBondContact ND2-CB 3.04Å; N227-Y263 VanDerWaalsContact ND2-CD2 3.28Å; N227-Y263 WeakPolarHBondContact ND2-CD2 3.36Å; N227-D266 PolarHBondContact ND2-OD1 3.16Å; N227-D266 PolarHBondContact ND2-OD2 3.28Å
228N97Very high97.5Very high92 Ų9244.1 Ų44.149%0.49221%0.213SC..Hα-helixtrans-62.1-39.8175.462.5-23000113Q226 Q232Q226-N228 VanDerWaalsContact C-N 3.29Å; Q226-N228 WeakPolarHBondContact CB-OD1 3.31Å; Q226-N228 PolarHBondContact O-N 3Å; N228-Q232 WeakPolarHBondContact O-CB 3.33Å; N228-Q232 PolarHBondContact O-N 3.07Å
229G97.6Very high97.4Very high22 Ų2250.5 Ų50.523%0.22725%0.247CC..Hα-helixtrans-65.7-44.2175.200000111.8Q226 N227 Q232 V233Q226-G229 CarbonylContact O-C 3.53Å; Q226-G229 WeakPolarHBondContact O-CA 3.34Å; Q226-G229 PolarHBondContact O-N 2.92Å; N227-G229 PolarHBondContact O-N 3.42Å; G229-Q232 PolarHBondContact O-N 3.11Å; G229-V233 WeakPolarHBondContact O-CG2 3.3Å; G229-V233 PolarHBondContact O-N 2.94Å
230I98.6Very high97.3Very high0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-62.4-45.4175.8-61.6-179.6000110.2Y216 L219 R220 F225 Q226 N227 Q232 V233 F234 F254Y216-I230 HydrophobicContact CD2-CD1 3.75Å; Y216-I230 HydrophobicContact CD2-CG2 4.34Å; Y216-I230 HydrophobicContact CE2-CD1 3.89Å; L219-I230 HydrophobicContact CB-CD1 4.49Å; L219-I230 HydrophobicContact CB-CG1 4.31Å; L219-I230 HydrophobicContact CD1-CG2 4.42Å; R220-I230 HydrophobicContact CB-CD1 4.07Å; F225-I230 HydrophobicContact CB-CD1 4.19Å; F225-I230 HydrophobicContact CB-CG1 3.52Å; Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 2.88Å; N227-I230 PolarHBondContact O-N 3.06Å; I230-Q232 VanDerWaalsContact C-N 3.3Å; I230-Q232 PolarHBondContact O-N 3.44Å; I230-V233 PolarHBondContact O-N 3.39Å; I230-F234 HydrophobicContact CG2-CD2 3.7Å; I230-F234 HydrophobicContact CG2-CE2 3.65Å; I230-F234 WeakPolarHBondContact O-CD2 3.48Å; I230-F234 PolarHBondContact O-N 3.28Å; I230-F254 HydrophobicContact CB-CD1 4.4Å; I230-F254 HydrophobicContact CB-CD2 4.48Å; I230-F254 HydrophobicContact CB-CG 4.33Å; I230-F254 HydrophobicContact CG2-CD1 4.12Å; I230-F254 HydrophobicContact CG2-CD2 3.59Å; I230-F254 HydrophobicContact CG2-CE1 4.13Å; I230-F254 HydrophobicContact CG2-CE2 3.6Å; I230-F254 HydrophobicContact CG2-CG 3.9Å; I230-F254 HydrophobicContact CG2-CZ 3.91Å
231A98.6Very high97.2Very high0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-58.1-43.7176.100000111.9N227 F234 K235 S251 F254 N255N227-A231 WeakPolarHBondContact O-CB 3.32Å; N227-A231 PolarHBondContact O-N 2.89Å; A231-F234 PolarHBondContact O-N 3.26Å; A231-K235 VanDerWaalsContact O-CB 3.3Å; A231-K235 WeakPolarHBondContact O-CB 3.36Å; A231-K235 PolarHBondContact O-N 3.46Å; A231-S251 PolarHBondContact O-OG 2.94Å; A231-F254 HydrophobicContact CB-CB 3.7Å; A231-N255 WeakPolarHBondContact CB-ND2 3.38Å; A231-N255 WeakPolarHBondContact CB-OD1 3.48Å
232Q98.5Very high97.4Very high88 Ų8845.5 Ų45.541%0.41124%0.242SC..Hα-helixtrans-64.7-40.6178-177.657.332.900112.1N228 G229 I230 K235 E236N228-Q232 WeakPolarHBondContact O-CB 3.33Å; N228-Q232 PolarHBondContact O-N 3.07Å; G229-Q232 PolarHBondContact O-N 3.11Å; I230-Q232 VanDerWaalsContact C-N 3.3Å; I230-Q232 PolarHBondContact O-N 3.44Å; Q232-K235 WeakPolarHBondContact O-CB 3.21Å; Q232-K235 PolarHBondContact O-N 2.82Å; Q232-E236 PolarHBondContact NE2-OE1 3Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.49Å
233V98.6Very high97.5Very high9 Ų948.5 Ų48.56%0.05526%0.256CS..Hα-helixtrans-59.8-50.7174.3168.30000111.2L219 F225 G229 I230 K235 E236 W237 T338L219-V233 HydrophobicContact CD1-CB 4.42Å; L219-V233 HydrophobicContact CD1-CG1 3.86Å; L219-V233 HydrophobicContact CD2-CG1 4.36Å; F225-V233 HydrophobicContact CD1-CG2 4.05Å; F225-V233 HydrophobicContact CE1-CG2 3.69Å; G229-V233 WeakPolarHBondContact O-CG2 3.3Å; G229-V233 PolarHBondContact O-N 2.94Å; I230-V233 PolarHBondContact O-N 3.39Å; V233-K235 VanDerWaalsContact C-N 3.3Å; V233-K235 PolarHBondContact O-N 3.11Å; V233-E236 PolarHBondContact O-N 2.97Å; V233-W237 HydrophobicContact CG1-CD2 3.82Å; V233-W237 HydrophobicContact CG1-CE3 4.29Å; V233-W237 HydrophobicContact CG1-CG 4.41Å; V233-W237 HydrophobicContact CG1-CH2 3.88Å; V233-W237 HydrophobicContact CG1-CZ2 3.39Å; V233-W237 HydrophobicContact CG1-CZ3 4.31Å; V233-W237 VanDerWaalsContact O-CG 3.24Å; V233-W237 PolarHBondContact O-N 3.46Å; V233-T338 HydrophobicContact CB-CG2 4.45Å; V233-T338 HydrophobicContact CG1-CG2 3.59Å; V233-T338 HydrophobicContact CG2-CG2 3.96Å
234F98.8Very high97.6Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-64.3-35.7178.1-80.8-72.8000112.3I212 A215 L219 I230 A231 W237 N238 I247 T250 F254I212-F234 HydrophobicContact CG2-CE1 3.8Å; I212-F234 HydrophobicContact CG2-CZ 3.9Å; A215-F234 HydrophobicContact CB-CZ 4.32Å; L219-F234 HydrophobicContact CD1-CE2 4.22Å; I230-F234 HydrophobicContact CG2-CD2 3.7Å; I230-F234 HydrophobicContact CG2-CE2 3.65Å; I230-F234 WeakPolarHBondContact O-CD2 3.48Å; I230-F234 PolarHBondContact O-N 3.28Å; A231-F234 PolarHBondContact O-N 3.26Å; F234-W237 AromaticContact CD1-CE3 3.71Å; F234-W237 HydrophobicContact CD1-CE3 3.71Å; F234-W237 HydrophobicContact CD1-CZ3 4.05Å; F234-W237 AromaticContact CE1-CE3 3.74Å; F234-W237 HydrophobicContact CE1-CE3 3.74Å; F234-W237 AromaticContact CE1-CZ3 3.63Å; F234-W237 HydrophobicContact CE1-CZ3 3.63Å; F234-W237 HydrophobicContact CG-CE3 4.45Å; F234-W237 HydrophobicContact CZ-CZ3 4.02Å; F234-W237 PolarHBondContact O-N 3.06Å; F234-N238 WeakPolarHBondContact O-CB 3.26Å; F234-N238 PolarHBondContact O-N 3.16Å; F234-I247 HydrophobicContact CD1-CD1 3.83Å; F234-I247 HydrophobicContact CD1-CG2 4.2Å; F234-I247 HydrophobicContact CE1-CD1 3.89Å; F234-I247 WeakPolarHBondContact O-CG2 3.23Å; F234-T250 HydrophobicContact CD1-CG2 3.98Å; F234-T250 HydrophobicContact CD2-CG2 3.68Å; F234-T250 HydrophobicContact CE1-CG2 4.03Å; F234-T250 HydrophobicContact CE2-CG2 3.72Å; F234-T250 HydrophobicContact CG-CG2 3.81Å; F234-T250 HydrophobicContact CZ-CG2 3.9Å; F234-F254 HydrophobicContact CD2-CD2 4.33Å; F234-F254 HydrophobicContact CD2-CE2 4.38Å; F234-F254 HydrophobicContact CE2-CE2 4.14Å
235K98.6Very high97.6Very high115 Ų11544.6 Ų44.650%0.523%0.23SC..Hα-helixtrans-61.3-43.4173.1-174.3178.4180179.80111.9A231 Q232 V233 N238 N239A231-K235 VanDerWaalsContact O-CB 3.3Å; A231-K235 WeakPolarHBondContact O-CB 3.36Å; A231-K235 PolarHBondContact O-N 3.46Å; Q232-K235 WeakPolarHBondContact O-CB 3.21Å; Q232-K235 PolarHBondContact O-N 2.82Å; V233-K235 VanDerWaalsContact C-N 3.3Å; V233-K235 PolarHBondContact O-N 3.11Å; K235-N238 PolarHBondContact O-N 3.31Å; K235-N239 PolarHBondContact O-ND2 3.24Å; K235-N239 VanDerWaalsContact O-ND2 3.16Å
236E98.3Very high97.6Very high94 Ų9443.4 Ų43.444%0.43923%0.225SC..Hα-helixtrans-65-44.8175.9-75.8172.6-160.400111.7Q232 V233 N238 N239Q232-E236 PolarHBondContact NE2-OE1 3Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.49Å; V233-E236 PolarHBondContact O-N 2.97Å; E236-N238 PolarHBondContact O-N 2.93Å; E236-N239 WeakPolarHBondContact O-CB 3.32Å; E236-N239 PolarHBondContact O-N 3.48Å; E236-N239 VanDerWaalsContact O-N 3.08Å
237W98.4Very high97.7Very high15 Ų1539 Ų396%0.05721%0.205CC..Hα-helixtrans-60.4-35.5176.6-67.5-2.3000112.3A215 L219 V233 F234 N239 G240 L242 I247 T338 I341 W342 L345A215-W237 HydrophobicContact CB-CH2 4.32Å; A215-W237 HydrophobicContact CB-CZ3 4.11Å; L219-W237 HydrophobicContact CD1-CH2 4.02Å; V233-W237 HydrophobicContact CG1-CD2 3.82Å; V233-W237 HydrophobicContact CG1-CE3 4.29Å; V233-W237 HydrophobicContact CG1-CG 4.41Å; V233-W237 HydrophobicContact CG1-CH2 3.88Å; V233-W237 HydrophobicContact CG1-CZ2 3.39Å; V233-W237 HydrophobicContact CG1-CZ3 4.31Å; V233-W237 VanDerWaalsContact O-CG 3.24Å; V233-W237 PolarHBondContact O-N 3.46Å; F234-W237 AromaticContact CD1-CE3 3.71Å; F234-W237 HydrophobicContact CD1-CE3 3.71Å; F234-W237 HydrophobicContact CD1-CZ3 4.05Å; F234-W237 AromaticContact CE1-CE3 3.74Å; F234-W237 HydrophobicContact CE1-CE3 3.74Å; F234-W237 AromaticContact CE1-CZ3 3.63Å; F234-W237 HydrophobicContact CE1-CZ3 3.63Å; F234-W237 HydrophobicContact CG-CE3 4.45Å; F234-W237 HydrophobicContact CZ-CZ3 4.02Å; F234-W237 PolarHBondContact O-N 3.06Å; W237-N239 PolarHBondContact O-N 2.63Å; W237-G240 PolarHBondContact O-N 3.45Å; W237-G240 VanDerWaalsContact O-N 3.11Å; W237-L242 HydrophobicContact CB-CD1 4.29Å; W237-L242 HydrophobicContact CD2-CD1 4.42Å; W237-L242 HydrophobicContact CE3-CD1 4.28Å; W237-L242 HydrophobicContact CG-CD1 4.47Å; W237-I247 HydrophobicContact CB-CG2 4.36Å; W237-T338 HydrophobicContact CZ2-CG2 3.78Å; W237-T338 WeakPolarHBondContact CZ2-O 3.37Å; W237-I341 HydrophobicContact CH2-CB 4.19Å; W237-I341 HydrophobicContact CH2-CG2 3.61Å; W237-I341 HydrophobicContact CZ2-CB 4.45Å; W237-I341 HydrophobicContact CZ2-CG2 4.34Å; W237-I341 HydrophobicContact CZ3-CG2 4.5Å; W237-W342 AromaticContact CD1-CD1 3.34Å; W237-W342 AromaticContact CD2-CD1 3.72Å; W237-W342 AromaticContact CE2-CD1 3.75Å; W237-W342 AromaticContact CG-CD1 3.46Å; W237-W342 VanDerWaalsContact CG-CD1 3.46Å; W237-W342 HydrophobicContact CZ2-CB 3.93Å; W237-W342 AromaticContact NE1-CD1 3.49Å; W237-W342 AromaticContact NE1-CG 3.97Å; W237-L345 HydrophobicContact CE3-CD2 3.89Å; W237-L345 HydrophobicContact CZ3-CD2 3.66Å
238N98.4Very high97.7Very high27 Ų2742.2 Ų42.214%0.14422%0.22CC..THydrogen-bonded Turntrans-68.1-16.9177.7-149.844.5000114F234 K235 E236 E243 S244 I247 E248F234-N238 WeakPolarHBondContact O-CB 3.26Å; F234-N238 PolarHBondContact O-N 3.16Å; K235-N238 PolarHBondContact O-N 3.31Å; E236-N238 PolarHBondContact O-N 2.93Å; N238-E243 WeakPolarHBondContact O-CA 3.23Å; N238-E243 VanDerWaalsContact O-CB 3.26Å; N238-E243 WeakPolarHBondContact O-CB 3.27Å; N238-E243 WeakPolarHBondContact O-CG 3.49Å; N238-E243 WeakPolarHBondContact OD1-CA 3.38Å; N238-S244 PolarHBondContact OD1-N 3.36Å; N238-S244 PolarHBondContact OD1-O 3.16Å; N238-S244 VanDerWaalsContact OD1-O 3.05Å; N238-I247 HydrophobicContact CB-CG2 3.71Å; N238-E248 WeakPolarHBondContact ND2-CB 3.46Å
239N97Very high97.7Very high134 Ų13439.9 Ų39.972%0.71721%0.207SC*.THydrogen-bonded Turntrans-83.4-2.2174.9-63.1-43.2000112.8K235 E236 W237K235-N239 PolarHBondContact O-ND2 3.24Å; K235-N239 VanDerWaalsContact O-ND2 3.16Å; E236-N239 WeakPolarHBondContact O-CB 3.32Å; E236-N239 PolarHBondContact O-N 3.48Å; E236-N239 VanDerWaalsContact O-N 3.08Å; W237-N239 PolarHBondContact O-N 2.63Å
240G95.8Very high97.8Very high22 Ų2239.7 Ų39.723%0.22720%0.201CC..THydrogen-bonded Turntrans-119.1-154.4-17300000114.1W237 L242 E243W237-G240 PolarHBondContact O-N 3.45Å; W237-G240 VanDerWaalsContact O-N 3.11Å; G240-L242 PolarHBondContact O-N 3.07Å; G240-E243 VanDerWaalsContact O-CB 3.31Å; G240-E243 WeakPolarHBondContact O-CB 3.43Å; G240-E243 PolarHBondContact O-N 3.2Å
241P96Very high97.8Very high58 Ų5840 Ų4038%0.37720%0.203SC..THydrogen-bonded Turntrans-60-21177.8-25.533.3000115.5E243 W342 Y346P241-E243 VanDerWaalsContact C-N 3.28Å; P241-W342 HydrophobicContact CB-CH2 4.4Å; P241-W342 HydrophobicContact CB-CZ2 3.97Å; P241-W342 HydrophobicContact CG-CH2 4.1Å; P241-W342 HydrophobicContact CG-CZ2 3.79Å; P241-Y346 HydrophobicContact CB-CD1 4.32Å; P241-Y346 HydrophobicContact CB-CE1 3.66Å; P241-Y346 HydrophobicContact CB-CE2 4.27Å; P241-Y346 HydrophobicContact CG-CE1 4.44Å
242L97.6Very high97.8Very high4 Ų445 Ų452%0.02123%0.227CC..THydrogen-bonded Turntrans-84.93.7175.8-73.2-178.1000113.7W237 G240 S244 I247 W342 L345 Y346 K349W237-L242 HydrophobicContact CB-CD1 4.29Å; W237-L242 HydrophobicContact CD2-CD1 4.42Å; W237-L242 HydrophobicContact CE3-CD1 4.28Å; W237-L242 HydrophobicContact CG-CD1 4.47Å; G240-L242 PolarHBondContact O-N 3.07Å; L242-S244 PolarHBondContact O-N 3.42Å; L242-S244 PolarHBondContact O-OG 3.14Å; L242-I247 HydrophobicContact CB-CG1 4.48Å; L242-I247 WeakPolarHBondContact O-CG1 3.49Å; L242-W342 VanDerWaalsContact CD1-CD1 3.41Å; L242-W342 HydrophobicContact CD1-CG 4.24Å; L242-W342 HydrophobicContact CG-CZ2 4.49Å; L242-L345 HydrophobicContact CD1-CB 4.39Å; L242-L345 HydrophobicContact CD1-CD2 3.69Å; L242-L345 HydrophobicContact CD1-CG 3.95Å; L242-L345 HydrophobicContact CD2-CG 4.31Å; L242-Y346 HydrophobicContact CD2-CD2 3.65Å; L242-Y346 HydrophobicContact CD2-CG 4.06Å; L242-Y346 HydrophobicContact CG-CD2 4.47Å; L242-K349 HydrophobicContact CD2-CD 4.41Å
243E97.3Very high97.8Very high72 Ų7244.4 Ų44.434%0.33623%0.225SC..  trans-46.5114.3175-174.7-77.3125.700110.5N238 G240 P241 S388 K389N238-E243 WeakPolarHBondContact O-CA 3.23Å; N238-E243 VanDerWaalsContact O-CB 3.26Å; N238-E243 WeakPolarHBondContact O-CB 3.27Å; N238-E243 WeakPolarHBondContact O-CG 3.49Å; N238-E243 WeakPolarHBondContact OD1-CA 3.38Å; G240-E243 VanDerWaalsContact O-CB 3.31Å; G240-E243 WeakPolarHBondContact O-CB 3.43Å; G240-E243 PolarHBondContact O-N 3.2Å; P241-E243 VanDerWaalsContact C-N 3.28Å; E243-S388 WeakPolarHBondContact O-CA 3.48Å; E243-S388 VanDerWaalsContact O-CB 3.28Å; E243-S388 WeakPolarHBondContact O-CB 3.5Å; E243-K389 HydrophobicContact CB-CB 4.36Å; E243-K389 PolarHBondContact O-N 3.11Å; E243-K389 WeakPolarHBondContact OE2-CB 3.38Å; E243-K389 PolarHBondContact OE2-N 3.45Å
244S96.9Very high97.8Very high3 Ų344.4 Ų44.42%0.02123%0.225CC..BIsolated β-bridgetrans-166157.3-17960.40000111N238 L242 L246 I247 E248 R387N238-S244 PolarHBondContact OD1-N 3.36Å; N238-S244 PolarHBondContact OD1-O 3.16Å; N238-S244 VanDerWaalsContact OD1-O 3.05Å; L242-S244 PolarHBondContact O-N 3.42Å; L242-S244 PolarHBondContact O-OG 3.14Å; S244-L246 VanDerWaalsContact C-N 3.3Å; S244-L246 PolarHBondContact O-N 3.04Å; S244-I247 PolarHBondContact O-N 3.3Å; S244-I247 WeakPolarHBondContact OG-CB 3.34Å; S244-I247 WeakPolarHBondContact OG-CG1 3.45Å; S244-I247 PolarHBondContact OG-N 2.65Å; S244-E248 PolarHBondContact O-N 3.44Å; S244-R387 WeakPolarHBondContact CA-O 3.4Å; S244-R387 WeakPolarHBondContact CB-O 3.47Å
245Y95.6Very high97.7Very high44 Ų4448.3 Ų48.317%0.17325%0.245CC..Hα-helixtrans-58-41.8176.9176-119.5000113.2I247 E248 I249 I385 R387Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.46Å; Y245-E248 WeakPolarHBondContact O-CB 3.5Å; Y245-E248 PolarHBondContact O-N 3.44Å; Y245-I249 HydrophobicContact CD1-CD1 4.44Å; Y245-I249 HydrophobicContact CD2-CG2 3.7Å; Y245-I249 HydrophobicContact CE1-CD1 4Å; Y245-I249 HydrophobicContact CE1-CG2 4.2Å; Y245-I249 HydrophobicContact CE2-CG2 3.27Å; Y245-I249 HydrophobicContact CG-CG2 4.39Å; Y245-I249 WeakPolarHBondContact O-CG1 3.37Å; Y245-I249 WeakPolarHBondContact O-CG2 3.27Å; Y245-I249 PolarHBondContact O-N 3.01Å; Y245-I385 HydrophobicContact CD1-CG2 4.23Å; Y245-I385 HydrophobicContact CE1-CD1 4.03Å; Y245-I385 HydrophobicContact CE1-CG2 4.43Å; Y245-R387 VanDerWaalsContact CB-CZ 3.45Å; Y245-R387 VanDerWaalsContact CE2-NH2 3.31Å; Y245-R387 PolarHBondContact N-O 3.33Å
246L97.8Very high97.7Very high11 Ų1149.2 Ų49.26%0.05825%0.247CC..Hα-helixtrans-65.4-37.7-178.4-72.4176.2000112D208 M209 I212 S244 I249 T250 I385D208-L246 HydrophobicContact CB-CD1 3.63Å; M209-L246 HydrophobicContact CG-CD1 4.24Å; M209-L246 HydrophobicContact CG-CD2 4.24Å; I212-L246 HydrophobicContact CD1-CB 3.6Å; S244-L246 VanDerWaalsContact C-N 3.3Å; S244-L246 PolarHBondContact O-N 3.04Å; L246-I249 HydrophobicContact CD2-CD1 4.03Å; L246-I249 WeakPolarHBondContact O-CG1 3.4Å; L246-T250 VanDerWaalsContact O-CB 3.32Å; L246-T250 WeakPolarHBondContact O-CB 3.4Å; L246-T250 PolarHBondContact O-N 3.08Å; L246-T250 VanDerWaalsContact O-N 3.14Å; L246-T250 PolarHBondContact O-OG1 3.41Å; L246-I385 HydrophobicContact CD1-CG2 4.45Å; L246-I385 HydrophobicContact CD2-CG2 3.71Å; L246-I385 HydrophobicContact CG-CG2 4.14Å
247I98.5Very high97.7Very high4 Ų449.2 Ų49.22%0.02125%0.247CC..Hα-helixtrans-69.6-41.4175.7-65.3-68.5000110.6I212 F234 W237 N238 L242 S244 Y245 T250 S251 L345I212-I247 HydrophobicContact CD1-CD1 3.72Å; I212-I247 HydrophobicContact CD1-CG1 4.22Å; I212-I247 HydrophobicContact CG1-CD1 3.72Å; F234-I247 HydrophobicContact CD1-CD1 3.83Å; F234-I247 HydrophobicContact CD1-CG2 4.2Å; F234-I247 HydrophobicContact CE1-CD1 3.89Å; F234-I247 WeakPolarHBondContact O-CG2 3.23Å; W237-I247 HydrophobicContact CB-CG2 4.36Å; N238-I247 HydrophobicContact CB-CG2 3.71Å; L242-I247 HydrophobicContact CB-CG1 4.48Å; L242-I247 WeakPolarHBondContact O-CG1 3.49Å; S244-I247 PolarHBondContact O-N 3.3Å; S244-I247 WeakPolarHBondContact OG-CB 3.34Å; S244-I247 WeakPolarHBondContact OG-CG1 3.45Å; S244-I247 PolarHBondContact OG-N 2.65Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.46Å; I247-T250 PolarHBondContact O-N 3Å; I247-S251 PolarHBondContact O-N 3.25Å; I247-L345 HydrophobicContact CD1-CD2 4.08Å
248E97.8Very high97.7Very high72 Ų7250 Ų5034%0.33625%0.252SS..Hα-helixtrans-57.3-56.7175.9-173.1-172.7177.700112.1N238 S244 Y245 T250 S251 H252N238-E248 WeakPolarHBondContact ND2-CB 3.46Å; S244-E248 PolarHBondContact O-N 3.44Å; Y245-E248 WeakPolarHBondContact O-CB 3.5Å; Y245-E248 PolarHBondContact O-N 3.44Å; E248-T250 PolarHBondContact O-N 3.5Å; E248-S251 WeakPolarHBondContact O-CB 3.46Å; E248-S251 PolarHBondContact O-N 2.95Å; E248-S251 VanDerWaalsContact O-N 3.16Å; E248-H252 PolarHBondContact O-N 3.5Å; E248-H252 IonicContact OE1-CE1 3.82Å
249I97.6Very high97.6Very high44 Ų4455.5 Ų55.523%0.22629%0.289CS..Hα-helixtrans-65-29.3-178.568.3178000111.6Y245 L246 H252 I253Y245-I249 HydrophobicContact CD1-CD1 4.44Å; Y245-I249 HydrophobicContact CD2-CG2 3.7Å; Y245-I249 HydrophobicContact CE1-CD1 4Å; Y245-I249 HydrophobicContact CE1-CG2 4.2Å; Y245-I249 HydrophobicContact CE2-CG2 3.27Å; Y245-I249 HydrophobicContact CG-CG2 4.39Å; Y245-I249 WeakPolarHBondContact O-CG1 3.37Å; Y245-I249 WeakPolarHBondContact O-CG2 3.27Å; Y245-I249 PolarHBondContact O-N 3.01Å; L246-I249 HydrophobicContact CD2-CD1 4.03Å; L246-I249 WeakPolarHBondContact O-CG1 3.4Å; I249-H252 PolarHBondContact O-N 3.01Å; I249-I253 HydrophobicContact CG1-CD1 4.39Å; I249-I253 WeakPolarHBondContact O-CB 3.44Å; I249-I253 WeakPolarHBondContact O-CD1 3.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.45Å; I249-I253 PolarHBondContact O-N 2.97Å
250T98.8Very high97.6Very high18 Ų1854.9 Ų54.911%0.1129%0.286CS..Hα-helixtrans-62.4-44.6176-62.50000110.7I212 F234 L246 I247 E248 H252 I253 F254I212-T250 HydrophobicContact CG2-CG2 3.79Å; I212-T250 WeakPolarHBondContact CG2-OG1 3.46Å; F234-T250 HydrophobicContact CD1-CG2 3.98Å; F234-T250 HydrophobicContact CD2-CG2 3.68Å; F234-T250 HydrophobicContact CE1-CG2 4.03Å; F234-T250 HydrophobicContact CE2-CG2 3.72Å; F234-T250 HydrophobicContact CG-CG2 3.81Å; F234-T250 HydrophobicContact CZ-CG2 3.9Å; L246-T250 VanDerWaalsContact O-CB 3.32Å; L246-T250 WeakPolarHBondContact O-CB 3.4Å; L246-T250 PolarHBondContact O-N 3.08Å; L246-T250 VanDerWaalsContact O-N 3.14Å; L246-T250 PolarHBondContact O-OG1 3.41Å; I247-T250 PolarHBondContact O-N 3Å; E248-T250 PolarHBondContact O-N 3.5Å; T250-H252 VanDerWaalsContact C-N 3.32Å; T250-H252 PolarHBondContact O-N 2.94Å; T250-I253 PolarHBondContact O-N 3.37Å; T250-F254 HydrophobicContact CG2-CD2 3.83Å; T250-F254 HydrophobicContact CG2-CE2 3.63Å; T250-F254 VanDerWaalsContact O-CD2 3.23Å; T250-F254 WeakPolarHBondContact O-CD2 3.4Å; T250-F254 PolarHBondContact O-N 2.91Å; T250-F254 VanDerWaalsContact O-N 3.11Å
251S98.5Very high97.6Very high6 Ų655.7 Ų55.74%0.04229%0.294CS..Hα-helixtrans-59.1-41.4172.2160.60000112.3A231 I247 E248 N255A231-S251 PolarHBondContact O-OG 2.94Å; I247-S251 PolarHBondContact O-N 3.25Å; E248-S251 WeakPolarHBondContact O-CB 3.46Å; E248-S251 PolarHBondContact O-N 2.95Å; E248-S251 VanDerWaalsContact O-N 3.16Å; S251-N255 PolarHBondContact O-N 2.95Å; S251-N255 PolarHBondContact O-ND2 3.44Å
252H98.3Very high97.7Very high106 Ų10654.5 Ų54.549%0.49129%0.287SS..Hα-helixtrans-66.9-41.5177.3-61.6163000112.4E248 I249 T250 F254 N255 Y256E248-H252 PolarHBondContact O-N 3.5Å; E248-H252 IonicContact OE1-CE1 3.82Å; I249-H252 PolarHBondContact O-N 3.01Å; T250-H252 VanDerWaalsContact C-N 3.32Å; T250-H252 PolarHBondContact O-N 2.94Å; H252-F254 PolarHBondContact O-N 2.94Å; H252-N255 PolarHBondContact O-N 3.32Å; H252-N255 VanDerWaalsContact O-N 3.15Å; H252-Y256 PolarHBondContact O-N 2.92Å; H252-Y256 VanDerWaalsContact O-N 3.15Å
253I98.7Very high97.7Very high75 Ų7557 Ų5739%0.38530%0.297SS..Hα-helixtrans-59.5-47178.5-73.2161.3000110.7I249 T250 N255 Y256 I265I249-I253 HydrophobicContact CG1-CD1 4.39Å; I249-I253 WeakPolarHBondContact O-CB 3.44Å; I249-I253 WeakPolarHBondContact O-CD1 3.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.45Å; I249-I253 PolarHBondContact O-N 2.97Å; T250-I253 PolarHBondContact O-N 3.37Å; I253-N255 PolarHBondContact O-N 3.5Å; I253-Y256 PolarHBondContact O-N 3.39Å; I253-Y256 VanDerWaalsContact O-N 3.13Å; I253-I265 HydrophobicContact CG2-CB 4.3Å; I253-I265 HydrophobicContact CG2-CD1 3.93Å; I253-I265 HydrophobicContact CG2-CG1 4.27Å
254F98.6Very high97.8Very high9 Ų956.6 Ų56.64%0.03930%0.296CS..Hα-helixtrans-68.2-20.2178.8-79.4-66.7000113.8Y216 N227 I230 A231 F234 T250 H252 Y263 I265Y216-F254 HydrophobicContact CD1-CZ 4.31Å; Y216-F254 AromaticContact CD2-CE1 3.62Å; Y216-F254 HydrophobicContact CD2-CE1 3.62Å; Y216-F254 HydrophobicContact CD2-CE2 4.13Å; Y216-F254 AromaticContact CD2-CZ 3.17Å; Y216-F254 HydrophobicContact CD2-CZ 3.17Å; Y216-F254 AromaticContact CE2-CE1 3.52Å; Y216-F254 HydrophobicContact CE2-CE1 3.52Å; Y216-F254 AromaticContact CE2-CZ 3.55Å; Y216-F254 HydrophobicContact CE2-CZ 3.55Å; Y216-F254 HydrophobicContact CG-CE1 4.42Å; Y216-F254 HydrophobicContact CG-CE2 4.37Å; Y216-F254 AromaticContact CG-CZ 3.59Å; Y216-F254 HydrophobicContact CG-CZ 3.59Å; N227-F254 HydrophobicContact CB-CD1 4.42Å; N227-F254 WeakPolarHBondContact OD1-CD1 3.17Å; I230-F254 HydrophobicContact CB-CD1 4.4Å; I230-F254 HydrophobicContact CB-CD2 4.48Å; I230-F254 HydrophobicContact CB-CG 4.33Å; I230-F254 HydrophobicContact CG2-CD1 4.12Å; I230-F254 HydrophobicContact CG2-CD2 3.59Å; I230-F254 HydrophobicContact CG2-CE1 4.13Å; I230-F254 HydrophobicContact CG2-CE2 3.6Å; I230-F254 HydrophobicContact CG2-CG 3.9Å; I230-F254 HydrophobicContact CG2-CZ 3.91Å; A231-F254 HydrophobicContact CB-CB 3.7Å; F234-F254 HydrophobicContact CD2-CD2 4.33Å; F234-F254 HydrophobicContact CD2-CE2 4.38Å; F234-F254 HydrophobicContact CE2-CE2 4.14Å; T250-F254 HydrophobicContact CG2-CD2 3.83Å; T250-F254 HydrophobicContact CG2-CE2 3.63Å; T250-F254 VanDerWaalsContact O-CD2 3.23Å; T250-F254 WeakPolarHBondContact O-CD2 3.4Å; T250-F254 PolarHBondContact O-N 2.91Å; T250-F254 VanDerWaalsContact O-N 3.11Å; H252-F254 PolarHBondContact O-N 2.94Å; F254-Y263 VanDerWaalsContact O-CD1 3.27Å; F254-Y263 WeakPolarHBondContact O-CD1 3.1Å; F254-Y263 VanDerWaalsContact O-CE1 3.31Å; F254-Y263 WeakPolarHBondContact O-CE1 3.45Å; F254-I265 HydrophobicContact CD1-CG1 4.44Å; F254-I265 HydrophobicContact CD1-CG2 3.98Å; F254-I265 HydrophobicContact CE1-CG1 3.99Å; F254-I265 HydrophobicContact CE1-CG2 4.17Å
255N97.9Very high97.8Very high81 Ų8158.4 Ų58.443%0.43331%0.305SS..Hα-helixtrans-88.5-10.8173.9-80.7-43.8000113.7A231 S251 H252 I253 Q257A231-N255 WeakPolarHBondContact CB-ND2 3.38Å; A231-N255 WeakPolarHBondContact CB-OD1 3.48Å; S251-N255 PolarHBondContact O-N 2.95Å; S251-N255 PolarHBondContact O-ND2 3.44Å; H252-N255 PolarHBondContact O-N 3.32Å; H252-N255 VanDerWaalsContact O-N 3.15Å; I253-N255 PolarHBondContact O-N 3.5Å; N255-Q257 PolarHBondContact O-N 2.93Å
256Y98.3Very high97.9Very high134 Ų13460.7 Ų60.753%0.52532%0.32SS..  trans-74.5121.1-175.7-169.1-82000111.4H252 I253 L264H252-Y256 PolarHBondContact O-N 2.92Å; H252-Y256 VanDerWaalsContact O-N 3.15Å; I253-Y256 PolarHBondContact O-N 3.39Å; I253-Y256 VanDerWaalsContact O-N 3.13Å; Y256-L264 HydrophobicContact CD1-CB 3.65Å; Y256-L264 HydrophobicContact CD1-CD2 3.78Å; Y256-L264 HydrophobicContact CD1-CG 4.38Å; Y256-L264 HydrophobicContact CE1-CB 4.17Å; Y256-L264 HydrophobicContact CE1-CD2 3.76Å; Y256-L264 PolarHBondContact O-N 2.89Å
257Q97.9Very high97.9Very high95 Ų9565.4 Ų65.444%0.44434%0.342SS..BIsolated β-bridgetrans-111.4141.9176.1-67.4179.6-34.900110.9N255 G261 S262 Y263N255-Q257 PolarHBondContact O-N 2.93Å; Q257-G261 PolarHBondContact NE2-O 2.92Å; Q257-S262 CarbonylContact C-O 3.55Å; Q257-S262 VanDerWaalsContact CA-O 3.31Å; Q257-S262 WeakPolarHBondContact CA-O 3.16Å; Q257-Y263 HydrophobicContact CG-CD1 3.76Å; Q257-Y263 HydrophobicContact CG-CE1 3.69Å; Q257-Y263 HydrophobicContact CG-CG 4.34Å; Q257-Y263 VanDerWaalsContact NE2-CZ 3.33Å; Q257-Y263 PolarHBondContact NE2-OH 2.99Å
258N97.5Very high97.9Very high31 Ų3170 Ų7017%0.16637%0.366CS..  trans-66.7165167.1-71.5-45.1000111D260 G261 S262 Q267N258-D260 VanDerWaalsContact CB-OD1 3.25Å; N258-D260 WeakPolarHBondContact CB-OD1 3.4Å; N258-D260 PolarHBondContact O-N 3.29Å; N258-G261 PolarHBondContact O-N 3.01Å; N258-S262 PolarHBondContact N-O 2.94Å; N258-S262 PolarHBondContact ND2-OG 3.31Å; N258-Q267 VanDerWaalsContact ND2-CD 3.35Å; N258-Q267 PolarHBondContact ND2-NE2 3.47Å; N258-Q267 PolarHBondContact ND2-OE1 3.1Å
259P97.7Very high97.9Very high143 Ų14371.4 Ų71.493%0.92938%0.375SS*.THydrogen-bonded Turntrans-56.1-23.1175.7-27.636.1000115.2G261P259-G261 VanDerWaalsContact C-N 3.33Å
260D96.8Very high97.9Very high121 Ų12173.3 Ų73.365%0.64739%0.386SS*.THydrogen-bonded Turntrans-86.4-0.2176.968.3-1.1000113.9N258 S262N258-D260 VanDerWaalsContact CB-OD1 3.25Å; N258-D260 WeakPolarHBondContact CB-OD1 3.4Å; N258-D260 PolarHBondContact O-N 3.29Å; D260-S262 VanDerWaalsContact C-N 3.34Å; D260-S262 VanDerWaalsContact OD1-CB 3.27Å; D260-S262 WeakPolarHBondContact OD1-CB 3.45Å; D260-S262 PolarHBondContact OD1-N 2.96Å; D260-S262 PolarHBondContact OD1-OG 3.13Å; D260-S262 PolarHBondContact OD2-OG 2.64Å
261G96.5Very high97.8Very high38 Ų3874.5 Ų74.539%0.39240%0.397SS..SBendtrans85.9-5.6-178.300000115.1Q257 N258 P259Q257-G261 PolarHBondContact NE2-O 2.92Å; N258-G261 PolarHBondContact O-N 3.01Å; P259-G261 VanDerWaalsContact C-N 3.33Å
262S97.2Very high97.8Very high33 Ų3376.1 Ų76.123%0.23141%0.411CS..  trans-70147.517365.80000111.1Q257 N258 D260 Q267Q257-S262 CarbonylContact C-O 3.55Å; Q257-S262 VanDerWaalsContact CA-O 3.31Å; Q257-S262 WeakPolarHBondContact CA-O 3.16Å; N258-S262 PolarHBondContact N-O 2.94Å; N258-S262 PolarHBondContact ND2-OG 3.31Å; D260-S262 VanDerWaalsContact C-N 3.34Å; D260-S262 VanDerWaalsContact OD1-CB 3.27Å; D260-S262 WeakPolarHBondContact OD1-CB 3.45Å; D260-S262 PolarHBondContact OD1-N 2.96Å; D260-S262 PolarHBondContact OD1-OG 3.13Å; D260-S262 PolarHBondContact OD2-OG 2.64Å; S262-Q267 PolarHBondContact OG-NE2 2.94Å
263Y98.1Very high97.6Very high57 Ų5773.9 Ų73.922%0.22442%0.417CS..BIsolated β-bridgetrans-78.8127.7175.6-70.9-83.1000110.3N227 F254 Q257 I265 D266N227-Y263 HydrophobicContact CB-CD1 3.82Å; N227-Y263 HydrophobicContact CB-CD2 4Å; N227-Y263 HydrophobicContact CB-CE1 3.87Å; N227-Y263 HydrophobicContact CB-CE2 4.04Å; N227-Y263 HydrophobicContact CB-CG 3.88Å; N227-Y263 WeakPolarHBondContact ND2-CB 3.04Å; N227-Y263 VanDerWaalsContact ND2-CD2 3.28Å; N227-Y263 WeakPolarHBondContact ND2-CD2 3.36Å; F254-Y263 VanDerWaalsContact O-CD1 3.27Å; F254-Y263 WeakPolarHBondContact O-CD1 3.1Å; F254-Y263 VanDerWaalsContact O-CE1 3.31Å; F254-Y263 WeakPolarHBondContact O-CE1 3.45Å; Q257-Y263 HydrophobicContact CG-CD1 3.76Å; Q257-Y263 HydrophobicContact CG-CE1 3.69Å; Q257-Y263 HydrophobicContact CG-CG 4.34Å; Q257-Y263 VanDerWaalsContact NE2-CZ 3.33Å; Q257-Y263 PolarHBondContact NE2-OH 2.99Å; Y263-I265 VanDerWaalsContact C-N 3.28Å; Y263-I265 PolarHBondContact O-N 3.05Å; Y263-D266 PolarHBondContact O-N 2.81Å
264L98.3Very high97.3Very high63 Ų6373.5 Ų73.533%0.3341%0.413SS..G310 helixtrans-63.3-35.9-176.5177.160.6000111.9Y256 D266 Q267 I268Y256-L264 HydrophobicContact CD1-CB 3.65Å; Y256-L264 HydrophobicContact CD1-CD2 3.78Å; Y256-L264 HydrophobicContact CD1-CG 4.38Å; Y256-L264 HydrophobicContact CE1-CB 4.17Å; Y256-L264 HydrophobicContact CE1-CD2 3.76Å; Y256-L264 PolarHBondContact O-N 2.89Å; L264-D266 PolarHBondContact O-N 3.28Å; L264-Q267 WeakPolarHBondContact O-CB 3.09Å; L264-Q267 PolarHBondContact O-N 3.29Å; L264-I268 HydrophobicContact CG-CD1 4.43Å; L264-I268 HydrophobicContact CG-CG1 4.45Å; L264-I268 PolarHBondContact O-N 3.42Å
265I98.1Very high96.7Very high41 Ų4181.9 Ų81.921%0.2145%0.45CS..G310 helixtrans-56.5-34.7-178.4-172.457.7000112.8I253 F254 Y263 Q267 I268I253-I265 HydrophobicContact CG2-CB 4.3Å; I253-I265 HydrophobicContact CG2-CD1 3.93Å; I253-I265 HydrophobicContact CG2-CG1 4.27Å; F254-I265 HydrophobicContact CD1-CG1 4.44Å; F254-I265 HydrophobicContact CD1-CG2 3.98Å; F254-I265 HydrophobicContact CE1-CG1 3.99Å; F254-I265 HydrophobicContact CE1-CG2 4.17Å; Y263-I265 VanDerWaalsContact C-N 3.28Å; Y263-I265 PolarHBondContact O-N 3.05Å; I265-Q267 PolarHBondContact O-N 3.45Å; I265-I268 HydrophobicContact CD1-CD1 4.15Å; I265-I268 PolarHBondContact O-N 2.89Å
266D97.8Very high96.3Very high92 Ų9278.7 Ų78.749%0.49244%0.436SS..G310 helixtrans-75-9.1-179.7-59.8-30.8000112.8N227 Y263 L264N227-D266 PolarHBondContact ND2-OD1 3.16Å; N227-D266 PolarHBondContact ND2-OD2 3.28Å; Y263-D266 PolarHBondContact O-N 2.81Å; L264-D266 PolarHBondContact O-N 3.28Å
267Q97.5Very high95.9Very high111 Ų11172.7 Ų72.752%0.51941%0.413SS..G310 helixtrans-106.7-7.8180-58.6-178.4-4.200112.9N258 S262 L264 I265N258-Q267 VanDerWaalsContact ND2-CD 3.35Å; N258-Q267 PolarHBondContact ND2-NE2 3.47Å; N258-Q267 PolarHBondContact ND2-OE1 3.1Å; S262-Q267 PolarHBondContact OG-NE2 2.94Å; L264-Q267 WeakPolarHBondContact O-CB 3.09Å; L264-Q267 PolarHBondContact O-N 3.29Å; I265-Q267 PolarHBondContact O-N 3.45Å
268I98.1Very high95.8Very high99 Ų9968.1 Ų68.151%0.50839%0.392SS..SBendtrans-74.7132.6179.9-67174.3000109.2L264 I265 D270L264-I268 HydrophobicContact CG-CD1 4.43Å; L264-I268 HydrophobicContact CG-CG1 4.45Å; L264-I268 PolarHBondContact O-N 3.42Å; I265-I268 HydrophobicContact CD1-CD1 4.15Å; I265-I268 PolarHBondContact O-N 2.89Å; I268-D270 PolarHBondContact O-N 3.38Å
269L97.4Very high95.7Very high102 Ų10271.1 Ų71.153%0.53440%0.404SS..  trans-63.9128173.5-176.766.4000110.6A271 R308L269-A271 HydrophobicContact CD2-CB 4.11Å; L269-A271 HydrophobicContact CG-CB 4.06Å; L269-A271 PolarHBondContact O-N 3.38Å; L269-R308 VanDerWaalsContact CD1-NH1 3.31Å
270D97.5Very high95.7Very high85 Ų8567.5 Ų67.546%0.45537%0.371SS..SBendtrans-77.751.1-179.667.8-37.5000112.8I268 S305 R311I268-D270 PolarHBondContact O-N 3.38Å; D270-S305 WeakPolarHBondContact O-CB 3.37Å; D270-R311 VanDerWaalsContact CG-NH2 3.34Å; D270-R311 PolarHBondContact O-NH2 2.93Å; D270-R311 IonicContact OD1-NH2 3.67Å; D270-R311 PolarHBondContact OD1-NH2 3.49Å; D270-R311 IonicContact OD2-CZ 3.66Å; D270-R311 IonicContact OD2-NH1 3.52Å; D270-R311 PolarHBondContact OD2-NH1 3.5Å; D270-R311 IonicContact OD2-NH2 2.8Å; D270-R311 PolarHBondContact OD2-NH2 3.38Å
271A97.6Very high95.7Very high42 Ų4261.7 Ų61.735%0.34734%0.341SS..  trans-127.691.9178.300000110.2L269 G273L269-A271 HydrophobicContact CD2-CB 4.11Å; L269-A271 HydrophobicContact CG-CB 4.06Å; L269-A271 PolarHBondContact O-N 3.38Å; A271-G273 PolarHBondContact O-N 3.46Å
272A98.1Very high95.8Very high40 Ų4060.5 Ų60.533%0.33133%0.327SS..  trans-72.5118.7-173.400000112R302 S305A272-R302 HydrophobicContact CB-CB 4.11Å; A272-R302 HydrophobicContact CB-CG 3.82Å; A272-S305 PolarHBondContact N-OG 2.88Å
273G94.7Very high95.8Very high59 Ų5962.2 Ų62.261%0.60833%0.333SS*.  trans-71159.3171.200000113.1A271 R302A271-G273 PolarHBondContact O-N 3.46Å; G273-R302 PolarHBondContact O-NH1 2.86Å
274Q92.6Very high95.8Very high67 Ų6759.6 Ų59.631%0.31332%0.322SS..  trans-149.2148.417254.9-179.8-34.700111.5Y206Y206-Q274 HydrophobicContact CE2-CB 3.93Å; Y206-Q274 WeakPolarHBondContact OH-CB 3.23Å
275K85.7Confident95.8Very high185 Ų18556.6 Ų56.680%0.80431%0.307SS*.  trans-104.212.1-178.7-66.4-175.3-179.2173.90113.6Y206 T277Y206-K275 PolarHBondContact OH-N 3.25Å; K275-T277 PolarHBondContact O-N 2.91Å
276G88Confident95.7Very high15 Ų1561.4 Ų61.416%0.15533%0.333CS..SBendtrans93.5-23.4173.900000115.8G278 K279 W280G276-G278 PolarHBondContact O-N 3.09Å; G276-K279 WeakPolarHBondContact O-CA 3.49Å; G276-K279 VanDerWaalsContact O-CB 3.32Å; G276-K279 WeakPolarHBondContact O-CB 3.37Å; G276-K279 PolarHBondContact O-N 3.23Å; G276-K279 VanDerWaalsContact O-N 3.1Å; G276-W280 PolarHBondContact O-N 3.28Å
277T91.7Very high95.7Very high7 Ų762.3 Ų62.34%0.04334%0.337CS..Hα-helixtrans-62-41.7-175.653.60000113.7N117 N202 K275 K279 W280 T281N117-T277 HydrophobicContact CB-CG2 3.9Å; N202-T277 WeakPolarHBondContact CB-OG1 3.24Å; N202-T277 WeakPolarHBondContact ND2-CB 3.45Å; N202-T277 PolarHBondContact ND2-OG1 3.33Å; K275-T277 PolarHBondContact O-N 2.91Å; T277-K279 VanDerWaalsContact C-N 3.3Å; T277-K279 PolarHBondContact O-N 3.37Å; T277-W280 HydrophobicContact CG2-CE3 4.02Å; T277-W280 HydrophobicContact CG2-CZ3 3.93Å; T277-W280 PolarHBondContact O-N 3.29Å; T277-T281 PolarHBondContact O-N 2.6Å; T277-T281 VanDerWaalsContact O-N 3.13Å; T277-T281 PolarHBondContact O-OG1 3.18Å; T277-T281 VanDerWaalsContact O-OG1 3.13Å
278G93.9Very high95.6Very high0 Ų059.4 Ų59.40%032%0.324CS..Hα-helixtrans-64.5-36.617600000112.3G276 T281 A282 V299G276-G278 PolarHBondContact O-N 3.09Å; G278-T281 WeakPolarHBondContact O-CB 2.86Å; G278-T281 PolarHBondContact O-N 3.26Å; G278-A282 PolarHBondContact O-N 2.91Å; G278-A282 VanDerWaalsContact O-N 3.14Å; G278-V299 VanDerWaalsContact C-CG2 3.5Å
279K96.7Very high95.4Very high93 Ų9357.7 Ų57.740%0.40433%0.331SS..Hα-helixtrans-62.3-42.4173.5-175.8-17269.6171.20111.2G276 T277 T281 A282 I283 V299G276-K279 WeakPolarHBondContact O-CA 3.49Å; G276-K279 VanDerWaalsContact O-CB 3.32Å; G276-K279 WeakPolarHBondContact O-CB 3.37Å; G276-K279 PolarHBondContact O-N 3.23Å; G276-K279 VanDerWaalsContact O-N 3.1Å; T277-K279 VanDerWaalsContact C-N 3.3Å; T277-K279 PolarHBondContact O-N 3.37Å; K279-T281 VanDerWaalsContact C-N 3.31Å; K279-T281 PolarHBondContact O-N 3.17Å; K279-A282 PolarHBondContact O-N 2.84Å; K279-I283 HydrophobicContact CD-CD1 4.22Å; K279-I283 HydrophobicContact CG-CD1 3.83Å; K279-I283 HydrophobicContact CG-CG1 4.41Å; K279-I283 WeakPolarHBondContact O-CG1 3.2Å; K279-I283 PolarHBondContact O-N 2.74Å; K279-V299 HydrophobicContact CB-CG1 4.31Å
280W97Very high95.4Very high67 Ų6754 Ų5425%0.25431%0.311SS..Hα-helixtrans-62.2-38.7176.5-61.2-32.8000112.1N117 E119 M199 G276 T277 A282 I283 C284N117-W280 WeakPolarHBondContact O-CZ3 3.3Å; E119-W280 HydrophobicContact CB-CH2 4.05Å; E119-W280 HydrophobicContact CB-CZ2 4.28Å; E119-W280 HydrophobicContact CB-CZ3 4.2Å; E119-W280 HydrophobicContact CG-CD2 4.27Å; E119-W280 HydrophobicContact CG-CE3 4.41Å; E119-W280 HydrophobicContact CG-CH2 4.44Å; E119-W280 HydrophobicContact CG-CZ2 4.29Å; E119-W280 HydrophobicContact CG-CZ3 4.49Å; M199-W280 HydrophobicContact CG-CB 3.96Å; M199-W280 HydrophobicContact SD-CB 3.53Å; M199-W280 VanDerWaalsContact SD-CB 3.53Å; G276-W280 PolarHBondContact O-N 3.28Å; T277-W280 HydrophobicContact CG2-CE3 4.02Å; T277-W280 HydrophobicContact CG2-CZ3 3.93Å; T277-W280 PolarHBondContact O-N 3.29Å; W280-A282 PolarHBondContact O-N 2.98Å; W280-I283 PolarHBondContact O-N 2.96Å; W280-C284 WeakPolarHBondContact O-CB 3.41Å; W280-C284 PolarHBondContact O-N 2.87Å
281T98.1Very high95.4Very high0 Ų052.7 Ų52.70%031%0.308CS..Hα-helixtrans-60.7-44.4174-43.60000112M199 V200 T277 G278 K279 C284 G285 I295 L359M199-T281 WeakPolarHBondContact CG-OG1 3.4Å; M199-T281 PolarHBondContact O-OG1 3.32Å; V200-T281 HydrophobicContact CG2-CG2 4.49Å; T277-T281 PolarHBondContact O-N 2.6Å; T277-T281 VanDerWaalsContact O-N 3.13Å; T277-T281 PolarHBondContact O-OG1 3.18Å; T277-T281 VanDerWaalsContact O-OG1 3.13Å; G278-T281 WeakPolarHBondContact O-CB 2.86Å; G278-T281 PolarHBondContact O-N 3.26Å; K279-T281 VanDerWaalsContact C-N 3.31Å; K279-T281 PolarHBondContact O-N 3.17Å; T281-C284 PolarHBondContact O-N 3.05Å; T281-G285 PolarHBondContact O-N 3.31Å; T281-I295 HydrophobicContact CG2-CD1 3.89Å; T281-I295 HydrophobicContact CG2-CG2 4.13Å; T281-L359 HydrophobicContact CG2-CD2 3.66Å
282A98Very high95.4Very high12 Ų1251 Ų5110%0.09929%0.293CS..Hα-helixtrans-64.6-44.5177.700000112.1G278 K279 W280 G285 L286 A296G278-A282 PolarHBondContact O-N 2.91Å; G278-A282 VanDerWaalsContact O-N 3.14Å; K279-A282 PolarHBondContact O-N 2.84Å; W280-A282 PolarHBondContact O-N 2.98Å; A282-G285 PolarHBondContact O-N 3.28Å; A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.21Å; A282-L286 VanDerWaalsContact O-N 3.14Å; A282-A296 HydrophobicContact CB-CB 4.19Å
283I97.8Very high95.5Very high70 Ų7051.1 Ų51.136%0.35929%0.29SS..Hα-helixtrans-61.8-45.9175.8-69.2168.4000110.6K279 W280 G285 L286 D287K279-I283 HydrophobicContact CD-CD1 4.22Å; K279-I283 HydrophobicContact CG-CD1 3.83Å; K279-I283 HydrophobicContact CG-CG1 4.41Å; K279-I283 WeakPolarHBondContact O-CG1 3.2Å; K279-I283 PolarHBondContact O-N 2.74Å; W280-I283 PolarHBondContact O-N 2.96Å; I283-G285 VanDerWaalsContact C-N 3.25Å; I283-G285 PolarHBondContact O-N 3.31Å; I283-L286 CarbonylContact O-C 3.57Å; I283-L286 WeakPolarHBondContact O-CA 3.45Å; I283-L286 WeakPolarHBondContact O-CB 3.27Å; I283-L286 PolarHBondContact O-N 3.14Å; I283-D287 WeakPolarHBondContact CG2-OD2 3.49Å; I283-D287 PolarHBondContact O-N 2.8Å
284C97.2Very high95.7Very high1 Ų148.3 Ų48.31%0.00726%0.261CS..Hα-helixtrans-59.3-37.2177.8-176.30000112.4Y196 M199 W280 T281 H288Y196-C284 VanDerWaalsContact CE2-SG 3.57Å; M199-C284 HydrophobicContact CE-CB 3.74Å; M199-C284 HydrophobicContact SD-CB 4.48Å; W280-C284 WeakPolarHBondContact O-CB 3.41Å; W280-C284 PolarHBondContact O-N 2.87Å; T281-C284 PolarHBondContact O-N 3.05Å; C284-H288 PolarHBondContact O-CD2 2.64Å; C284-H288 PolarHBondContact O-N 2.8Å; C284-H288 VanDerWaalsContact SG-CD2 3.59Å
285G97.6Very high95.9Very high1 Ų145.1 Ų45.11%0.0125%0.246CC..Hα-helixtrans-62.6-43.3172.300000112.4T281 A282 I283 G289 I290T281-G285 PolarHBondContact O-N 3.31Å; A282-G285 PolarHBondContact O-N 3.28Å; I283-G285 VanDerWaalsContact C-N 3.25Å; I283-G285 PolarHBondContact O-N 3.31Å; G285-G289 PolarHBondContact O-N 2.94Å; G285-I290 CarbonylContact C-O 2.9Å; G285-I290 WeakPolarHBondContact CA-O 3.45Å; G285-I290 PolarHBondContact O-N 3.04Å
286L97.2Very high96.6Very high142 Ų14237.5 Ų37.574%0.74322%0.217SC*.Hα-helixtrans-63.9-47.4175.8-65.1168.8000111.8A282 I283 H288 G289A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.21Å; A282-L286 VanDerWaalsContact O-N 3.14Å; I283-L286 CarbonylContact O-C 3.57Å; I283-L286 WeakPolarHBondContact O-CA 3.45Å; I283-L286 WeakPolarHBondContact O-CB 3.27Å; I283-L286 PolarHBondContact O-N 3.14Å; L286-H288 PolarHBondContact O-N 3.33Å; L286-G289 PolarHBondContact O-N 3.42Å
287D96.4Very high97.1Very high110 Ų11040 Ų4059%0.58823%0.225SC*.Hα-helixtrans-61.3-28.6-178.2-69-18.1000112.8I283I283-D287 WeakPolarHBondContact CG2-OD2 3.49Å; I283-D287 PolarHBondContact O-N 2.8Å
288H95.4Very high97.4Very high50 Ų5039.7 Ų39.723%0.23122%0.223CC..THydrogen-bonded Turntrans-110.810.6-178.7-60.4-47.2000114.3C284 L286 I290 Q362 F367C284-H288 PolarHBondContact O-CD2 2.64Å; C284-H288 PolarHBondContact O-N 2.8Å; C284-H288 VanDerWaalsContact SG-CD2 3.59Å; L286-H288 PolarHBondContact O-N 3.33Å; H288-I290 VanDerWaalsContact C-N 3.28Å; H288-I290 HydrophobicContact CB-CG1 4.39Å; H288-I290 PolarHBondContact O-N 2.96Å; H288-Q362 HydrophobicContact CB-CG 3.85Å; H288-F367 AromaticContact CE1-CZ 3.92Å; H288-F367 AromaticContact NE2-CE1 3.99Å; H288-F367 AromaticContact NE2-CZ 3.29Å; H288-F367 VanDerWaalsContact NE2-CZ 3.29Å; H288-F367 WeakPolarHBondContact NE2-CZ 3.36Å
289G95.4Very high97.6Very high64 Ų6439.9 Ų39.966%0.6622%0.224SC*.THydrogen-bonded Turntrans6528.4177.500000114.3G285 L286G285-G289 PolarHBondContact O-N 2.94Å; L286-G289 PolarHBondContact O-N 3.42Å
290I97.4Very high97.7Very high23 Ų2341 Ų4112%0.11823%0.229CC..  trans-103.9118.9178.1-54.2-57.2000110.3G285 H288 V292 M358 L359 Q362G285-I290 CarbonylContact C-O 2.9Å; G285-I290 WeakPolarHBondContact CA-O 3.45Å; G285-I290 PolarHBondContact O-N 3.04Å; H288-I290 VanDerWaalsContact C-N 3.28Å; H288-I290 HydrophobicContact CB-CG1 4.39Å; H288-I290 PolarHBondContact O-N 2.96Å; I290-V292 VanDerWaalsContact C-N 3.34Å; I290-V292 HydrophobicContact CG2-CG1 4.19Å; I290-V292 PolarHBondContact O-N 3.04Å; I290-M358 HydrophobicContact CG2-CB 3.96Å; I290-M358 HydrophobicContact CG2-CE 4.48Å; I290-L359 HydrophobicContact CB-CD1 4.13Å; I290-L359 HydrophobicContact CG1-CD1 4.24Å; I290-L359 HydrophobicContact CG2-CB 4.21Å; I290-L359 HydrophobicContact CG2-CD1 4.44Å; I290-Q362 HydrophobicContact CD1-CB 3.95Å; I290-Q362 HydrophobicContact CD1-CG 3.83Å; I290-Q362 HydrophobicContact CG1-CB 3.77Å; I290-Q362 HydrophobicContact CG1-CG 3.69Å
291P97Very high97.8Very high59 Ų5938.6 Ų38.638%0.38322%0.223SC..  trans-76.477.7-176.132.8-38.9000112.5T293 Q355 M358 F447P291-T293 HydrophobicContact CB-CG2 4.06Å; P291-T293 PolarHBondContact O-N 3.35Å; P291-Q355 VanDerWaalsContact O-CD 3.23Å; P291-Q355 WeakPolarHBondContact O-CG 3.26Å; P291-Q355 PolarHBondContact O-NE2 2.83Å; P291-M358 HydrophobicContact CG-CE 4.29Å; P291-F447 HydrophobicContact CB-CE2 4.37Å; P291-F447 HydrophobicContact CG-CD2 4.39Å; P291-F447 HydrophobicContact CG-CE2 3.79Å
292V98.3Very high97.8Very high6 Ų639.6 Ų39.64%0.03623%0.226CC..  trans-8153.4171.3-65.90000112.1I290 L294 I295 A296 Q355 L359I290-V292 VanDerWaalsContact C-N 3.34Å; I290-V292 HydrophobicContact CG2-CG1 4.19Å; I290-V292 PolarHBondContact O-N 3.04Å; V292-L294 PolarHBondContact O-N 3.37Å; V292-I295 HydrophobicContact CB-CB 4.42Å; V292-I295 HydrophobicContact CB-CD1 4.33Å; V292-I295 PolarHBondContact O-N 3.44Å; V292-A296 PolarHBondContact O-N 3.41Å; V292-Q355 VanDerWaalsContact C-OE1 3.25Å; V292-Q355 HydrophobicContact CG1-CB 4.35Å; V292-L359 HydrophobicContact CG1-CB 3.97Å; V292-L359 HydrophobicContact CG1-CD2 3.98Å; V292-L359 HydrophobicContact CG1-CG 4.47Å
293T98.7Very high97.8Very high43 Ų4342.2 Ų42.226%0.26424%0.237SC..Hα-helixtrans-60.7-38.5-167.367.30000113.4P291 I295 A296 E297 Q355 S443P291-T293 HydrophobicContact CB-CG2 4.06Å; P291-T293 PolarHBondContact O-N 3.35Å; T293-I295 PolarHBondContact O-N 3.26Å; T293-A296 PolarHBondContact O-N 3.1Å; T293-E297 WeakPolarHBondContact O-CG 3.11Å; T293-E297 PolarHBondContact O-N 3.22Å; T293-Q355 PolarHBondContact OG1-NE2 3.09Å; T293-S443 WeakPolarHBondContact CB-OG 3.41Å; T293-S443 PolarHBondContact OG1-OG 3.22Å
294L98.7Very high97.9Very high0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-66.5-40179.8-80.473.3000111.8A207 L211 V292 A296 E297 A298 S348 V351 Q355 V440 A444A207-L294 HydrophobicContact CB-CB 4.22Å; L211-L294 HydrophobicContact CD1-CD2 4.48Å; V292-L294 PolarHBondContact O-N 3.37Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-E297 PolarHBondContact O-N 2.82Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.03Å; L294-S348 VanDerWaalsContact CD2-O 3.27Å; L294-S348 WeakPolarHBondContact CD2-O 3.27Å; L294-V351 HydrophobicContact CD1-CG1 3.71Å; L294-V351 HydrophobicContact CD2-CB 4.46Å; L294-V351 HydrophobicContact CD2-CG1 4.46Å; L294-Q355 VanDerWaalsContact CD1-NE2 3.34Å; L294-Q355 VanDerWaalsContact N-OE1 3.07Å; L294-V440 HydrophobicContact CB-CG1 3.68Å; L294-V440 HydrophobicContact CD2-CG1 3.79Å; L294-V440 HydrophobicContact CG-CG1 3.54Å; L294-A444 HydrophobicContact CD1-CB 3.65Å; L294-A444 HydrophobicContact CD2-CB 3.69Å; L294-A444 HydrophobicContact CG-CB 3.83Å
295I98.6Very high97.9Very high0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-67.8-40.4179.5-59.4177.8000109.6G203 I204 A207 T281 V292 T293 A298 V299G203-I295 WeakPolarHBondContact O-CG1 3.34Å; I204-I295 HydrophobicContact CG1-CD1 4.32Å; A207-I295 HydrophobicContact CB-CG1 4.23Å; T281-I295 HydrophobicContact CG2-CD1 3.89Å; T281-I295 HydrophobicContact CG2-CG2 4.13Å; V292-I295 HydrophobicContact CB-CB 4.42Å; V292-I295 HydrophobicContact CB-CD1 4.33Å; V292-I295 PolarHBondContact O-N 3.44Å; T293-I295 PolarHBondContact O-N 3.26Å; I295-A298 PolarHBondContact O-N 3.16Å; I295-V299 WeakPolarHBondContact O-CG2 3.47Å; I295-V299 PolarHBondContact O-N 3.26Å
296A98.6Very high97.9Very high24 Ų2448.1 Ų48.120%0.19828%0.275CS..Hα-helixtrans-62.2-48.1174.900000111.8A282 V292 T293 L294 A298 V299 F300A282-A296 HydrophobicContact CB-CB 4.19Å; V292-A296 PolarHBondContact O-N 3.41Å; T293-A296 PolarHBondContact O-N 3.1Å; L294-A296 VanDerWaalsContact C-N 3.34Å; A296-A298 VanDerWaalsContact C-N 3.35Å; A296-A298 PolarHBondContact O-N 2.9Å; A296-V299 WeakPolarHBondContact O-CB 3.47Å; A296-V299 PolarHBondContact O-N 3.3Å; A296-V299 VanDerWaalsContact O-N 3.11Å; A296-F300 HydrophobicContact CB-CE2 4.45Å; A296-F300 VanDerWaalsContact O-CD2 3.22Å; A296-F300 WeakPolarHBondContact O-CD2 3.4Å; A296-F300 PolarHBondContact O-N 3.33Å
297E98.8Very high97.9Very high68 Ų6845.8 Ų45.832%0.31826%0.262SS..Hα-helixtrans-60-43.3175.7-72.3-57.6159.700111.8T293 L294 V299 F300 S301 P439 V440T293-E297 WeakPolarHBondContact O-CG 3.11Å; T293-E297 PolarHBondContact O-N 3.22Å; L294-E297 PolarHBondContact O-N 2.82Å; E297-V299 VanDerWaalsContact C-N 3.26Å; E297-V299 PolarHBondContact O-N 2.68Å; E297-F300 CarbonylContact O-C 3.37Å; E297-F300 PolarHBondContact O-N 3.4Å; E297-F300 VanDerWaalsContact O-N 3.07Å; E297-S301 PolarHBondContact O-N 3.4Å; E297-S301 PolarHBondContact O-OG 3.43Å; E297-P439 HydrophobicContact CB-CB 4.36Å; E297-V440 HydrophobicContact CB-CG2 3.92Å
298A98.8Very high97.9Very high0 Ų046.8 Ų46.80%026%0.257CS..Hα-helixtrans-61.7-33.4175.800000112.9A207 E210 L294 I295 A296 R302 V440A207-A298 HydrophobicContact CB-CB 4.49Å; E210-A298 HydrophobicContact CB-CB 3.82Å; E210-A298 HydrophobicContact CG-CB 4.26Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 3.03Å; I295-A298 PolarHBondContact O-N 3.16Å; A296-A298 VanDerWaalsContact C-N 3.35Å; A296-A298 PolarHBondContact O-N 2.9Å; A298-R302 WeakPolarHBondContact O-CG 3.14Å; A298-R302 PolarHBondContact O-N 3.07Å; A298-V440 HydrophobicContact CB-CG2 4.33Å
299V98.7Very high98Very high5 Ų550.1 Ų50.13%0.0328%0.281CS..Hα-helixtrans-69.1-43.5172.5170.60000111Y206 G278 K279 I295 A296 E297 R302 Q303Y206-V299 HydrophobicContact CD2-CG2 4.09Å; G278-V299 VanDerWaalsContact C-CG2 3.5Å; K279-V299 HydrophobicContact CB-CG1 4.31Å; I295-V299 WeakPolarHBondContact O-CG2 3.47Å; I295-V299 PolarHBondContact O-N 3.26Å; A296-V299 WeakPolarHBondContact O-CB 3.47Å; A296-V299 PolarHBondContact O-N 3.3Å; A296-V299 VanDerWaalsContact O-N 3.11Å; E297-V299 VanDerWaalsContact C-N 3.26Å; E297-V299 PolarHBondContact O-N 2.68Å; V299-R302 PolarHBondContact O-N 2.77Å; V299-Q303 WeakPolarHBondContact O-CG 3.42Å; V299-Q303 PolarHBondContact O-N 3.37Å
300F98.6Very high98.1Very high116 Ų11652 Ų5251%0.50928%0.275SS..Hα-helixtrans-67.6-39.4178.3-69.9-50.7000112.7A296 E297 R302 Q303 L304A296-F300 HydrophobicContact CB-CE2 4.45Å; A296-F300 VanDerWaalsContact O-CD2 3.22Å; A296-F300 WeakPolarHBondContact O-CD2 3.4Å; A296-F300 PolarHBondContact O-N 3.33Å; E297-F300 CarbonylContact O-C 3.37Å; E297-F300 PolarHBondContact O-N 3.4Å; E297-F300 VanDerWaalsContact O-N 3.07Å; F300-R302 VanDerWaalsContact C-N 3.29Å; F300-R302 PolarHBondContact O-N 3.28Å; F300-Q303 CarbonylContact O-C 3.53Å; F300-Q303 WeakPolarHBondContact O-CA 3.43Å; F300-Q303 WeakPolarHBondContact O-CB 3.48Å; F300-Q303 PolarHBondContact O-N 2.91Å; F300-L304 PolarHBondContact O-N 3.19Å
301S98.6Very high98.1Very high17 Ų1754.1 Ų54.112%0.11928%0.282CS..Hα-helixtrans-54.5-43.9172.7-76.90000112.1E210 E297 Q303 L304 S305 P439E210-S301 WeakPolarHBondContact OE1-CB 3.25Å; E210-S301 PolarHBondContact OE1-OG 2.91Å; E297-S301 PolarHBondContact O-N 3.4Å; E297-S301 PolarHBondContact O-OG 3.43Å; S301-Q303 VanDerWaalsContact C-N 3.34Å; S301-Q303 PolarHBondContact O-N 2.87Å; S301-L304 PolarHBondContact O-N 3.03Å; S301-S305 PolarHBondContact O-N 3.31Å; S301-P439 WeakPolarHBondContact OG-CG 3.48Å
302R98.6Very high98.1Very high21 Ų2154.7 Ų54.78%0.07929%0.288CS..Hα-helixtrans-62-42.1175.3-67.3-178-171.8-132.21.7112Y206 M209 A272 G273 A298 V299 F300 S305 S306Y206-R302 VanDerWaalsContact CD2-NE 3.31Å; Y206-R302 VanDerWaalsContact CG-NH2 3.31Å; M209-R302 PolarHBondContact SD-NH2 3.36Å; M209-R302 VanDerWaalsContact SD-NH2 3.37Å; A272-R302 HydrophobicContact CB-CB 4.11Å; A272-R302 HydrophobicContact CB-CG 3.82Å; G273-R302 PolarHBondContact O-NH1 2.86Å; A298-R302 WeakPolarHBondContact O-CG 3.14Å; A298-R302 PolarHBondContact O-N 3.07Å; V299-R302 PolarHBondContact O-N 2.77Å; F300-R302 VanDerWaalsContact C-N 3.29Å; F300-R302 PolarHBondContact O-N 3.28Å; R302-S305 PolarHBondContact O-N 2.99Å; R302-S305 PolarHBondContact O-OG 3.02Å; R302-S306 PolarHBondContact O-N 3.33Å; R302-S306 PolarHBondContact O-OG 2.93Å
303Q98Very high98.1Very high67 Ų6760.4 Ų60.431%0.31331%0.314SS..Hα-helixtrans-64.7-43.8177.1-64.9173.4500111.3V299 F300 S301 S305 S306 M307V299-Q303 WeakPolarHBondContact O-CG 3.42Å; V299-Q303 PolarHBondContact O-N 3.37Å; F300-Q303 CarbonylContact O-C 3.53Å; F300-Q303 WeakPolarHBondContact O-CA 3.43Å; F300-Q303 WeakPolarHBondContact O-CB 3.48Å; F300-Q303 PolarHBondContact O-N 2.91Å; S301-Q303 VanDerWaalsContact C-N 3.34Å; S301-Q303 PolarHBondContact O-N 2.87Å; Q303-S305 VanDerWaalsContact C-N 3.34Å; Q303-S305 PolarHBondContact O-N 3.44Å; Q303-S306 WeakPolarHBondContact O-CB 3.39Å; Q303-S306 PolarHBondContact O-N 3.04Å; Q303-S306 VanDerWaalsContact O-N 3.1Å; Q303-M307 PolarHBondContact O-N 2.84Å
304L98.4Very high98Very high100 Ų10059.8 Ų59.852%0.52431%0.313SS..Hα-helixtrans-60.2-42.7175.9-177.962.8000111.6F300 S301 S306 M307 R311F300-L304 PolarHBondContact O-N 3.19Å; S301-L304 PolarHBondContact O-N 3.03Å; L304-S306 PolarHBondContact O-N 3.48Å; L304-M307 HydrophobicContact CD1-SD 4.5Å; L304-M307 WeakPolarHBondContact O-CB 3.37Å; L304-M307 PolarHBondContact O-N 3.41Å; L304-R311 WeakPolarHBondContact O-CD 3.38Å; L304-R311 PolarHBondContact O-NE 3.48Å
305S98.5Very high97.9Very high24 Ų2463.6 Ų63.617%0.16834%0.339CS..Hα-helixtrans-58.8-35.3175.980.90000112D270 A272 S301 R302 Q303 M307 R311D270-S305 WeakPolarHBondContact O-CB 3.37Å; A272-S305 PolarHBondContact N-OG 2.88Å; S301-S305 PolarHBondContact O-N 3.31Å; R302-S305 PolarHBondContact O-N 2.99Å; R302-S305 PolarHBondContact O-OG 3.02Å; Q303-S305 VanDerWaalsContact C-N 3.34Å; Q303-S305 PolarHBondContact O-N 3.44Å; S305-M307 VanDerWaalsContact C-N 3.28Å; S305-M307 PolarHBondContact O-N 3.22Å; S305-R311 PolarHBondContact O-NE 2.81Å; S305-R311 PolarHBondContact O-NH2 2.88Å
306S97.5Very high97.7Very high71 Ų7168.1 Ų68.150%0.49737%0.37SS..Hα-helixtrans-71.8-19.3178.3-59.60000113.4R302 Q303 L304 R308R302-S306 PolarHBondContact O-N 3.33Å; R302-S306 PolarHBondContact O-OG 2.93Å; Q303-S306 WeakPolarHBondContact O-CB 3.39Å; Q303-S306 PolarHBondContact O-N 3.04Å; Q303-S306 VanDerWaalsContact O-N 3.1Å; L304-S306 PolarHBondContact O-N 3.48Å; S306-R308 PolarHBondContact O-N 3.33Å
307M97.7Very high97.7Very high93 Ų9372.1 Ų72.146%0.45839%0.392SS..  trans-79.842.6177.8-61.3177.1-17600112.6Q303 L304 S305 T309 L310 R311Q303-M307 PolarHBondContact O-N 2.84Å; L304-M307 HydrophobicContact CD1-SD 4.5Å; L304-M307 WeakPolarHBondContact O-CB 3.37Å; L304-M307 PolarHBondContact O-N 3.41Å; S305-M307 VanDerWaalsContact C-N 3.28Å; S305-M307 PolarHBondContact O-N 3.22Å; M307-T309 PolarHBondContact O-N 3.49Å; M307-L310 HydrophobicContact CB-CB 4.37Å; M307-L310 PolarHBondContact O-N 3.14Å; M307-L310 VanDerWaalsContact O-N 3.17Å; M307-L310 HydrophobicContact SD-CD2 4.41Å; M307-R311 WeakPolarHBondContact O-CG 3.48Å; M307-R311 PolarHBondContact O-N 2.67Å
308R96Very high97.5Very high132 Ų13274.3 Ų74.350%0.49841%0.406SS..Hα-helixtrans-55.4-47.9-170.2180179.6162.5-157.8-1113.7L269 S306 L310 R311 S312L269-R308 VanDerWaalsContact CD1-NH1 3.31Å; S306-R308 PolarHBondContact O-N 3.33Å; R308-L310 VanDerWaalsContact C-N 3.29Å; R308-L310 PolarHBondContact O-N 3.18Å; R308-R311 PolarHBondContact O-N 2.69Å; R308-R311 VanDerWaalsContact O-N 3.14Å; R308-S312 PolarHBondContact O-N 3.42Å; R308-S312 PolarHBondContact O-OG 3.09Å
309T97.4Very high97.2Very high120 Ų12080.4 Ų80.474%0.73644%0.438SS*.Hα-helixtrans-57.5-45.6-179.6-56.70000111.2M307 S312 E313M307-T309 PolarHBondContact O-N 3.49Å; T309-S312 PolarHBondContact O-N 3.21Å; T309-E313 PolarHBondContact O-N 3.25Å
310L97.7Very high96.6Very high102 Ų10283.9 Ų83.953%0.53446%0.46SS..Hα-helixtrans-64.5-41.8176.917962.2000111.6M307 R308 S312 E313 A314M307-L310 HydrophobicContact CB-CB 4.37Å; M307-L310 PolarHBondContact O-N 3.14Å; M307-L310 VanDerWaalsContact O-N 3.17Å; M307-L310 HydrophobicContact SD-CD2 4.41Å; R308-L310 VanDerWaalsContact C-N 3.29Å; R308-L310 PolarHBondContact O-N 3.18Å; L310-S312 PolarHBondContact O-N 3.42Å; L310-E313 PolarHBondContact O-N 3.36Å; L310-A314 VanDerWaalsContact O-CB 3.27Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.97Å
311R97.6Very high96Very high69 Ų6982.4 Ų82.426%0.2646%0.46SS..Hα-helixtrans-63.1-41176.9-69.2-173.2-64.3107-5.4112.2D270 L304 S305 M307 R308 A314 C315D270-R311 VanDerWaalsContact CG-NH2 3.34Å; D270-R311 PolarHBondContact O-NH2 2.93Å; D270-R311 IonicContact OD1-NH2 3.67Å; D270-R311 PolarHBondContact OD1-NH2 3.49Å; D270-R311 IonicContact OD2-CZ 3.66Å; D270-R311 IonicContact OD2-NH1 3.52Å; D270-R311 PolarHBondContact OD2-NH1 3.5Å; D270-R311 IonicContact OD2-NH2 2.8Å; D270-R311 PolarHBondContact OD2-NH2 3.38Å; L304-R311 WeakPolarHBondContact O-CD 3.38Å; L304-R311 PolarHBondContact O-NE 3.48Å; S305-R311 PolarHBondContact O-NE 2.81Å; S305-R311 PolarHBondContact O-NH2 2.88Å; M307-R311 WeakPolarHBondContact O-CG 3.48Å; M307-R311 PolarHBondContact O-N 2.67Å; R308-R311 PolarHBondContact O-N 2.69Å; R308-R311 VanDerWaalsContact O-N 3.14Å; R311-A314 PolarHBondContact O-N 3.11Å; R311-C315 VanDerWaalsContact O-CB 3.32Å; R311-C315 WeakPolarHBondContact O-CB 3.27Å; R311-C315 PolarHBondContact O-N 2.81Å
312S96.2Very high95.5Very high71 Ų7183.1 Ų83.150%0.49746%0.464SS..Hα-helixtrans-64.4-42.6176.1-63.20000111.9R308 T309 L310 S316R308-S312 PolarHBondContact O-N 3.42Å; R308-S312 PolarHBondContact O-OG 3.09Å; T309-S312 PolarHBondContact O-N 3.21Å; L310-S312 PolarHBondContact O-N 3.42Å; S312-S316 PolarHBondContact O-N 2.89Å
313E97.8Very high94.9Very high125 Ų12589.6 Ų89.658%0.58450%0.501SS*.Hα-helixtrans-62.7-49.7174.1-176.3179.3175.600111.3T309 L310 C315 S316T309-E313 PolarHBondContact O-N 3.25Å; L310-E313 PolarHBondContact O-N 3.36Å; E313-C315 VanDerWaalsContact C-N 3.32Å; E313-C315 PolarHBondContact O-N 3.21Å; E313-S316 WeakPolarHBondContact O-CB 3.48Å; E313-S316 PolarHBondContact O-N 2.88Å; E313-S316 PolarHBondContact O-OG 3.4Å
314A97.4Very high94.5Very high31 Ų3195.4 Ų95.426%0.25653%0.525SS..Hα-helixtrans-57.9-42.7179.600000112.4L310 R311 S316 V317 L318L310-A314 VanDerWaalsContact O-CB 3.27Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.97Å; R311-A314 PolarHBondContact O-N 3.11Å; A314-S316 PolarHBondContact O-N 2.87Å; A314-V317 PolarHBondContact O-N 2.97Å; A314-V317 VanDerWaalsContact O-N 3.13Å; A314-L318 HydrophobicContact CB-CD1 4.03Å; A314-L318 WeakPolarHBondContact O-CB 3.37Å; A314-L318 WeakPolarHBondContact O-CG 3.3Å; A314-L318 PolarHBondContact O-N 3.26Å
315C95.4Very high93.9Very high80 Ų8094.5 Ų94.554%0.54153%0.525SS..Hα-helixtrans-59.4-28.9176.5-174.10000112.9R311 E313R311-C315 VanDerWaalsContact O-CB 3.32Å; R311-C315 WeakPolarHBondContact O-CB 3.27Å; R311-C315 PolarHBondContact O-N 2.81Å; E313-C315 VanDerWaalsContact C-N 3.32Å; E313-C315 PolarHBondContact O-N 3.21Å
316S96Very high93.5Very high94 Ų9496.2 Ų96.266%0.65753%0.529SS*.Hα-helixtrans-79.1-15.9179.474.40000114.5S312 E313 A314S312-S316 PolarHBondContact O-N 2.89Å; E313-S316 WeakPolarHBondContact O-CB 3.48Å; E313-S316 PolarHBondContact O-N 2.88Å; E313-S316 PolarHBondContact O-OG 3.4Å; A314-S316 PolarHBondContact O-N 2.87Å
317V97.2Very high93.1Very high109 Ų10997.2 Ų97.266%0.66154%0.535SS*.Hα-helixtrans-123.3-24.6-173.2-59.30000114.3A314A314-V317 PolarHBondContact O-N 2.97Å; A314-V317 VanDerWaalsContact O-N 3.13Å
318L96.2Very high92.7Very high114 Ų11494.4 Ų94.460%0.59752%0.524SS*.SBendtrans-93.6152.7-179.8-58-178000111A314 T320A314-L318 HydrophobicContact CB-CD1 4.03Å; A314-L318 WeakPolarHBondContact O-CB 3.37Å; A314-L318 WeakPolarHBondContact O-CG 3.3Å; A314-L318 PolarHBondContact O-N 3.26Å; L318-T320 PolarHBondContact O-N 3.48Å
319N91.1Very high92.4Very high127 Ų12792.3 Ų92.368%0.67953%0.53SS*.  trans-69.9118.8171.6-173.618.5000110T321N319-T321 PolarHBondContact ND2-O 2.91Å; N319-T321 VanDerWaalsContact ND2-O 3.09Å; N319-T321 PolarHBondContact OD1-N 3.17Å; N319-T321 VanDerWaalsContact OD1-N 3.17Å; N319-T321 PolarHBondContact OD1-O 3.2Å; N319-T321 VanDerWaalsContact OD1-O 3.12Å
320T87.2Confident92.2Very high79 Ų7988.2 Ų88.249%0.48551%0.506SS..  trans-100.6-8.4-179.257.10000113.3L318L318-T320 PolarHBondContact O-N 3.48Å
321T84.9Confident92Very high85 Ų8588.2 Ų88.252%0.52151%0.512SS..SBendtrans-121.3129.6-169.5-30.40000109.6N319N319-T321 PolarHBondContact ND2-O 2.91Å; N319-T321 VanDerWaalsContact ND2-O 3.09Å; N319-T321 PolarHBondContact OD1-N 3.17Å; N319-T321 VanDerWaalsContact OD1-N 3.17Å; N319-T321 PolarHBondContact OD1-O 3.2Å; N319-T321 VanDerWaalsContact OD1-O 3.12Å
322P88.2Confident91.9Very high31 Ų3191.4 Ų91.420%0.20153%0.53CS..  trans-67.4150.3174.231.5-38.4000110.5K324 P325 L433P322-K324 PolarHBondContact O-N 3.41Å; P322-P325 HydrophobicContact CG-CB 3.84Å; P322-L433 WeakPolarHBondContact CB-O 3.35Å
323D86.3Confident91.9Very high158 Ų15890.7 Ų90.785%0.84552%0.52SS*.SBendtrans-63.2-31.6176.5-65.7-27000112.4
324K89Confident91.8Very high189 Ų18985.5 Ų85.582%0.82250%0.499SS*.SBendtrans-131.578-179.6-66.8-177.4-176.5176.30109.4P322P322-K324 PolarHBondContact O-N 3.41Å
325P87.3Confident91.8Very high80 Ų8089.1 Ų89.152%0.51951%0.508SS..  trans-61.4141.3177.425.4-31.8000109.9P322 C327P322-P325 HydrophobicContact CG-CB 3.84Å; P325-C327 PolarHBondContact O-N 3.2Å
326F90.5Very high91.9Very high61 Ų6191.3 Ų91.327%0.26851%0.509SS..  trans-56.5134.9166.6174.7-93.1000109.3L222 C328 I333 L337 H430 N434L222-F326 HydrophobicContact CD1-CB 3.5Å; L222-F326 VanDerWaalsContact CD1-CB 3.5Å; L222-F326 HydrophobicContact CD1-CD1 3.56Å; L222-F326 HydrophobicContact CD1-CG 3.75Å; L222-F326 HydrophobicContact CD2-CD1 4.42Å; L222-F326 HydrophobicContact CG-CB 4.45Å; L222-F326 HydrophobicContact CG-CD1 3.59Å; L222-F326 HydrophobicContact CG-CE1 4.08Å; L222-F326 HydrophobicContact CG-CG 4.19Å; F326-C328 HydrophobicContact CD1-CB 4.47Å; F326-C328 HydrophobicContact CE1-CB 3.91Å; F326-I333 HydrophobicContact CE1-CG2 4.14Å; F326-I333 HydrophobicContact CE2-CG2 4.37Å; F326-I333 HydrophobicContact CZ-CG2 3.52Å; F326-L337 HydrophobicContact CE1-CD2 4.2Å; F326-H430 AromaticContact CD2-CE1 3.51Å; F326-H430 AromaticContact CD2-ND1 3.79Å; F326-H430 AromaticContact CE2-CE1 3.53Å; F326-N434 VanDerWaalsContact CB-OD1 3.31Å; F326-N434 WeakPolarHBondContact CB-OD1 3.48Å; F326-N434 PolarHBondContact N-OD1 3.25Å
327C87.6Confident92Very high91 Ų9187 Ų8762%0.61548%0.478SS*.  trans-110.8109.2-179.8-170.60000109.2P325 S329P325-C327 PolarHBondContact O-N 3.2Å; C327-S329 PolarHBondContact O-N 3.1Å
328C89.4Confident92Very high35 Ų3582.1 Ų82.124%0.23645%0.449CS..  trans-78.969.5171.7-167.20000110.1L222 F326 A334L222-C328 WeakPolarHBondContact O-CB 3.3Å; F326-C328 HydrophobicContact CD1-CB 4.47Å; F326-C328 HydrophobicContact CE1-CB 3.91Å; C328-A334 VanDerWaalsContact SG-CA 3.5Å; C328-A334 VanDerWaalsContact SG-CB 3.55Å
329S89.5Confident92.1Very high88 Ų8879.7 Ų79.762%0.61544%0.436SS*.  trans-84.7-6.8-166.962.70000115.4C327 I333C327-S329 PolarHBondContact O-N 3.1Å; S329-I333 WeakPolarHBondContact OG-CD1 3.46Å
330S93.9Very high92.5Very high34 Ų3474 Ų7424%0.23841%0.406CS..SBendtrans-148.4157.5-178.389.80000112.8E332 I333 A334S330-E332 WeakPolarHBondContact CB-OE2 2.96Å; S330-E332 PolarHBondContact O-N 3.36Å; S330-E332 PolarHBondContact OG-N 3.1Å; S330-E332 PolarHBondContact OG-OE2 3.18Å; S330-I333 PolarHBondContact O-N 2.87Å; S330-I333 PolarHBondContact OG-N 3.39Å; S330-A334 PolarHBondContact O-N 3.39Å
331P93.4Very high93Very high101 Ų10170.2 Ų70.266%0.65638%0.383SS*.Hα-helixtrans-56.9-34.3174.8-25.835.8000113.7A334 K335P331-A334 PolarHBondContact O-N 3.41Å; P331-K335 WeakPolarHBondContact O-CB 3.42Å; P331-K335 PolarHBondContact O-N 3.22Å
332E95.7Very high93.7Very high136 Ų13668.8 Ų68.864%0.63637%0.368SS*.Hα-helixtrans-67.2-40178.1-57.874.4-159.700111.5S330 K335 K336S330-E332 WeakPolarHBondContact CB-OE2 2.96Å; S330-E332 PolarHBondContact O-N 3.36Å; S330-E332 PolarHBondContact OG-N 3.1Å; S330-E332 PolarHBondContact OG-OE2 3.18Å; E332-K335 PolarHBondContact O-N 3.19Å; E332-K336 WeakPolarHBondContact O-CB 3.44Å; E332-K336 PolarHBondContact O-N 3Å
333I95.5Very high94.2Very high57 Ų5770.3 Ų70.329%0.29237%0.371SS..Hα-helixtrans-66.7-44.9175.3-65.3171.6000109.8F326 S329 S330 K335 K336 L337F326-I333 HydrophobicContact CE1-CG2 4.14Å; F326-I333 HydrophobicContact CE2-CG2 4.37Å; F326-I333 HydrophobicContact CZ-CG2 3.52Å; S329-I333 WeakPolarHBondContact OG-CD1 3.46Å; S330-I333 PolarHBondContact O-N 2.87Å; S330-I333 PolarHBondContact OG-N 3.39Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.48Å; I333-K336 PolarHBondContact O-N 3.39Å; I333-L337 WeakPolarHBondContact O-CB 3.22Å; I333-L337 PolarHBondContact O-N 3.38Å
334A96.2Very high94.8Very high16 Ų1662.8 Ų62.813%0.13233%0.331CS..Hα-helixtrans-59-42.8176.600000111.8F225 C328 S330 P331 L337 T338F225-A334 HydrophobicContact CE2-CB 4.06Å; F225-A334 HydrophobicContact CZ-CB 4.07Å; C328-A334 VanDerWaalsContact SG-CA 3.5Å; C328-A334 VanDerWaalsContact SG-CB 3.55Å; S330-A334 PolarHBondContact O-N 3.39Å; P331-A334 PolarHBondContact O-N 3.41Å; A334-L337 PolarHBondContact O-N 3.04Å; A334-T338 WeakPolarHBondContact O-CB 3.27Å; A334-T338 PolarHBondContact O-N 2.84Å; A334-T338 PolarHBondContact O-OG1 2.85Å
335K97Very high95.3Very high106 Ų10654 Ų5446%0.46129%0.293SS..Hα-helixtrans-63.9-48.4176.9179.952.8177.9158.40111.5P331 E332 I333 L337 T338 D339P331-K335 WeakPolarHBondContact O-CB 3.42Å; P331-K335 PolarHBondContact O-N 3.22Å; E332-K335 PolarHBondContact O-N 3.19Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.48Å; K335-L337 VanDerWaalsContact C-N 3.32Å; K335-L337 PolarHBondContact O-N 3.3Å; K335-T338 WeakPolarHBondContact O-CB 3.48Å; K335-T338 PolarHBondContact O-N 3Å; K335-D339 WeakPolarHBondContact CE-OD1 3.19Å; K335-D339 WeakPolarHBondContact CE-OD2 3.43Å; K335-D339 IonicContact NZ-OD1 2.72Å; K335-D339 PolarHBondContact NZ-OD1 3.19Å; K335-D339 IonicContact NZ-OD2 3.75Å; K335-D339 PolarHBondContact O-N 2.96Å
336K97.4Very high95.8Very high126 Ų12650.6 Ų50.655%0.54827%0.27SS..Hα-helixtrans-60.1-42.2177.1-176.9172.5177.2176.40112E332 I333 D339 D340E332-K336 WeakPolarHBondContact O-CB 3.44Å; E332-K336 PolarHBondContact O-N 3Å; I333-K336 PolarHBondContact O-N 3.39Å; K336-D339 PolarHBondContact O-N 3.41Å; K336-D340 PolarHBondContact O-N 3.43Å
337L97.8Very high96.2Very high4 Ų447.7 Ų47.72%0.02126%0.257CS..Hα-helixtrans-59.7-47.5174.9173.761.4000111.1L222 F326 I333 A334 K335 D339 D340 I341L222-L337 HydrophobicContact CB-CD2 4.15Å; L222-L337 HydrophobicContact CD2-CD1 3.6Å; L222-L337 HydrophobicContact CD2-CD2 4.08Å; L222-L337 HydrophobicContact CG-CD1 4.44Å; L222-L337 HydrophobicContact CG-CD2 4.03Å; F326-L337 HydrophobicContact CE1-CD2 4.2Å; I333-L337 WeakPolarHBondContact O-CB 3.22Å; I333-L337 PolarHBondContact O-N 3.38Å; A334-L337 PolarHBondContact O-N 3.04Å; K335-L337 VanDerWaalsContact C-N 3.32Å; K335-L337 PolarHBondContact O-N 3.3Å; L337-D339 VanDerWaalsContact C-N 3.31Å; L337-D339 PolarHBondContact O-N 3.26Å; L337-D340 PolarHBondContact O-N 3.07Å; L337-I341 HydrophobicContact CD1-CD1 3.85Å; L337-I341 HydrophobicContact CD1-CG1 4.05Å; L337-I341 HydrophobicContact CD2-CD1 4.48Å; L337-I341 HydrophobicContact CG-CD1 3.82Å; L337-I341 HydrophobicContact CG-CG1 4.42Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.19Å; L337-I341 PolarHBondContact O-N 3.45Å
338T98.3Very high96.7Very high6 Ų643.4 Ų43.44%0.03723%0.228CC..Hα-helixtrans-60.4-41.7178.7-55.60000111.6L219 F225 V233 W237 A334 K335 I341 W342L219-T338 HydrophobicContact CD2-CG2 4.33Å; F225-T338 WeakPolarHBondContact CZ-OG1 3.49Å; V233-T338 HydrophobicContact CB-CG2 4.45Å; V233-T338 HydrophobicContact CG1-CG2 3.59Å; V233-T338 HydrophobicContact CG2-CG2 3.96Å; W237-T338 HydrophobicContact CZ2-CG2 3.78Å; W237-T338 WeakPolarHBondContact CZ2-O 3.37Å; A334-T338 WeakPolarHBondContact O-CB 3.27Å; A334-T338 PolarHBondContact O-N 2.84Å; A334-T338 PolarHBondContact O-OG1 2.85Å; K335-T338 WeakPolarHBondContact O-CB 3.48Å; K335-T338 PolarHBondContact O-N 3Å; T338-I341 PolarHBondContact O-N 2.85Å; T338-W342 WeakPolarHBondContact O-CB 3.38Å; T338-W342 PolarHBondContact O-N 3.46Å
339D98.5Very high97.2Very high63 Ų6342.3 Ų42.334%0.33722%0.219SC..Hα-helixtrans-67.1-36.9177.5-67.3-17.2000112K335 K336 L337 W342 K343K335-D339 WeakPolarHBondContact CE-OD1 3.19Å; K335-D339 WeakPolarHBondContact CE-OD2 3.43Å; K335-D339 IonicContact NZ-OD1 2.72Å; K335-D339 PolarHBondContact NZ-OD1 3.19Å; K335-D339 IonicContact NZ-OD2 3.75Å; K335-D339 PolarHBondContact O-N 2.96Å; K336-D339 PolarHBondContact O-N 3.41Å; L337-D339 VanDerWaalsContact C-N 3.31Å; L337-D339 PolarHBondContact O-N 3.26Å; D339-W342 PolarHBondContact O-N 3.4Å; D339-K343 WeakPolarHBondContact O-CG 3.39Å; D339-K343 PolarHBondContact O-N 3.27Å
340D98.7Very high97.6Very high7 Ų738.1 Ų38.14%0.03719%0.19CC..Hα-helixtrans-68.4-42.1175.1-73.7-24.5000111.8K336 L337 W342 K343 A344 G423 R426 V427K336-D340 PolarHBondContact O-N 3.43Å; L337-D340 PolarHBondContact O-N 3.07Å; D340-W342 VanDerWaalsContact C-N 3.33Å; D340-W342 PolarHBondContact O-N 2.98Å; D340-K343 WeakPolarHBondContact O-CB 3.35Å; D340-K343 PolarHBondContact O-N 3.14Å; D340-A344 PolarHBondContact O-N 3.13Å; D340-G423 WeakPolarHBondContact OD1-CA 3.23Å; D340-R426 VanDerWaalsContact CG-NE 3.33Å; D340-R426 IonicContact OD1-CZ 2.78Å; D340-R426 IonicContact OD1-NE 3.46Å; D340-R426 PolarHBondContact OD1-NE 3.19Å; D340-R426 IonicContact OD1-NH2 3.64Å; D340-R426 PolarHBondContact OD1-NH2 3.11Å; D340-R426 IonicContact OD2-CZ 3.23Å; D340-R426 IonicContact OD2-NE 3.42Å; D340-R426 PolarHBondContact OD2-NE 3.42Å; D340-R426 IonicContact OD2-NH2 3.47Å; D340-V427 VanDerWaalsContact C-CG2 3.42Å; D340-V427 HydrophobicContact CB-CG2 3.98Å; D340-V427 WeakPolarHBondContact O-CG2 3.31Å
341I98.9Very high97.8Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-61.7-42.6173.7-62.8167.2000110.4A215 L218 L219 W237 L337 T338 K343 A344 L345 V427A215-I341 HydrophobicContact CB-CG2 3.58Å; L218-I341 HydrophobicContact CB-CD1 3.65Å; L218-I341 HydrophobicContact CB-CG1 4.21Å; L218-I341 HydrophobicContact CD1-CG1 4.29Å; L219-I341 HydrophobicContact CD2-CD1 3.88Å; L219-I341 HydrophobicContact CG-CD1 3.96Å; W237-I341 HydrophobicContact CH2-CB 4.19Å; W237-I341 HydrophobicContact CH2-CG2 3.61Å; W237-I341 HydrophobicContact CZ2-CB 4.45Å; W237-I341 HydrophobicContact CZ2-CG2 4.34Å; W237-I341 HydrophobicContact CZ3-CG2 4.5Å; L337-I341 HydrophobicContact CD1-CD1 3.85Å; L337-I341 HydrophobicContact CD1-CG1 4.05Å; L337-I341 HydrophobicContact CD2-CD1 4.48Å; L337-I341 HydrophobicContact CG-CD1 3.82Å; L337-I341 HydrophobicContact CG-CG1 4.42Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.19Å; L337-I341 PolarHBondContact O-N 3.45Å; T338-I341 PolarHBondContact O-N 2.85Å; I341-K343 VanDerWaalsContact C-N 3.32Å; I341-K343 PolarHBondContact O-N 3.24Å; I341-A344 PolarHBondContact O-N 2.97Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.12Å; I341-L345 PolarHBondContact O-N 3.46Å; I341-V427 HydrophobicContact CB-CG2 4.43Å; I341-V427 HydrophobicContact CG1-CG2 3.98Å
342W98.7Very high98.1Very high55 Ų5531.7 Ų31.721%0.20815%0.148CC..Hα-helixtrans-57.3-45.9175.2-178.387.7000111.8W237 P241 L242 T338 D339 D340 L345 Y346W237-W342 AromaticContact CD1-CD1 3.34Å; W237-W342 AromaticContact CD2-CD1 3.72Å; W237-W342 AromaticContact CE2-CD1 3.75Å; W237-W342 AromaticContact CG-CD1 3.46Å; W237-W342 VanDerWaalsContact CG-CD1 3.46Å; W237-W342 HydrophobicContact CZ2-CB 3.93Å; W237-W342 AromaticContact NE1-CD1 3.49Å; W237-W342 AromaticContact NE1-CG 3.97Å; P241-W342 HydrophobicContact CB-CH2 4.4Å; P241-W342 HydrophobicContact CB-CZ2 3.97Å; P241-W342 HydrophobicContact CG-CH2 4.1Å; P241-W342 HydrophobicContact CG-CZ2 3.79Å; L242-W342 VanDerWaalsContact CD1-CD1 3.41Å; L242-W342 HydrophobicContact CD1-CG 4.24Å; L242-W342 HydrophobicContact CG-CZ2 4.49Å; T338-W342 WeakPolarHBondContact O-CB 3.38Å; T338-W342 PolarHBondContact O-N 3.46Å; D339-W342 PolarHBondContact O-N 3.4Å; D340-W342 VanDerWaalsContact C-N 3.33Å; D340-W342 PolarHBondContact O-N 2.98Å; W342-L345 PolarHBondContact O-N 2.84Å; W342-Y346 AromaticContact CH2-CD1 3.58Å; W342-Y346 HydrophobicContact CH2-CD1 3.58Å; W342-Y346 HydrophobicContact CH2-CE1 4.19Å; W342-Y346 HydrophobicContact CH2-CG 4.34Å; W342-Y346 HydrophobicContact CZ2-CD1 4.05Å; W342-Y346 HydrophobicContact CZ2-CG 4.49Å; W342-Y346 HydrophobicContact CZ3-CD1 4.18Å; W342-Y346 WeakPolarHBondContact O-CB 3.09Å; W342-Y346 PolarHBondContact O-N 3.02Å
343K98.8Very high98.2Very high63 Ų6325.2 Ų25.227%0.27412%0.117SC..Hα-helixtrans-63.1-44.7177.3-74.7177.9174.7-162.10112.1D339 D340 I341 Y346 A347 E419 C420D339-K343 WeakPolarHBondContact O-CG 3.39Å; D339-K343 PolarHBondContact O-N 3.27Å; D340-K343 WeakPolarHBondContact O-CB 3.35Å; D340-K343 PolarHBondContact O-N 3.14Å; I341-K343 VanDerWaalsContact C-N 3.32Å; I341-K343 PolarHBondContact O-N 3.24Å; K343-Y346 PolarHBondContact O-N 3.49Å; K343-A347 VanDerWaalsContact O-CB 3.32Å; K343-A347 WeakPolarHBondContact O-CB 3.43Å; K343-A347 PolarHBondContact O-N 2.87Å; K343-E419 WeakPolarHBondContact CE-O 3.41Å; K343-E419 PolarHBondContact NZ-O 3.26Å; K343-E419 VanDerWaalsContact NZ-O 3.16Å; K343-C420 HydrophobicContact CB-CB 3.92Å; K343-C420 HydrophobicContact CG-CB 4.28Å
344A98.9Very high98.3Very high0 Ų022.6 Ų22.60%010%0.104CC..Hα-helixtrans-60.6-45.4176.900000112.1D340 I341 S348 W424 V427 F441D340-A344 PolarHBondContact O-N 3.13Å; I341-A344 PolarHBondContact O-N 2.97Å; A344-S348 WeakPolarHBondContact O-CB 3.17Å; A344-S348 PolarHBondContact O-N 2.47Å; A344-S348 PolarHBondContact O-OG 3.17Å; A344-W424 HydrophobicContact CB-CB 4.32Å; A344-W424 HydrophobicContact CB-CG 4.29Å; A344-V427 HydrophobicContact CB-CB 3.64Å; A344-V427 HydrophobicContact CB-CG1 3.67Å; A344-V427 HydrophobicContact CB-CG2 3.73Å; A344-F441 HydrophobicContact CB-CD1 4.29Å; A344-F441 HydrophobicContact CB-CE1 4.23Å; A344-F441 HydrophobicContact CB-CZ 4.47Å
345L98.9Very high98.5Very high5 Ų521.8 Ų21.83%0.02610%0.098CC..Hα-helixtrans-58.9-49.3176.1-178.654.1000111.6L211 I212 A215 W237 L242 I247 I341 W342 K349 F441L211-L345 HydrophobicContact CB-CD1 3.6Å; I212-L345 HydrophobicContact CG1-CD1 4.4Å; A215-L345 HydrophobicContact CB-CD2 4.22Å; W237-L345 HydrophobicContact CE3-CD2 3.89Å; W237-L345 HydrophobicContact CZ3-CD2 3.66Å; L242-L345 HydrophobicContact CD1-CB 4.39Å; L242-L345 HydrophobicContact CD1-CD2 3.69Å; L242-L345 HydrophobicContact CD1-CG 3.95Å; L242-L345 HydrophobicContact CD2-CG 4.31Å; I247-L345 HydrophobicContact CD1-CD2 4.08Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.12Å; I341-L345 PolarHBondContact O-N 3.46Å; W342-L345 PolarHBondContact O-N 2.84Å; L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 3.35Å; L345-F441 HydrophobicContact CB-CE1 4.28Å; L345-F441 HydrophobicContact CB-CZ 4.32Å; L345-F441 HydrophobicContact CD1-CE1 4.38Å
346Y98.6Very high98.5Very high9 Ų916.8 Ų16.84%0.0358%0.076CC..Hα-helixtrans-69.5-43.4-177.1-166.6-149.2000112.9P241 L242 W342 K343 K349 I350 F390 V416P241-Y346 HydrophobicContact CB-CD1 4.32Å; P241-Y346 HydrophobicContact CB-CE1 3.66Å; P241-Y346 HydrophobicContact CB-CE2 4.27Å; P241-Y346 HydrophobicContact CG-CE1 4.44Å; L242-Y346 HydrophobicContact CD2-CD2 3.65Å; L242-Y346 HydrophobicContact CD2-CG 4.06Å; L242-Y346 HydrophobicContact CG-CD2 4.47Å; W342-Y346 AromaticContact CH2-CD1 3.58Å; W342-Y346 HydrophobicContact CH2-CD1 3.58Å; W342-Y346 HydrophobicContact CH2-CE1 4.19Å; W342-Y346 HydrophobicContact CH2-CG 4.34Å; W342-Y346 HydrophobicContact CZ2-CD1 4.05Å; W342-Y346 HydrophobicContact CZ2-CG 4.49Å; W342-Y346 HydrophobicContact CZ3-CD1 4.18Å; W342-Y346 WeakPolarHBondContact O-CB 3.09Å; W342-Y346 PolarHBondContact O-N 3.02Å; K343-Y346 PolarHBondContact O-N 3.49Å; Y346-K349 PolarHBondContact O-N 3.31Å; Y346-I350 HydrophobicContact CE2-CD1 4.44Å; Y346-I350 WeakPolarHBondContact O-CG1 3.29Å; Y346-I350 PolarHBondContact O-N 3.37Å; Y346-I350 VanDerWaalsContact O-N 3.09Å; Y346-F390 AromaticContact CE2-CD2 3.7Å; Y346-F390 HydrophobicContact CE2-CD2 3.7Å; Y346-F390 AromaticContact CE2-CE2 3.96Å; Y346-F390 HydrophobicContact CE2-CE2 3.96Å; Y346-V416 HydrophobicContact CD1-CG1 3.46Å; Y346-V416 VanDerWaalsContact CD1-CG1 3.46Å; Y346-V416 HydrophobicContact CE1-CB 4.34Å; Y346-V416 HydrophobicContact CE1-CG1 3.21Å; Y346-V416 HydrophobicContact CE1-CG2 4.15Å; Y346-V416 HydrophobicContact CG-CG1 4.35Å
347A98.8Very high98.5Very high0 Ų010.8 Ų10.80%05%0.05CC..Hα-helixtrans-63.1-44.5176.500000112.4K343 K349 I350 V351 I417 C420 W424K343-A347 VanDerWaalsContact O-CB 3.32Å; K343-A347 WeakPolarHBondContact O-CB 3.43Å; K343-A347 PolarHBondContact O-N 2.87Å; A347-K349 PolarHBondContact O-N 3.21Å; A347-I350 WeakPolarHBondContact O-CB 3.34Å; A347-I350 PolarHBondContact O-N 2.96Å; A347-V351 PolarHBondContact O-N 2.74Å; A347-V351 VanDerWaalsContact O-N 3.1Å; A347-I417 HydrophobicContact CB-CD1 3.77Å; A347-C420 HydrophobicContact CB-CB 3.85Å; A347-W424 HydrophobicContact CB-CD2 3.78Å; A347-W424 HydrophobicContact CB-CE3 3.63Å; A347-W424 HydrophobicContact CB-CG 4.22Å; A347-W424 HydrophobicContact CB-CH2 4.49Å; A347-W424 HydrophobicContact CB-CZ3 4.04Å
348S98.9Very high98.5Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-69.3-35.2-179.6-55.80000112L211 L294 A344 I350 V351 S352 W424 F441L211-S348 VanDerWaalsContact CD2-CB 3.46Å; L294-S348 VanDerWaalsContact CD2-O 3.27Å; L294-S348 WeakPolarHBondContact CD2-O 3.27Å; A344-S348 WeakPolarHBondContact O-CB 3.17Å; A344-S348 PolarHBondContact O-N 2.47Å; A344-S348 PolarHBondContact O-OG 3.17Å; S348-I350 VanDerWaalsContact C-N 3.32Å; S348-I350 PolarHBondContact O-N 3.14Å; S348-V351 PolarHBondContact O-N 3.42Å; S348-S352 PolarHBondContact O-N 3.25Å; S348-W424 PolarHBondContact OG-NE1 3.37Å; S348-F441 WeakPolarHBondContact OG-CD1 3.47Å
349K98.6Very high98.5Very high12 Ų1212 Ų125%0.0526%0.055CC..Hα-helixtrans-58.7-44.7170.3-178.7174.5179.496.40110.8D208 L211 L242 L345 Y346 A347 V351 S352 Y353D208-K349 IonicContact OD1-NZ 3.29Å; D208-K349 PolarHBondContact OD1-NZ 3.27Å; D208-K349 IonicContact OD2-NZ 3.83Å; D208-K349 PolarHBondContact OD2-NZ 2.78Å; L211-K349 HydrophobicContact CD1-CB 4.38Å; L242-K349 HydrophobicContact CD2-CD 4.41Å; L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 3.35Å; Y346-K349 PolarHBondContact O-N 3.31Å; A347-K349 PolarHBondContact O-N 3.21Å; K349-V351 VanDerWaalsContact C-N 3.3Å; K349-V351 PolarHBondContact O-N 3.32Å; K349-S352 WeakPolarHBondContact O-CB 3.46Å; K349-S352 PolarHBondContact O-N 2.76Å; K349-Y353 HydrophobicContact CD-CE2 4.35Å; K349-Y353 HydrophobicContact CG-CD2 3.98Å; K349-Y353 HydrophobicContact CG-CE2 3.73Å; K349-Y353 PolarHBondContact NZ-OH 2.79Å; K349-Y353 VanDerWaalsContact O-CD2 3.25Å; K349-Y353 WeakPolarHBondContact O-CD2 3.16Å; K349-Y353 PolarHBondContact O-N 3.42Å; K349-Y353 VanDerWaalsContact O-N 3.1Å
350I98.5Very high98.4Very high1 Ų19.1 Ų9.11%0.0054%0.04CC..Hα-helixtrans-57.4-44.8175.3-70.2162.6000111.4Y346 A347 S348 S352 Y353 A354 F390 L408 F413 V416 I417Y346-I350 HydrophobicContact CE2-CD1 4.44Å; Y346-I350 WeakPolarHBondContact O-CG1 3.29Å; Y346-I350 PolarHBondContact O-N 3.37Å; Y346-I350 VanDerWaalsContact O-N 3.09Å; A347-I350 WeakPolarHBondContact O-CB 3.34Å; A347-I350 PolarHBondContact O-N 2.96Å; S348-I350 VanDerWaalsContact C-N 3.32Å; S348-I350 PolarHBondContact O-N 3.14Å; I350-S352 PolarHBondContact O-N 2.89Å; I350-Y353 PolarHBondContact O-N 3.49Å; I350-A354 WeakPolarHBondContact O-CB 3.42Å; I350-A354 PolarHBondContact O-N 3.27Å; I350-F390 HydrophobicContact CB-CZ 4.29Å; I350-F390 HydrophobicContact CD1-CE2 4.31Å; I350-F390 HydrophobicContact CG1-CE2 3.45Å; I350-F390 VanDerWaalsContact CG1-CE2 3.45Å; I350-F390 HydrophobicContact CG1-CZ 3.59Å; I350-L408 HydrophobicContact CG2-CD2 3.71Å; I350-F413 HydrophobicContact CD1-CD1 4.19Å; I350-F413 HydrophobicContact CG1-CD1 4.03Å; I350-F413 HydrophobicContact CG2-CB 4.17Å; I350-F413 HydrophobicContact CG2-CD1 4.07Å; I350-F413 HydrophobicContact CG2-CG 4.36Å; I350-V416 HydrophobicContact CD1-CB 3.93Å; I350-V416 HydrophobicContact CD1-CG1 3.4Å; I350-I417 HydrophobicContact CB-CD1 4.15Å; I350-I417 HydrophobicContact CD1-CD1 4.19Å; I350-I417 HydrophobicContact CD1-CG1 4.41Å; I350-I417 HydrophobicContact CG2-CD1 4.1Å; I350-I417 HydrophobicContact CG2-CG1 4.26Å
351V98.7Very high98.3Very high0 Ų011.3 Ų11.30%05%0.05CC..Hα-helixtrans-62.7-41.8177.3176.50000111.9L294 A347 S348 K349 Y353 A354 Q355 L408 W424 A444 F447L294-V351 HydrophobicContact CD1-CG1 3.71Å; L294-V351 HydrophobicContact CD2-CB 4.46Å; L294-V351 HydrophobicContact CD2-CG1 4.46Å; A347-V351 PolarHBondContact O-N 2.74Å; A347-V351 VanDerWaalsContact O-N 3.1Å; S348-V351 PolarHBondContact O-N 3.42Å; K349-V351 VanDerWaalsContact C-N 3.3Å; K349-V351 PolarHBondContact O-N 3.32Å; V351-Y353 VanDerWaalsContact C-N 3.34Å; V351-Y353 PolarHBondContact O-N 2.88Å; V351-A354 WeakPolarHBondContact O-CB 3.24Å; V351-A354 PolarHBondContact O-N 2.85Å; V351-Q355 HydrophobicContact CG1-CG 4.35Å; V351-Q355 WeakPolarHBondContact O-CG 3.2Å; V351-Q355 PolarHBondContact O-N 3Å; V351-L408 HydrophobicContact CG2-CD2 4.46Å; V351-W424 HydrophobicContact CG2-CH2 3.79Å; V351-W424 HydrophobicContact CG2-CZ2 4.43Å; V351-A444 HydrophobicContact CB-CB 4.24Å; V351-A444 HydrophobicContact CG1-CB 4.26Å; V351-F447 HydrophobicContact CG1-CB 4.26Å; V351-F447 HydrophobicContact CG1-CD1 3.4Å; V351-F447 VanDerWaalsContact CG1-CD1 3.4Å; V351-F447 HydrophobicContact CG1-CE1 4.05Å; V351-F447 HydrophobicContact CG1-CG 4.1Å
352S98.4Very high98.1Very high0 Ų012.9 Ų12.90%06%0.057CC..Hα-helixtrans-56.6-48.3177.3-1770000111.6A207 S348 K349 I350 Q355 G356A207-S352 VanDerWaalsContact CB-OG 3.23Å; A207-S352 WeakPolarHBondContact CB-OG 3.34Å; S348-S352 PolarHBondContact O-N 3.25Å; K349-S352 WeakPolarHBondContact O-CB 3.46Å; K349-S352 PolarHBondContact O-N 2.76Å; I350-S352 PolarHBondContact O-N 2.89Å; S352-Q355 PolarHBondContact O-N 3.35Å; S352-G356 PolarHBondContact O-N 3.35Å
353Y98.5Very high97.8Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-69.5-39.1178-78.3-109000111.4I204 D208 K349 I350 V351 Q355 G356 F357 I386 F390 L391 I394I204-Y353 HydrophobicContact CD1-CD1 4.32Å; I204-Y353 HydrophobicContact CG2-CD1 4.24Å; I204-Y353 HydrophobicContact CG2-CD2 3.83Å; I204-Y353 HydrophobicContact CG2-CE1 3.92Å; I204-Y353 HydrophobicContact CG2-CE2 3.49Å; I204-Y353 VanDerWaalsContact CG2-CE2 3.49Å; I204-Y353 HydrophobicContact CG2-CG 4.23Å; D208-Y353 PolarHBondContact OD2-OH 2.97Å; K349-Y353 HydrophobicContact CD-CE2 4.35Å; K349-Y353 HydrophobicContact CG-CD2 3.98Å; K349-Y353 HydrophobicContact CG-CE2 3.73Å; K349-Y353 PolarHBondContact NZ-OH 2.79Å; K349-Y353 VanDerWaalsContact O-CD2 3.25Å; K349-Y353 WeakPolarHBondContact O-CD2 3.16Å; K349-Y353 PolarHBondContact O-N 3.42Å; K349-Y353 VanDerWaalsContact O-N 3.1Å; I350-Y353 PolarHBondContact O-N 3.49Å; V351-Y353 VanDerWaalsContact C-N 3.34Å; V351-Y353 PolarHBondContact O-N 2.88Å; Y353-Q355 VanDerWaalsContact C-N 3.3Å; Y353-Q355 PolarHBondContact O-N 2.72Å; Y353-G356 PolarHBondContact O-N 3.47Å; Y353-F357 HydrophobicContact CD1-CE2 4.24Å; Y353-F357 WeakPolarHBondContact O-CB 3.23Å; Y353-F357 VanDerWaalsContact O-CD2 3.27Å; Y353-F357 WeakPolarHBondContact O-CD2 3.46Å; Y353-F357 PolarHBondContact O-N 2.89Å; Y353-I386 HydrophobicContact CE1-CD1 4.24Å; Y353-I386 PolarHBondContact OH-O 3.39Å; Y353-F390 HydrophobicContact CD1-CD1 4.26Å; Y353-F390 AromaticContact CD1-CE1 3.87Å; Y353-F390 HydrophobicContact CD1-CE1 3.87Å; Y353-F390 HydrophobicContact CD2-CD1 4.26Å; Y353-F390 AromaticContact CD2-CE1 3.68Å; Y353-F390 HydrophobicContact CD2-CE1 3.68Å; Y353-F390 HydrophobicContact CE1-CD1 4.15Å; Y353-F390 HydrophobicContact CE1-CE1 4.21Å; Y353-F390 HydrophobicContact CE2-CD1 4.14Å; Y353-F390 HydrophobicContact CE2-CE1 4.03Å; Y353-F390 HydrophobicContact CG-CD1 4.28Å; Y353-F390 AromaticContact CG-CE1 3.55Å; Y353-F390 HydrophobicContact CG-CE1 3.55Å; Y353-L391 HydrophobicContact CD1-CD2 4.36Å; Y353-L391 HydrophobicContact CE1-CD2 3.77Å; Y353-L391 HydrophobicContact CE1-CG 4.18Å; Y353-I394 HydrophobicContact CD1-CD1 3.41Å; Y353-I394 VanDerWaalsContact CD1-CD1 3.41Å; Y353-I394 HydrophobicContact CE1-CD1 4.17Å; Y353-I394 HydrophobicContact CG-CD1 3.96Å
354A98.4Very high97.5Very high1 Ų114.3 Ų14.31%0.0086%0.062CC..Hα-helixtrans-55.7-46.3173.500000111.5I350 V351 F357 M358 L407 L408I350-A354 WeakPolarHBondContact O-CB 3.42Å; I350-A354 PolarHBondContact O-N 3.27Å; V351-A354 WeakPolarHBondContact O-CB 3.24Å; V351-A354 PolarHBondContact O-N 2.85Å; A354-F357 PolarHBondContact O-N 3.43Å; A354-M358 VanDerWaalsContact O-CG 3.23Å; A354-M358 WeakPolarHBondContact O-CG 3.34Å; A354-M358 PolarHBondContact O-N 3.47Å; A354-L407 HydrophobicContact CB-CB 4.1Å; A354-L408 HydrophobicContact CB-CD1 4.47Å; A354-L408 HydrophobicContact CB-CG 4.06Å
355Q98.5Very high97.2Very high0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-64.5-45.1175.8-71.4-179-2.700112.8P291 V292 T293 L294 V351 S352 Y353 F357 M358 L359 F447P291-Q355 VanDerWaalsContact O-CD 3.23Å; P291-Q355 WeakPolarHBondContact O-CG 3.26Å; P291-Q355 PolarHBondContact O-NE2 2.83Å; V292-Q355 VanDerWaalsContact C-OE1 3.25Å; V292-Q355 HydrophobicContact CG1-CB 4.35Å; T293-Q355 PolarHBondContact OG1-NE2 3.09Å; L294-Q355 VanDerWaalsContact CD1-NE2 3.34Å; L294-Q355 VanDerWaalsContact N-OE1 3.07Å; V351-Q355 HydrophobicContact CG1-CG 4.35Å; V351-Q355 WeakPolarHBondContact O-CG 3.2Å; V351-Q355 PolarHBondContact O-N 3Å; S352-Q355 PolarHBondContact O-N 3.35Å; Y353-Q355 VanDerWaalsContact C-N 3.3Å; Y353-Q355 PolarHBondContact O-N 2.72Å; Q355-F357 VanDerWaalsContact C-N 3.32Å; Q355-F357 PolarHBondContact O-N 2.88Å; Q355-M358 WeakPolarHBondContact O-CB 3.42Å; Q355-M358 PolarHBondContact O-N 3.31Å; Q355-L359 PolarHBondContact O-N 3.49Å; Q355-L359 VanDerWaalsContact O-N 3.07Å; Q355-F447 HydrophobicContact CG-CD1 4.39Å; Q355-F447 HydrophobicContact CG-CD2 4.39Å; Q355-F447 HydrophobicContact CG-CE1 4.1Å; Q355-F447 HydrophobicContact CG-CE2 4.13Å; Q355-F447 HydrophobicContact CG-CZ 3.96Å; Q355-F447 VanDerWaalsContact NE2-CD2 3.28Å
356G98.1Very high96.9Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-61-40.2177.200000112.7S352 Y353 L359 L360S352-G356 PolarHBondContact O-N 3.35Å; Y353-G356 PolarHBondContact O-N 3.47Å; G356-L359 WeakPolarHBondContact O-CB 3.39Å; G356-L359 PolarHBondContact O-N 3.06Å; G356-L360 PolarHBondContact O-N 3.37Å
357F97.9Very high96.7Very high1 Ų125 Ų250%0.00412%0.118CC..Hα-helixtrans-73.5-30.7177-85.8-99.3000113.2Y353 A354 Q355 L359 L360 Q361 L373 A377 W380 I394 Y398 L407Y353-F357 HydrophobicContact CD1-CE2 4.24Å; Y353-F357 WeakPolarHBondContact O-CB 3.23Å; Y353-F357 VanDerWaalsContact O-CD2 3.27Å; Y353-F357 WeakPolarHBondContact O-CD2 3.46Å; Y353-F357 PolarHBondContact O-N 2.89Å; A354-F357 PolarHBondContact O-N 3.43Å; Q355-F357 VanDerWaalsContact C-N 3.32Å; Q355-F357 PolarHBondContact O-N 2.88Å; F357-L359 VanDerWaalsContact C-N 3.29Å; F357-L359 PolarHBondContact O-N 2.97Å; F357-L360 HydrophobicContact CD1-CD1 4.19Å; F357-L360 HydrophobicContact CE1-CD1 4.29Å; F357-L360 HydrophobicContact CG-CD1 4.36Å; F357-L360 PolarHBondContact O-N 3.09Å; F357-Q361 WeakPolarHBondContact O-CG 3.43Å; F357-Q361 PolarHBondContact O-N 3.41Å; F357-L373 HydrophobicContact CD1-CB 4.09Å; F357-L373 HydrophobicContact CD1-CD2 4.23Å; F357-L373 HydrophobicContact CE1-CB 4.04Å; F357-A377 HydrophobicContact CZ-CB 4.1Å; F357-W380 HydrophobicContact CE2-CE3 4.21Å; F357-W380 AromaticContact CE2-CZ3 3.65Å; F357-W380 HydrophobicContact CE2-CZ3 3.65Å; F357-W380 HydrophobicContact CZ-CE3 4.28Å; F357-W380 AromaticContact CZ-CZ3 3.95Å; F357-W380 HydrophobicContact CZ-CZ3 3.95Å; F357-I394 HydrophobicContact CD1-CG2 4.49Å; F357-I394 HydrophobicContact CE1-CG2 3.84Å; F357-I394 HydrophobicContact CE2-CD1 4.1Å; F357-I394 HydrophobicContact CE2-CG2 3.96Å; F357-I394 HydrophobicContact CZ-CG2 3.55Å; F357-Y398 HydrophobicContact CD1-CD2 4.31Å; F357-Y398 AromaticContact CD1-CE2 3.34Å; F357-Y398 HydrophobicContact CD1-CE2 3.34Å; F357-Y398 AromaticContact CD1-CZ 3.79Å; F357-Y398 HydrophobicContact CE1-CD2 4.2Å; F357-Y398 AromaticContact CE1-CE2 3.64Å; F357-Y398 HydrophobicContact CE1-CE2 3.64Å; F357-Y398 HydrophobicContact CG-CE2 4.15Å; F357-L407 HydrophobicContact CB-CD1 4.11Å; F357-L407 HydrophobicContact CD2-CD1 3.92Å; F357-L407 HydrophobicContact CG-CD1 4Å
358M97.3Very high96.5Very high36 Ų3627.4 Ų27.418%0.17714%0.142CC..Hα-helixtrans-59.6-42.4167-70.4163.866.300111I290 P291 A354 Q355 Q361 Q362 N406 F447I290-M358 HydrophobicContact CG2-CB 3.96Å; I290-M358 HydrophobicContact CG2-CE 4.48Å; P291-M358 HydrophobicContact CG-CE 4.29Å; A354-M358 VanDerWaalsContact O-CG 3.23Å; A354-M358 WeakPolarHBondContact O-CG 3.34Å; A354-M358 PolarHBondContact O-N 3.47Å; Q355-M358 WeakPolarHBondContact O-CB 3.42Å; Q355-M358 PolarHBondContact O-N 3.31Å; M358-Q361 WeakPolarHBondContact O-CB 3.1Å; M358-Q361 PolarHBondContact O-N 2.95Å; M358-Q362 PolarHBondContact O-N 3.24Å; M358-N406 PolarHBondContact SD-ND2 3.41Å; M358-F447 HydrophobicContact CE-CZ 4.31Å; M358-F447 HydrophobicContact SD-CZ 3.84Å
359L97.6Very high96.3Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-66.7-36.3177.4-174.760.9000112.2Y196 V200 T281 I290 V292 Q355 G356 F357 Q362Y196-L359 WeakPolarHBondContact OH-CG 3.33Å; Y196-L359 PolarHBondContact OH-O 3.13Å; V200-L359 HydrophobicContact CG2-CD2 4.04Å; V200-L359 HydrophobicContact CG2-CG 4.34Å; T281-L359 HydrophobicContact CG2-CD2 3.66Å; I290-L359 HydrophobicContact CB-CD1 4.13Å; I290-L359 HydrophobicContact CG1-CD1 4.24Å; I290-L359 HydrophobicContact CG2-CB 4.21Å; I290-L359 HydrophobicContact CG2-CD1 4.44Å; V292-L359 HydrophobicContact CG1-CB 3.97Å; V292-L359 HydrophobicContact CG1-CD2 3.98Å; V292-L359 HydrophobicContact CG1-CG 4.47Å; Q355-L359 PolarHBondContact O-N 3.49Å; Q355-L359 VanDerWaalsContact O-N 3.07Å; G356-L359 WeakPolarHBondContact O-CB 3.39Å; G356-L359 PolarHBondContact O-N 3.06Å; F357-L359 VanDerWaalsContact C-N 3.29Å; F357-L359 PolarHBondContact O-N 2.97Å; L359-Q362 PolarHBondContact O-N 2.68Å
360L97.5Very high96Very high1 Ų136.4 Ų36.41%0.00518%0.181CC..Hα-helixtrans-64.7-41.7171.6-70.7172.4000112.3Y196 V197 V200 G356 F357 Q362 A363 L371 L373 I376 W380Y196-L360 HydrophobicContact CD1-CD2 4.1Å; Y196-L360 HydrophobicContact CE1-CD2 3.98Å; V197-L360 HydrophobicContact CG2-CD2 4.07Å; V200-L360 HydrophobicContact CB-CD2 4.07Å; V200-L360 HydrophobicContact CB-CG 4.39Å; V200-L360 HydrophobicContact CG1-CD1 4.48Å; V200-L360 HydrophobicContact CG1-CD2 4.32Å; V200-L360 HydrophobicContact CG1-CG 4.08Å; V200-L360 HydrophobicContact CG2-CD2 3.9Å; V200-L360 HydrophobicContact CG2-CG 4.36Å; G356-L360 PolarHBondContact O-N 3.37Å; F357-L360 HydrophobicContact CD1-CD1 4.19Å; F357-L360 HydrophobicContact CE1-CD1 4.29Å; F357-L360 HydrophobicContact CG-CD1 4.36Å; F357-L360 PolarHBondContact O-N 3.09Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.36Å; L360-A363 WeakPolarHBondContact O-CB 3.28Å; L360-A363 PolarHBondContact O-N 3.33Å; L360-L371 HydrophobicContact CB-CD1 4.47Å; L360-L371 HydrophobicContact CD2-CD1 4.1Å; L360-L373 HydrophobicContact CB-CD2 3.7Å; L360-L373 HydrophobicContact CD1-CD2 4.34Å; L360-I376 HydrophobicContact CD1-CD1 4.28Å; L360-I376 HydrophobicContact CD1-CG2 3.93Å; L360-I376 HydrophobicContact CD2-CD1 4.42Å; L360-W380 HydrophobicContact CD1-CH2 3.78Å; L360-W380 HydrophobicContact CD1-CZ3 4.36Å
361Q95.7Very high95.9Very high54 Ų5437.3 Ų37.325%0.25219%0.186SC..Hα-helixtrans-61.7-38.2176.3-77.5174.5-3.200112.2F357 M358 A363 Y364 L373 Y398 L404 S405F357-Q361 WeakPolarHBondContact O-CG 3.43Å; F357-Q361 PolarHBondContact O-N 3.41Å; M358-Q361 WeakPolarHBondContact O-CB 3.1Å; M358-Q361 PolarHBondContact O-N 2.95Å; Q361-A363 PolarHBondContact O-N 2.8Å; Q361-A363 VanDerWaalsContact O-N 3.16Å; Q361-Y364 PolarHBondContact O-N 3.09Å; Q361-L373 HydrophobicContact CG-CD1 3.38Å; Q361-L373 HydrophobicContact CG-CD2 4.49Å; Q361-L373 VanDerWaalsContact NE2-CD1 3.29Å; Q361-Y398 PolarHBondContact NE2-OH 2.76Å; Q361-L404 PolarHBondContact NE2-O 2.96Å; Q361-S405 PolarHBondContact OE1-O 2.91Å; Q361-S405 VanDerWaalsContact OE1-O 3.13Å
362Q94.9Very high95.7Very high33 Ų3342.3 Ų42.315%0.15421%0.212CC..Hα-helixtrans-63.3-20.7179.1-168.858.515.600113.3H288 I290 M358 L359 L360 Y364 Q365 A366H288-Q362 HydrophobicContact CB-CG 3.85Å; I290-Q362 HydrophobicContact CD1-CB 3.95Å; I290-Q362 HydrophobicContact CD1-CG 3.83Å; I290-Q362 HydrophobicContact CG1-CB 3.77Å; I290-Q362 HydrophobicContact CG1-CG 3.69Å; M358-Q362 PolarHBondContact O-N 3.24Å; L359-Q362 PolarHBondContact O-N 2.68Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.36Å; Q362-Y364 PolarHBondContact O-N 3.29Å; Q362-Y364 VanDerWaalsContact O-N 3.11Å; Q362-Q365 PolarHBondContact O-N 3.2Å; Q362-Q365 VanDerWaalsContact OE1-OE1 3.14Å; Q362-A366 WeakPolarHBondContact O-CB 3.4Å; Q362-A366 PolarHBondContact O-N 3.49Å
363A92.3Very high95.6Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-57.5-27.1176.300000113.2Y196 L360 Q361 F367 G368 W369 L371Y196-A363 HydrophobicContact CD1-CB 4.43Å; Y196-A363 HydrophobicContact CE1-CB 3.88Å; L360-A363 WeakPolarHBondContact O-CB 3.28Å; L360-A363 PolarHBondContact O-N 3.33Å; Q361-A363 PolarHBondContact O-N 2.8Å; Q361-A363 VanDerWaalsContact O-N 3.16Å; A363-F367 HydrophobicContact CB-CD2 4.08Å; A363-F367 WeakPolarHBondContact O-CA 3.33Å; A363-F367 WeakPolarHBondContact O-CB 3.48Å; A363-F367 PolarHBondContact O-N 3.44Å; A363-G368 PolarHBondContact O-N 3.09Å; A363-W369 HydrophobicContact CB-CE3 4.4Å; A363-W369 PolarHBondContact O-N 3.29Å; A363-L371 HydrophobicContact CB-CD1 3.87Å; A363-L371 HydrophobicContact CB-CG 4.4Å
364Y92.9Very high95.4Very high147 Ų14743.1 Ų43.158%0.57622%0.218SC*.Hα-helixtrans-68.5-45.5174.4-178.2-112.2000111.9Q361 Q362 G368 W369 K370Q361-Y364 PolarHBondContact O-N 3.09Å; Q362-Y364 PolarHBondContact O-N 3.29Å; Q362-Y364 VanDerWaalsContact O-N 3.11Å; Y364-G368 WeakPolarHBondContact O-CA 3.45Å; Y364-G368 PolarHBondContact O-N 3.04Å; Y364-W369 WeakPolarHBondContact CA-O 3.38Å; Y364-W369 PolarHBondContact N-O 2.7Å; Y364-K370 HydrophobicContact CD2-CB 4.16Å; Y364-K370 HydrophobicContact CE2-CB 4.42Å
365Q91.9Very high95.2Very high149 Ų14944 Ų4470%0.69623%0.225SC*.Hα-helixtrans-69.9-39.2178.1-65.8-175.56.800111.8Q362Q362-Q365 PolarHBondContact O-N 3.2Å; Q362-Q365 VanDerWaalsContact OE1-OE1 3.14Å
366A92.9Very high95.2Very high39 Ų3944 Ų4432%0.32223%0.225SC..Hα-helixtrans-75.3-40.2-177.500000113.2Q362Q362-A366 WeakPolarHBondContact O-CB 3.4Å; Q362-A366 PolarHBondContact O-N 3.49Å
367F94.3Very high95.1Very high52 Ų5244 Ų4423%0.22823%0.225CC..Hα-helixtrans-131-3-167.7-44.7-59.1000114.5Y120 M121 Y196 H288 A363 W369Y120-F367 HydrophobicContact CD2-CZ 4.46Å; Y120-F367 AromaticContact CE2-CE1 3.91Å; Y120-F367 HydrophobicContact CE2-CE1 3.91Å; Y120-F367 AromaticContact CE2-CE2 3.99Å; Y120-F367 HydrophobicContact CE2-CE2 3.99Å; Y120-F367 AromaticContact CE2-CZ 3.44Å; Y120-F367 HydrophobicContact CE2-CZ 3.44Å; Y120-F367 VanDerWaalsContact CE2-CZ 3.44Å; Y120-F367 AromaticContact CZ-CZ 3.89Å; M121-F367 HydrophobicContact SD-CE1 4.4Å; Y196-F367 HydrophobicContact CD2-CE2 4.16Å; Y196-F367 AromaticContact CE2-CE2 3.76Å; Y196-F367 HydrophobicContact CE2-CE2 3.76Å; Y196-F367 HydrophobicContact CE2-CZ 4.45Å; H288-F367 AromaticContact CE1-CZ 3.92Å; H288-F367 AromaticContact NE2-CE1 3.99Å; H288-F367 AromaticContact NE2-CZ 3.29Å; H288-F367 VanDerWaalsContact NE2-CZ 3.29Å; H288-F367 WeakPolarHBondContact NE2-CZ 3.36Å; A363-F367 HydrophobicContact CB-CD2 4.08Å; A363-F367 WeakPolarHBondContact O-CA 3.33Å; A363-F367 WeakPolarHBondContact O-CB 3.48Å; A363-F367 PolarHBondContact O-N 3.44Å; F367-W369 HydrophobicContact CB-CD2 3.62Å; F367-W369 HydrophobicContact CB-CE3 4.07Å; F367-W369 HydrophobicContact CB-CG 3.89Å; F367-W369 HydrophobicContact CB-CH2 4.36Å; F367-W369 HydrophobicContact CB-CZ2 3.95Å; F367-W369 HydrophobicContact CB-CZ3 4.41Å; F367-W369 HydrophobicContact CD2-CD2 4.21Å; F367-W369 AromaticContact CD2-CE3 3.75Å; F367-W369 HydrophobicContact CD2-CE3 3.75Å; F367-W369 HydrophobicContact CD2-CH2 4.11Å; F367-W369 AromaticContact CD2-CZ3 3.69Å; F367-W369 HydrophobicContact CD2-CZ3 3.69Å; F367-W369 HydrophobicContact CE2-CZ3 4.26Å; F367-W369 HydrophobicContact CG-CD2 4.26Å; F367-W369 HydrophobicContact CG-CE3 4.23Å; F367-W369 HydrophobicContact CG-CH2 4.18Å; F367-W369 HydrophobicContact CG-CZ2 4.22Å; F367-W369 HydrophobicContact CG-CZ3 4.18Å; F367-W369 VanDerWaalsContact O-CD1 3.26Å; F367-W369 PolarHBondContact O-N 3.47Å; F367-W369 PolarHBondContact O-NE1 3.17Å
368G95Very high94.9Very high49 Ų4945.2 Ų45.251%0.50523%0.231SC..  trans73.511.4-17400000114A363 Y364 K370A363-G368 PolarHBondContact O-N 3.09Å; Y364-G368 WeakPolarHBondContact O-CA 3.45Å; Y364-G368 PolarHBondContact O-N 3.04Å; G368-K370 PolarHBondContact O-N 3.27Å
369W94.9Very high94.9Very high17 Ų1743.7 Ų43.76%0.06422%0.223CC..  trans-84.4107.2-178.1-58-12.3000110.8Y120 P190 A191 Y196 A363 Y364 F367 L371Y120-W369 HydrophobicContact CD2-CH2 4.09Å; Y120-W369 HydrophobicContact CD2-CZ3 4.45Å; P190-W369 VanDerWaalsContact CG-CD1 3.49Å; P190-W369 HydrophobicContact CG-CG 4.17Å; A191-W369 HydrophobicContact CB-CZ2 3.85Å; Y196-W369 HydrophobicContact CD2-CZ3 4.38Å; Y196-W369 HydrophobicContact CG-CZ3 4.06Å; A363-W369 HydrophobicContact CB-CE3 4.4Å; A363-W369 PolarHBondContact O-N 3.29Å; Y364-W369 WeakPolarHBondContact CA-O 3.38Å; Y364-W369 PolarHBondContact N-O 2.7Å; F367-W369 HydrophobicContact CB-CD2 3.62Å; F367-W369 HydrophobicContact CB-CE3 4.07Å; F367-W369 HydrophobicContact CB-CG 3.89Å; F367-W369 HydrophobicContact CB-CH2 4.36Å; F367-W369 HydrophobicContact CB-CZ2 3.95Å; F367-W369 HydrophobicContact CB-CZ3 4.41Å; F367-W369 HydrophobicContact CD2-CD2 4.21Å; F367-W369 AromaticContact CD2-CE3 3.75Å; F367-W369 HydrophobicContact CD2-CE3 3.75Å; F367-W369 HydrophobicContact CD2-CH2 4.11Å; F367-W369 AromaticContact CD2-CZ3 3.69Å; F367-W369 HydrophobicContact CD2-CZ3 3.69Å; F367-W369 HydrophobicContact CE2-CZ3 4.26Å; F367-W369 HydrophobicContact CG-CD2 4.26Å; F367-W369 HydrophobicContact CG-CE3 4.23Å; F367-W369 HydrophobicContact CG-CH2 4.18Å; F367-W369 HydrophobicContact CG-CZ2 4.22Å; F367-W369 HydrophobicContact CG-CZ3 4.18Å; F367-W369 VanDerWaalsContact O-CD1 3.26Å; F367-W369 PolarHBondContact O-N 3.47Å; F367-W369 PolarHBondContact O-NE1 3.17Å; W369-L371 HydrophobicContact CB-CD2 4.03Å; W369-L371 HydrophobicContact CB-CG 4.35Å; W369-L371 PolarHBondContact O-N 3.26Å
370K92.1Very high94.8Very high184 Ų18443.7 Ų43.780%0.822%0.223SC*.  trans-8184.4172.6-170.4175.5-178.2179.70109.9Y364 G368Y364-K370 HydrophobicContact CD2-CB 4.16Å; Y364-K370 HydrophobicContact CE2-CB 4.42Å; G368-K370 PolarHBondContact O-N 3.27Å
371L95.4Very high94.7Very high20 Ų2047.7 Ų47.711%0.10524%0.239CC..  trans-73.4139.2179.9-56.7-176.9000111.5T188 V197 L360 A363 W369 L373 I376T188-L371 WeakPolarHBondContact O-CD2 3.44Å; V197-L371 HydrophobicContact CG2-CD1 4.33Å; L360-L371 HydrophobicContact CB-CD1 4.47Å; L360-L371 HydrophobicContact CD2-CD1 4.1Å; A363-L371 HydrophobicContact CB-CD1 3.87Å; A363-L371 HydrophobicContact CB-CG 4.4Å; W369-L371 HydrophobicContact CB-CD2 4.03Å; W369-L371 HydrophobicContact CB-CG 4.35Å; W369-L371 PolarHBondContact O-N 3.26Å; L371-L373 HydrophobicContact CB-CD2 4.41Å; L371-L373 PolarHBondContact O-N 3.2Å; L371-I376 HydrophobicContact CB-CD1 3.92Å; L371-I376 HydrophobicContact CD1-CD1 4.13Å
372D95.2Very high94.6Very high105 Ų10545.6 Ų45.656%0.56123%0.231SC*.  trans-85.3101.3168.6-174.2-26.2000109.6G374 A375 I376D372-G374 VanDerWaalsContact C-N 3.32Å; D372-G374 PolarHBondContact O-N 3.05Å; D372-G374 PolarHBondContact OD1-N 3.4Å; D372-A375 HydrophobicContact CB-CB 3.79Å; D372-A375 PolarHBondContact O-N 3.24Å; D372-A375 PolarHBondContact OD1-N 3.11Å; D372-I376 WeakPolarHBondContact O-CG1 3.38Å; D372-I376 PolarHBondContact O-N 3.42Å
373L96.1Very high94.5Very high15 Ų1544.5 Ų44.58%0.07923%0.229CC..Hα-helixtrans-68.8-30.8-176.5-56.7176.3000112.5F357 L360 Q361 L371 I376 A377 Y398F357-L373 HydrophobicContact CD1-CB 4.09Å; F357-L373 HydrophobicContact CD1-CD2 4.23Å; F357-L373 HydrophobicContact CE1-CB 4.04Å; L360-L373 HydrophobicContact CB-CD2 3.7Å; L360-L373 HydrophobicContact CD1-CD2 4.34Å; Q361-L373 HydrophobicContact CG-CD1 3.38Å; Q361-L373 HydrophobicContact CG-CD2 4.49Å; Q361-L373 VanDerWaalsContact NE2-CD1 3.29Å; L371-L373 HydrophobicContact CB-CD2 4.41Å; L371-L373 PolarHBondContact O-N 3.2Å; L373-I376 HydrophobicContact CD2-CD1 4.35Å; L373-I376 PolarHBondContact O-N 3.27Å; L373-A377 WeakPolarHBondContact O-CB 3.35Å; L373-A377 PolarHBondContact O-N 2.67Å; L373-Y398 HydrophobicContact CB-CD1 4.04Å; L373-Y398 HydrophobicContact CB-CD2 3.92Å; L373-Y398 HydrophobicContact CB-CE1 4.09Å; L373-Y398 HydrophobicContact CB-CE2 3.95Å; L373-Y398 HydrophobicContact CB-CG 3.96Å; L373-Y398 HydrophobicContact CD1-CD1 4.1Å; L373-Y398 HydrophobicContact CD1-CE1 3.48Å; L373-Y398 VanDerWaalsContact CD1-CE1 3.48Å; L373-Y398 HydrophobicContact CD1-CE2 4.37Å; L373-Y398 HydrophobicContact CG-CE1 4.45Å
374G94.9Very high94.7Very high3 Ų344.5 Ų44.53%0.03123%0.229CC..Hα-helixtrans-67.4-43.6173.800000111D372 A377 L378D372-G374 VanDerWaalsContact C-N 3.32Å; D372-G374 PolarHBondContact O-N 3.05Å; D372-G374 PolarHBondContact OD1-N 3.4Å; G374-A377 PolarHBondContact O-N 2.97Å; G374-L378 PolarHBondContact O-N 3.47Å
375A94Very high94.9Very high19 Ų1938.7 Ų38.716%0.15721%0.208CC..Hα-helixtrans-64.4-38.4174.600000112.3D372 L378 M379D372-A375 HydrophobicContact CB-CB 3.79Å; D372-A375 PolarHBondContact O-N 3.24Å; D372-A375 PolarHBondContact OD1-N 3.11Å; A375-L378 WeakPolarHBondContact O-CB 3.46Å; A375-L378 PolarHBondContact O-N 3.27Å; A375-M379 WeakPolarHBondContact O-CG 3.47Å; A375-M379 PolarHBondContact O-N 3.37Å
376I97.1Very high95.1Very high1 Ų131.7 Ų31.71%0.00518%0.175CC..Hα-helixtrans-62.3-45.7173.6-70.1164.7000111.1V197 L360 L371 D372 L373 L378 M379 W380V197-I376 HydrophobicContact CG1-CD1 4.41Å; V197-I376 HydrophobicContact CG1-CG1 4.15Å; V197-I376 HydrophobicContact CG1-CG2 3.83Å; V197-I376 HydrophobicContact CG2-CD1 3.7Å; V197-I376 HydrophobicContact CG2-CG1 4.15Å; L360-I376 HydrophobicContact CD1-CD1 4.28Å; L360-I376 HydrophobicContact CD1-CG2 3.93Å; L360-I376 HydrophobicContact CD2-CD1 4.42Å; L371-I376 HydrophobicContact CB-CD1 3.92Å; L371-I376 HydrophobicContact CD1-CD1 4.13Å; D372-I376 WeakPolarHBondContact O-CG1 3.38Å; D372-I376 PolarHBondContact O-N 3.42Å; L373-I376 HydrophobicContact CD2-CD1 4.35Å; L373-I376 PolarHBondContact O-N 3.27Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 3.18Å; I376-M379 HydrophobicContact CB-CE 4.37Å; I376-M379 HydrophobicContact CG1-CE 3.84Å; I376-M379 PolarHBondContact O-N 3.39Å; I376-W380 HydrophobicContact CG2-CD2 3.95Å; I376-W380 HydrophobicContact CG2-CE3 4.12Å; I376-W380 HydrophobicContact CG2-CH2 3.79Å; I376-W380 HydrophobicContact CG2-CZ2 3.54Å; I376-W380 HydrophobicContact CG2-CZ3 4.05Å; I376-W380 PolarHBondContact O-N 2.65Å; I376-W380 VanDerWaalsContact O-N 3.09Å
377A96.2Very high95.2Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-59.9-39.7175.500000112F357 L373 G374 W380 R381 I394 K395F357-A377 HydrophobicContact CZ-CB 4.1Å; L373-A377 WeakPolarHBondContact O-CB 3.35Å; L373-A377 PolarHBondContact O-N 2.67Å; G374-A377 PolarHBondContact O-N 2.97Å; A377-W380 PolarHBondContact O-N 2.87Å; A377-R381 PolarHBondContact O-N 3Å; A377-I394 HydrophobicContact CB-CB 4.16Å; A377-I394 HydrophobicContact CB-CG2 3.67Å; A377-K395 HydrophobicContact CB-CB 4.15Å
378L94.5Very high95.2Very high25 Ų2530.6 Ų30.613%0.13116%0.162CC..Hα-helixtrans-62.9-45.5173.6179.365000112A178 E182 G374 A375 I376 W380 R381 K395A178-L378 HydrophobicContact CB-CD1 3.91Å; E182-L378 HydrophobicContact CB-CD1 4.44Å; E182-L378 HydrophobicContact CB-CD2 4.04Å; E182-L378 HydrophobicContact CG-CD2 4.45Å; G374-L378 PolarHBondContact O-N 3.47Å; A375-L378 WeakPolarHBondContact O-CB 3.46Å; A375-L378 PolarHBondContact O-N 3.27Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 3.18Å; L378-W380 PolarHBondContact O-N 3.13Å; L378-R381 VanDerWaalsContact O-CB 3.23Å; L378-R381 WeakPolarHBondContact O-CB 3.32Å; L378-R381 PolarHBondContact O-N 3.45Å; L378-K395 HydrophobicContact CB-CD 4.19Å; L378-K395 HydrophobicContact CD1-CD 4.29Å
379M96.4Very high94.9Very high4 Ų434.7 Ų34.72%0.0217%0.165CC..Hα-helixtrans-59.6-30.4177.5-77.5-172.9-75.400112.6S154 M156 C184 D186 T188 A375 I376S154-M379 WeakPolarHBondContact CB-O 3.29Å; S154-M379 PolarHBondContact OG-O 2.99Å; M156-M379 HydrophobicContact CG-SD 4.42Å; C184-M379 WeakPolarHBondContact CB-O 3.37Å; D186-M379 HydrophobicContact CB-SD 4.48Å; D186-M379 PolarHBondContact N-SD 3.1Å; D186-M379 VanDerWaalsContact O-SD 3.4Å; T188-M379 HydrophobicContact CG2-CE 3.69Å; T188-M379 HydrophobicContact CG2-SD 4.21Å; A375-M379 WeakPolarHBondContact O-CG 3.47Å; A375-M379 PolarHBondContact O-N 3.37Å; I376-M379 HydrophobicContact CB-CE 4.37Å; I376-M379 HydrophobicContact CG1-CE 3.84Å; I376-M379 PolarHBondContact O-N 3.39Å
380W97.1Very high94.7Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-85.1-13.2177.2-62-13000113.1M156 V197 V200 H201 I204 F357 L360 I376 A377 L378 G382 C384 I386 R387 L391M156-W380 VanDerWaalsContact CE-CD1 3.47Å; M156-W380 VanDerWaalsContact CE-NE1 3.29Å; V197-W380 HydrophobicContact CG1-CZ2 3.63Å; V197-W380 WeakPolarHBondContact O-CZ2 3.43Å; V200-W380 HydrophobicContact CG1-CH2 4.25Å; H201-W380 HydrophobicContact CB-CH2 4.46Å; H201-W380 HydrophobicContact CB-CZ2 3.71Å; I204-W380 HydrophobicContact CD1-CH2 3.95Å; I204-W380 HydrophobicContact CD1-CZ3 3.64Å; F357-W380 HydrophobicContact CE2-CE3 4.21Å; F357-W380 AromaticContact CE2-CZ3 3.65Å; F357-W380 HydrophobicContact CE2-CZ3 3.65Å; F357-W380 HydrophobicContact CZ-CE3 4.28Å; F357-W380 AromaticContact CZ-CZ3 3.95Å; F357-W380 HydrophobicContact CZ-CZ3 3.95Å; L360-W380 HydrophobicContact CD1-CH2 3.78Å; L360-W380 HydrophobicContact CD1-CZ3 4.36Å; I376-W380 HydrophobicContact CG2-CD2 3.95Å; I376-W380 HydrophobicContact CG2-CE3 4.12Å; I376-W380 HydrophobicContact CG2-CH2 3.79Å; I376-W380 HydrophobicContact CG2-CZ2 3.54Å; I376-W380 HydrophobicContact CG2-CZ3 4.05Å; I376-W380 PolarHBondContact O-N 2.65Å; I376-W380 VanDerWaalsContact O-N 3.09Å; A377-W380 PolarHBondContact O-N 2.87Å; L378-W380 PolarHBondContact O-N 3.13Å; W380-G382 PolarHBondContact O-N 3.22Å; W380-C384 PolarHBondContact O-SG 3.38Å; W380-I386 HydrophobicContact CB-CD1 4.39Å; W380-I386 HydrophobicContact CB-CG1 4.4Å; W380-I386 HydrophobicContact CD2-CD1 4Å; W380-I386 HydrophobicContact CE3-CD1 3.85Å; W380-I386 HydrophobicContact CG-CD1 4.26Å; W380-I386 HydrophobicContact CZ3-CD1 4.4Å; W380-R387 WeakPolarHBondContact O-CA 3.4Å; W380-L391 VanDerWaalsContact C-CD1 3.46Å; W380-L391 HydrophobicContact CB-CD1 3.67Å; W380-L391 HydrophobicContact CB-CD2 3.84Å; W380-L391 HydrophobicContact CB-CG 4.41Å; W380-L391 HydrophobicContact CE3-CD2 4.11Å; W380-L391 WeakPolarHBondContact O-CD1 3.45Å
381R94.4Very high94.8Very high86 Ų8625.2 Ų25.233%0.32513%0.125SC..SBendtrans-64.1-25.8-172.9-169.1174.1177.2-172.34.6113.9A178 A377 L378 L391A178-R381 HydrophobicContact CB-CG 4.5Å; A377-R381 PolarHBondContact O-N 3Å; L378-R381 VanDerWaalsContact O-CB 3.23Å; L378-R381 WeakPolarHBondContact O-CB 3.32Å; L378-R381 PolarHBondContact O-N 3.45Å; R381-L391 HydrophobicContact CB-CB 4.45Å
382G93.4Very high94.6Very high9 Ų924.6 Ų24.69%0.09312%0.123CC..SBendtrans-142.9163.8177.900000111.6C184 W380 C384C184-G382 VanDerWaalsContact SG-CA 3.53Å; C184-G382 PolarHBondContact SG-N 3.33Å; C184-G382 VanDerWaalsContact SG-N 3.39Å; W380-G382 PolarHBondContact O-N 3.22Å; G382-C384 PolarHBondContact O-N 2.96Å
383G93.9Very high94.6Very high10 Ų1021 Ų2110%0.10310%0.104CC..SBendtrans71.5-34.2175.900000115.8G144 G152 A176G144-G383 WeakPolarHBondContact CA-O 3.33Å; G152-G383 WeakPolarHBondContact O-CA 3.46Å; A176-G383 VanDerWaalsContact CB-CA 3.47Å
384C96.4Very high94.7Very high0 Ų020.3 Ų20.30%010%0.101CC..SBendtrans-79.4171.2179.186.50000113.2S143 H201 W380 G382 I386 R387S143-C384 WeakPolarHBondContact OG-CA 3.44Å; S143-C384 WeakPolarHBondContact OG-CB 3.17Å; H201-C384 WeakPolarHBondContact NE2-CB 3.47Å; W380-C384 PolarHBondContact O-SG 3.38Å; G382-C384 PolarHBondContact O-N 2.96Å; C384-I386 VanDerWaalsContact SG-CG1 3.51Å; C384-R387 WeakPolarHBondContact O-CB 3.43Å; C384-R387 WeakPolarHBondContact O-CD 3.41Å; C384-R387 VanDerWaalsContact O-CG 3.26Å; C384-R387 WeakPolarHBondContact O-CG 3.5Å; C384-R387 PolarHBondContact O-NH1 3.26Å; C384-R387 VanDerWaalsContact O-NH1 3.11Å; C384-R387 PolarHBondContact SG-N 3.33Å; C384-R387 VanDerWaalsContact SG-N 3.42Å
385I96.1Very high94.7Very high26 Ų2622 Ų2213%0.13311%0.107CC..THydrogen-bonded Turntrans-71-39.4179.4-56.6-56.9000111.7S143 E205 Y245 L246 R387S143-I385 PolarHBondContact OG-N 2.82Å; E205-I385 HydrophobicContact CG-CB 4.3Å; E205-I385 HydrophobicContact CG-CG2 3.85Å; E205-I385 WeakPolarHBondContact OE2-CB 3.17Å; Y245-I385 HydrophobicContact CD1-CG2 4.23Å; Y245-I385 HydrophobicContact CE1-CD1 4.03Å; Y245-I385 HydrophobicContact CE1-CG2 4.43Å; L246-I385 HydrophobicContact CD1-CG2 4.45Å; L246-I385 HydrophobicContact CD2-CG2 3.71Å; L246-I385 HydrophobicContact CG-CG2 4.14Å; I385-R387 PolarHBondContact O-N 2.86Å
386I97.2Very high94.8Very high1 Ų125.6 Ų25.61%0.00512%0.121CC..THydrogen-bonded Turntrans-82.111.4-179.370.1174.7000113.6I204 E205 Y353 W380 C384 S388 L391I204-I386 HydrophobicContact CB-CD1 4.33Å; I204-I386 HydrophobicContact CG2-CD1 4.01Å; I204-I386 HydrophobicContact CG2-CG2 4.48Å; E205-I386 HydrophobicContact CB-CG2 3.64Å; E205-I386 HydrophobicContact CG-CG2 4.16Å; Y353-I386 HydrophobicContact CE1-CD1 4.24Å; Y353-I386 PolarHBondContact OH-O 3.39Å; W380-I386 HydrophobicContact CB-CD1 4.39Å; W380-I386 HydrophobicContact CB-CG1 4.4Å; W380-I386 HydrophobicContact CD2-CD1 4Å; W380-I386 HydrophobicContact CE3-CD1 3.85Å; W380-I386 HydrophobicContact CG-CD1 4.26Å; W380-I386 HydrophobicContact CZ3-CD1 4.4Å; C384-I386 VanDerWaalsContact SG-CG1 3.51Å; I386-S388 PolarHBondContact O-N 3.37Å; I386-S388 PolarHBondContact O-OG 3.35Å; I386-L391 HydrophobicContact CG1-CD1 4.47Å; I386-L391 WeakPolarHBondContact O-CD1 3.42Å
387R95Very high94.8Very high63 Ų6325.6 Ų25.624%0.23812%0.121CC..  trans-58.2135.1-178.672.3-179.6-176.6-81.64.8110.6S244 Y245 W380 C384 I385S244-R387 WeakPolarHBondContact CA-O 3.4Å; S244-R387 WeakPolarHBondContact CB-O 3.47Å; Y245-R387 VanDerWaalsContact CB-CZ 3.45Å; Y245-R387 VanDerWaalsContact CE2-NH2 3.31Å; Y245-R387 PolarHBondContact N-O 3.33Å; W380-R387 WeakPolarHBondContact O-CA 3.4Å; C384-R387 WeakPolarHBondContact O-CB 3.43Å; C384-R387 WeakPolarHBondContact O-CD 3.41Å; C384-R387 VanDerWaalsContact O-CG 3.26Å; C384-R387 WeakPolarHBondContact O-CG 3.5Å; C384-R387 PolarHBondContact O-NH1 3.26Å; C384-R387 VanDerWaalsContact O-NH1 3.11Å; C384-R387 PolarHBondContact SG-N 3.33Å; C384-R387 VanDerWaalsContact SG-N 3.42Å; I385-R387 PolarHBondContact O-N 2.86Å
388S93.4Very high94.9Very high6 Ų626 Ų264%0.04212%0.122CC..BIsolated β-bridgetrans-167.4155-172.152.70000111.3E243 I386 F390 L391E243-S388 WeakPolarHBondContact O-CA 3.48Å; E243-S388 VanDerWaalsContact O-CB 3.28Å; E243-S388 WeakPolarHBondContact O-CB 3.5Å; I386-S388 PolarHBondContact O-N 3.37Å; I386-S388 PolarHBondContact O-OG 3.35Å; S388-F390 PolarHBondContact O-N 2.8Å; S388-L391 PolarHBondContact O-N 3.17Å
389K88.6Confident94.9Very high134 Ų13429 Ų2958%0.58314%0.139SC*.THydrogen-bonded Turntrans-53.7-33.2166.2-171.5174.5-177.5178.40112.3E243 L391 G392E243-K389 HydrophobicContact CB-CB 4.36Å; E243-K389 PolarHBondContact O-N 3.11Å; E243-K389 WeakPolarHBondContact OE2-CB 3.38Å; E243-K389 PolarHBondContact OE2-N 3.45Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 2.99Å; K389-G392 PolarHBondContact O-N 3.45Å
390F90.9Very high94.9Very high3 Ų335.6 Ų35.61%0.01317%0.167CC..Hα-helixtrans-53-38.7179.5-178.2-108.3000113.9Y346 I350 Y353 S388 G392 N393 I394 F413Y346-F390 AromaticContact CE2-CD2 3.7Å; Y346-F390 HydrophobicContact CE2-CD2 3.7Å; Y346-F390 AromaticContact CE2-CE2 3.96Å; Y346-F390 HydrophobicContact CE2-CE2 3.96Å; I350-F390 HydrophobicContact CB-CZ 4.29Å; I350-F390 HydrophobicContact CD1-CE2 4.31Å; I350-F390 HydrophobicContact CG1-CE2 3.45Å; I350-F390 VanDerWaalsContact CG1-CE2 3.45Å; I350-F390 HydrophobicContact CG1-CZ 3.59Å; Y353-F390 HydrophobicContact CD1-CD1 4.26Å; Y353-F390 AromaticContact CD1-CE1 3.87Å; Y353-F390 HydrophobicContact CD1-CE1 3.87Å; Y353-F390 HydrophobicContact CD2-CD1 4.26Å; Y353-F390 AromaticContact CD2-CE1 3.68Å; Y353-F390 HydrophobicContact CD2-CE1 3.68Å; Y353-F390 HydrophobicContact CE1-CD1 4.15Å; Y353-F390 HydrophobicContact CE1-CE1 4.21Å; Y353-F390 HydrophobicContact CE2-CD1 4.14Å; Y353-F390 HydrophobicContact CE2-CE1 4.03Å; Y353-F390 HydrophobicContact CG-CD1 4.28Å; Y353-F390 AromaticContact CG-CE1 3.55Å; Y353-F390 HydrophobicContact CG-CE1 3.55Å; S388-F390 PolarHBondContact O-N 2.8Å; F390-G392 PolarHBondContact O-N 3.48Å; F390-N393 WeakPolarHBondContact O-CB 3.32Å; F390-N393 PolarHBondContact O-N 3.38Å; F390-N393 VanDerWaalsContact O-N 3.11Å; F390-I394 HydrophobicContact CD1-CD1 4.02Å; F390-I394 HydrophobicContact CE1-CD1 3.55Å; F390-I394 HydrophobicContact CE1-CG1 4.2Å; F390-I394 HydrophobicContact CZ-CD1 4.22Å; F390-I394 PolarHBondContact O-N 2.95Å; F390-F413 HydrophobicContact CD2-CE1 4.25Å; F390-F413 HydrophobicContact CE2-CD1 4.01Å; F390-F413 AromaticContact CE2-CE1 3.41Å; F390-F413 HydrophobicContact CE2-CE1 3.41Å; F390-F413 VanDerWaalsContact CE2-CE1 3.41Å; F390-F413 HydrophobicContact CE2-CZ 4.44Å; F390-F413 HydrophobicContact CZ-CD1 4.25Å; F390-F413 AromaticContact CZ-CE1 3.64Å; F390-F413 HydrophobicContact CZ-CE1 3.64Å; F390-F413 HydrophobicContact CZ-CZ 4.44Å
391L94Very high94.9Very high0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-66.3-24.4179.3-78.4159.1000113.8Y353 W380 R381 I386 S388 K389 N393 I394 K395Y353-L391 HydrophobicContact CD1-CD2 4.36Å; Y353-L391 HydrophobicContact CE1-CD2 3.77Å; Y353-L391 HydrophobicContact CE1-CG 4.18Å; W380-L391 VanDerWaalsContact C-CD1 3.46Å; W380-L391 HydrophobicContact CB-CD1 3.67Å; W380-L391 HydrophobicContact CB-CD2 3.84Å; W380-L391 HydrophobicContact CB-CG 4.41Å; W380-L391 HydrophobicContact CE3-CD2 4.11Å; W380-L391 WeakPolarHBondContact O-CD1 3.45Å; R381-L391 HydrophobicContact CB-CB 4.45Å; I386-L391 HydrophobicContact CG1-CD1 4.47Å; I386-L391 WeakPolarHBondContact O-CD1 3.42Å; S388-L391 PolarHBondContact O-N 3.17Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 2.99Å; L391-N393 VanDerWaalsContact C-N 3.33Å; L391-I394 HydrophobicContact CD2-CD1 4.31Å; L391-I394 PolarHBondContact O-N 2.63Å; L391-K395 PolarHBondContact O-N 3.36Å; L391-K395 VanDerWaalsContact O-N 3.07Å
392G92.7Very high94.9Very high7 Ų739.4 Ų39.47%0.07220%0.199CC..Hα-helixtrans-61.7-42.6171.100000111.8K389 F390 I394 K395 E396K389-G392 PolarHBondContact O-N 3.45Å; F390-G392 PolarHBondContact O-N 3.48Å; G392-I394 VanDerWaalsContact C-N 3.32Å; G392-I394 PolarHBondContact O-N 3.14Å; G392-K395 PolarHBondContact O-N 3.26Å; G392-E396 WeakPolarHBondContact O-CG 3.44Å; G392-E396 PolarHBondContact O-N 3.45Å
393N94.9Very high94.9Very high30 Ų3045.9 Ų45.916%0.1623%0.232CC..Hα-helixtrans-66.4-35.4178.7-54.1-53.8000111.8F390 L391 E396 A397 F412 F413F390-N393 WeakPolarHBondContact O-CB 3.32Å; F390-N393 PolarHBondContact O-N 3.38Å; F390-N393 VanDerWaalsContact O-N 3.11Å; L391-N393 VanDerWaalsContact C-N 3.33Å; N393-E396 PolarHBondContact O-N 3.29Å; N393-A397 PolarHBondContact O-N 3.1Å; N393-F412 HydrophobicContact CB-CD1 3.83Å; N393-F412 HydrophobicContact CB-CE1 3.57Å; N393-F412 HydrophobicContact CB-CZ 4.16Å; N393-F412 VanDerWaalsContact CG-CE1 3.48Å; N393-F412 WeakPolarHBondContact ND2-CZ 3.49Å; N393-F413 HydrophobicContact CB-CE1 4.15Å; N393-F413 HydrophobicContact CB-CZ 3.81Å
394I97Very high95Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-65.2-45.4175.7-66.7179.7000110.2Y353 F357 A377 F390 L391 G392 E396 A397 Y398 L407 F413Y353-I394 HydrophobicContact CD1-CD1 3.41Å; Y353-I394 VanDerWaalsContact CD1-CD1 3.41Å; Y353-I394 HydrophobicContact CE1-CD1 4.17Å; Y353-I394 HydrophobicContact CG-CD1 3.96Å; F357-I394 HydrophobicContact CD1-CG2 4.49Å; F357-I394 HydrophobicContact CE1-CG2 3.84Å; F357-I394 HydrophobicContact CE2-CD1 4.1Å; F357-I394 HydrophobicContact CE2-CG2 3.96Å; F357-I394 HydrophobicContact CZ-CG2 3.55Å; A377-I394 HydrophobicContact CB-CB 4.16Å; A377-I394 HydrophobicContact CB-CG2 3.67Å; F390-I394 HydrophobicContact CD1-CD1 4.02Å; F390-I394 HydrophobicContact CE1-CD1 3.55Å; F390-I394 HydrophobicContact CE1-CG1 4.2Å; F390-I394 HydrophobicContact CZ-CD1 4.22Å; F390-I394 PolarHBondContact O-N 2.95Å; L391-I394 HydrophobicContact CD2-CD1 4.31Å; L391-I394 PolarHBondContact O-N 2.63Å; G392-I394 VanDerWaalsContact C-N 3.32Å; G392-I394 PolarHBondContact O-N 3.14Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.01Å; I394-A397 PolarHBondContact O-N 3.25Å; I394-Y398 HydrophobicContact CG2-CD2 3.89Å; I394-Y398 HydrophobicContact CG2-CE2 3.9Å; I394-Y398 WeakPolarHBondContact O-CD2 3.3Å; I394-Y398 PolarHBondContact O-N 2.96Å; I394-Y398 VanDerWaalsContact O-N 3.14Å; I394-L407 HydrophobicContact CD1-CD1 3.97Å; I394-L407 HydrophobicContact CG1-CD1 4.09Å; I394-L407 HydrophobicContact CG1-CD2 4.32Å; I394-L407 HydrophobicContact CG2-CD1 4.22Å; I394-L407 HydrophobicContact CG2-CD2 4.05Å; I394-F413 HydrophobicContact CB-CZ 4.38Å; I394-F413 HydrophobicContact CG1-CE1 4.32Å; I394-F413 HydrophobicContact CG1-CE2 4.24Å; I394-F413 HydrophobicContact CG1-CZ 3.54Å
395K95.4Very high94.8Very high37 Ų3749.6 Ų49.616%0.16126%0.255CS..Hα-helixtrans-57.1-49.3175.2-171.9-166.2-177.2-50.50110.5A377 L378 L391 G392 A397 Y398 D399A377-K395 HydrophobicContact CB-CB 4.15Å; L378-K395 HydrophobicContact CB-CD 4.19Å; L378-K395 HydrophobicContact CD1-CD 4.29Å; L391-K395 PolarHBondContact O-N 3.36Å; L391-K395 VanDerWaalsContact O-N 3.07Å; G392-K395 PolarHBondContact O-N 3.26Å; K395-A397 VanDerWaalsContact C-N 3.29Å; K395-A397 PolarHBondContact O-N 3.34Å; K395-Y398 PolarHBondContact O-N 2.87Å; K395-D399 IonicContact NZ-OD1 3.05Å; K395-D399 PolarHBondContact NZ-OD1 3.41Å; K395-D399 IonicContact NZ-OD2 3.78Å; K395-D399 PolarHBondContact NZ-OD2 3.29Å; K395-D399 WeakPolarHBondContact O-CB 3.46Å; K395-D399 VanDerWaalsContact O-CG 3.22Å; K395-D399 PolarHBondContact O-N 2.94Å
396E95.9Very high94.9Very high96 Ų9648.8 Ų48.845%0.44925%0.251SS..Hα-helixtrans-60-37179.1-72.8178.3-157.300113.1G392 N393 I394 K400G392-E396 WeakPolarHBondContact O-CG 3.44Å; G392-E396 PolarHBondContact O-N 3.45Å; N393-E396 PolarHBondContact O-N 3.29Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.01Å; E396-K400 WeakPolarHBondContact O-CB 3.16Å; E396-K400 WeakPolarHBondContact O-CD 3.47Å; E396-K400 WeakPolarHBondContact O-CG 3.47Å; E396-K400 PolarHBondContact O-N 2.93Å; E396-K400 IonicContact OE2-NZ 3.88Å
397A97.8Very high94.9Very high1 Ų148.8 Ų48.81%0.00825%0.251CS..Hα-helixtrans-62.8-45.8176.300000111.6N393 I394 K395 K400 N401 L404 L407 D410 F413N393-A397 PolarHBondContact O-N 3.1Å; I394-A397 PolarHBondContact O-N 3.25Å; K395-A397 VanDerWaalsContact C-N 3.29Å; K395-A397 PolarHBondContact O-N 3.34Å; A397-K400 PolarHBondContact O-N 3.43Å; A397-N401 PolarHBondContact O-N 3.45Å; A397-L404 HydrophobicContact CB-CD2 4.14Å; A397-L407 HydrophobicContact CB-CD2 4.27Å; A397-D410 HydrophobicContact CB-CB 3.97Å; A397-D410 WeakPolarHBondContact CB-OD2 3.27Å; A397-F413 HydrophobicContact CB-CE2 3.95Å
398Y96.9Very high95.1Very high7 Ų746.6 Ų46.63%0.02724%0.244CC..Hα-helixtrans-75.5-28.8177.4-75-64.6000113.8F357 Q361 L373 I394 K395 K400 N401 P402 L404 L407F357-Y398 HydrophobicContact CD1-CD2 4.31Å; F357-Y398 AromaticContact CD1-CE2 3.34Å; F357-Y398 HydrophobicContact CD1-CE2 3.34Å; F357-Y398 AromaticContact CD1-CZ 3.79Å; F357-Y398 HydrophobicContact CE1-CD2 4.2Å; F357-Y398 AromaticContact CE1-CE2 3.64Å; F357-Y398 HydrophobicContact CE1-CE2 3.64Å; F357-Y398 HydrophobicContact CG-CE2 4.15Å; Q361-Y398 PolarHBondContact NE2-OH 2.76Å; L373-Y398 HydrophobicContact CB-CD1 4.04Å; L373-Y398 HydrophobicContact CB-CD2 3.92Å; L373-Y398 HydrophobicContact CB-CE1 4.09Å; L373-Y398 HydrophobicContact CB-CE2 3.95Å; L373-Y398 HydrophobicContact CB-CG 3.96Å; L373-Y398 HydrophobicContact CD1-CD1 4.1Å; L373-Y398 HydrophobicContact CD1-CE1 3.48Å; L373-Y398 VanDerWaalsContact CD1-CE1 3.48Å; L373-Y398 HydrophobicContact CD1-CE2 4.37Å; L373-Y398 HydrophobicContact CG-CE1 4.45Å; I394-Y398 HydrophobicContact CG2-CD2 3.89Å; I394-Y398 HydrophobicContact CG2-CE2 3.9Å; I394-Y398 WeakPolarHBondContact O-CD2 3.3Å; I394-Y398 PolarHBondContact O-N 2.96Å; I394-Y398 VanDerWaalsContact O-N 3.14Å; K395-Y398 PolarHBondContact O-N 2.87Å; Y398-K400 VanDerWaalsContact C-N 3.32Å; Y398-N401 CarbonylContact O-C 3.58Å; Y398-P402 VanDerWaalsContact O-CA 3.29Å; Y398-P402 WeakPolarHBondContact O-CA 3.47Å; Y398-P402 WeakPolarHBondContact O-CD 3.36Å; Y398-P402 WeakPolarHBondContact O-CG 3.42Å; Y398-L404 HydrophobicContact CD1-CB 4.18Å; Y398-L404 HydrophobicContact CE1-CB 3.93Å; Y398-L404 HydrophobicContact CE1-CD2 4.43Å; Y398-L407 HydrophobicContact CD2-CD2 4.37Å; Y398-L407 HydrophobicContact CE2-CD2 3.7Å; Y398-L407 HydrophobicContact CE2-CG 4.25Å
399D95.2Very high95.3Very high90 Ų9051.8 Ų51.848%0.48127%0.27SS..Hα-helixtrans-63-41.4170.7-71.7-14.6000110.5K395K395-D399 IonicContact NZ-OD1 3.05Å; K395-D399 PolarHBondContact NZ-OD1 3.41Å; K395-D399 IonicContact NZ-OD2 3.78Å; K395-D399 PolarHBondContact NZ-OD2 3.29Å; K395-D399 WeakPolarHBondContact O-CB 3.46Å; K395-D399 VanDerWaalsContact O-CG 3.22Å; K395-D399 PolarHBondContact O-N 2.94Å
400K96.8Very high95.7Very high142 Ų14245.9 Ų45.962%0.61725%0.245SC*.Hα-helixtrans-71.1-42.1177.4-71.3165.9-1681610112.2E396 A397 Y398E396-K400 WeakPolarHBondContact O-CB 3.16Å; E396-K400 WeakPolarHBondContact O-CD 3.47Å; E396-K400 WeakPolarHBondContact O-CG 3.47Å; E396-K400 PolarHBondContact O-N 2.93Å; E396-K400 IonicContact OE2-NZ 3.88Å; A397-K400 PolarHBondContact O-N 3.43Å; Y398-K400 VanDerWaalsContact C-N 3.32Å
401N96.9Very high96.1Very high73 Ų7350.6 Ų50.639%0.3928%0.276SS..  trans-13993178.8-177.59.1000111.1A397 Y398 N403 L404A397-N401 PolarHBondContact O-N 3.45Å; Y398-N401 CarbonylContact O-C 3.58Å; N401-N403 PolarHBondContact O-N 3.26Å; N401-N403 VanDerWaalsContact O-N 3.09Å; N401-N403 PolarHBondContact OD1-N 3.01Å; N401-N403 VanDerWaalsContact OD1-N 3.1Å; N401-L404 HydrophobicContact CB-CB 4.24Å; N401-L404 VanDerWaalsContact O-CB 3.27Å; N401-L404 WeakPolarHBondContact O-CB 3.45Å; N401-L404 PolarHBondContact O-N 3Å; N401-L404 PolarHBondContact OD1-N 3.05Å
402P93.7Very high96.3Very high93 Ų9354 Ų5460%0.60429%0.291SS*.THydrogen-bonded Turntrans-61.8-19.8178.1-25.934.8000114.2Y398Y398-P402 VanDerWaalsContact O-CA 3.29Å; Y398-P402 WeakPolarHBondContact O-CA 3.47Å; Y398-P402 WeakPolarHBondContact O-CD 3.36Å; Y398-P402 WeakPolarHBondContact O-CG 3.42Å
403N93.4Very high96.5Very high145 Ų14553.7 Ų53.778%0.77529%0.288SS*.THydrogen-bonded Turntrans-102.219.6179.1-59.6-46.6000112.3N401 S405N401-N403 PolarHBondContact O-N 3.26Å; N401-N403 VanDerWaalsContact O-N 3.09Å; N401-N403 PolarHBondContact OD1-N 3.01Å; N401-N403 VanDerWaalsContact OD1-N 3.1Å; N403-S405 PolarHBondContact O-N 3.05Å; N403-S405 VanDerWaalsContact O-N 3.13Å
404L96.3Very high96.7Very high10 Ų1057.4 Ų57.45%0.05230%0.302CS..  trans-58.2116.5176.6-179.467.6000110Q361 A397 Y398 N401 N406 L407 L409 D410Q361-L404 PolarHBondContact NE2-O 2.96Å; A397-L404 HydrophobicContact CB-CD2 4.14Å; Y398-L404 HydrophobicContact CD1-CB 4.18Å; Y398-L404 HydrophobicContact CE1-CB 3.93Å; Y398-L404 HydrophobicContact CE1-CD2 4.43Å; N401-L404 HydrophobicContact CB-CB 4.24Å; N401-L404 VanDerWaalsContact O-CB 3.27Å; N401-L404 WeakPolarHBondContact O-CB 3.45Å; N401-L404 PolarHBondContact O-N 3Å; N401-L404 PolarHBondContact OD1-N 3.05Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 WeakPolarHBondContact CD1-O 3.49Å; L404-N406 WeakPolarHBondContact CG-O 3.32Å; L404-N406 PolarHBondContact O-N 3.02Å; L404-L407 HydrophobicContact CD2-CD2 4.16Å; L404-L409 HydrophobicContact CD1-CB 4.14Å; L404-D410 HydrophobicContact CD1-CB 4.47Å; L404-D410 HydrophobicContact CD2-CB 3.85Å
405S93.4Very high96.7Very high77 Ų7763.4 Ų63.454%0.53833%0.328SS..SBendtrans-72.4-26.3-176.354.90000113.7Q361 N403 L409Q361-S405 PolarHBondContact OE1-O 2.91Å; Q361-S405 VanDerWaalsContact OE1-O 3.13Å; N403-S405 PolarHBondContact O-N 3.05Å; N403-S405 VanDerWaalsContact O-N 3.13Å; S405-L409 WeakPolarHBondContact OG-CD1 3.44Å
406N97.3Very high96.9Very high9 Ų962.2 Ų62.25%0.04832%0.324CS..  trans-156.6140176.3-165.3-70000110.6M358 L404 L408 L409M358-N406 PolarHBondContact SD-ND2 3.41Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 WeakPolarHBondContact CD1-O 3.49Å; L404-N406 WeakPolarHBondContact CG-O 3.32Å; L404-N406 PolarHBondContact O-N 3.02Å; N406-L408 PolarHBondContact O-N 2.96Å; N406-L408 WeakPolarHBondContact OD1-CB 3.34Å; N406-L408 WeakPolarHBondContact OD1-CG 3.41Å; N406-L408 PolarHBondContact OD1-N 3.45Å; N406-L409 HydrophobicContact CB-CD1 4.33Å; N406-L409 HydrophobicContact CB-CG 4.23Å; N406-L409 WeakPolarHBondContact O-CB 3.48Å; N406-L409 PolarHBondContact O-N 3.29Å
407L97.8Very high97Very high1 Ų157.7 Ų57.71%0.00530%0.303CS..G310 helixtrans-58.6-31178.2-76171.6000113.1A354 F357 I394 A397 Y398 L404 L409 D410 F413A354-L407 HydrophobicContact CB-CB 4.1Å; F357-L407 HydrophobicContact CB-CD1 4.11Å; F357-L407 HydrophobicContact CD2-CD1 3.92Å; F357-L407 HydrophobicContact CG-CD1 4Å; I394-L407 HydrophobicContact CD1-CD1 3.97Å; I394-L407 HydrophobicContact CG1-CD1 4.09Å; I394-L407 HydrophobicContact CG1-CD2 4.32Å; I394-L407 HydrophobicContact CG2-CD1 4.22Å; I394-L407 HydrophobicContact CG2-CD2 4.05Å; A397-L407 HydrophobicContact CB-CD2 4.27Å; Y398-L407 HydrophobicContact CD2-CD2 4.37Å; Y398-L407 HydrophobicContact CE2-CD2 3.7Å; Y398-L407 HydrophobicContact CE2-CG 4.25Å; L404-L407 HydrophobicContact CD2-CD2 4.16Å; L407-L409 PolarHBondContact O-N 3.07Å; L407-L409 VanDerWaalsContact O-N 3.13Å; L407-D410 PolarHBondContact O-N 3.18Å; L407-D410 VanDerWaalsContact O-N 3.14Å; L407-F413 HydrophobicContact CB-CD2 4.23Å; L407-F413 HydrophobicContact CD2-CD2 4.15Å; L407-F413 HydrophobicContact CD2-CE2 3.69Å; L407-F413 HydrophobicContact CD2-CZ 4.46Å; L407-F413 WeakPolarHBondContact O-CB 3.26Å; L407-F413 VanDerWaalsContact O-CD2 3.3Å; L407-F413 WeakPolarHBondContact O-CD2 3.31Å
408L97.8Very high97Very high18 Ų1861.4 Ų61.49%0.09432%0.323CS..G310 helixtrans-64.2-16.2177.6-64.6172.3000113.7I350 V351 A354 N406 I417 F447 Y448 I451I350-L408 HydrophobicContact CG2-CD2 3.71Å; V351-L408 HydrophobicContact CG2-CD2 4.46Å; A354-L408 HydrophobicContact CB-CD1 4.47Å; A354-L408 HydrophobicContact CB-CG 4.06Å; N406-L408 PolarHBondContact O-N 2.96Å; N406-L408 WeakPolarHBondContact OD1-CB 3.34Å; N406-L408 WeakPolarHBondContact OD1-CG 3.41Å; N406-L408 PolarHBondContact OD1-N 3.45Å; L408-I417 HydrophobicContact CD2-CD1 4.3Å; L408-I417 HydrophobicContact CD2-CG1 4.03Å; L408-F447 HydrophobicContact CD1-CE1 4.12Å; L408-Y448 HydrophobicContact CD1-CD2 4.32Å; L408-I451 HydrophobicContact CD1-CG2 4Å
409L97.8Very high97.1Very high114 Ų11466.2 Ų66.260%0.59735%0.346SS*.G310 helixtrans-91.2-10.8178.8-56.7-179.6000113.2L404 S405 N406 L407L404-L409 HydrophobicContact CD1-CB 4.14Å; S405-L409 WeakPolarHBondContact OG-CD1 3.44Å; N406-L409 HydrophobicContact CB-CD1 4.33Å; N406-L409 HydrophobicContact CB-CG 4.23Å; N406-L409 WeakPolarHBondContact O-CB 3.48Å; N406-L409 PolarHBondContact O-N 3.29Å; L407-L409 PolarHBondContact O-N 3.07Å; L407-L409 VanDerWaalsContact O-N 3.13Å
410D98.3Very high97.2Very high10 Ų1062 Ų625%0.05332%0.323CS..SBendtrans-72.1139.1173.3165.9-81.9000110.5A397 L404 L407 F412 F413 K414A397-D410 HydrophobicContact CB-CB 3.97Å; A397-D410 WeakPolarHBondContact CB-OD2 3.27Å; L404-D410 HydrophobicContact CD1-CB 4.47Å; L404-D410 HydrophobicContact CD2-CB 3.85Å; L407-D410 PolarHBondContact O-N 3.18Å; L407-D410 VanDerWaalsContact O-N 3.14Å; D410-F412 VanDerWaalsContact C-N 3.27Å; D410-F412 PolarHBondContact O-N 2.94Å; D410-F412 WeakPolarHBondContact OD1-CA 3.39Å; D410-F412 VanDerWaalsContact OD1-CB 3.27Å; D410-F412 WeakPolarHBondContact OD1-CB 3.4Å; D410-F412 PolarHBondContact OD1-N 3.06Å; D410-F413 HydrophobicContact CB-CD2 3.97Å; D410-F413 PolarHBondContact O-N 3.39Å; D410-F413 PolarHBondContact OD1-N 2.98Å; D410-K414 WeakPolarHBondContact O-CB 3.48Å; D410-K414 PolarHBondContact O-N 2.95Å
411P98Very high97.3Very high102 Ų10257 Ų5766%0.66230%0.302SS*.Hα-helixtrans-56.9-32.9-175.5-28.635.8000115.4K415P411-K415 WeakPolarHBondContact O-CB 3.48Å; P411-K415 PolarHBondContact O-N 3.16Å
412F97.9Very high97.4Very high73 Ų7358.7 Ų58.732%0.3231%0.311SS..Hα-helixtrans-68.9-52.2178.9170.1-92.5000110.4N393 D410 K414 K415 V416N393-F412 HydrophobicContact CB-CD1 3.83Å; N393-F412 HydrophobicContact CB-CE1 3.57Å; N393-F412 HydrophobicContact CB-CZ 4.16Å; N393-F412 VanDerWaalsContact CG-CE1 3.48Å; N393-F412 WeakPolarHBondContact ND2-CZ 3.49Å; D410-F412 VanDerWaalsContact C-N 3.27Å; D410-F412 PolarHBondContact O-N 2.94Å; D410-F412 WeakPolarHBondContact OD1-CA 3.39Å; D410-F412 VanDerWaalsContact OD1-CB 3.27Å; D410-F412 WeakPolarHBondContact OD1-CB 3.4Å; D410-F412 PolarHBondContact OD1-N 3.06Å; F412-K414 PolarHBondContact O-N 3.04Å; F412-K415 PolarHBondContact O-N 3.48Å; F412-V416 HydrophobicContact CE1-CG2 4.1Å; F412-V416 HydrophobicContact CE2-CG2 4.33Å; F412-V416 HydrophobicContact CZ-CG2 3.99Å; F412-V416 WeakPolarHBondContact O-CG2 3.4Å; F412-V416 PolarHBondContact O-N 3.18Å; F412-V416 VanDerWaalsContact O-N 3.1Å
413F98.1Very high97.6Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-66.6-38.8-178.3-63.9-63.4000111.9I350 F390 N393 I394 A397 L407 D410 K415 V416 I417I350-F413 HydrophobicContact CD1-CD1 4.19Å; I350-F413 HydrophobicContact CG1-CD1 4.03Å; I350-F413 HydrophobicContact CG2-CB 4.17Å; I350-F413 HydrophobicContact CG2-CD1 4.07Å; I350-F413 HydrophobicContact CG2-CG 4.36Å; F390-F413 HydrophobicContact CD2-CE1 4.25Å; F390-F413 HydrophobicContact CE2-CD1 4.01Å; F390-F413 AromaticContact CE2-CE1 3.41Å; F390-F413 HydrophobicContact CE2-CE1 3.41Å; F390-F413 VanDerWaalsContact CE2-CE1 3.41Å; F390-F413 HydrophobicContact CE2-CZ 4.44Å; F390-F413 HydrophobicContact CZ-CD1 4.25Å; F390-F413 AromaticContact CZ-CE1 3.64Å; F390-F413 HydrophobicContact CZ-CE1 3.64Å; F390-F413 HydrophobicContact CZ-CZ 4.44Å; N393-F413 HydrophobicContact CB-CE1 4.15Å; N393-F413 HydrophobicContact CB-CZ 3.81Å; I394-F413 HydrophobicContact CB-CZ 4.38Å; I394-F413 HydrophobicContact CG1-CE1 4.32Å; I394-F413 HydrophobicContact CG1-CE2 4.24Å; I394-F413 HydrophobicContact CG1-CZ 3.54Å; A397-F413 HydrophobicContact CB-CE2 3.95Å; L407-F413 HydrophobicContact CB-CD2 4.23Å; L407-F413 HydrophobicContact CD2-CD2 4.15Å; L407-F413 HydrophobicContact CD2-CE2 3.69Å; L407-F413 HydrophobicContact CD2-CZ 4.46Å; L407-F413 WeakPolarHBondContact O-CB 3.26Å; L407-F413 VanDerWaalsContact O-CD2 3.3Å; L407-F413 WeakPolarHBondContact O-CD2 3.31Å; D410-F413 HydrophobicContact CB-CD2 3.97Å; D410-F413 PolarHBondContact O-N 3.39Å; D410-F413 PolarHBondContact OD1-N 2.98Å; F413-K415 VanDerWaalsContact C-N 3.34Å; F413-K415 PolarHBondContact O-N 3.23Å; F413-V416 PolarHBondContact O-N 2.87Å; F413-I417 WeakPolarHBondContact O-CG1 3.36Å; F413-I417 PolarHBondContact O-N 3.26Å
414K98Very high97.9Very high107 Ų10747.3 Ų47.347%0.46525%0.245SC..Hα-helixtrans-54.8-51173.2-174.4-164.2175.3-59.30111.1D410 F412 V416 I417 D418D410-K414 WeakPolarHBondContact O-CB 3.48Å; D410-K414 PolarHBondContact O-N 2.95Å; F412-K414 PolarHBondContact O-N 3.04Å; K414-V416 VanDerWaalsContact C-N 3.32Å; K414-V416 PolarHBondContact O-N 3.07Å; K414-I417 PolarHBondContact O-N 3.12Å; K414-D418 IonicContact NZ-OD1 3.33Å; K414-D418 PolarHBondContact NZ-OD1 3.12Å; K414-D418 IonicContact NZ-OD2 3.6Å; K414-D418 PolarHBondContact NZ-OD2 3.17Å; K414-D418 PolarHBondContact O-N 3.25Å
415K98.4Very high98Very high126 Ų12650.4 Ų50.455%0.54826%0.256SS..Hα-helixtrans-58.5-44.8-179.9179.1-178171-176.50111.7P411 F412 F413 I417 D418 E419P411-K415 WeakPolarHBondContact O-CB 3.48Å; P411-K415 PolarHBondContact O-N 3.16Å; F412-K415 PolarHBondContact O-N 3.48Å; F413-K415 VanDerWaalsContact C-N 3.34Å; F413-K415 PolarHBondContact O-N 3.23Å; K415-I417 VanDerWaalsContact C-N 3.34Å; K415-I417 PolarHBondContact O-N 2.62Å; K415-D418 PolarHBondContact O-N 2.95Å; K415-E419 WeakPolarHBondContact CE-OE1 3.26Å; K415-E419 IonicContact NZ-OE1 2.69Å; K415-E419 WeakPolarHBondContact O-CG 3.14Å; K415-E419 PolarHBondContact O-N 3.09Å; K415-E419 VanDerWaalsContact O-N 3.12Å
416V98.1Very high98.2Very high12 Ų1250.6 Ų50.67%0.07325%0.245CC..Hα-helixtrans-62.2-43.4178.9172.80000111.4Y346 I350 F412 F413 K414 E419 C420Y346-V416 HydrophobicContact CD1-CG1 3.46Å; Y346-V416 VanDerWaalsContact CD1-CG1 3.46Å; Y346-V416 HydrophobicContact CE1-CB 4.34Å; Y346-V416 HydrophobicContact CE1-CG1 3.21Å; Y346-V416 HydrophobicContact CE1-CG2 4.15Å; Y346-V416 HydrophobicContact CG-CG1 4.35Å; I350-V416 HydrophobicContact CD1-CB 3.93Å; I350-V416 HydrophobicContact CD1-CG1 3.4Å; F412-V416 HydrophobicContact CE1-CG2 4.1Å; F412-V416 HydrophobicContact CE2-CG2 4.33Å; F412-V416 HydrophobicContact CZ-CG2 3.99Å; F412-V416 WeakPolarHBondContact O-CG2 3.4Å; F412-V416 PolarHBondContact O-N 3.18Å; F412-V416 VanDerWaalsContact O-N 3.1Å; F413-V416 PolarHBondContact O-N 2.87Å; K414-V416 VanDerWaalsContact C-N 3.32Å; K414-V416 PolarHBondContact O-N 3.07Å; V416-E419 PolarHBondContact O-N 2.96Å; V416-C420 WeakPolarHBondContact O-CB 3.44Å; V416-C420 PolarHBondContact O-N 2.95Å; V416-C420 PolarHBondContact O-SG 3.26Å
417I98.3Very high98.3Very high2 Ų250.2 Ų50.21%0.0124%0.243CC..Hα-helixtrans-61.6-46.2177.3-68.5-68.5000110.6A347 I350 L408 F413 K414 K415 E419 C420 E421 Y448A347-I417 HydrophobicContact CB-CD1 3.77Å; I350-I417 HydrophobicContact CB-CD1 4.15Å; I350-I417 HydrophobicContact CD1-CD1 4.19Å; I350-I417 HydrophobicContact CD1-CG1 4.41Å; I350-I417 HydrophobicContact CG2-CD1 4.1Å; I350-I417 HydrophobicContact CG2-CG1 4.26Å; L408-I417 HydrophobicContact CD2-CD1 4.3Å; L408-I417 HydrophobicContact CD2-CG1 4.03Å; F413-I417 WeakPolarHBondContact O-CG1 3.36Å; F413-I417 PolarHBondContact O-N 3.26Å; K414-I417 PolarHBondContact O-N 3.12Å; K415-I417 VanDerWaalsContact C-N 3.34Å; K415-I417 PolarHBondContact O-N 2.62Å; I417-E419 PolarHBondContact O-N 3.33Å; I417-C420 PolarHBondContact O-N 3.19Å; I417-E421 WeakPolarHBondContact O-CB 3.49Å; I417-E421 PolarHBondContact O-N 2.94Å; I417-Y448 HydrophobicContact CG2-CD2 4.25Å; I417-Y448 HydrophobicContact CG2-CE1 3.83Å; I417-Y448 HydrophobicContact CG2-CE2 3.55Å; I417-Y448 WeakPolarHBondContact CG2-OH 3.27Å
418D98.3Very high98.3Very high79 Ų7951.3 Ų51.342%0.42225%0.25SC..Hα-helixtrans-56.3-38.8177.5-62.1-24.2000111.5K414 K415K414-D418 IonicContact NZ-OD1 3.33Å; K414-D418 PolarHBondContact NZ-OD1 3.12Å; K414-D418 IonicContact NZ-OD2 3.6Å; K414-D418 PolarHBondContact NZ-OD2 3.17Å; K414-D418 PolarHBondContact O-N 3.25Å; K415-D418 PolarHBondContact O-N 2.95Å
419E98.4Very high98.4Very high107 Ų10753.4 Ų53.450%0.527%0.266SS..Hα-helixtrans-74.3-25.1178.8-70.4172.3179.900113.7K343 K415 V416 I417K343-E419 WeakPolarHBondContact CE-O 3.41Å; K343-E419 PolarHBondContact NZ-O 3.26Å; K343-E419 VanDerWaalsContact NZ-O 3.16Å; K415-E419 WeakPolarHBondContact CE-OE1 3.26Å; K415-E419 IonicContact NZ-OE1 2.69Å; K415-E419 WeakPolarHBondContact O-CG 3.14Å; K415-E419 PolarHBondContact O-N 3.09Å; K415-E419 VanDerWaalsContact O-N 3.12Å; V416-E419 PolarHBondContact O-N 2.96Å; I417-E419 PolarHBondContact O-N 3.33Å
420C98.7Very high98.3Very high2 Ų249.8 Ų49.81%0.01425%0.246CC..Hα-helixtrans-97.6-24.8-174.9-66.20000113.8K343 A347 V416 I417 D422 G423 W424K343-C420 HydrophobicContact CB-CB 3.92Å; K343-C420 HydrophobicContact CG-CB 4.28Å; A347-C420 HydrophobicContact CB-CB 3.85Å; V416-C420 WeakPolarHBondContact O-CB 3.44Å; V416-C420 PolarHBondContact O-N 2.95Å; V416-C420 PolarHBondContact O-SG 3.26Å; I417-C420 PolarHBondContact O-N 3.19Å; C420-D422 VanDerWaalsContact C-N 3.32Å; C420-D422 PolarHBondContact O-N 3.33Å; C420-G423 PolarHBondContact O-N 3.2Å; C420-G423 VanDerWaalsContact O-N 3.07Å; C420-W424 WeakPolarHBondContact O-CB 3.26Å; C420-W424 PolarHBondContact O-N 3.01Å
421E98.6Very high98.2Very high37 Ų3749.4 Ų49.417%0.17324%0.244CC..Hα-helixtrans-51.4-46.3-168.3-176.8170.1171.800113.3I417 G423 W424 R425 Y448 K452I417-E421 WeakPolarHBondContact O-CB 3.49Å; I417-E421 PolarHBondContact O-N 2.94Å; E421-G423 PolarHBondContact O-N 3.15Å; E421-W424 WeakPolarHBondContact O-CB 3.36Å; E421-W424 PolarHBondContact O-N 3.3Å; E421-R425 HydrophobicContact CG-CG 4.46Å; E421-R425 WeakPolarHBondContact O-CG 3.3Å; E421-R425 PolarHBondContact O-N 3.46Å; E421-R425 IonicContact OE1-CZ 2.85Å; E421-R425 VanDerWaalsContact OE1-CZ 3.29Å; E421-R425 IonicContact OE1-NE 3.76Å; E421-R425 PolarHBondContact OE1-NE 2.97Å; E421-R425 IonicContact OE1-NH2 3.52Å; E421-R425 PolarHBondContact OE1-NH2 2.9Å; E421-Y448 HydrophobicContact CG-CE1 4.46Å; E421-Y448 PolarHBondContact OE2-OH 3.33Å; E421-K452 IonicContact OE1-NZ 3.61Å; E421-K452 PolarHBondContact OE1-NZ 2.75Å; E421-K452 IonicContact OE2-NZ 2.7Å
422D98.4Very high98.1Very high108 Ų10848.4 Ų48.458%0.57825%0.245SC*.Hα-helixtrans-61.4-44.5-179.6-82.4-10.5000113.5C420 W424 R426C420-D422 VanDerWaalsContact C-N 3.32Å; C420-D422 PolarHBondContact O-N 3.33Å; D422-W424 VanDerWaalsContact C-N 3.34Å; D422-R426 WeakPolarHBondContact O-CG 3.4Å; D422-R426 PolarHBondContact O-N 3.46Å; D422-R426 PolarHBondContact O-NH1 3.03Å
423G98.6Very high98Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-69.8-38.5178.600000111D340 C420 E421 R426 V427D340-G423 WeakPolarHBondContact OD1-CA 3.23Å; C420-G423 PolarHBondContact O-N 3.2Å; C420-G423 VanDerWaalsContact O-N 3.07Å; E421-G423 PolarHBondContact O-N 3.15Å; G423-R426 PolarHBondContact O-N 3.19Å; G423-V427 WeakPolarHBondContact O-CG2 3.35Å; G423-V427 PolarHBondContact O-N 3.31Å
424W98.8Very high97.9Very high0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-60.8-46.8176.7-173.720.2000113.1A344 A347 S348 V351 C420 E421 D422 R426 V427 V428 F441 A444 L445 Y448A344-W424 HydrophobicContact CB-CB 4.32Å; A344-W424 HydrophobicContact CB-CG 4.29Å; A347-W424 HydrophobicContact CB-CD2 3.78Å; A347-W424 HydrophobicContact CB-CE3 3.63Å; A347-W424 HydrophobicContact CB-CG 4.22Å; A347-W424 HydrophobicContact CB-CH2 4.49Å; A347-W424 HydrophobicContact CB-CZ3 4.04Å; S348-W424 PolarHBondContact OG-NE1 3.37Å; V351-W424 HydrophobicContact CG2-CH2 3.79Å; V351-W424 HydrophobicContact CG2-CZ2 4.43Å; C420-W424 WeakPolarHBondContact O-CB 3.26Å; C420-W424 PolarHBondContact O-N 3.01Å; E421-W424 WeakPolarHBondContact O-CB 3.36Å; E421-W424 PolarHBondContact O-N 3.3Å; D422-W424 VanDerWaalsContact C-N 3.34Å; W424-R426 VanDerWaalsContact C-N 3.33Å; W424-R426 PolarHBondContact O-N 3.48Å; W424-V427 PolarHBondContact O-N 3.34Å; W424-V428 PolarHBondContact O-N 3.29Å; W424-V428 VanDerWaalsContact O-N 3.1Å; W424-F441 PolarHBondContact NE1-O 2.91Å; W424-A444 HydrophobicContact CH2-CB 4.44Å; W424-A444 WeakPolarHBondContact CH2-O 3.28Å; W424-A444 HydrophobicContact CZ2-CB 3.6Å; W424-L445 HydrophobicContact CD2-CB 4.39Å; W424-L445 HydrophobicContact CD2-CD1 3.85Å; W424-L445 HydrophobicContact CE3-CD1 3.74Å; W424-L445 HydrophobicContact CH2-CB 4.31Å; W424-L445 HydrophobicContact CH2-CD1 4.2Å; W424-L445 HydrophobicContact CZ2-CB 3.8Å; W424-L445 HydrophobicContact CZ2-CD1 4.32Å; W424-L445 HydrophobicContact CZ3-CD1 3.91Å; W424-Y448 HydrophobicContact CE3-CD1 4.45Å; W424-Y448 HydrophobicContact CH2-CD1 4.21Å; W424-Y448 HydrophobicContact CH2-CG 4.08Å; W424-Y448 AromaticContact CZ3-CD1 3.56Å; W424-Y448 HydrophobicContact CZ3-CD1 3.56Å; W424-Y448 HydrophobicContact CZ3-CE1 4.3Å; W424-Y448 AromaticContact CZ3-CG 3.8Å; W424-Y448 HydrophobicContact CZ3-CG 3.8Å
425R98.8Very high97.8Very high75 Ų7549.8 Ų49.828%0.28327%0.269SS..Hα-helixtrans-61.9-40175.4-71.2-177.5-177.4-66.5-2.7112.3E421 S429 L445 D449E421-R425 HydrophobicContact CG-CG 4.46Å; E421-R425 WeakPolarHBondContact O-CG 3.3Å; E421-R425 PolarHBondContact O-N 3.46Å; E421-R425 IonicContact OE1-CZ 2.85Å; E421-R425 VanDerWaalsContact OE1-CZ 3.29Å; E421-R425 IonicContact OE1-NE 3.76Å; E421-R425 PolarHBondContact OE1-NE 2.97Å; E421-R425 IonicContact OE1-NH2 3.52Å; E421-R425 PolarHBondContact OE1-NH2 2.9Å; R425-S429 WeakPolarHBondContact O-CB 3.42Å; R425-S429 PolarHBondContact O-N 3.48Å; R425-S429 PolarHBondContact O-OG 2.91Å; R425-L445 HydrophobicContact CG-CD1 4.11Å; R425-L445 HydrophobicContact CG-CD2 4.04Å; R425-D449 IonicContact CZ-OD1 3.89Å; R425-D449 IonicContact CZ-OD2 3.05Å; R425-D449 IonicContact NH1-OD1 3.6Å; R425-D449 IonicContact NH1-OD2 2.62Å; R425-D449 PolarHBondContact NH1-OD2 3.48Å; R425-D449 IonicContact NH2-OD1 2.74Å; R425-D449 PolarHBondContact NH2-OD1 2.91Å; R425-D449 IonicContact NH2-OD2 3.62Å; R425-D449 PolarHBondContact NH2-OD2 2.66Å
426R98.6Very high97.7Very high80 Ų8044.4 Ų44.430%0.30225%0.246SC..Hα-helixtrans-62.5-42.9175.8-77.5-170.9-66.8-81.5-0.5111.6D340 D422 G423 W424 S429 H430D340-R426 VanDerWaalsContact CG-NE 3.33Å; D340-R426 IonicContact OD1-CZ 2.78Å; D340-R426 IonicContact OD1-NE 3.46Å; D340-R426 PolarHBondContact OD1-NE 3.19Å; D340-R426 IonicContact OD1-NH2 3.64Å; D340-R426 PolarHBondContact OD1-NH2 3.11Å; D340-R426 IonicContact OD2-CZ 3.23Å; D340-R426 IonicContact OD2-NE 3.42Å; D340-R426 PolarHBondContact OD2-NE 3.42Å; D340-R426 IonicContact OD2-NH2 3.47Å; D422-R426 WeakPolarHBondContact O-CG 3.4Å; D422-R426 PolarHBondContact O-N 3.46Å; D422-R426 PolarHBondContact O-NH1 3.03Å; G423-R426 PolarHBondContact O-N 3.19Å; W424-R426 VanDerWaalsContact C-N 3.33Å; W424-R426 PolarHBondContact O-N 3.48Å; R426-S429 WeakPolarHBondContact O-CB 3.49Å; R426-S429 PolarHBondContact O-N 2.91Å; R426-H430 WeakPolarHBondContact O-CB 3.4Å; R426-H430 PolarHBondContact O-CD2 2.88Å; R426-H430 PolarHBondContact O-N 2.82Å
427V98.6Very high97.7Very high1 Ų147.4 Ų47.41%0.00627%0.266CS..Hα-helixtrans-61.5-48.2177.8165.70000112.3L218 D340 I341 A344 G423 W424 S429 H430 G431 F441L218-V427 HydrophobicContact CD1-CG1 3.51Å; D340-V427 VanDerWaalsContact C-CG2 3.42Å; D340-V427 HydrophobicContact CB-CG2 3.98Å; D340-V427 WeakPolarHBondContact O-CG2 3.31Å; I341-V427 HydrophobicContact CB-CG2 4.43Å; I341-V427 HydrophobicContact CG1-CG2 3.98Å; A344-V427 HydrophobicContact CB-CB 3.64Å; A344-V427 HydrophobicContact CB-CG1 3.67Å; A344-V427 HydrophobicContact CB-CG2 3.73Å; G423-V427 WeakPolarHBondContact O-CG2 3.35Å; G423-V427 PolarHBondContact O-N 3.31Å; W424-V427 PolarHBondContact O-N 3.34Å; V427-S429 VanDerWaalsContact C-N 3.28Å; V427-S429 PolarHBondContact O-N 3.48Å; V427-H430 PolarHBondContact O-N 2.78Å; V427-G431 PolarHBondContact O-N 3.39Å; V427-F441 HydrophobicContact CG1-CD2 3.87Å; V427-F441 HydrophobicContact CG1-CE2 4.18Å; V427-F441 HydrophobicContact CG1-CG 4.43Å
428V98.7Very high97.7Very high24 Ų2447.7 Ų47.715%0.14527%0.267CS..Hα-helixtrans-60.3-42.8177.1173.20000110.7W424 G431 A432 F441 L445W424-V428 PolarHBondContact O-N 3.29Å; W424-V428 VanDerWaalsContact O-N 3.1Å; V428-G431 PolarHBondContact O-N 3.15Å; V428-A432 PolarHBondContact O-N 3.18Å; V428-A432 VanDerWaalsContact O-N 3.11Å; V428-F441 HydrophobicContact CG2-CB 4.1Å; V428-L445 HydrophobicContact CB-CD2 4Å; V428-L445 HydrophobicContact CG1-CD2 4.2Å; V428-L445 HydrophobicContact CG2-CB 4.26Å; V428-L445 HydrophobicContact CG2-CD2 3.85Å
429S98Very high97.7Very high63 Ų6345.6 Ų45.644%0.44126%0.258SS..Hα-helixtrans-63-43176-55.70000112.3R425 R426 V427 A432 L433R425-S429 WeakPolarHBondContact O-CB 3.42Å; R425-S429 PolarHBondContact O-N 3.48Å; R425-S429 PolarHBondContact O-OG 2.91Å; R426-S429 WeakPolarHBondContact O-CB 3.49Å; R426-S429 PolarHBondContact O-N 2.91Å; V427-S429 VanDerWaalsContact C-N 3.28Å; V427-S429 PolarHBondContact O-N 3.48Å; S429-A432 PolarHBondContact O-N 3.18Å; S429-L433 VanDerWaalsContact O-CB 3.3Å; S429-L433 WeakPolarHBondContact O-CB 3.41Å; S429-L433 VanDerWaalsContact O-CG 3.26Å; S429-L433 WeakPolarHBondContact O-CG 3.28Å; S429-L433 PolarHBondContact O-N 3.18Å
430H97Very high97.7Very high38 Ų3840.5 Ų40.518%0.17623%0.234CC..Hα-helixtrans-62.5-44.2177.1-79.8-57.2000111.6L222 F326 R426 V427 L433 N434L222-H430 HydrophobicContact CD2-CB 3.61Å; F326-H430 AromaticContact CD2-CE1 3.51Å; F326-H430 AromaticContact CD2-ND1 3.79Å; F326-H430 AromaticContact CE2-CE1 3.53Å; R426-H430 WeakPolarHBondContact O-CB 3.4Å; R426-H430 PolarHBondContact O-CD2 2.88Å; R426-H430 PolarHBondContact O-N 2.82Å; V427-H430 PolarHBondContact O-N 2.78Å; H430-L433 PolarHBondContact O-N 2.78Å; H430-N434 VanDerWaalsContact O-CB 3.26Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 3.02Å; H430-N434 PolarHBondContact O-ND2 3.2Å
431G96.8Very high97.7Very high1 Ų140.4 Ų40.41%0.0123%0.234CC..Hα-helixtrans-55.6-54.1175.400000111.6V427 V428 L433 N434 A435 I436V427-G431 PolarHBondContact O-N 3.39Å; V428-G431 PolarHBondContact O-N 3.15Å; G431-L433 PolarHBondContact O-N 2.97Å; G431-N434 PolarHBondContact O-N 3.23Å; G431-A435 PolarHBondContact O-N 2.97Å; G431-A435 VanDerWaalsContact O-N 3.15Å; G431-I436 CarbonylContact C-O 3.46Å; G431-I436 WeakPolarHBondContact CA-O 3.35Å; G431-I436 PolarHBondContact O-N 3.49Å
432A96Very high97.7Very high82 Ų8240.3 Ų40.368%0.67824%0.237SC*.Hα-helixtrans-61.2-46.4-179.900000113.3V428 S429 N434V428-A432 PolarHBondContact O-N 3.18Å; V428-A432 VanDerWaalsContact O-N 3.11Å; S429-A432 PolarHBondContact O-N 3.18Å; A432-N434 VanDerWaalsContact C-N 3.26Å; A432-N434 PolarHBondContact O-N 3.16Å
433L95.9Very high97.8Very high127 Ų12736 Ų3667%0.66522%0.216SC*.Hα-helixtrans-70.6-20.8-178.1-71.2172.9000113.5P322 S429 H430 G431P322-L433 WeakPolarHBondContact CB-O 3.35Å; S429-L433 VanDerWaalsContact O-CB 3.3Å; S429-L433 WeakPolarHBondContact O-CB 3.41Å; S429-L433 VanDerWaalsContact O-CG 3.26Å; S429-L433 WeakPolarHBondContact O-CG 3.28Å; S429-L433 PolarHBondContact O-N 3.18Å; H430-L433 PolarHBondContact O-N 2.78Å; G431-L433 PolarHBondContact O-N 2.97Å
434N95.9Very high97.8Very high17 Ų1736 Ų369%0.09122%0.216CC..THydrogen-bonded Turntrans-111.712.1-176.2-65.5-83.3000113.8L222 F326 H430 G431 A432 I436L222-N434 HydrophobicContact CD1-CB 3.91Å; F326-N434 VanDerWaalsContact CB-OD1 3.31Å; F326-N434 WeakPolarHBondContact CB-OD1 3.48Å; F326-N434 PolarHBondContact N-OD1 3.25Å; H430-N434 VanDerWaalsContact O-CB 3.26Å; H430-N434 WeakPolarHBondContact O-CB 3.49Å; H430-N434 PolarHBondContact O-N 3.02Å; H430-N434 PolarHBondContact O-ND2 3.2Å; G431-N434 PolarHBondContact O-N 3.23Å; A432-N434 VanDerWaalsContact C-N 3.26Å; A432-N434 PolarHBondContact O-N 3.16Å; N434-I436 HydrophobicContact CB-CD1 4.27Å; N434-I436 HydrophobicContact CB-CG1 4.34Å; N434-I436 PolarHBondContact O-N 2.91Å
435A94.9Very high97.8Very high64 Ų6436.7 Ų36.753%0.52922%0.219SC..THydrogen-bonded Turntrans55.733.4-177.700000113.7G431G431-A435 PolarHBondContact O-N 2.97Å; G431-A435 VanDerWaalsContact O-N 3.15Å
436I96.3Very high97.8Very high13 Ų1337 Ų377%0.06723%0.233CC..  trans-100.8118.4174.2-60.1172.6000108H217 L218 L222 G431 N434 T438H217-I436 HydrophobicContact CB-CG2 4.33Å; L218-I436 HydrophobicContact CD2-CB 4.32Å; L218-I436 HydrophobicContact CD2-CD1 4.2Å; L218-I436 HydrophobicContact CD2-CG2 3.92Å; L218-I436 HydrophobicContact CG-CG2 4.33Å; L222-I436 HydrophobicContact CB-CD1 3.84Å; L222-I436 HydrophobicContact CD1-CD1 4.22Å; G431-I436 CarbonylContact C-O 3.46Å; G431-I436 WeakPolarHBondContact CA-O 3.35Å; G431-I436 PolarHBondContact O-N 3.49Å; N434-I436 HydrophobicContact CB-CD1 4.27Å; N434-I436 HydrophobicContact CB-CG1 4.34Å; N434-I436 PolarHBondContact O-N 2.91Å; I436-T438 PolarHBondContact O-N 3.46Å
437P97.5Very high97.8Very high75 Ų7534.3 Ų34.349%0.48722%0.223SC..  trans-68125.5-177.827.6-33.7000110.8P439P437-P439 VanDerWaalsContact C-CD 3.45Å
438T98.6Very high97.8Very high8 Ų835.5 Ų35.55%0.04923%0.228CC..  trans-131.954.5176.954.80000111.7E214 L218 I436 V440 F441 S442E214-T438 VanDerWaalsContact CD-CA 3.5Å; E214-T438 WeakPolarHBondContact OE2-CA 3.33Å; E214-T438 WeakPolarHBondContact OE2-CB 3.38Å; L218-T438 HydrophobicContact CD1-CG2 4.03Å; L218-T438 HydrophobicContact CD2-CG2 4.18Å; L218-T438 HydrophobicContact CG-CG2 4.24Å; I436-T438 PolarHBondContact O-N 3.46Å; T438-V440 VanDerWaalsContact C-N 3.34Å; T438-V440 PolarHBondContact O-N 3.43Å; T438-F441 HydrophobicContact CG2-CD2 4.1Å; T438-F441 PolarHBondContact O-N 3.24Å; T438-S442 WeakPolarHBondContact O-CB 3.27Å; T438-S442 PolarHBondContact O-N 2.94Å; T438-S442 PolarHBondContact O-OG 3.38Å; T438-S442 PolarHBondContact OG1-OG 3.24Å
439P98.7Very high97.8Very high35 Ų3536.7 Ų36.723%0.22723%0.234CC..Hα-helixtrans-59-42.1-170.124.1-34.1000112.9E214 E297 S301 P437 S443E214-P439 WeakPolarHBondContact OE1-CD 3.22Å; E214-P439 WeakPolarHBondContact OE1-CG 3.46Å; E297-P439 HydrophobicContact CB-CB 4.36Å; S301-P439 WeakPolarHBondContact OG-CG 3.48Å; P437-P439 VanDerWaalsContact C-CD 3.45Å; P439-S443 WeakPolarHBondContact O-CB 3.25Å; P439-S443 PolarHBondContact O-N 3.41Å
440V98.8Very high97.8Very high0 Ų034.8 Ų34.80%022%0.224CC..Hα-helixtrans-76.8-41.7-178.1-167.80000111E210 L211 E214 L294 E297 A298 T438 S442 A444E210-V440 HydrophobicContact CB-CG2 3.91Å; E210-V440 HydrophobicContact CG-CB 4.36Å; E210-V440 HydrophobicContact CG-CG2 3.34Å; L211-V440 HydrophobicContact CD1-CG1 4.47Å; L211-V440 HydrophobicContact CD2-CB 3.9Å; L211-V440 HydrophobicContact CD2-CG1 3.54Å; L211-V440 HydrophobicContact CG-CB 4.34Å; L211-V440 HydrophobicContact CG-CG1 3.74Å; E214-V440 WeakPolarHBondContact OE1-CA 3.35Å; E214-V440 WeakPolarHBondContact OE1-CB 3.49Å; E214-V440 WeakPolarHBondContact OE1-CG2 2.91Å; E214-V440 PolarHBondContact OE1-N 3.27Å; L294-V440 HydrophobicContact CB-CG1 3.68Å; L294-V440 HydrophobicContact CD2-CG1 3.79Å; L294-V440 HydrophobicContact CG-CG1 3.54Å; E297-V440 HydrophobicContact CB-CG2 3.92Å; A298-V440 HydrophobicContact CB-CG2 4.33Å; T438-V440 VanDerWaalsContact C-N 3.34Å; T438-V440 PolarHBondContact O-N 3.43Å; V440-S442 VanDerWaalsContact C-N 3.31Å; V440-S442 PolarHBondContact O-N 3.32Å; V440-A444 WeakPolarHBondContact O-CB 3.49Å; V440-A444 PolarHBondContact O-N 3.27Å
441F98.9Very high97.7Very high0 Ų036.9 Ų36.90%024%0.236CC..Hα-helixtrans-59.7-42.8171.8-71.7-37.8000112.3L211 E214 A215 L218 A344 L345 S348 W424 V427 V428 T438 A444 L445L211-F441 HydrophobicContact CB-CE1 4.35Å; L211-F441 HydrophobicContact CD2-CD1 3.38Å; L211-F441 HydrophobicContact CD2-CE1 3.44Å; L211-F441 VanDerWaalsContact CD2-CE1 3.44Å; L211-F441 HydrophobicContact CD2-CG 4.31Å; L211-F441 HydrophobicContact CD2-CZ 4.42Å; L211-F441 HydrophobicContact CG-CE1 4.49Å; L211-F441 WeakPolarHBondContact O-CZ 3.44Å; E214-F441 HydrophobicContact CB-CD2 3.78Å; E214-F441 HydrophobicContact CB-CE2 3.5Å; E214-F441 VanDerWaalsContact CB-CE2 3.5Å; E214-F441 HydrophobicContact CB-CZ 4.18Å; E214-F441 WeakPolarHBondContact OE2-CB 3.4Å; E214-F441 WeakPolarHBondContact OE2-CD2 3.36Å; E214-F441 VanDerWaalsContact OE2-CG 3.29Å; E214-F441 WeakPolarHBondContact OE2-CG 3.44Å; E214-F441 PolarHBondContact OE2-N 2.89Å; A215-F441 HydrophobicContact CB-CZ 4.22Å; L218-F441 HydrophobicContact CD1-CD2 4.09Å; L218-F441 HydrophobicContact CD1-CE2 3.79Å; A344-F441 HydrophobicContact CB-CD1 4.29Å; A344-F441 HydrophobicContact CB-CE1 4.23Å; A344-F441 HydrophobicContact CB-CZ 4.47Å; L345-F441 HydrophobicContact CB-CE1 4.28Å; L345-F441 HydrophobicContact CB-CZ 4.32Å; L345-F441 HydrophobicContact CD1-CE1 4.38Å; S348-F441 WeakPolarHBondContact OG-CD1 3.47Å; W424-F441 PolarHBondContact NE1-O 2.91Å; V427-F441 HydrophobicContact CG1-CD2 3.87Å; V427-F441 HydrophobicContact CG1-CE2 4.18Å; V427-F441 HydrophobicContact CG1-CG 4.43Å; V428-F441 HydrophobicContact CG2-CB 4.1Å; T438-F441 HydrophobicContact CG2-CD2 4.1Å; T438-F441 PolarHBondContact O-N 3.24Å; F441-A444 PolarHBondContact O-N 3.08Å; F441-L445 PolarHBondContact O-N 2.87Å; F441-L445 VanDerWaalsContact O-N 3.09Å
442S98.9Very high97.7Very high36 Ų3641.2 Ų41.225%0.25225%0.254SS..Hα-helixtrans-68.8-44.4-178.3-59.60000111.8T438 V440 A444 L445 S446T438-S442 WeakPolarHBondContact O-CB 3.27Å; T438-S442 PolarHBondContact O-N 2.94Å; T438-S442 PolarHBondContact O-OG 3.38Å; T438-S442 PolarHBondContact OG1-OG 3.24Å; V440-S442 VanDerWaalsContact C-N 3.31Å; V440-S442 PolarHBondContact O-N 3.32Å; S442-A444 VanDerWaalsContact C-N 3.32Å; S442-A444 PolarHBondContact O-N 3.16Å; S442-L445 PolarHBondContact O-N 3.4Å; S442-S446 WeakPolarHBondContact O-CB 3.37Å; S442-S446 PolarHBondContact O-N 3.42Å; S442-S446 PolarHBondContact O-OG 3.37Å
443S98.7Very high97.7Very high17 Ų1739.9 Ų39.912%0.11924%0.239CC..Hα-helixtrans-63.9-38.7176.5-179.80000111.7T293 P439 S446 F447T293-S443 WeakPolarHBondContact CB-OG 3.41Å; T293-S443 PolarHBondContact OG1-OG 3.22Å; P439-S443 WeakPolarHBondContact O-CB 3.25Å; P439-S443 PolarHBondContact O-N 3.41Å; S443-S446 PolarHBondContact O-N 3.06Å; S443-F447 WeakPolarHBondContact O-CB 3.31Å; S443-F447 PolarHBondContact O-N 3.11Å
444A98.9Very high97.7Very high0 Ų039.1 Ų39.10%024%0.242CC..Hα-helixtrans-63.7-44.8175.800000112.8L294 V351 W424 V440 F441 S442 S446 F447 Y448L294-A444 HydrophobicContact CD1-CB 3.65Å; L294-A444 HydrophobicContact CD2-CB 3.69Å; L294-A444 HydrophobicContact CG-CB 3.83Å; V351-A444 HydrophobicContact CB-CB 4.24Å; V351-A444 HydrophobicContact CG1-CB 4.26Å; W424-A444 HydrophobicContact CH2-CB 4.44Å; W424-A444 WeakPolarHBondContact CH2-O 3.28Å; W424-A444 HydrophobicContact CZ2-CB 3.6Å; V440-A444 WeakPolarHBondContact O-CB 3.49Å; V440-A444 PolarHBondContact O-N 3.27Å; F441-A444 PolarHBondContact O-N 3.08Å; S442-A444 VanDerWaalsContact C-N 3.32Å; S442-A444 PolarHBondContact O-N 3.16Å; A444-S446 VanDerWaalsContact C-N 3.32Å; A444-F447 PolarHBondContact O-N 2.57Å; A444-Y448 WeakPolarHBondContact O-CB 3.19Å; A444-Y448 PolarHBondContact O-N 3.06Å
445L98.8Very high97.8Very high14 Ų1445.6 Ų45.67%0.07327%0.271CS..Hα-helixtrans-65.3-41.2177.7-177.661.7000110.7W424 R425 V428 F441 S442 Y448 D449W424-L445 HydrophobicContact CD2-CB 4.39Å; W424-L445 HydrophobicContact CD2-CD1 3.85Å; W424-L445 HydrophobicContact CE3-CD1 3.74Å; W424-L445 HydrophobicContact CH2-CB 4.31Å; W424-L445 HydrophobicContact CH2-CD1 4.2Å; W424-L445 HydrophobicContact CZ2-CB 3.8Å; W424-L445 HydrophobicContact CZ2-CD1 4.32Å; W424-L445 HydrophobicContact CZ3-CD1 3.91Å; R425-L445 HydrophobicContact CG-CD1 4.11Å; R425-L445 HydrophobicContact CG-CD2 4.04Å; V428-L445 HydrophobicContact CB-CD2 4Å; V428-L445 HydrophobicContact CG1-CD2 4.2Å; V428-L445 HydrophobicContact CG2-CB 4.26Å; V428-L445 HydrophobicContact CG2-CD2 3.85Å; F441-L445 PolarHBondContact O-N 2.87Å; F441-L445 VanDerWaalsContact O-N 3.09Å; S442-L445 PolarHBondContact O-N 3.4Å; L445-Y448 HydrophobicContact CD1-CD1 4.47Å; L445-Y448 PolarHBondContact O-N 2.74Å; L445-D449 PolarHBondContact O-N 2.79Å
446S98.7Very high97.9Very high82 Ų8247 Ų4757%0.57327%0.269SS*.Hα-helixtrans-62.8-42.7177.4-58.10000112.1S442 S443 A444 G450S442-S446 WeakPolarHBondContact O-CB 3.37Å; S442-S446 PolarHBondContact O-N 3.42Å; S442-S446 PolarHBondContact O-OG 3.37Å; S443-S446 PolarHBondContact O-N 3.06Å; A444-S446 VanDerWaalsContact C-N 3.32Å; S446-G450 PolarHBondContact O-N 2.94Å
447F98.7Very high98Very high24 Ų2451.1 Ų51.111%0.10530%0.297CS..Hα-helixtrans-62.7-45173.9175.3-90.6000111.7P291 V351 Q355 M358 L408 S443 A444 G450 I451P291-F447 HydrophobicContact CB-CE2 4.37Å; P291-F447 HydrophobicContact CG-CD2 4.39Å; P291-F447 HydrophobicContact CG-CE2 3.79Å; V351-F447 HydrophobicContact CG1-CB 4.26Å; V351-F447 HydrophobicContact CG1-CD1 3.4Å; V351-F447 VanDerWaalsContact CG1-CD1 3.4Å; V351-F447 HydrophobicContact CG1-CE1 4.05Å; V351-F447 HydrophobicContact CG1-CG 4.1Å; Q355-F447 HydrophobicContact CG-CD1 4.39Å; Q355-F447 HydrophobicContact CG-CD2 4.39Å; Q355-F447 HydrophobicContact CG-CE1 4.1Å; Q355-F447 HydrophobicContact CG-CE2 4.13Å; Q355-F447 HydrophobicContact CG-CZ 3.96Å; Q355-F447 VanDerWaalsContact NE2-CD2 3.28Å; M358-F447 HydrophobicContact CE-CZ 4.31Å; M358-F447 HydrophobicContact SD-CZ 3.84Å; L408-F447 HydrophobicContact CD1-CE1 4.12Å; S443-F447 WeakPolarHBondContact O-CB 3.31Å; S443-F447 PolarHBondContact O-N 3.11Å; A444-F447 PolarHBondContact O-N 2.57Å; F447-G450 PolarHBondContact O-N 3.2Å; F447-I451 HydrophobicContact CE1-CB 4.46Å; F447-I451 HydrophobicContact CE1-CD1 4.12Å; F447-I451 HydrophobicContact CE1-CG2 4.35Å; F447-I451 HydrophobicContact CZ-CD1 3.88Å; F447-I451 PolarHBondContact O-N 2.9Å
448Y98.7Very high98.1Very high26 Ų2649.9 Ų49.910%0.10229%0.293CS..Hα-helixtrans-62.9-43.2179.1173.3-114.8000112.5L408 I417 E421 W424 A444 L445 G450 I451 K452L408-Y448 HydrophobicContact CD1-CD2 4.32Å; I417-Y448 HydrophobicContact CG2-CD2 4.25Å; I417-Y448 HydrophobicContact CG2-CE1 3.83Å; I417-Y448 HydrophobicContact CG2-CE2 3.55Å; I417-Y448 WeakPolarHBondContact CG2-OH 3.27Å; E421-Y448 HydrophobicContact CG-CE1 4.46Å; E421-Y448 PolarHBondContact OE2-OH 3.33Å; W424-Y448 HydrophobicContact CE3-CD1 4.45Å; W424-Y448 HydrophobicContact CH2-CD1 4.21Å; W424-Y448 HydrophobicContact CH2-CG 4.08Å; W424-Y448 AromaticContact CZ3-CD1 3.56Å; W424-Y448 HydrophobicContact CZ3-CD1 3.56Å; W424-Y448 HydrophobicContact CZ3-CE1 4.3Å; W424-Y448 AromaticContact CZ3-CG 3.8Å; W424-Y448 HydrophobicContact CZ3-CG 3.8Å; A444-Y448 WeakPolarHBondContact O-CB 3.19Å; A444-Y448 PolarHBondContact O-N 3.06Å; L445-Y448 HydrophobicContact CD1-CD1 4.47Å; L445-Y448 PolarHBondContact O-N 2.74Å; Y448-G450 VanDerWaalsContact C-N 3.31Å; Y448-I451 WeakPolarHBondContact O-CG2 3.31Å; Y448-K452 HydrophobicContact CD1-CD 4.37Å; Y448-K452 HydrophobicContact CE1-CD 3.93Å; Y448-K452 HydrophobicContact CE2-CD 4.12Å; Y448-K452 WeakPolarHBondContact O-CG 3.07Å; Y448-K452 PolarHBondContact O-N 3.33Å
449D98.6Very high98Very high49 Ų4955.1 Ų55.126%0.26232%0.321SS..Hα-helixtrans-67.2-34.7174.5-76.4-22.1000111.7R425 L445 K452 C453R425-D449 IonicContact CZ-OD1 3.89Å; R425-D449 IonicContact CZ-OD2 3.05Å; R425-D449 IonicContact NH1-OD1 3.6Å; R425-D449 IonicContact NH1-OD2 2.62Å; R425-D449 PolarHBondContact NH1-OD2 3.48Å; R425-D449 IonicContact NH2-OD1 2.74Å; R425-D449 PolarHBondContact NH2-OD1 2.91Å; R425-D449 IonicContact NH2-OD2 3.62Å; R425-D449 PolarHBondContact NH2-OD2 2.66Å; L445-D449 PolarHBondContact O-N 2.79Å; D449-K452 WeakPolarHBondContact OD1-CE 3.31Å; D449-K452 IonicContact OD1-NZ 3.41Å; D449-K452 PolarHBondContact OD1-NZ 3.31Å; D449-K452 VanDerWaalsContact OD1-NZ 3.09Å; D449-C453 WeakPolarHBondContact O-CB 3.36Å; D449-C453 PolarHBondContact O-N 3.26Å
450G98.1Very high98Very high23 Ų2358.4 Ų58.424%0.23734%0.336CS..Hα-helixtrans-65.2-49.2175.900000113.2S446 F447 Y448 K452 C453S446-G450 PolarHBondContact O-N 2.94Å; F447-G450 PolarHBondContact O-N 3.2Å; Y448-G450 VanDerWaalsContact C-N 3.31Å; G450-K452 VanDerWaalsContact C-N 3.27Å; G450-K452 PolarHBondContact O-N 3.13Å; G450-C453 WeakPolarHBondContact O-CB 3.46Å; G450-C453 PolarHBondContact O-N 3.15Å
451I96.3Very high98Very high82 Ų8262.9 Ų62.942%0.42136%0.359SS..Hα-helixtrans-68.7-25.6-175-163.1169000113L408 F447 Y448L408-I451 HydrophobicContact CD1-CG2 4Å; F447-I451 HydrophobicContact CE1-CB 4.46Å; F447-I451 HydrophobicContact CE1-CD1 4.12Å; F447-I451 HydrophobicContact CE1-CG2 4.35Å; F447-I451 HydrophobicContact CZ-CD1 3.88Å; F447-I451 PolarHBondContact O-N 2.9Å; Y448-I451 WeakPolarHBondContact O-CG2 3.31Å
452K95.6Very high97.9Very high92 Ų9266.3 Ų66.340%0.438%0.375SS..THydrogen-bonded Turntrans-91.1-3.3176.977.2-167.1-167.6-172.50113.8E421 Y448 D449 G450 P454E421-K452 IonicContact OE1-NZ 3.61Å; E421-K452 PolarHBondContact OE1-NZ 2.75Å; E421-K452 IonicContact OE2-NZ 2.7Å; Y448-K452 HydrophobicContact CD1-CD 4.37Å; Y448-K452 HydrophobicContact CE1-CD 3.93Å; Y448-K452 HydrophobicContact CE2-CD 4.12Å; Y448-K452 WeakPolarHBondContact O-CG 3.07Å; Y448-K452 PolarHBondContact O-N 3.33Å; D449-K452 WeakPolarHBondContact OD1-CE 3.31Å; D449-K452 IonicContact OD1-NZ 3.41Å; D449-K452 PolarHBondContact OD1-NZ 3.31Å; D449-K452 VanDerWaalsContact OD1-NZ 3.09Å; G450-K452 VanDerWaalsContact C-N 3.27Å; G450-K452 PolarHBondContact O-N 3.13Å; K452-P454 WeakPolarHBondContact O-CD 3.27Å
453C97.2Very high97.8Very high54 Ų5465.8 Ų65.837%0.36537%0.373SS..  trans-87.4117.2-179.1-168.10000111D449 G450 H455 L456D449-C453 WeakPolarHBondContact O-CB 3.36Å; D449-C453 PolarHBondContact O-N 3.26Å; G450-C453 WeakPolarHBondContact O-CB 3.46Å; G450-C453 PolarHBondContact O-N 3.15Å; C453-H455 PolarHBondContact O-N 3.19Å; C453-H455 PolarHBondContact SG-O 2.87Å; C453-L456 HydrophobicContact CB-CD2 3.86Å; C453-L456 HydrophobicContact CB-CG 4.38Å
454P96Very high97.8Very high111 Ų11169.9 Ų69.972%0.72139%0.39SS*.SBendtrans-67.9-24.6-179.926.6-34.3000113.3K452K452-P454 WeakPolarHBondContact O-CD 3.27Å
455H96.7Very high97.6Very high152 Ų15274.5 Ų74.570%0.70441%0.407SS*.SBendtrans-136.899.6-177.8-60.5-56.8000110.7C453C453-H455 PolarHBondContact O-N 3.19Å; C453-H455 PolarHBondContact SG-O 2.87Å
456L98.1Very high97.5Very high94 Ų9473.8 Ų73.849%0.49240%0.404SS..  trans-82.2158.9174.3-71.6172.8000111.5C453 A458 N459C453-L456 HydrophobicContact CB-CD2 3.86Å; C453-L456 HydrophobicContact CB-CG 4.38Å; L456-A458 PolarHBondContact O-N 3.23Å; L456-N459 PolarHBondContact O-OD1 3.09Å
457P98.4Very high97.3Very high99 Ų9976.2 Ų76.264%0.64340%0.401SS*.THydrogen-bonded Turntrans-69.18.517830.2-37.3000114.3N459 L460P457-N459 VanDerWaalsContact C-OD1 3.26Å; P457-N459 WeakPolarHBondContact CA-OD1 3.38Å; P457-N459 PolarHBondContact O-N 3.3Å; P457-N459 PolarHBondContact O-OD1 3.27Å; P457-L460 PolarHBondContact O-N 2.87Å
458A97.8Very high97Very high49 Ų4982.3 Ų82.341%0.40543%0.428SS..Hα-helixtrans-63.2-19.6178.900000113.2L456 L460 I461 Q462L456-A458 PolarHBondContact O-N 3.23Å; A458-L460 VanDerWaalsContact C-N 3.28Å; A458-L460 PolarHBondContact O-N 3.17Å; A458-I461 WeakPolarHBondContact O-CB 3.28Å; A458-I461 PolarHBondContact O-N 2.87Å; A458-Q462 WeakPolarHBondContact O-CG 3.5Å; A458-Q462 PolarHBondContact O-N 3.46Å
459N97.5Very high96.7Very high119 Ų11982.3 Ų82.364%0.63644%0.436SS*.Hα-helixtrans-59.4-37.6170.664.7-45.6000112.3L456 P457 Q462 A463L456-N459 PolarHBondContact O-OD1 3.09Å; P457-N459 VanDerWaalsContact C-OD1 3.26Å; P457-N459 WeakPolarHBondContact CA-OD1 3.38Å; P457-N459 PolarHBondContact O-N 3.3Å; P457-N459 PolarHBondContact O-OD1 3.27Å; N459-Q462 PolarHBondContact O-N 2.84Å; N459-A463 PolarHBondContact O-N 3.33Å
460L98.6Very high96.4Very high104 Ų10480.7 Ų80.755%0.54543%0.429SS..Hα-helixtrans-68.1-38175.2-179.560.3000111.4P457 A458 Q462 A463 Q464P457-L460 PolarHBondContact O-N 2.87Å; A458-L460 VanDerWaalsContact C-N 3.28Å; A458-L460 PolarHBondContact O-N 3.17Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 3.33Å; L460-A463 PolarHBondContact O-N 3.22Å; L460-Q464 HydrophobicContact CD1-CG 4.42Å; L460-Q464 HydrophobicContact CG-CG 4.49Å; L460-Q464 WeakPolarHBondContact O-CB 3.45Å; L460-Q464 VanDerWaalsContact O-CG 3.29Å; L460-Q464 WeakPolarHBondContact O-CG 3.36Å; L460-Q464 PolarHBondContact O-N 2.98Å
461I98.3Very high96.1Very high94 Ų9482.7 Ų82.748%0.48243%0.432SS..Hα-helixtrans-61.1-44.5174.6-63.6173.3000110.2A458 Q464 R465A458-I461 WeakPolarHBondContact O-CB 3.28Å; A458-I461 PolarHBondContact O-N 2.87Å; I461-Q464 PolarHBondContact O-N 3.38Å; I461-R465 HydrophobicContact CG2-CG 4.47Å; I461-R465 WeakPolarHBondContact O-CG 3.48Å; I461-R465 PolarHBondContact O-N 3.42Å
462Q97Very high96Very high71 Ų7180.6 Ų80.633%0.33242%0.421SS..Hα-helixtrans-62.4-44.1176.2-66.4-60.2-20.500111.7A458 N459 L460 Q464 R465 D466 F473A458-Q462 WeakPolarHBondContact O-CG 3.5Å; A458-Q462 PolarHBondContact O-N 3.46Å; N459-Q462 PolarHBondContact O-N 2.84Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 3.33Å; Q462-Q464 PolarHBondContact O-N 3.28Å; Q462-R465 PolarHBondContact O-N 3.38Å; Q462-D466 PolarHBondContact O-N 3.01Å; Q462-F473 HydrophobicContact CB-CB 3.95Å
463A97.2Very high95.9Very high26 Ų2677.7 Ų77.722%0.21541%0.408CS..Hα-helixtrans-61-42.7175.600000112.2N459 L460 D466 Y467 W487N459-A463 PolarHBondContact O-N 3.33Å; L460-A463 PolarHBondContact O-N 3.22Å; A463-D466 PolarHBondContact O-N 2.88Å; A463-Y467 VanDerWaalsContact O-CB 3.29Å; A463-Y467 WeakPolarHBondContact O-CB 3.38Å; A463-Y467 PolarHBondContact O-N 3.41Å; A463-W487 HydrophobicContact CB-CH2 4.04Å; A463-W487 HydrophobicContact CB-CZ2 4.12Å
464Q97.7Very high95.8Very high102 Ų10279.6 Ų79.648%0.47741%0.412SS..Hα-helixtrans-61.1-47.7175.4-74.4170.9-21.100111.7L460 I461 Q462 D466 Y467 F468L460-Q464 HydrophobicContact CD1-CG 4.42Å; L460-Q464 HydrophobicContact CG-CG 4.49Å; L460-Q464 WeakPolarHBondContact O-CB 3.45Å; L460-Q464 VanDerWaalsContact O-CG 3.29Å; L460-Q464 WeakPolarHBondContact O-CG 3.36Å; L460-Q464 PolarHBondContact O-N 2.98Å; I461-Q464 PolarHBondContact O-N 3.38Å; Q462-Q464 PolarHBondContact O-N 3.28Å; Q464-D466 VanDerWaalsContact C-N 3.31Å; Q464-D466 PolarHBondContact O-N 2.99Å; Q464-Y467 WeakPolarHBondContact O-CB 3.37Å; Q464-Y467 PolarHBondContact O-N 2.88Å; Q464-Y467 VanDerWaalsContact O-N 3.15Å; Q464-F468 WeakPolarHBondContact O-CD1 3.4Å; Q464-F468 WeakPolarHBondContact O-CE1 3.43Å; Q464-F468 PolarHBondContact O-N 3.44Å; Q464-F468 VanDerWaalsContact O-N 3.09Å
465R96.1Very high95.8Very high97 Ų9779.5 Ų79.537%0.36640%0.4SS..Hα-helixtrans-59.7-41.4178.1-73.817770.2-136.74.4112I461 Q462 F468 G469 H471I461-R465 HydrophobicContact CG2-CG 4.47Å; I461-R465 WeakPolarHBondContact O-CG 3.48Å; I461-R465 PolarHBondContact O-N 3.42Å; Q462-R465 PolarHBondContact O-N 3.38Å; R465-F468 HydrophobicContact CB-CZ 4.48Å; R465-F468 HydrophobicContact CG-CE1 4.45Å; R465-F468 HydrophobicContact CG-CZ 4.21Å; R465-G469 WeakPolarHBondContact O-CA 3.49Å; R465-G469 PolarHBondContact O-N 2.95Å; R465-G469 VanDerWaalsContact O-N 3.1Å; R465-H471 HydrophobicContact CB-CB 3.98Å; R465-H471 PolarHBondContact O-CD2 2.94Å
466D95.2Very high95.7Very high0 Ų078.7 Ų78.70%041%0.406CS..Hα-helixtrans-69.4-37.8175.4-167.854.8000112.2Q462 A463 Q464 A470 H471 Q472 F473 H484 V485 W487Q462-D466 PolarHBondContact O-N 3.01Å; A463-D466 PolarHBondContact O-N 2.88Å; Q464-D466 VanDerWaalsContact C-N 3.31Å; Q464-D466 PolarHBondContact O-N 2.99Å; D466-A470 VanDerWaalsContact O-CA 3.25Å; D466-A470 WeakPolarHBondContact O-CA 3.46Å; D466-A470 PolarHBondContact O-N 3.4Å; D466-H471 PolarHBondContact OD1-N 3.18Å; D466-Q472 VanDerWaalsContact OD1-CA 3.29Å; D466-Q472 WeakPolarHBondContact OD1-CA 3.39Å; D466-Q472 PolarHBondContact OD1-N 3.21Å; D466-F473 HydrophobicContact CB-CD1 3.77Å; D466-F473 HydrophobicContact CB-CE1 4.24Å; D466-F473 WeakPolarHBondContact OD2-CE1 3.3Å; D466-H484 VanDerWaalsContact CG-ND1 3.31Å; D466-H484 IonicContact OD1-CE1 3.03Å; D466-H484 IonicContact OD1-CG 3.66Å; D466-H484 IonicContact OD1-ND1 3.96Å; D466-H484 PolarHBondContact OD1-ND1 3.33Å; D466-H484 IonicContact OD2-ND1 2.67Å; D466-H484 PolarHBondContact OD2-ND1 2.69Å; D466-V485 PolarHBondContact OD2-N 2.72Å; D466-W487 PolarHBondContact OD2-NE1 3.23Å
467Y94.9Very high95.5Very high133 Ų13380.4 Ų80.452%0.52242%0.416SS..Hα-helixtrans-59.1-55.1178.5-170.2-71.1000112.9A463 Q464 W487 T488A463-Y467 VanDerWaalsContact O-CB 3.29Å; A463-Y467 WeakPolarHBondContact O-CB 3.38Å; A463-Y467 PolarHBondContact O-N 3.41Å; Q464-Y467 WeakPolarHBondContact O-CB 3.37Å; Q464-Y467 PolarHBondContact O-N 2.88Å; Q464-Y467 VanDerWaalsContact O-N 3.15Å; Y467-W487 HydrophobicContact CD2-CB 3.17Å; Y467-W487 AromaticContact CD2-CD2 3.95Å; Y467-W487 HydrophobicContact CD2-CD2 3.95Å; Y467-W487 HydrophobicContact CD2-CE3 4.31Å; Y467-W487 AromaticContact CD2-CG 3.47Å; Y467-W487 HydrophobicContact CD2-CG 3.47Å; Y467-W487 VanDerWaalsContact CD2-CG 3.47Å; Y467-W487 HydrophobicContact CE2-CB 3.39Å; Y467-W487 HydrophobicContact CE2-CG 4.18Å; Y467-W487 HydrophobicContact CG-CB 3.94Å; Y467-W487 HydrophobicContact CG-CG 4.05Å; Y467-T488 HydrophobicContact CE1-CG2 4.17Å
468F93Very high95.3Very high152 Ų15279.7 Ų79.767%0.66741%0.406SS*.Hα-helixtrans-87.2-20.5-174.568.7-110.2000113.6Q464 R465Q464-F468 WeakPolarHBondContact O-CD1 3.4Å; Q464-F468 WeakPolarHBondContact O-CE1 3.43Å; Q464-F468 PolarHBondContact O-N 3.44Å; Q464-F468 VanDerWaalsContact O-N 3.09Å; R465-F468 HydrophobicContact CB-CZ 4.48Å; R465-F468 HydrophobicContact CG-CE1 4.45Å; R465-F468 HydrophobicContact CG-CZ 4.21Å
469G91.7Very high95Very high25 Ų2582 Ų8226%0.25842%0.417SS..Hα-helixtrans-133.81.8-166.700000115.7R465 H471R465-G469 WeakPolarHBondContact O-CA 3.49Å; R465-G469 PolarHBondContact O-N 2.95Å; R465-G469 VanDerWaalsContact O-N 3.1Å; G469-H471 PolarHBondContact O-N 3.34Å; G469-H471 VanDerWaalsContact O-N 3.16Å
470A92.5Very high94.7Very high16 Ų1679 Ų7913%0.13242%0.415CS..  trans5039.2-176.800000112.9D466 Q472 H484 S496D466-A470 VanDerWaalsContact O-CA 3.25Å; D466-A470 WeakPolarHBondContact O-CA 3.46Å; D466-A470 PolarHBondContact O-N 3.4Å; A470-Q472 PolarHBondContact O-N 2.93Å; A470-H484 VanDerWaalsContact CB-CE1 3.42Å; A470-H484 WeakPolarHBondContact CB-CE1 3.47Å; A470-S496 PolarHBondContact O-N 3.35Å; A470-S496 PolarHBondContact O-OG 2.79Å; A470-S496 VanDerWaalsContact O-OG 3.04Å
471H92.6Very high94.4Very high65 Ų6577.1 Ų77.130%0.30141%0.408SS..  trans-73.4-2.2-177.1-72.6-47.2000115.5R465 D466 G469 S496R465-H471 HydrophobicContact CB-CB 3.98Å; R465-H471 PolarHBondContact O-CD2 2.94Å; D466-H471 PolarHBondContact OD1-N 3.18Å; G469-H471 PolarHBondContact O-N 3.34Å; G469-H471 VanDerWaalsContact O-N 3.16Å; H471-S496 WeakPolarHBondContact CA-OG 3.39Å; H471-S496 PolarHBondContact ND1-OG 2.66Å
472Q93.8Very high94.2Very high38 Ų3876.8 Ų76.818%0.17840%0.403CS..  trans61164.7-175.6-44.5-178-52.900112.6D466 A470 F482 V483 H484 A495D466-Q472 VanDerWaalsContact OD1-CA 3.29Å; D466-Q472 WeakPolarHBondContact OD1-CA 3.39Å; D466-Q472 PolarHBondContact OD1-N 3.21Å; A470-Q472 PolarHBondContact O-N 2.93Å; Q472-F482 HydrophobicContact CB-CB 3.91Å; Q472-F482 HydrophobicContact CB-CD1 4.11Å; Q472-F482 HydrophobicContact CB-CG 4.49Å; Q472-V483 CarbonylContact C-O 3.49Å; Q472-V483 WeakPolarHBondContact CA-O 3.43Å; Q472-V483 WeakPolarHBondContact CB-O 3.47Å; Q472-H484 HydrophobicContact CG-CB 4.3Å; Q472-A495 HydrophobicContact CG-CB 3.8Å
473F94.2Very high93.9Very high31 Ų3175.5 Ų75.514%0.13640%0.4CS..EExtended strand (participates in β ladder)trans-153.5164.9173.661.1-87.6000110.4Q462 D466 K475 F482 V483 V485 W487Q462-F473 HydrophobicContact CB-CB 3.95Å; D466-F473 HydrophobicContact CB-CD1 3.77Å; D466-F473 HydrophobicContact CB-CE1 4.24Å; D466-F473 WeakPolarHBondContact OD2-CE1 3.3Å; F473-K475 HydrophobicContact CE2-CG 4.22Å; F473-F482 CarbonylContact O-C 3.47Å; F473-F482 WeakPolarHBondContact O-CA 3.46Å; F473-V483 WeakPolarHBondContact CD1-O 3.47Å; F473-V483 HydrophobicContact CD2-CG2 4.06Å; F473-V483 HydrophobicContact CE1-CG2 4.21Å; F473-V483 HydrophobicContact CE2-CG2 3.7Å; F473-V483 HydrophobicContact CG-CG2 4.47Å; F473-V483 HydrophobicContact CZ-CG2 3.79Å; F473-V483 PolarHBondContact N-O 2.74Å; F473-V483 WeakPolarHBondContact O-CG2 3.35Å; F473-V483 PolarHBondContact O-N 3.16Å; F473-V485 HydrophobicContact CE1-CB 4.46Å; F473-V485 HydrophobicContact CE1-CG2 3.88Å; F473-V485 HydrophobicContact CZ-CG2 3.75Å; F473-W487 AromaticContact CE1-CZ2 3.79Å; F473-W487 HydrophobicContact CE1-CZ2 3.79Å; F473-W487 HydrophobicContact CZ-CZ2 4.21Å
474E95.5Very high93.7Very high93 Ų9376.8 Ų76.844%0.43540%0.401SS..EExtended strand (participates in β ladder)trans-98.8148.1174.6-62.6175.579.600110.6G480 F482E474-G480 WeakPolarHBondContact OE1-CA 3.33Å; E474-G480 PolarHBondContact OE1-N 2.91Å; E474-F482 HydrophobicContact CG-CD1 3.97Å; E474-F482 HydrophobicContact CG-CD2 4.16Å; E474-F482 HydrophobicContact CG-CE1 3.72Å; E474-F482 HydrophobicContact CG-CE2 3.92Å; E474-F482 HydrophobicContact CG-CG 4.17Å; E474-F482 HydrophobicContact CG-CZ 3.69Å; E474-F482 WeakPolarHBondContact OE2-CZ 3.38Å
475K94.7Very high93.4Very high110 Ų11074.5 Ų74.548%0.47839%0.394SS..EExtended strand (participates in β ladder)trans-96.1148.7171.5-61.9-175.8178.2-179.50110.7F473 D477 N478 V483F473-K475 HydrophobicContact CE2-CG 4.22Å; K475-D477 VanDerWaalsContact C-N 3.25Å; K475-D477 WeakPolarHBondContact CB-OD1 3.48Å; K475-D477 PolarHBondContact O-N 3.18Å; K475-N478 CarbonylContact O-C 3.56Å; K475-N478 VanDerWaalsContact O-C 3.29Å; K475-N478 PolarHBondContact O-N 2.91Å; K475-N478 VanDerWaalsContact O-N 3.15Å; K475-V483 HydrophobicContact CG-CG2 4.3Å
476T94.8Very high93.2Very high135 Ų13573.1 Ų73.183%0.82839%0.394SS*.THydrogen-bonded Turntrans-63.8-29-179.2510000113.6
477D94.9Very high93.1Very high130 Ų13078 Ų7870%0.69541%0.412SS*.THydrogen-bonded Turntrans-85.2-9.317962.1-23.2000113.4K475K475-D477 VanDerWaalsContact C-N 3.25Å; K475-D477 WeakPolarHBondContact CB-OD1 3.48Å; K475-D477 PolarHBondContact O-N 3.18Å
478N93.2Very high92.9Very high83 Ų8374.7 Ų74.744%0.44441%0.406SS..EExtended strand (participates in β ladder)trans-149.465.6179.2-170.527.9000112.4K475 T481K475-N478 CarbonylContact O-C 3.56Å; K475-N478 VanDerWaalsContact O-C 3.29Å; K475-N478 PolarHBondContact O-N 2.91Å; K475-N478 VanDerWaalsContact O-N 3.15Å; N478-T481 VanDerWaalsContact ND2-CB 3.34Å; N478-T481 WeakPolarHBondContact ND2-CB 3.26Å; N478-T481 PolarHBondContact ND2-OG1 3.39Å; N478-T481 PolarHBondContact O-N 3.32Å
479P91.7Very high92.5Very high97 Ų9770.1 Ų70.163%0.6340%0.402SS*.EExtended strand (participates in β ladder)trans-62.3148.9176.627.8-34.8000111.4T481P479-T481 VanDerWaalsContact C-N 3.32Å
480G91.9Very high91.9Very high58 Ų5877.5 Ų77.560%0.59843%0.429SS*.EExtended strand (participates in β ladder)trans89-11.3-17400000114.3E474E474-G480 WeakPolarHBondContact OE1-CA 3.33Å; E474-G480 PolarHBondContact OE1-N 2.91Å
481T92.6Very high90.7Very high63 Ų6378.2 Ų78.239%0.38744%0.439SS..EExtended strand (participates in β ladder)trans-107.3113.6176.5-550000110.8N478 P479 V483N478-T481 VanDerWaalsContact ND2-CB 3.34Å; N478-T481 WeakPolarHBondContact ND2-CB 3.26Å; N478-T481 PolarHBondContact ND2-OG1 3.39Å; N478-T481 PolarHBondContact O-N 3.32Å; P479-T481 VanDerWaalsContact C-N 3.32Å; T481-V483 HydrophobicContact CG2-CG1 4.4Å
482F92.7Very high89.3Confident88 Ų8877.9 Ų77.939%0.38645%0.452SS..EExtended strand (participates in β ladder)trans-84.9131.1175.4-73.7-92.7000111.1Q472 F473 E474 T498Q472-F482 HydrophobicContact CB-CB 3.91Å; Q472-F482 HydrophobicContact CB-CD1 4.11Å; Q472-F482 HydrophobicContact CB-CG 4.49Å; F473-F482 CarbonylContact O-C 3.47Å; F473-F482 WeakPolarHBondContact O-CA 3.46Å; E474-F482 HydrophobicContact CG-CD1 3.97Å; E474-F482 HydrophobicContact CG-CD2 4.16Å; E474-F482 HydrophobicContact CG-CE1 3.72Å; E474-F482 HydrophobicContact CG-CE2 3.92Å; E474-F482 HydrophobicContact CG-CG 4.17Å; E474-F482 HydrophobicContact CG-CZ 3.69Å; E474-F482 WeakPolarHBondContact OE2-CZ 3.38Å; F482-T498 HydrophobicContact CD1-CG2 4.37Å; F482-T498 HydrophobicContact CE1-CG2 4.32Å
483V92.1Very high88.2Confident43 Ų4382 Ų8226%0.26149%0.486SS..EExtended strand (participates in β ladder)trans-125145.4178.4-620000110.4Q472 F473 K475 T481Q472-V483 CarbonylContact C-O 3.49Å; Q472-V483 WeakPolarHBondContact CA-O 3.43Å; Q472-V483 WeakPolarHBondContact CB-O 3.47Å; F473-V483 WeakPolarHBondContact CD1-O 3.47Å; F473-V483 HydrophobicContact CD2-CG2 4.06Å; F473-V483 HydrophobicContact CE1-CG2 4.21Å; F473-V483 HydrophobicContact CE2-CG2 3.7Å; F473-V483 HydrophobicContact CG-CG2 4.47Å; F473-V483 HydrophobicContact CZ-CG2 3.79Å; F473-V483 PolarHBondContact N-O 2.74Å; F473-V483 WeakPolarHBondContact O-CG2 3.35Å; F473-V483 PolarHBondContact O-N 3.16Å; K475-V483 HydrophobicContact CG-CG2 4.3Å; T481-V483 HydrophobicContact CG2-CG1 4.4Å
484H92.2Very high87.1Confident53 Ų5384.3 Ų84.325%0.24551%0.51CS..  trans-109.3141.6167.7171.855000108.7D466 A470 Q472 A495D466-H484 VanDerWaalsContact CG-ND1 3.31Å; D466-H484 IonicContact OD1-CE1 3.03Å; D466-H484 IonicContact OD1-CG 3.66Å; D466-H484 IonicContact OD1-ND1 3.96Å; D466-H484 PolarHBondContact OD1-ND1 3.33Å; D466-H484 IonicContact OD2-ND1 2.67Å; D466-H484 PolarHBondContact OD2-ND1 2.69Å; A470-H484 VanDerWaalsContact CB-CE1 3.42Å; A470-H484 WeakPolarHBondContact CB-CE1 3.47Å; Q472-H484 HydrophobicContact CG-CB 4.3Å; H484-A495 HydrophobicContact CB-CB 3.9Å
485V91.6Very high86.1Confident54 Ų5481.7 Ų81.733%0.32751%0.505SS..  trans-112.7133.8173.2172.60000109.1D466 F473 W487D466-V485 PolarHBondContact OD2-N 2.72Å; F473-V485 HydrophobicContact CE1-CB 4.46Å; F473-V485 HydrophobicContact CE1-CG2 3.88Å; F473-V485 HydrophobicContact CZ-CG2 3.75Å; V485-W487 VanDerWaalsContact C-N 3.28Å; V485-W487 HydrophobicContact CB-CD2 4.16Å; V485-W487 HydrophobicContact CB-CG 4.4Å; V485-W487 HydrophobicContact CB-CZ2 4.09Å; V485-W487 HydrophobicContact CG1-CD2 3.94Å; V485-W487 HydrophobicContact CG1-CE3 4.28Å; V485-W487 HydrophobicContact CG1-CG 4.18Å; V485-W487 HydrophobicContact CG1-CZ2 4.48Å; V485-W487 HydrophobicContact CG2-CZ2 4.42Å; V485-W487 PolarHBondContact O-N 3.45Å; V485-W487 PolarHBondContact O-NE1 2.97Å
486D91.4Very high84.9Confident69 Ų6978.2 Ų78.237%0.36949%0.494SS..  trans-74.189.7164177.213000109T488 G489 H490 G491D486-T488 PolarHBondContact O-N 3.41Å; D486-T488 PolarHBondContact OD1-N 3.48Å; D486-T488 VanDerWaalsContact OD1-N 3.08Å; D486-T488 PolarHBondContact OD1-OG1 3.3Å; D486-T488 VanDerWaalsContact OD1-OG1 3.05Å; D486-G489 PolarHBondContact OD1-N 3.36Å; D486-G489 WeakPolarHBondContact OD2-CA 3.45Å; D486-G489 PolarHBondContact OD2-N 3.38Å; D486-H490 PolarHBondContact OD2-N 3.48Å; D486-G491 WeakPolarHBondContact OD1-CA 3.21Å; D486-G491 PolarHBondContact OD1-N 3.17Å; D486-G491 PolarHBondContact OD2-N 2.99Å
487W92.9Very high83.7Confident101 Ų10177.3 Ų77.338%0.38349%0.488SS..SBendtrans-69.9-17.4-178.4-60.691.7000113.8A463 D466 Y467 F473 V485A463-W487 HydrophobicContact CB-CH2 4.04Å; A463-W487 HydrophobicContact CB-CZ2 4.12Å; D466-W487 PolarHBondContact OD2-NE1 3.23Å; Y467-W487 HydrophobicContact CD2-CB 3.17Å; Y467-W487 AromaticContact CD2-CD2 3.95Å; Y467-W487 HydrophobicContact CD2-CD2 3.95Å; Y467-W487 HydrophobicContact CD2-CE3 4.31Å; Y467-W487 AromaticContact CD2-CG 3.47Å; Y467-W487 HydrophobicContact CD2-CG 3.47Å; Y467-W487 VanDerWaalsContact CD2-CG 3.47Å; Y467-W487 HydrophobicContact CE2-CB 3.39Å; Y467-W487 HydrophobicContact CE2-CG 4.18Å; Y467-W487 HydrophobicContact CG-CB 3.94Å; Y467-W487 HydrophobicContact CG-CG 4.05Å; F473-W487 AromaticContact CE1-CZ2 3.79Å; F473-W487 HydrophobicContact CE1-CZ2 3.79Å; F473-W487 HydrophobicContact CZ-CZ2 4.21Å; V485-W487 VanDerWaalsContact C-N 3.28Å; V485-W487 HydrophobicContact CB-CD2 4.16Å; V485-W487 HydrophobicContact CB-CG 4.4Å; V485-W487 HydrophobicContact CB-CZ2 4.09Å; V485-W487 HydrophobicContact CG1-CD2 3.94Å; V485-W487 HydrophobicContact CG1-CE3 4.28Å; V485-W487 HydrophobicContact CG1-CG 4.18Å; V485-W487 HydrophobicContact CG1-CZ2 4.48Å; V485-W487 HydrophobicContact CG2-CZ2 4.42Å; V485-W487 PolarHBondContact O-N 3.45Å; V485-W487 PolarHBondContact O-NE1 2.97Å
488T90.3Very high82Confident64 Ų6475.5 Ų75.539%0.39348%0.482SS..SBendtrans-105.1-14.9-171.966.20000113.1Y467 D486 H490 G491Y467-T488 HydrophobicContact CE1-CG2 4.17Å; D486-T488 PolarHBondContact O-N 3.41Å; D486-T488 PolarHBondContact OD1-N 3.48Å; D486-T488 VanDerWaalsContact OD1-N 3.08Å; D486-T488 PolarHBondContact OD1-OG1 3.3Å; D486-T488 VanDerWaalsContact OD1-OG1 3.05Å; T488-H490 PolarHBondContact O-N 2.87Å; T488-H490 PolarHBondContact O-ND1 2.86Å; T488-H490 PolarHBondContact OG1-N 3.41Å; T488-G491 PolarHBondContact OG1-N 2.98Å
489G84.9Confident80.2Confident56 Ų5681.5 Ų81.558%0.57750%0.5SS*.SBendtrans70.31.9-171.100000114.1D486D486-G489 PolarHBondContact OD1-N 3.36Å; D486-G489 WeakPolarHBondContact OD2-CA 3.45Å; D486-G489 PolarHBondContact OD2-N 3.38Å
490H79.4Confident78.3Confident180 Ų18086 Ų8683%0.83351%0.513SS*.SBendtrans-132.42.3-179.3-55.683.3000111.6D486 T488D486-H490 PolarHBondContact OD2-N 3.48Å; T488-H490 PolarHBondContact O-N 2.87Å; T488-H490 PolarHBondContact O-ND1 2.86Å; T488-H490 PolarHBondContact OG1-N 3.41Å
491G66.5Low76.4Confident32 Ų3291.4 Ų91.433%0.3355%0.552SS.*  trans-77.5138.3177.500000110D486 T488D486-G491 WeakPolarHBondContact OD1-CA 3.21Å; D486-G491 PolarHBondContact OD1-N 3.17Å; D486-G491 PolarHBondContact OD2-N 2.99Å; T488-G491 PolarHBondContact OG1-N 2.98Å
492G65.2Low75.6Confident57 Ų5792.9 Ų92.959%0.58856%0.56SS**  trans-64.8155.417300000111.3A494G492-A494 PolarHBondContact O-N 3.29Å
493S70Confident74.7Confident126 Ų12693.1 Ų93.188%0.88157%0.569SS**SBendtrans-69.610.4177.9660000114.5
494A70.4Confident73.7Confident78 Ų7895.9 Ų95.965%0.64559%0.586SS**PPolyproline II helixtrans-88.1117.6-175.200000109.7G492G492-A494 PolarHBondContact O-N 3.29Å
495A74.2Confident72.6Confident39 Ų3998.4 Ų98.432%0.32261%0.606SS.*PPolyproline II helixtrans-94.5149.5172.700000111Q472 H484Q472-A495 HydrophobicContact CG-CB 3.8Å; H484-A495 HydrophobicContact CB-CB 3.9Å
496S70.1Confident71.4Confident37 Ų37101.2 Ų101.226%0.25962%0.624SS.*PPolyproline II helixtrans-66.7140.5168.876.60000109.5A470 H471A470-S496 PolarHBondContact O-N 3.35Å; A470-S496 PolarHBondContact O-OG 2.79Å; A470-S496 VanDerWaalsContact O-OG 3.04Å; H471-S496 WeakPolarHBondContact CA-OG 3.39Å; H471-S496 PolarHBondContact ND1-OG 2.66Å
497T69.7Low70.1Confident115 Ų115103.3 Ų103.371%0.70664%0.641SS**PPolyproline II helixtrans-66.7136.2172.250.60000109.4Y499T497-Y499 PolarHBondContact O-N 3.39Å
498T59.6Low68.5Low92 Ų92103.5 Ų103.556%0.56466%0.659SS**  trans-57.4111.1175.56.40000110F482F482-T498 HydrophobicContact CD1-CG2 4.37Å; F482-T498 HydrophobicContact CE1-CG2 4.32Å
499Y54Low66.8Low210 Ų210106.5 Ų106.582%0.82468%0.68SS**  trans-95.4126172.7-124.7-91.2000108.4T497T497-Y499 PolarHBondContact O-N 3.39Å
500Q52.3Low65.3Low192 Ų192110.8 Ų110.890%0.89769%0.688SS**  trans-92.2115162.5-72.8-177.2-20.700106.7
501A52.3Low64Low171 Ų171104.5 Ų104.5100%1.41368%0.675SS**  trans-85.70178.300000111

Retrieved 501 of 501 residues in 389.8 ms (Link to these results)

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