A0A093J2V5_STRCA Loading...

Protein atonal 7

AlphaFold DB , UniProt , Accession A0A093J2V5, Species STRCA (Struthio camelus australis), Gene n/a, Length 151 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
1M37.5Very low40.8Very low228 Ų228154 Ų154100%1.12384%0.841SS**  0125.30-77.4173151.300107.3
2K41.8Very low40.5Very low193 Ų193146.4 Ų146.484%0.83983%0.825SS**  cis-152.1144.5-1.3-84.1166.9-179.4173.70106.8
3T49.6Very low40.8Very low131 Ų131147.7 Ų147.780%0.80483%0.827SS**  trans-79.7162.8172.748.50000112.5
4C37Very low40.8Very low122 Ų122150.1 Ų150.182%0.82483%0.829SS**  trans169.2115.8135.3-89.10000107.4
5K43.9Very low41.1Very low207 Ų207146 Ų14690%0.982%0.815SS**  50.1107.561.3-80.7-171.5177.21800114.6
6S40.1Very low41.1Very low125 Ų125144.7 Ų144.787%0.87481%0.806SS**  -162121124.8-166.90000111.1
7S41.3Very low41.8Very low102 Ų102145.8 Ų145.871%0.71381%0.809SS**  trans-84.2136.4168.145.70000110.3
8H35Very low42.2Very low174 Ų174146.2 Ų146.281%0.80680%0.804SS**  trans-129.3109.2151.2-164.9-85.4000108.2
9L44Very low42.4Very low154 Ų154142.9 Ų142.981%0.80679%0.791SS**  trans-68.2121.7166.4-71.7148.5000106.8
10D33.3Very low43Very low146 Ų146147.1 Ų147.178%0.78179%0.794SS**  trans-115.5102.1155-162.513.3000108.3
11S45.6Very low43.6Very low112 Ų112144.9 Ų144.978%0.78379%0.79SS**  trans-75.2110.1169.441.10000108.8
12G37Very low44.6Very low63 Ų63135.7 Ų135.765%0.64975%0.753SS**  trans-16377.6176.700000112.3E14G12-E14 PolarHBondContact O-N 3.36Å
13L43.7Very low45.4Very low163 Ų163132.8 Ų132.885%0.85375%0.754SS**  trans30.989.6153.8-72.9132.3000115.8S15L13-S15 PolarHBondContact O-N 2.91Å
14E42.1Very low45.6Very low181 Ų181129.6 Ų129.685%0.84675%0.748SS**  trans-63.190.4143.9-83.7-152.9126.700107.1G12 D16G12-E14 PolarHBondContact O-N 3.36Å; E14-D16 PolarHBondContact O-N 3.41Å
15S45.1Very low46.4Very low89 Ų89125.9 Ų125.962%0.62272%0.722SS**  trans-71.186.4156.7520000106.5L13 L17L13-S15 PolarHBondContact O-N 2.91Å; S15-L17 PolarHBondContact O-N 3.08Å
16D41.4Very low47Very low125 Ų125120.9 Ų120.967%0.66871%0.709SS**  trans-45.595.4152.4-89.8-37.2000107.2E14 Q18E14-D16 PolarHBondContact O-N 3.41Å; D16-Q18 PolarHBondContact O-N 3Å
17L52.4Low47.9Very low164 Ų164120.5 Ų120.586%0.85970%0.701SS**  trans-71.468.7163.5-77.3162.9000106.6S15 C19S15-L17 PolarHBondContact O-N 3.08Å; L17-C19 VanDerWaalsContact C-N 3.26Å; L17-C19 PolarHBondContact O-N 3.31Å
18Q48.3Very low48.7Very low153 Ų153122.6 Ų122.672%0.71570%0.697SS**  trans-58.297.8161.8-167.493.435.600105.6D16 R20D16-Q18 PolarHBondContact O-N 3Å; Q18-R20 PolarHBondContact O-N 2.89Å
19C46.2Very low50Low83 Ų83116 Ų11656%0.56167%0.67SS**  trans-64.389.2176-148.70000107.3L17 S21 C25L17-C19 VanDerWaalsContact C-N 3.26Å; L17-C19 PolarHBondContact O-N 3.31Å; C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å; C19-C25 PolarHBondContact SG-SG 3.14Å
20R54.7Low51.1Low227 Ų227110.1 Ų110.186%0.85765%0.647SS**  trans-68.894.3171-79.8-170.5168.7-123.80.2106.7Q18 G22Q18-R20 PolarHBondContact O-N 2.89Å; R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.03Å
21S55.1Low53Low101 Ų101106.6 Ų106.671%0.70663%0.634SS**  trans-57.884.9178-56.80000111.5C19C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å
22G58.6Low54.5Low34 Ų34105.7 Ų105.735%0.35162%0.617SS.*  trans-80.7152.9155.900000110R20 G24 C25R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.03Å; G22-G24 PolarHBondContact O-N 3.27Å; G22-C25 WeakPolarHBondContact O-CB 3.28Å; G22-C25 PolarHBondContact O-N 2.97Å
23P58.6Low56.7Low133 Ų133111.2 Ų111.286%0.86462%0.618SS**THydrogen-bonded Turntrans-59.1-13.5-174.818-28.6000115.2
24G54.6Low58.6Low64 Ų64110.2 Ų110.266%0.6661%0.611SS**THydrogen-bonded Turntrans-87.5-13.6173.100000116.1G22G22-G24 PolarHBondContact O-N 3.27Å
25C52.6Low60.9Low43 Ų43106.4 Ų106.429%0.29159%0.593SS.*Hα-helixtrans-81.1-26.5-175.5178.70000113.3C19 G22 V27 C29C19-C25 PolarHBondContact SG-SG 3.14Å; G22-C25 WeakPolarHBondContact O-CB 3.28Å; G22-C25 PolarHBondContact O-N 2.97Å; C25-V27 VanDerWaalsContact C-N 3.33Å; C25-V27 PolarHBondContact O-N 3.06Å; C25-C29 WeakPolarHBondContact O-CB 3.23Å; C25-C29 PolarHBondContact O-N 3.13Å
26V57Low63.1Low102 Ų102106.3 Ų106.362%0.61859%0.586SS**Hα-helixtrans-66.1-37.5-172-171.90000111.5G30V26-G30 PolarHBondContact O-N 3.16Å; V26-G30 VanDerWaalsContact O-N 3.13Å
27V59.8Low65.6Low117 Ų117102.5 Ų102.571%0.70957%0.571SS**Hα-helixtrans-72.8-41.5-176.1-174.20000111.7C25 S31C25-V27 VanDerWaalsContact C-N 3.33Å; C25-V27 PolarHBondContact O-N 3.06Å; V27-S31 PolarHBondContact O-N 3.08Å
28K58.5Low67.6Low147 Ų14796 Ų9664%0.63954%0.542SS*.Hα-helixtrans-71.4-43.4-178.9-164.2175.3179.4-178.70112G30 S31 E32K28-G30 VanDerWaalsContact C-N 3.31Å; K28-G30 PolarHBondContact O-N 3.44Å; K28-S31 PolarHBondContact O-N 3.22Å; K28-E32 PolarHBondContact O-N 3.2Å; K28-E32 VanDerWaalsContact O-N 3.13Å
29C61.1Low69.9Low35 Ų3593.9 Ų93.924%0.23653%0.53CS..Hα-helixtrans-65.7-33.4176.7-166.30000112.2C25 R33C25-C29 WeakPolarHBondContact O-CB 3.23Å; C25-C29 PolarHBondContact O-N 3.13Å; C29-R33 VanDerWaalsContact O-CB 3.32Å; C29-R33 WeakPolarHBondContact O-CB 3.4Å; C29-R33 WeakPolarHBondContact O-CD 3.49Å; C29-R33 WeakPolarHBondContact O-CG 3.07Å; C29-R33 PolarHBondContact O-N 3.3Å; C29-R33 VanDerWaalsContact O-N 3.08Å; C29-R33 PolarHBondContact SG-NE 3.35Å
30G67.3Low72.3Confident31 Ų3199.2 Ų99.232%0.3254%0.538SS..Hα-helixtrans-64.1-45.2173.500000113V26 K28 R33 M34V26-G30 PolarHBondContact O-N 3.16Å; V26-G30 VanDerWaalsContact O-N 3.13Å; K28-G30 VanDerWaalsContact C-N 3.31Å; K28-G30 PolarHBondContact O-N 3.44Å; G30-R33 PolarHBondContact O-N 2.91Å; G30-M34 WeakPolarHBondContact O-CB 3.39Å; G30-M34 WeakPolarHBondContact O-CG 3.32Å; G30-M34 PolarHBondContact O-N 2.93Å
31S73.4Confident74.3Confident71 Ų7195.6 Ų95.650%0.49753%0.525SS..Hα-helixtrans-63.9-46.7179.4-170.20000112.4V27 K28 R33 M34 E35V27-S31 PolarHBondContact O-N 3.08Å; K28-S31 PolarHBondContact O-N 3.22Å; S31-R33 PolarHBondContact O-N 3.22Å; S31-M34 PolarHBondContact O-N 3.09Å; S31-E35 PolarHBondContact O-N 3.36Å
32E78.1Confident76.3Confident94 Ų9496 Ų9644%0.43952%0.519SS..Hα-helixtrans-64.9-38.9178-70172.1-17600112K28 E35 N36K28-E32 PolarHBondContact O-N 3.2Å; K28-E32 VanDerWaalsContact O-N 3.13Å; E32-E35 PolarHBondContact O-N 3.25Å; E32-N36 WeakPolarHBondContact O-CB 3.44Å; E32-N36 VanDerWaalsContact O-CG 3.23Å; E32-N36 PolarHBondContact O-N 3.4Å; E32-N36 PolarHBondContact O-ND2 3.41Å
33R81.3Confident78.2Confident179 Ų17996.6 Ų96.668%0.67552%0.52SS*.Hα-helixtrans-63.7-40.8173.2-75.2174.7-175-164.22.7111.7C29 G30 S31 A37C29-R33 VanDerWaalsContact O-CB 3.32Å; C29-R33 WeakPolarHBondContact O-CB 3.4Å; C29-R33 WeakPolarHBondContact O-CD 3.49Å; C29-R33 WeakPolarHBondContact O-CG 3.07Å; C29-R33 PolarHBondContact O-N 3.3Å; C29-R33 VanDerWaalsContact O-N 3.08Å; C29-R33 PolarHBondContact SG-NE 3.35Å; G30-R33 PolarHBondContact O-N 2.91Å; S31-R33 PolarHBondContact O-N 3.22Å; R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.09Å
34M85.1Confident80.1Confident141 Ų14192 Ų9270%0.69549%0.493SS*.Hα-helixtrans-66.6-41.1175.9-74.2-150.3-65.100112.3G30 S31 A37 A38G30-M34 WeakPolarHBondContact O-CB 3.39Å; G30-M34 WeakPolarHBondContact O-CG 3.32Å; G30-M34 PolarHBondContact O-N 2.93Å; S31-M34 PolarHBondContact O-N 3.09Å; M34-A37 PolarHBondContact O-N 3Å; M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 2.94Å
35E89.6Confident82.2Confident101 Ų10192.8 Ų92.847%0.47248%0.482SS..Hα-helixtrans-63.5-44.9175.6-167.7-169.1151.200111.3S31 E32 A37 A38 K39S31-E35 PolarHBondContact O-N 3.36Å; E32-E35 PolarHBondContact O-N 3.25Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; E35-A38 WeakPolarHBondContact O-CB 3.38Å; E35-A38 PolarHBondContact O-N 3.5Å; E35-A38 VanDerWaalsContact O-N 3.16Å; E35-K39 WeakPolarHBondContact O-CG 3.16Å; E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.83Å; E35-K39 PolarHBondContact OE1-NZ 3.16Å
36N91.4Very high84.4Confident88 Ų8892.5 Ų92.547%0.47148%0.483SS..Hα-helixtrans-64.3-38176.3-73.2-26.3000112.2E32 K39 R40E32-N36 WeakPolarHBondContact O-CB 3.44Å; E32-N36 VanDerWaalsContact O-CG 3.23Å; E32-N36 PolarHBondContact O-N 3.4Å; E32-N36 PolarHBondContact O-ND2 3.41Å; N36-K39 PolarHBondContact O-N 3.34Å; N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.38Å; N36-R40 PolarHBondContact O-N 3.11Å
37A93.8Very high86.3Confident44 Ų4494.1 Ų94.136%0.36448%0.478SS..Hα-helixtrans-63.6-40.6172.400000111.8R33 M34 E35 R40 R41R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.09Å; M34-A37 PolarHBondContact O-N 3Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; A37-R40 PolarHBondContact O-N 2.99Å; A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 PolarHBondContact O-N 3.39Å
38A94.8Very high88.2Confident29 Ų2992.4 Ų92.424%0.2446%0.462CS..Hα-helixtrans-63.6-45.617500000111.8M34 E35 R40 R41 L42M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 2.94Å; E35-A38 WeakPolarHBondContact O-CB 3.38Å; E35-A38 PolarHBondContact O-N 3.5Å; E35-A38 VanDerWaalsContact O-N 3.16Å; A38-R40 PolarHBondContact O-N 3.33Å; A38-R41 PolarHBondContact O-N 3.46Å; A38-L42 WeakPolarHBondContact O-CG 3.48Å; A38-L42 PolarHBondContact O-N 3.48Å
39K95.6Very high90.1Very high108 Ų10892.9 Ų92.947%0.4746%0.46SS..Hα-helixtrans-58-45.5174.8-72.5173.9-177.1165.90111.9E35 N36 R41 L42 A43E35-K39 WeakPolarHBondContact O-CG 3.16Å; E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.83Å; E35-K39 PolarHBondContact OE1-NZ 3.16Å; N36-K39 PolarHBondContact O-N 3.34Å; K39-R41 PolarHBondContact O-N 2.93Å; K39-L42 PolarHBondContact O-N 3.42Å; K39-A43 WeakPolarHBondContact O-CB 3.41Å; K39-A43 PolarHBondContact O-N 2.88Å
40R96.7Very high91.9Very high194 Ų19499.2 Ų99.273%0.73248%0.478SS*.Hα-helixtrans-61-43.1176.1-73.3171.365.8-155.90.6112.1N36 A37 A38 A43 A44N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.38Å; N36-R40 PolarHBondContact O-N 3.11Å; A37-R40 PolarHBondContact O-N 2.99Å; A38-R40 PolarHBondContact O-N 3.33Å; R40-A43 PolarHBondContact O-N 3.35Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.99Å
41R97.6Very high93.4Very high152 Ų152105.2 Ų105.257%0.57449%0.491SS*.Hα-helixtrans-63.8-44176.7-176171.462.1-118.80.8111.6A37 A38 K39 A43 A44 N45A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 PolarHBondContact O-N 3.39Å; A38-R41 PolarHBondContact O-N 3.46Å; K39-R41 PolarHBondContact O-N 2.93Å; R41-A43 PolarHBondContact O-N 3.21Å; R41-A44 PolarHBondContact O-N 3.42Å; R41-N45 PolarHBondContact O-N 3.29Å
42L97.7Very high94.6Very high110 Ų110104.7 Ų104.758%0.57648%0.482SS*.Hα-helixtrans-60.8-45.4175.7-72171.3000111.7A38 K39 A44 N45 A46A38-L42 WeakPolarHBondContact O-CG 3.48Å; A38-L42 PolarHBondContact O-N 3.48Å; K39-L42 PolarHBondContact O-N 3.42Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3Å; L42-N45 PolarHBondContact O-N 3.46Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å
43A97.8Very high95.5Very high45 Ų45106 Ų10637%0.37249%0.488SS..Hα-helixtrans-62.1-40.2176.100000112K39 R40 R41 A46 R47K39-A43 WeakPolarHBondContact O-CB 3.41Å; K39-A43 PolarHBondContact O-N 2.88Å; R40-A43 PolarHBondContact O-N 3.35Å; R41-A43 PolarHBondContact O-N 3.21Å; A43-A46 PolarHBondContact O-N 2.95Å; A43-R47 WeakPolarHBondContact O-CG 3.49Å; A43-R47 PolarHBondContact O-N 3.37Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A43-R47 PolarHBondContact O-NH1 3.48Å
44A98.1Very high96.3Very high37 Ų3799.5 Ų99.531%0.30648%0.477SS..Hα-helixtrans-62.9-46.8174.800000112.2R40 R41 L42 A46 R47 E48R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.99Å; R41-A44 PolarHBondContact O-N 3.42Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.98Å; A44-R47 WeakPolarHBondContact O-CB 3.41Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; A44-E48 PolarHBondContact O-N 3.11Å
45N98.6Very high97Very high81 Ų8196 Ų9643%0.43346%0.461SS..Hα-helixtrans-61.6-38.9176.9-71.4-11000112R41 L42 R47 E48 R49R41-N45 PolarHBondContact O-N 3.29Å; L42-N45 PolarHBondContact O-N 3.46Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.03Å; N45-E48 PolarHBondContact O-N 3.48Å; N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 2.97Å
46A98.5Very high97.4Very high36 Ų3694 Ų9430%0.29845%0.453SS..Hα-helixtrans-64.8-35.5175.400000112.6L42 A43 A44 R50L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å; A43-A46 PolarHBondContact O-N 2.95Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.98Å; A46-R50 PolarHBondContact O-N 2.69Å
47R98.6Very high97.7Very high137 Ų13793.2 Ų93.252%0.51745%0.452SS..Hα-helixtrans-67.4-45.8173.5-71.3-171.7-58.5-90.55.4111.6A43 A44 N45 R49 R50 R51A43-R47 WeakPolarHBondContact O-CG 3.49Å; A43-R47 PolarHBondContact O-N 3.37Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A43-R47 PolarHBondContact O-NH1 3.48Å; A44-R47 WeakPolarHBondContact O-CB 3.41Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.03Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 2.94Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.16Å; R47-R51 PolarHBondContact O-N 3.23Å
48E98.5Very high97.9Very high80 Ų8093.9 Ų93.937%0.37446%0.457SS..Hα-helixtrans-65.6-36.7-179.9-176.656.4-163.300112.1A44 N45 R50 R51 M52A44-E48 PolarHBondContact O-N 3.11Å; N45-E48 PolarHBondContact O-N 3.48Å; E48-R50 VanDerWaalsContact C-N 3.34Å; E48-R50 PolarHBondContact O-N 3.22Å; E48-R51 VanDerWaalsContact CD-NE 3.34Å; E48-R51 WeakPolarHBondContact O-CB 3.2Å; E48-R51 PolarHBondContact O-N 3.07Å; E48-R51 IonicContact OE1-CZ 3.84Å; E48-R51 IonicContact OE1-NE 3.87Å; E48-R51 PolarHBondContact OE1-NE 2.98Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 WeakPolarHBondContact OE2-CD 3.46Å; E48-R51 IonicContact OE2-CZ 2.71Å; E48-R51 IonicContact OE2-NE 3.38Å; E48-R51 PolarHBondContact OE2-NE 3.32Å; E48-R51 IonicContact OE2-NH2 2.75Å; E48-M52 WeakPolarHBondContact O-CB 3.28Å; E48-M52 PolarHBondContact O-N 3.3Å; E48-M52 WeakPolarHBondContact OE1-CE 3.33Å
49R98.7Very high98.1Very high157 Ų15794.1 Ų94.159%0.59245%0.453SS*.Hα-helixtrans-57.9-45171.9-79.3-169.4-73.7-121.53.4112.2N45 R47 M52 Q53N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 2.97Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 2.94Å; R49-M52 PolarHBondContact O-N 3.41Å; R49-Q53 WeakPolarHBondContact O-CB 3.24Å; R49-Q53 VanDerWaalsContact O-CG 3.29Å; R49-Q53 WeakPolarHBondContact O-CG 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å
50R98.4Very high98.1Very high168 Ų16891.7 Ų91.763%0.63445%0.445SS*.Hα-helixtrans-63.3-42.4176.1-75.8-173.9-76.5159.2-9.5112A46 R47 E48 M52 Q53 G54A46-R50 PolarHBondContact O-N 2.69Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.16Å; E48-R50 VanDerWaalsContact C-N 3.34Å; E48-R50 PolarHBondContact O-N 3.22Å; R50-M52 VanDerWaalsContact C-N 3.33Å; R50-M52 PolarHBondContact O-N 3.08Å; R50-Q53 PolarHBondContact O-N 2.93Å; R50-G54 PolarHBondContact O-N 3.49Å; R50-G54 VanDerWaalsContact O-N 3.15Å
51R98.6Very high98.1Very high157 Ų15791 Ų9159%0.59244%0.442SS*.Hα-helixtrans-58.1-47.4174.7-166.1-17481110.52.1111.1R47 E48 G54 L55R47-R51 PolarHBondContact O-N 3.23Å; E48-R51 VanDerWaalsContact CD-NE 3.34Å; E48-R51 WeakPolarHBondContact O-CB 3.2Å; E48-R51 PolarHBondContact O-N 3.07Å; E48-R51 IonicContact OE1-CZ 3.84Å; E48-R51 IonicContact OE1-NE 3.87Å; E48-R51 PolarHBondContact OE1-NE 2.98Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 WeakPolarHBondContact OE2-CD 3.46Å; E48-R51 IonicContact OE2-CZ 2.71Å; E48-R51 IonicContact OE2-NE 3.38Å; E48-R51 PolarHBondContact OE2-NE 3.32Å; E48-R51 IonicContact OE2-NH2 2.75Å; R51-G54 PolarHBondContact O-N 3.29Å; R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.15Å
52M98.6Very high98.1Very high60 Ų6086.4 Ų86.430%0.29643%0.429SS..Hα-helixtrans-69.3-34.2-178.9-162.857.554.100112.9E48 R49 R50 G54 L55 N56E48-M52 WeakPolarHBondContact O-CB 3.28Å; E48-M52 PolarHBondContact O-N 3.3Å; E48-M52 WeakPolarHBondContact OE1-CE 3.33Å; R49-M52 PolarHBondContact O-N 3.41Å; R50-M52 VanDerWaalsContact C-N 3.33Å; R50-M52 PolarHBondContact O-N 3.08Å; M52-G54 VanDerWaalsContact C-N 3.34Å; M52-L55 PolarHBondContact O-N 3.22Å; M52-L55 HydrophobicContact SD-CB 4.3Å; M52-L55 HydrophobicContact SD-CD1 4.29Å; M52-L55 HydrophobicContact SD-CD2 4.02Å; M52-L55 HydrophobicContact SD-CG 4.45Å; M52-N56 WeakPolarHBondContact O-CB 3.49Å; M52-N56 VanDerWaalsContact O-CG 3.29Å; M52-N56 PolarHBondContact O-N 2.9Å; M52-N56 PolarHBondContact O-ND2 3.48Å
53Q98.5Very high98Very high122 Ų12282.2 Ų82.257%0.5741%0.405SS*.Hα-helixtrans-57.8-47.1170.8-78.2170.9-14.400110.8R49 R50 L55 N56 T57R49-Q53 WeakPolarHBondContact O-CB 3.24Å; R49-Q53 VanDerWaalsContact O-CG 3.29Å; R49-Q53 WeakPolarHBondContact O-CG 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å; R50-Q53 PolarHBondContact O-N 2.93Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.42Å; Q53-N56 PolarHBondContact O-N 3.45Å; Q53-T57 PolarHBondContact O-N 3.08Å; Q53-T57 PolarHBondContact O-OG1 3.21Å; Q53-T57 VanDerWaalsContact O-OG1 3.07Å
54G98.1Very high97.8Very high43 Ų4388.6 Ų88.644%0.44343%0.425SS..Hα-helixtrans-58.5-43.2175.700000113.1R50 R51 M52 T57 A58R50-G54 PolarHBondContact O-N 3.49Å; R50-G54 VanDerWaalsContact O-N 3.15Å; R51-G54 PolarHBondContact O-N 3.29Å; M52-G54 VanDerWaalsContact C-N 3.34Å; G54-T57 PolarHBondContact O-N 3.13Å; G54-A58 PolarHBondContact O-N 3.13Å
55L98.3Very high97.7Very high67 Ų6791.6 Ų91.635%0.35144%0.439SS..Hα-helixtrans-61.7-44.9174.8-177.5151000112R51 M52 Q53 T57 A58 F59R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.15Å; M52-L55 PolarHBondContact O-N 3.22Å; M52-L55 HydrophobicContact SD-CB 4.3Å; M52-L55 HydrophobicContact SD-CD1 4.29Å; M52-L55 HydrophobicContact SD-CD2 4.02Å; M52-L55 HydrophobicContact SD-CG 4.45Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.42Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 3.07Å; L55-A58 PolarHBondContact O-N 3.09Å; L55-F59 HydrophobicContact CD2-CD2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.34Å; L55-F59 PolarHBondContact O-N 3.48Å
56N98Very high97.5Very high59 Ų5988.1 Ų88.132%0.31642%0.42SS..Hα-helixtrans-65.5-37.6179.1-70.6-23.1000111.4M52 Q53 A58 F59 D60 K77M52-N56 WeakPolarHBondContact O-CB 3.49Å; M52-N56 VanDerWaalsContact O-CG 3.29Å; M52-N56 PolarHBondContact O-N 2.9Å; M52-N56 PolarHBondContact O-ND2 3.48Å; Q53-N56 PolarHBondContact O-N 3.45Å; N56-A58 PolarHBondContact O-N 2.86Å; N56-F59 WeakPolarHBondContact O-CB 3.38Å; N56-F59 PolarHBondContact O-N 3.07Å; N56-D60 PolarHBondContact O-N 3.18Å; N56-K77 WeakPolarHBondContact OD1-CE 3.27Å; N56-K77 PolarHBondContact OD1-NZ 2.89Å
57T98.2Very high97.2Very high72 Ų7288.7 Ų88.744%0.44242%0.421SS..Hα-helixtrans-61.1-42172.5-58.60000111.9Q53 G54 L55 D60 R61Q53-T57 PolarHBondContact O-N 3.08Å; Q53-T57 PolarHBondContact O-OG1 3.21Å; Q53-T57 VanDerWaalsContact O-OG1 3.07Å; G54-T57 PolarHBondContact O-N 3.13Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 3.07Å; T57-D60 PolarHBondContact O-N 3.1Å; T57-R61 WeakPolarHBondContact O-CG 3.34Å; T57-R61 PolarHBondContact O-N 3.38Å
58A98.3Very high96.6Very high57 Ų5785.9 Ų85.947%0.47141%0.414SS..Hα-helixtrans-63.3-42.8175.300000111.9G54 L55 N56 D60 R61 L62G54-A58 PolarHBondContact O-N 3.13Å; L55-A58 PolarHBondContact O-N 3.09Å; N56-A58 PolarHBondContact O-N 2.86Å; A58-D60 VanDerWaalsContact C-N 3.31Å; A58-D60 PolarHBondContact O-N 3.32Å; A58-R61 WeakPolarHBondContact O-CB 3.49Å; A58-R61 PolarHBondContact O-N 2.97Å; A58-L62 PolarHBondContact O-N 3.15Å
59F98Very high95.2Very high34 Ų3493.3 Ų93.315%0.14944%0.439CS..Hα-helixtrans-60-39.8173.8-105.1-80.3000112.5L55 N56 L62 R63 K77 T80 L81L55-F59 HydrophobicContact CD2-CD2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.34Å; L55-F59 PolarHBondContact O-N 3.48Å; N56-F59 WeakPolarHBondContact O-CB 3.38Å; N56-F59 PolarHBondContact O-N 3.07Å; F59-L62 PolarHBondContact O-N 3.46Å; F59-R63 WeakPolarHBondContact O-CG 3.42Å; F59-R63 PolarHBondContact O-N 3.41Å; F59-K77 HydrophobicContact CD1-CB 4.42Å; F59-K77 HydrophobicContact CD1-CG 4.14Å; F59-K77 HydrophobicContact CE1-CB 3.77Å; F59-K77 HydrophobicContact CE1-CG 3.93Å; F59-K77 WeakPolarHBondContact CE1-O 3.29Å; F59-K77 HydrophobicContact CE2-CD 4.34Å; F59-K77 HydrophobicContact CE2-CG 4.48Å; F59-K77 HydrophobicContact CZ-CB 3.96Å; F59-K77 HydrophobicContact CZ-CD 4.33Å; F59-K77 HydrophobicContact CZ-CG 4.11Å; F59-T80 HydrophobicContact CD1-CG2 4.26Å; F59-L81 HydrophobicContact CE1-CD2 4.18Å; F59-L81 HydrophobicContact CE1-CG 4.06Å; F59-L81 HydrophobicContact CZ-CD1 4.15Å; F59-L81 HydrophobicContact CZ-CD2 4.1Å; F59-L81 HydrophobicContact CZ-CG 4.09Å
60D96.3Very high93.8Very high57 Ų5789 Ų8931%0.30544%0.443SS..Hα-helixtrans-69.3-34.5177.4-72-18.8000112.4N56 T57 A58 R63 K64 K74N56-D60 PolarHBondContact O-N 3.18Å; T57-D60 PolarHBondContact O-N 3.1Å; A58-D60 VanDerWaalsContact C-N 3.31Å; A58-D60 PolarHBondContact O-N 3.32Å; D60-R63 PolarHBondContact O-N 3.35Å; D60-R63 IonicContact OD1-CZ 3.11Å; D60-R63 IonicContact OD1-NH1 3.21Å; D60-R63 PolarHBondContact OD1-NH1 3.35Å; D60-K64 WeakPolarHBondContact O-CG 3.43Å; D60-K64 PolarHBondContact O-N 3.47Å; D60-K74 VanDerWaalsContact CG-NZ 3.32Å; D60-K74 WeakPolarHBondContact OD1-CE 3.27Å; D60-K74 IonicContact OD1-NZ 3Å; D60-K74 PolarHBondContact OD1-NZ 2.86Å; D60-K74 IonicContact OD2-NZ 2.65Å; D60-K74 PolarHBondContact OD2-NZ 3.23Å
61R97.1Very high92.3Very high180 Ų18089.8 Ų89.868%0.67945%0.454SS*.Hα-helixtrans-63.8-42.9170.5-69.7175.8-177.4-163.1-0.2111.5T57 A58 R63 K64T57-R61 WeakPolarHBondContact O-CG 3.34Å; T57-R61 PolarHBondContact O-N 3.38Å; A58-R61 WeakPolarHBondContact O-CB 3.49Å; A58-R61 PolarHBondContact O-N 2.97Å; R61-R63 PolarHBondContact O-N 3.04Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.26Å
62L97.4Very high90.9Very high55 Ų5590.3 Ų90.329%0.28847%0.469SS..Hα-helixtrans-60.3-44.7176.5-179.159.5000111.4A58 F59 K64 V65 V66 T80 L81 A84A58-L62 PolarHBondContact O-N 3.15Å; F59-L62 PolarHBondContact O-N 3.46Å; L62-K64 PolarHBondContact O-N 3.15Å; L62-K64 VanDerWaalsContact O-N 3.13Å; L62-V65 HydrophobicContact CD1-CG2 4.22Å; L62-V65 WeakPolarHBondContact O-CG2 3.39Å; L62-V65 PolarHBondContact O-N 3.36Å; L62-V65 VanDerWaalsContact O-N 3.08Å; L62-V66 HydrophobicContact CD1-CG2 3.77Å; L62-V66 HydrophobicContact CG-CG2 3.95Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.49Å; L62-V66 PolarHBondContact O-N 3.3Å; L62-V66 VanDerWaalsContact O-N 3.13Å; L62-T80 HydrophobicContact CB-CG2 4.37Å; L62-T80 HydrophobicContact CD2-CG2 3.8Å; L62-T80 HydrophobicContact CG-CG2 3.86Å; L62-L81 HydrophobicContact CD2-CD2 4.39Å; L62-A84 HydrophobicContact CD1-CB 4.05Å; L62-A84 HydrophobicContact CD2-CB 4.21Å; L62-A84 HydrophobicContact CG-CB 4.43Å
63R95.8Very high90.2Very high23 Ų2395 Ų959%0.08749%0.487CS..Hα-helixtrans-57.2-29.6177.5-73.6-179.7-175.888.515.6114.2F59 D60 R61 V65 Q68 L75 T80F59-R63 WeakPolarHBondContact O-CG 3.42Å; F59-R63 PolarHBondContact O-N 3.41Å; D60-R63 PolarHBondContact O-N 3.35Å; D60-R63 IonicContact OD1-CZ 3.11Å; D60-R63 IonicContact OD1-NH1 3.21Å; D60-R63 PolarHBondContact OD1-NH1 3.35Å; R61-R63 PolarHBondContact O-N 3.04Å; R63-V65 VanDerWaalsContact C-N 3.29Å; R63-V65 PolarHBondContact O-N 3.46Å; R63-Q68 PolarHBondContact O-NE2 3.02Å; R63-L75 VanDerWaalsContact CZ-O 3.32Å; R63-L75 PolarHBondContact NE-O 3.3Å; R63-L75 PolarHBondContact NH2-O 2.99Å; R63-T80 HydrophobicContact CG-CG2 3.7Å; R63-T80 PolarHBondContact NE-OG1 2.71Å; R63-T80 PolarHBondContact NH2-OG1 2.75Å
64K94.2Very high89.7Confident179 Ų17995.1 Ų95.178%0.77849%0.486SS*.Hα-helixtrans-70.1-25.4179.4-69179.1179.5-168.80113.4D60 R61 L62D60-K64 WeakPolarHBondContact O-CG 3.43Å; D60-K64 PolarHBondContact O-N 3.47Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.26Å; L62-K64 PolarHBondContact O-N 3.15Å; L62-K64 VanDerWaalsContact O-N 3.13Å
65V95.3Very high89.4Confident99 Ų9994.5 Ų94.560%0.647%0.472SS*.Hα-helixtrans-106.5-9.4-177.3-59.50000112.8L62 R63 Y87L62-V65 HydrophobicContact CD1-CG2 4.22Å; L62-V65 WeakPolarHBondContact O-CG2 3.39Å; L62-V65 PolarHBondContact O-N 3.36Å; L62-V65 VanDerWaalsContact O-N 3.08Å; R63-V65 VanDerWaalsContact C-N 3.29Å; R63-V65 PolarHBondContact O-N 3.46Å; V65-Y87 WeakPolarHBondContact O-CE1 3.46Å
66V94.6Very high89.2Confident8 Ų893.8 Ų93.85%0.04847%0.473CS..SBendtrans-88.3129.2176.3171.40000109L62 Q68 L75 M83 A84L62-V66 HydrophobicContact CD1-CG2 3.77Å; L62-V66 HydrophobicContact CG-CG2 3.95Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.49Å; L62-V66 PolarHBondContact O-N 3.3Å; L62-V66 VanDerWaalsContact O-N 3.13Å; V66-Q68 WeakPolarHBondContact O-CG 3.33Å; V66-L75 HydrophobicContact CG1-CD1 4.41Å; V66-M83 HydrophobicContact CG1-CB 3.32Å; V66-M83 HydrophobicContact CG1-CG 4.4Å; V66-A84 HydrophobicContact CG2-CB 3.78Å
67P92.8Very high89.2Confident48 Ų4895.3 Ų95.331%0.31248%0.477SS..  trans-56.9140.2175.1-24.533.2000112.1M83 Y87P67-M83 VanDerWaalsContact O-CE 3.27Å; P67-M83 WeakPolarHBondContact O-CE 2.96Å; P67-Y87 VanDerWaalsContact CD-CD1 3.47Å; P67-Y87 HydrophobicContact CG-CD1 4.08Å; P67-Y87 HydrophobicContact CG-CD2 3.63Å; P67-Y87 HydrophobicContact CG-CE1 4.11Å; P67-Y87 HydrophobicContact CG-CE2 3.68Å; P67-Y87 HydrophobicContact CG-CG 3.84Å
68Q86.2Confident89.1Confident79 Ų7999.5 Ų99.537%0.36949%0.486SS..  trans-129.1130.4178.8-54.3-175.116.600109.6R63 V66 L75R63-Q68 PolarHBondContact O-NE2 3.02Å; V66-Q68 WeakPolarHBondContact O-CG 3.33Å; Q68-L75 HydrophobicContact CG-CD1 3.99Å; Q68-L75 HydrophobicContact CG-CG 4.35Å
69W68.9Low89Confident236 Ų236100.6 Ų100.689%0.89448%0.481SS*.  trans-98.9112.4173.8-77.3-67.6000109.7M83W69-M83 HydrophobicContact CE3-CE 4.01Å; W69-M83 HydrophobicContact CZ3-CE 3.71Å; W69-M83 HydrophobicContact CZ3-SD 4.42Å
70G69.5Low88.9Confident66 Ų6699 Ų9968%0.6847%0.474SS*.SBendtrans116.9158.5178.500000113.9D72G70-D72 PolarHBondContact O-N 3.29Å
71Q65.6Low89Confident184 Ų184100.7 Ų100.786%0.8648%0.482SS*.SBendtrans-61.2127.3-179.1-66178.3-18.500111.4K73Q71-K73 PolarHBondContact O-N 2.89Å
72D70Confident89Confident169 Ų16996.1 Ų96.190%0.90447%0.469SS*.SBendtrans37.68.8160.2-59.2-24.2000120.2G70 K74G70-D72 PolarHBondContact O-N 3.29Å; D72-K74 PolarHBondContact O-N 3.18Å
73K82.3Confident88.9Confident157 Ų15795.5 Ų95.568%0.68347%0.465SS*.  trans-81.4114.5-175.5-175.6-175.5172-1690109.7Q71 L75Q71-K73 PolarHBondContact O-N 2.89Å; K73-L75 PolarHBondContact O-N 3.48Å; K73-L75 VanDerWaalsContact O-N 3.14Å
74K88.1Confident89Confident125 Ų12595 Ų9554%0.54347%0.466SS..  trans-60.7114.9174.9-170173.8-175.2165.80111.3D60 D72D60-K74 VanDerWaalsContact CG-NZ 3.32Å; D60-K74 WeakPolarHBondContact OD1-CE 3.27Å; D60-K74 IonicContact OD1-NZ 3Å; D60-K74 PolarHBondContact OD1-NZ 2.86Å; D60-K74 IonicContact OD2-NZ 2.65Å; D60-K74 PolarHBondContact OD2-NZ 3.23Å; D72-K74 PolarHBondContact O-N 3.18Å
75L92Very high89.2Confident31 Ų3191 Ų9116%0.16245%0.452CS..  trans-56.2141.5173-64.6177.5000112R63 V66 Q68 K73 E79 M83R63-L75 VanDerWaalsContact CZ-O 3.32Å; R63-L75 PolarHBondContact NE-O 3.3Å; R63-L75 PolarHBondContact NH2-O 2.99Å; V66-L75 HydrophobicContact CG1-CD1 4.41Å; Q68-L75 HydrophobicContact CG-CD1 3.99Å; Q68-L75 HydrophobicContact CG-CG 4.35Å; K73-L75 PolarHBondContact O-N 3.48Å; K73-L75 VanDerWaalsContact O-N 3.14Å; L75-E79 HydrophobicContact CB-CB 4.21Å; L75-E79 HydrophobicContact CD2-CB 4.26Å; L75-M83 HydrophobicContact CD1-CB 4.48Å; L75-M83 HydrophobicContact CD1-CG 4.2Å
76S95.3Very high89.2Confident52 Ų5289.4 Ų89.436%0.36445%0.445SS..  trans-62167170.371.90000111.4Y78 E79 T80S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.28Å; S76-E79 WeakPolarHBondContact CA-OE2 3.39Å; S76-E79 WeakPolarHBondContact CB-OE2 3.43Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 PolarHBondContact O-N 3Å; S76-E79 WeakPolarHBondContact OG-CB 3.42Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.24Å; S76-E79 WeakPolarHBondContact OG-CG 3.4Å; S76-E79 PolarHBondContact OG-N 2.98Å; S76-E79 PolarHBondContact OG-OE2 3.47Å; S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 PolarHBondContact O-OG1 2.83Å
77K96.7Very high89.4Confident91 Ų9193.2 Ų93.240%0.39646%0.46SS..Hα-helixtrans-59.7-42.8178.4-70.8-174.2176.7-174.80111.6N56 F59 L81N56-K77 WeakPolarHBondContact OD1-CE 3.27Å; N56-K77 PolarHBondContact OD1-NZ 2.89Å; F59-K77 HydrophobicContact CD1-CB 4.42Å; F59-K77 HydrophobicContact CD1-CG 4.14Å; F59-K77 HydrophobicContact CE1-CB 3.77Å; F59-K77 HydrophobicContact CE1-CG 3.93Å; F59-K77 WeakPolarHBondContact CE1-O 3.29Å; F59-K77 HydrophobicContact CE2-CD 4.34Å; F59-K77 HydrophobicContact CE2-CG 4.48Å; F59-K77 HydrophobicContact CZ-CB 3.96Å; F59-K77 HydrophobicContact CZ-CD 4.33Å; F59-K77 HydrophobicContact CZ-CG 4.11Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.63Å
78Y97.2Very high89.6Confident159 Ų15996.1 Ų96.162%0.62447%0.471SS*.Hα-helixtrans-65.8-50179.1175.8-102.8000111.7S76 T80 L81 Q82S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.28Å; Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.21Å; Y78-L81 PolarHBondContact O-N 3.42Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; Y78-Q82 HydrophobicContact CD1-CG 4.23Å; Y78-Q82 HydrophobicContact CD2-CG 4.42Å; Y78-Q82 HydrophobicContact CE1-CG 3.74Å; Y78-Q82 HydrophobicContact CE2-CG 3.96Å; Y78-Q82 PolarHBondContact O-N 3.18Å; Y78-Q82 PolarHBondContact OH-NE2 3.45Å
79E95.1Very high90.1Very high81 Ų8196.3 Ų96.338%0.37947%0.473SS..Hα-helixtrans-59.6-40.9178.2-68.8162.7138.500111.6L75 S76 L81 Q82 M83L75-E79 HydrophobicContact CB-CB 4.21Å; L75-E79 HydrophobicContact CD2-CB 4.26Å; S76-E79 WeakPolarHBondContact CA-OE2 3.39Å; S76-E79 WeakPolarHBondContact CB-OE2 3.43Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 PolarHBondContact O-N 3Å; S76-E79 WeakPolarHBondContact OG-CB 3.42Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.24Å; S76-E79 WeakPolarHBondContact OG-CG 3.4Å; S76-E79 PolarHBondContact OG-N 2.98Å; S76-E79 PolarHBondContact OG-OE2 3.47Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.28Å; E79-Q82 PolarHBondContact O-N 3.5Å; E79-M83 WeakPolarHBondContact O-CB 3.47Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.96Å
80T96.7Very high91.3Very high0 Ų086.9 Ų86.90%045%0.446CS..Hα-helixtrans-58.5-42.4176.7-53.60000111.4F59 L62 R63 S76 Y78 A84F59-T80 HydrophobicContact CD1-CG2 4.26Å; L62-T80 HydrophobicContact CB-CG2 4.37Å; L62-T80 HydrophobicContact CD2-CG2 3.8Å; L62-T80 HydrophobicContact CG-CG2 3.86Å; R63-T80 HydrophobicContact CG-CG2 3.7Å; R63-T80 PolarHBondContact NE-OG1 2.71Å; R63-T80 PolarHBondContact NH2-OG1 2.75Å; S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 PolarHBondContact O-OG1 2.83Å; Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.21Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.41Å
81L98.1Very high92.6Very high92 Ų9287 Ų8748%0.48243%0.431SS..Hα-helixtrans-70-42.8179.5-67.5174.9000112F59 L62 K77 Y78 E79 A84 L85F59-L81 HydrophobicContact CE1-CD2 4.18Å; F59-L81 HydrophobicContact CE1-CG 4.06Å; F59-L81 HydrophobicContact CZ-CD1 4.15Å; F59-L81 HydrophobicContact CZ-CD2 4.1Å; F59-L81 HydrophobicContact CZ-CG 4.09Å; L62-L81 HydrophobicContact CD2-CD2 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.63Å; Y78-L81 PolarHBondContact O-N 3.42Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.28Å; L81-A84 PolarHBondContact O-N 3Å; L81-L85 PolarHBondContact O-N 3.04Å
82Q97Very high94Very high84 Ų8482.3 Ų82.339%0.39341%0.414SS..Hα-helixtrans-60.3-48.5175.9-73.8-67.1-38.500111.2Y78 E79 A84 L85 S86Y78-Q82 HydrophobicContact CD1-CG 4.23Å; Y78-Q82 HydrophobicContact CD2-CG 4.42Å; Y78-Q82 HydrophobicContact CE1-CG 3.74Å; Y78-Q82 HydrophobicContact CE2-CG 3.96Å; Y78-Q82 PolarHBondContact O-N 3.18Å; Y78-Q82 PolarHBondContact OH-NE2 3.45Å; E79-Q82 PolarHBondContact O-N 3.5Å; Q82-A84 PolarHBondContact O-N 2.83Å; Q82-L85 PolarHBondContact O-N 3.11Å; Q82-S86 PolarHBondContact O-N 3.48Å; Q82-S86 PolarHBondContact O-OG 3.38Å
83M95.5Very high95Very high43 Ų4380.6 Ų80.621%0.21240%0.395CS..Hα-helixtrans-64.5-39.9178.9-73.8-61.1-62.400112.3V66 P67 W69 L75 E79 S86 Y87V66-M83 HydrophobicContact CG1-CB 3.32Å; V66-M83 HydrophobicContact CG1-CG 4.4Å; P67-M83 VanDerWaalsContact O-CE 3.27Å; P67-M83 WeakPolarHBondContact O-CE 2.96Å; W69-M83 HydrophobicContact CE3-CE 4.01Å; W69-M83 HydrophobicContact CZ3-CE 3.71Å; W69-M83 HydrophobicContact CZ3-SD 4.42Å; L75-M83 HydrophobicContact CD1-CB 4.48Å; L75-M83 HydrophobicContact CD1-CG 4.2Å; E79-M83 WeakPolarHBondContact O-CB 3.47Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.96Å; M83-S86 PolarHBondContact O-N 3.28Å; M83-Y87 VanDerWaalsContact O-CB 3.24Å; M83-Y87 WeakPolarHBondContact O-CB 3.46Å; M83-Y87 PolarHBondContact O-N 2.88Å
84A97.9Very high95.4Very high12 Ų1276.3 Ų76.310%0.09938%0.379CS..Hα-helixtrans-61.1-44.7175.100000112.1L62 V66 T80 L81 Q82 Y87 I88L62-A84 HydrophobicContact CD1-CB 4.05Å; L62-A84 HydrophobicContact CD2-CB 4.21Å; L62-A84 HydrophobicContact CG-CB 4.43Å; V66-A84 HydrophobicContact CG2-CB 3.78Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3Å; Q82-A84 PolarHBondContact O-N 2.83Å; A84-Y87 PolarHBondContact O-N 2.84Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.99Å
85L97.8Very high95.5Very high95 Ų9575.8 Ų75.850%0.49738%0.382SS..Hα-helixtrans-60.7-52.2176.8176.162000111L81 Q82 Y87 I88 M89L81-L85 PolarHBondContact O-N 3.04Å; Q82-L85 PolarHBondContact O-N 3.11Å; L85-Y87 PolarHBondContact O-N 3.08Å; L85-I88 PolarHBondContact O-N 3.45Å; L85-M89 HydrophobicContact CD1-CG 4.38Å; L85-M89 HydrophobicContact CD1-SD 4.26Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CG 3.49Å; L85-M89 PolarHBondContact O-N 3.16Å
86S96.5Very high95.3Very high65 Ų6576.6 Ų76.646%0.45539%0.393SS..Hα-helixtrans-57-39.6177.9-64.90000112Q82 M83 M89 A90Q82-S86 PolarHBondContact O-N 3.48Å; Q82-S86 PolarHBondContact O-OG 3.38Å; M83-S86 PolarHBondContact O-N 3.28Å; S86-M89 PolarHBondContact O-N 3.42Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.86Å
87Y97.6Very high94.9Very high89 Ų8977.6 Ų77.635%0.34939%0.392SS..Hα-helixtrans-69.1-45.2-179.8-172.8-138.7000112.6V65 P67 M83 A84 L85 M89 A90 L91V65-Y87 WeakPolarHBondContact O-CE1 3.46Å; P67-Y87 VanDerWaalsContact CD-CD1 3.47Å; P67-Y87 HydrophobicContact CG-CD1 4.08Å; P67-Y87 HydrophobicContact CG-CD2 3.63Å; P67-Y87 HydrophobicContact CG-CE1 4.11Å; P67-Y87 HydrophobicContact CG-CE2 3.68Å; P67-Y87 HydrophobicContact CG-CG 3.84Å; M83-Y87 VanDerWaalsContact O-CB 3.24Å; M83-Y87 WeakPolarHBondContact O-CB 3.46Å; M83-Y87 PolarHBondContact O-N 2.88Å; A84-Y87 PolarHBondContact O-N 2.84Å; L85-Y87 PolarHBondContact O-N 3.08Å; Y87-M89 VanDerWaalsContact C-N 3.28Å; Y87-M89 PolarHBondContact O-N 2.98Å; Y87-A90 PolarHBondContact O-N 3.43Å; Y87-L91 HydrophobicContact CD1-CD1 4.2Å; Y87-L91 HydrophobicContact CD2-CD1 4.22Å; Y87-L91 HydrophobicContact CD2-CD2 4.47Å; Y87-L91 HydrophobicContact CD2-CG 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.68Å; Y87-L91 HydrophobicContact CG-CD1 4.4Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.93Å
88I97.9Very high94.2Very high108 Ų10875.3 Ų75.355%0.55439%0.39SS*.Hα-helixtrans-56.8-46173.9-69165.1000110.1A84 L85 A90 L91 T92A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.99Å; L85-I88 PolarHBondContact O-N 3.45Å; I88-A90 PolarHBondContact O-N 3.25Å; I88-L91 PolarHBondContact O-N 3.42Å; I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 3.33Å; I88-T92 PolarHBondContact O-OG1 3.23Å
89M96.4Very high93.4Very high83 Ų8375.9 Ų75.941%0.40940%0.399SS..Hα-helixtrans-62.9-41.9178.5-67.2177.277.500112.4L85 S86 Y87 T92 R93L85-M89 HydrophobicContact CD1-CG 4.38Å; L85-M89 HydrophobicContact CD1-SD 4.26Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CG 3.49Å; L85-M89 PolarHBondContact O-N 3.16Å; S86-M89 PolarHBondContact O-N 3.42Å; Y87-M89 VanDerWaalsContact C-N 3.28Å; Y87-M89 PolarHBondContact O-N 2.98Å; M89-T92 PolarHBondContact O-N 3.42Å; M89-R93 WeakPolarHBondContact O-CG 3.33Å; M89-R93 PolarHBondContact O-N 3.36Å; M89-R93 VanDerWaalsContact O-N 3.08Å
90A95Very high92.3Very high39 Ų3982.2 Ų82.232%0.32242%0.419SS..Hα-helixtrans-63.6-4917800000111.8S86 Y87 I88 T92 R93 I94S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.86Å; Y87-A90 PolarHBondContact O-N 3.43Å; I88-A90 PolarHBondContact O-N 3.25Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.42Å; A90-R93 PolarHBondContact O-N 3.11Å; A90-I94 WeakPolarHBondContact O-CG1 3.45Å; A90-I94 PolarHBondContact O-N 2.69Å
91L95.7Very high90.8Very high69 Ų6985.7 Ų85.736%0.36143%0.433SS..Hα-helixtrans-61.5-39.2177.1-67.5179.4000112Y87 I88 R93 I94 L95Y87-L91 HydrophobicContact CD1-CD1 4.2Å; Y87-L91 HydrophobicContact CD2-CD1 4.22Å; Y87-L91 HydrophobicContact CD2-CD2 4.47Å; Y87-L91 HydrophobicContact CD2-CG 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.68Å; Y87-L91 HydrophobicContact CG-CD1 4.4Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 3.42Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.39Å; L91-I94 PolarHBondContact O-N 3.47Å; L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.33Å
92T95.2Very high89.1Confident84 Ų8486.4 Ų86.452%0.51545%0.445SS..Hα-helixtrans-62.4-42.1177.4-56.40000111.4I88 M89 A90 A96I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 3.33Å; I88-T92 PolarHBondContact O-OG1 3.23Å; M89-T92 PolarHBondContact O-N 3.42Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.42Å; T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 3.03Å; T92-A96 VanDerWaalsContact O-N 3.07Å
93R90.3Very high87.6Confident133 Ų13385.6 Ų85.650%0.50245%0.446SS..Hα-helixtrans-64-47.7175.5-71178.8-171.9110.8-6.1111.6M89 A90 L91 L95 A96 E97M89-R93 WeakPolarHBondContact O-CG 3.33Å; M89-R93 PolarHBondContact O-N 3.36Å; M89-R93 VanDerWaalsContact O-N 3.08Å; A90-R93 PolarHBondContact O-N 3.11Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.39Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.94Å; R93-A96 PolarHBondContact O-N 3.23Å; R93-A96 VanDerWaalsContact O-N 3.16Å; R93-E97 WeakPolarHBondContact O-CB 3.04Å; R93-E97 WeakPolarHBondContact O-CG 3.35Å; R93-E97 PolarHBondContact O-N 3.42Å
94I91.6Very high86Confident68 Ų6891.1 Ų91.135%0.34947%0.471SS..Hα-helixtrans-54.9-46178-74165.1000111.4A90 L91 E97 A98 W107A90-I94 WeakPolarHBondContact O-CG1 3.45Å; A90-I94 PolarHBondContact O-N 2.69Å; L91-I94 PolarHBondContact O-N 3.47Å; I94-E97 PolarHBondContact O-N 2.87Å; I94-A98 WeakPolarHBondContact O-CB 3.11Å; I94-A98 PolarHBondContact O-N 3.2Å; I94-W107 HydrophobicContact CG2-CZ2 3.75Å
95L90.4Very high84.2Confident113 Ų113100.5 Ų100.559%0.59250%0.504SS*.Hα-helixtrans-66.4-43.1179-68.1167.7000111.9L91 R93 E97 A98 E99L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.33Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.94Å; L95-E97 VanDerWaalsContact C-N 3.28Å; L95-E97 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-E99 PolarHBondContact O-N 2.8Å
96A88.4Confident82.6Confident49 Ų49100.4 Ų100.441%0.40550%0.501SS..Hα-helixtrans-65.4-31.4177.700000113.1T92 R93T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 3.03Å; T92-A96 VanDerWaalsContact O-N 3.07Å; R93-A96 PolarHBondContact O-N 3.23Å; R93-A96 VanDerWaalsContact O-N 3.16Å
97E85.6Confident81.1Confident72 Ų72101.2 Ų101.234%0.33649%0.494SS..Hα-helixtrans-74.5-42.8174.2-73172.7-14000111.1R93 I94 L95 E99 R100 Y101 H111R93-E97 WeakPolarHBondContact O-CB 3.04Å; R93-E97 WeakPolarHBondContact O-CG 3.35Å; R93-E97 PolarHBondContact O-N 3.42Å; I94-E97 PolarHBondContact O-N 2.87Å; L95-E97 VanDerWaalsContact C-N 3.28Å; L95-E97 PolarHBondContact O-N 3.34Å; E97-E99 PolarHBondContact O-N 3.14Å; E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-Y101 HydrophobicContact CB-CE2 4.35Å; E97-Y101 WeakPolarHBondContact O-CD2 3.15Å; E97-Y101 WeakPolarHBondContact O-CE2 3.42Å; E97-H111 IonicContact OE2-CE1 2.84Å; E97-H111 PolarHBondContact OE2-CE1 3.32Å; E97-H111 IonicContact OE2-NE2 3.04Å; E97-H111 PolarHBondContact OE2-NE2 2.99Å; E97-H111 VanDerWaalsContact OE2-NE2 3.11Å
98A82.6Confident79.7Confident43 Ų43100.4 Ų100.436%0.35550%0.495SS..Hα-helixtrans-57.5-35177.100000112.9I94 L95 R100 Y101I94-A98 WeakPolarHBondContact O-CB 3.11Å; I94-A98 PolarHBondContact O-N 3.2Å; L95-A98 PolarHBondContact O-N 3.48Å; A98-R100 PolarHBondContact O-N 2.76Å; A98-Y101 PolarHBondContact O-N 2.99Å
99E79.6Confident78.1Confident172 Ų172101 Ų10180%0.80450%0.5SS*.THydrogen-bonded Turntrans-63.9-19.3174.5-71.5177.2-174.500113.9L95 E97L95-E99 PolarHBondContact O-N 2.8Å; E97-E99 PolarHBondContact O-N 3.14Å
100R73.4Confident76.5Confident214 Ų214102.3 Ų102.381%0.80851%0.505SS*.THydrogen-bonded Turntrans-91.3-15.7-179.1-64-177.9176-123.1-1.4113.9E97 A98E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 3.33Å; A98-R100 PolarHBondContact O-N 2.76Å
101Y65Low75Confident73 Ų73102.8 Ų102.829%0.28650%0.5SS..  trans-104.9126.9-178.8-61.2-75.3000110.3E97 A98 E106 W107 H110E97-Y101 HydrophobicContact CB-CE2 4.35Å; E97-Y101 WeakPolarHBondContact O-CD2 3.15Å; E97-Y101 WeakPolarHBondContact O-CE2 3.42Å; A98-Y101 PolarHBondContact O-N 2.99Å; Y101-E106 HydrophobicContact CD1-CB 4.04Å; Y101-W107 HydrophobicContact CD2-CB 4.37Å; Y101-W107 AromaticContact CD2-CD1 3.82Å; Y101-W107 HydrophobicContact CG-CB 4.43Å; Y101-H110 PolarHBondContact OH-CD2 2.8Å; Y101-H110 PolarHBondContact OH-NE2 3.22Å
102S61Low73Confident107 Ų107103 Ų10375%0.74851%0.506SS*.SBendtrans-81.8-17.4-172.670.90000113.6E106S102-E106 PolarHBondContact OG-OE2 3.43Å
103T66.3Low70.8Confident67 Ų67106.5 Ų106.541%0.41152%0.517SS..SBendtrans-132.8141.8-179.660.80000111.6R105 E106 W107T103-R105 PolarHBondContact O-N 3.47Å; T103-R105 VanDerWaalsContact O-N 3.13Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.23Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-OE2 3.44Å; T103-W107 PolarHBondContact O-N 2.98Å
104E61.6Low68.8Low158 Ų158108.7 Ų108.774%0.73853%0.532SS*.Hα-helixtrans-53.7-32.9176.8-174.5176.8-160.800112.3I108E104-I108 HydrophobicContact CG-CD1 3.89Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.32Å; E104-I108 PolarHBondContact O-N 2.98Å; E104-I108 VanDerWaalsContact O-N 3.08Å
105R60.4Low66.5Low210 Ų210114.3 Ų114.379%0.79256%0.555SS**Hα-helixtrans-64.5-40.6176.3-101.2178.8-168153.15.8114T103 N109T103-R105 PolarHBondContact O-N 3.47Å; T103-R105 VanDerWaalsContact O-N 3.13Å; R105-N109 WeakPolarHBondContact O-CB 3.35Å; R105-N109 PolarHBondContact O-N 3.21Å
106E63.1Low64.1Low93 Ų93115 Ų11544%0.43556%0.555SS.*Hα-helixtrans-69.5-38.8-179-72.8167.1154.600111.1Y101 S102 T103 H110Y101-E106 HydrophobicContact CD1-CB 4.04Å; S102-E106 PolarHBondContact OG-OE2 3.43Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.23Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-OE2 3.44Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 2.93Å; E106-H110 VanDerWaalsContact O-N 3.09Å
107W66.7Low62.1Low81 Ų81117.5 Ų117.531%0.30757%0.566SS.*Hα-helixtrans-66.5-47.6176.5-174.781.4000112I94 Y101 T103 H110 H111I94-W107 HydrophobicContact CG2-CZ2 3.75Å; Y101-W107 HydrophobicContact CD2-CB 4.37Å; Y101-W107 AromaticContact CD2-CD1 3.82Å; Y101-W107 HydrophobicContact CG-CB 4.43Å; T103-W107 PolarHBondContact O-N 2.98Å; W107-H110 PolarHBondContact O-N 2.65Å; W107-H111 AromaticContact CD1-NE2 3.68Å; W107-H111 AromaticContact CE2-CD2 3.41Å; W107-H111 VanDerWaalsContact CE2-CD2 3.41Å; W107-H111 AromaticContact CE2-NE2 3.7Å; W107-H111 AromaticContact CZ2-CD2 3.52Å; W107-H111 AromaticContact NE1-CD2 3.34Å; W107-H111 PolarHBondContact NE1-CD2 2.94Å; W107-H111 VanDerWaalsContact NE1-CD2 3.34Å; W107-H111 AromaticContact NE1-CE1 3.91Å; W107-H111 AromaticContact NE1-NE2 3.09Å; W107-H111 PolarHBondContact NE1-NE2 3.5Å; W107-H111 WeakPolarHBondContact O-CB 3.48Å; W107-H111 PolarHBondContact O-N 2.87Å; W107-H111 VanDerWaalsContact O-N 3.11Å
108I66.9Low59.9Low72 Ų72119.5 Ų119.537%0.36958%0.576SS.*Hα-helixtrans-62.1-47.5177.2-67.1171.7000110.8E104 H110 H111 C112E104-I108 HydrophobicContact CG-CD1 3.89Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.32Å; E104-I108 PolarHBondContact O-N 2.98Å; E104-I108 VanDerWaalsContact O-N 3.08Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 2.88Å; I108-H111 PolarHBondContact O-N 3.32Å; I108-C112 VanDerWaalsContact O-CB 3.25Å; I108-C112 WeakPolarHBondContact O-CB 3.42Å; I108-C112 PolarHBondContact O-N 3.33Å
109N65.4Low57.9Low121 Ų121122.1 Ų122.165%0.64759%0.592SS**Hα-helixtrans-59.9-43.1179.5-94.711.5000112R105 H111 E113R105-N109 WeakPolarHBondContact O-CB 3.35Å; R105-N109 PolarHBondContact O-N 3.21Å; N109-H111 VanDerWaalsContact C-N 3.34Å; N109-H111 PolarHBondContact O-N 2.91Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å
110H62.7Low56.3Low111 Ų111122.9 Ų122.951%0.51459%0.589SS.*Hα-helixtrans-70.7-29.6-178.3-166.4-62.5000112.9Y101 E106 W107 I108Y101-H110 PolarHBondContact OH-CD2 2.8Å; Y101-H110 PolarHBondContact OH-NE2 3.22Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 2.93Å; E106-H110 VanDerWaalsContact O-N 3.09Å; W107-H110 PolarHBondContact O-N 2.65Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 2.88Å
111H62.2Low55Low48 Ų48119.1 Ų119.122%0.22258%0.58CS.*Hα-helixtrans-98.4-23.5-173.9-68.421.6000113.4E97 W107 I108 N109E97-H111 IonicContact OE2-CE1 2.84Å; E97-H111 PolarHBondContact OE2-CE1 3.32Å; E97-H111 IonicContact OE2-NE2 3.04Å; E97-H111 PolarHBondContact OE2-NE2 2.99Å; E97-H111 VanDerWaalsContact OE2-NE2 3.11Å; W107-H111 AromaticContact CD1-NE2 3.68Å; W107-H111 AromaticContact CE2-CD2 3.41Å; W107-H111 VanDerWaalsContact CE2-CD2 3.41Å; W107-H111 AromaticContact CE2-NE2 3.7Å; W107-H111 AromaticContact CZ2-CD2 3.52Å; W107-H111 AromaticContact NE1-CD2 3.34Å; W107-H111 PolarHBondContact NE1-CD2 2.94Å; W107-H111 VanDerWaalsContact NE1-CD2 3.34Å; W107-H111 AromaticContact NE1-CE1 3.91Å; W107-H111 AromaticContact NE1-NE2 3.09Å; W107-H111 PolarHBondContact NE1-NE2 3.5Å; W107-H111 WeakPolarHBondContact O-CB 3.48Å; W107-H111 PolarHBondContact O-N 2.87Å; W107-H111 VanDerWaalsContact O-N 3.11Å; I108-H111 PolarHBondContact O-N 3.32Å; N109-H111 VanDerWaalsContact C-N 3.34Å; N109-H111 PolarHBondContact O-N 2.91Å
112C55.3Low53.7Low73 Ų73124.2 Ų124.249%0.49361%0.606SS.*Hα-helixtrans-81.7-13.3173.2-78.10000113.9I108 H114 F115I108-C112 VanDerWaalsContact O-CB 3.25Å; I108-C112 WeakPolarHBondContact O-CB 3.42Å; I108-C112 PolarHBondContact O-N 3.33Å; C112-H114 PolarHBondContact O-N 2.64Å; C112-F115 PolarHBondContact O-N 3.39Å
113E48.2Very low52.9Low159 Ų159129 Ų12974%0.74361%0.609SS**THydrogen-bonded Turntrans-59.3-17.1173.9-80.4-99.213800113.5N109N109-E113 WeakPolarHBondContact O-CG 3.46Å
114H47.2Very low51.9Low178 Ų178132.3 Ų132.382%0.82462%0.622SS**THydrogen-bonded Turntrans-81.8-13173.1-93.7-66.2000114.7C112 H116C112-H114 PolarHBondContact O-N 2.64Å; H114-H116 VanDerWaalsContact C-N 3.29Å; H114-H116 PolarHBondContact O-N 2.87Å
115F44.1Very low51.1Low186 Ų186128 Ų12882%0.81662%0.62SS**SBendtrans-84.681.2163.2-93.9-91.2000107.7C112 P117C112-F115 PolarHBondContact O-N 3.39Å; F115-P117 WeakPolarHBondContact O-CD 3.48Å
116H39.5Very low50Low129 Ų129125.3 Ų125.360%0.59762%0.616SS**  trans-45.1121.3-177.7-132.3-51.7000111.3H114 E118 S119H114-H116 VanDerWaalsContact C-N 3.29Å; H114-H116 PolarHBondContact O-N 2.87Å; H116-E118 HydrophobicContact CB-CB 4.4Å; H116-E118 WeakPolarHBondContact ND1-CB 3.32Å; H116-E118 WeakPolarHBondContact ND1-CG 3.49Å; H116-E118 PolarHBondContact O-N 2.75Å; H116-E118 VanDerWaalsContact O-N 3.1Å; H116-S119 PolarHBondContact O-N 3.32Å; H116-S119 VanDerWaalsContact O-N 3.07Å
117P46.5Very low49.1Very low100 Ų100131.2 Ų131.265%0.64964%0.64SS**THydrogen-bonded Turntrans-56.1-23.1168-24.933.8000112.7F115 S119 Y120F115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å
118E40.5Very low47.5Very low114 Ų114134.5 Ų134.553%0.53366%0.661SS.*Hα-helixtrans-65.1-26.7176.5-72.3-67.4161.600113.4H116 Y120 H121 E122H116-E118 HydrophobicContact CB-CB 4.4Å; H116-E118 WeakPolarHBondContact ND1-CB 3.32Å; H116-E118 WeakPolarHBondContact ND1-CG 3.49Å; H116-E118 PolarHBondContact O-N 2.75Å; H116-E118 VanDerWaalsContact O-N 3.1Å; E118-Y120 PolarHBondContact O-N 3.46Å; E118-H121 PolarHBondContact O-N 3.41Å; E118-E122 PolarHBondContact O-N 2.91Å
119S40.4Very low46.3Very low98 Ų98135.4 Ų135.469%0.68568%0.679SS**Hα-helixtrans-69.2-15.5177-170.90000112.8H116 P117H116-S119 PolarHBondContact O-N 3.32Å; H116-S119 VanDerWaalsContact O-N 3.07Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.44Å
120Y45.3Very low45.7Very low189 Ų189136.3 Ų136.374%0.74169%0.689SS**Hα-helixtrans-91-23.2170.3-121.9-90.3000112.3P117 E118P117-Y120 PolarHBondContact O-N 3.08Å; E118-Y120 PolarHBondContact O-N 3.46Å
121H47.2Very low44.7Very low135 Ų135138.3 Ų138.363%0.62570%0.704SS**Hα-helixtrans-79.8-27.6-175.3-129.6-59.6000113E118 Y123 M124E118-H121 PolarHBondContact O-N 3.41Å; H121-Y123 VanDerWaalsContact C-N 3.33Å; H121-Y123 PolarHBondContact O-N 2.93Å; H121-M124 PolarHBondContact O-N 3.13Å
122E36.5Very low44.5Very low179 Ų179141 Ų14184%0.83673%0.728SS**G310 helixtrans-73.2-23.9176.5-165.2135.1-153.900113E118E118-E122 PolarHBondContact O-N 2.91Å
123Y45.3Very low43.8Very low207 Ų207144.2 Ų144.281%0.81274%0.74SS**G310 helixtrans-84.4-12.3176.8-158.2-98.9000114H121H121-Y123 VanDerWaalsContact C-N 3.33Å; H121-Y123 PolarHBondContact O-N 2.93Å
124M44.8Very low44Very low138 Ų138140.9 Ų140.968%0.6873%0.734SS**G310 helixtrans-111.420.4177.8-61.9-60.3-74.800112.9H121 Q126H121-M124 PolarHBondContact O-N 3.13Å; M124-Q126 PolarHBondContact O-N 3.45Å; M124-Q126 VanDerWaalsContact O-N 3.09Å
125G44.3Very low43.7Very low68 Ų68140.1 Ų140.170%0.70173%0.725SS**  trans-80.653.4173.300000113.9
126Q38.8Very low43.7Very low152 Ų152134.6 Ų134.671%0.7171%0.714SS**SBendtrans-140.6112.3161.3-129.6172.1-15.700107.9M124 M128M124-Q126 PolarHBondContact O-N 3.45Å; M124-Q126 VanDerWaalsContact O-N 3.09Å; Q126-M128 HydrophobicContact CB-CE 3.91Å; Q126-M128 PolarHBondContact O-N 3.34Å
127K43.9Very low44Very low217 Ų217136.5 Ų136.594%0.94372%0.723SS**  trans-54.1102.9174.9-83.6-172.1174.2178.70108.9A129K127-A129 PolarHBondContact O-N 2.95Å
128M33.1Very low44.1Very low151 Ų151140.7 Ų140.774%0.74473%0.726SS**  trans-78.8110.2163.1-47.8-52.1173.800105.7Q126Q126-M128 HydrophobicContact CB-CE 3.91Å; Q126-M128 PolarHBondContact O-N 3.34Å
129A41.8Very low44.3Very low90 Ų90140 Ų14074%0.74473%0.725SS**  trans-51.1141.4166.200000108.6K127 D131K127-A129 PolarHBondContact O-N 2.95Å; A129-D131 PolarHBondContact O-N 3.18Å
130T53.2Low44.4Very low140 Ų140143.8 Ų143.886%0.85973%0.729SS**SBendtrans-49.5107177.451.90000110.4
131D40.6Very low44Very low153 Ų153138.3 Ų138.382%0.81872%0.719SS**  trans-148.8133.6139.7-122-20.4000110.8A129 D133A129-D131 PolarHBondContact O-N 3.18Å; D131-D133 PolarHBondContact O-N 2.86Å
132S57.6Low43.8Very low104 Ų104142.1 Ų142.173%0.72773%0.729SS**  trans-18.4119.1173.4168.30000116
133D40.6Very low44.2Very low142 Ų142140.4 Ų140.476%0.75972%0.721SS**  trans-140107.7155-103.6-28.7000113.6D131 Y135D131-D133 PolarHBondContact O-N 2.86Å; D133-Y135 PolarHBondContact O-N 3.16Å
134S52.2Low44.1Very low88 Ų88135.8 Ų135.862%0.61572%0.719SS**THydrogen-bonded Turntrans-61.67.6176.2-176.90000114.6
135Y42Very low43.8Very low162 Ų162136.9 Ų136.964%0.63572%0.723SS**THydrogen-bonded Turntrans-92.8-31.1-175.9-171.1-105.3000113.2D133 Q137 R138 I139D133-Y135 PolarHBondContact O-N 3.16Å; Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.91Å; Y135-R138 PolarHBondContact O-N 2.94Å; Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 4.05Å
136A44.6Very low43.7Very low71 Ų71141.6 Ų141.659%0.58773%0.726SS**Hα-helixtrans-67.5-29.7-177.700000113.4R138A136-R138 PolarHBondContact O-N 2.79Å; A136-R138 VanDerWaalsContact O-N 3.16Å
137Q44.2Very low43.7Very low168 Ų168143.1 Ų143.179%0.78573%0.73SS**Hα-helixtrans-64.9-16.7177.1-120.699.111.600113.6Y135Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.91Å
138R49.4Very low43.9Very low189 Ų189140.7 Ų140.771%0.71372%0.722SS**Hα-helixtrans-101.1-16.9-170.8-136-176.5-66.7-1730.4114.5Y135 A136Y135-R138 PolarHBondContact O-N 2.94Å; A136-R138 PolarHBondContact O-N 2.79Å; A136-R138 VanDerWaalsContact O-N 3.16Å
139I44.7Very low44.3Very low98 Ų98140.5 Ų140.550%0.50372%0.723SS.*Hα-helixtrans-91.3-28.6-176.4-63.7-81.5000111.9Y135Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 4.05Å
140F42Very low44.4Very low178 Ų178140.7 Ų140.778%0.78172%0.724SS**  trans-118.932.7-176.7-65.7-71.1000113.9Y142F140-Y142 VanDerWaalsContact C-N 3.27Å; F140-Y142 PolarHBondContact O-N 3.45Å
141S38Very low44.1Very low74 Ų74145.5 Ų145.552%0.51775%0.745SS.*  trans-79.776.816862.20000110.3H143S141-H143 VanDerWaalsContact C-N 3.35Å; S141-H143 PolarHBondContact O-N 3.4Å; S141-H143 VanDerWaalsContact O-N 3.14Å
142Y42.8Very low44.3Very low215 Ų215145.2 Ų145.284%0.84374%0.741SS**  trans-7495.8159.2-148.3-89.7000106.3F140 S144F140-Y142 VanDerWaalsContact C-N 3.27Å; F140-Y142 PolarHBondContact O-N 3.45Å; Y142-S144 PolarHBondContact O-N 3.21Å
143H44.4Very low43.6Very low143 Ų143147.3 Ų147.366%0.66274%0.742SS**  trans-73.4110.6166.1-83.523.3000107S141 E145S141-H143 VanDerWaalsContact C-N 3.35Å; S141-H143 PolarHBondContact O-N 3.4Å; S141-H143 VanDerWaalsContact O-N 3.14Å; H143-E145 PolarHBondContact O-N 3.3Å
144S43.9Very low43.8Very low110 Ų110147.6 Ų147.677%0.76974%0.741SS**  trans-62.993.8162.4-91.40000107.6Y142 H146Y142-S144 PolarHBondContact O-N 3.21Å; S144-H146 PolarHBondContact O-N 3.41Å; S144-H146 VanDerWaalsContact O-N 3.08Å
145E37.3Very low43.3Very low162 Ų162151.1 Ų151.176%0.75775%0.749SS**  trans-63.2110.4168.7-72.6-67.7126.300107.9H143 F147H143-E145 PolarHBondContact O-N 3.3Å; E145-F147 PolarHBondContact O-N 3.19Å
146H43Very low43.3Very low166 Ų166150.4 Ų150.477%0.76976%0.756SS**  trans-72.790.5177.4-155-82.1000107.8S144 Q148S144-H146 PolarHBondContact O-N 3.41Å; S144-H146 VanDerWaalsContact O-N 3.08Å; H146-Q148 PolarHBondContact O-N 3.13Å
147F38.7Very low43.3Very low184 Ų184155.7 Ų155.781%0.80777%0.767SS**  trans-67.297.4175.8-163.8-93.3000109.3E145 I149E145-F147 PolarHBondContact O-N 3.19Å; F147-I149 HydrophobicContact CD1-CG1 4.13Å; F147-I149 HydrophobicContact CE1-CG1 4.28Å; F147-I149 PolarHBondContact O-N 2.94Å
148Q47Very low43.2Very low166 Ų166154.9 Ų154.978%0.77677%0.766SS**  trans-74.3116.3169.9-73.1-179.2-19.200108.6H146 A150H146-Q148 PolarHBondContact O-N 3.13Å; Q148-A150 PolarHBondContact O-N 2.92Å
149I41.5Very low42.7Very low148 Ų148152.2 Ų152.276%0.75977%0.77SS**  trans-74.1114.9166.9-60.8170.7000106.5F147F147-I149 HydrophobicContact CD1-CG1 4.13Å; F147-I149 HydrophobicContact CE1-CG1 4.28Å; F147-I149 PolarHBondContact O-N 2.94Å
150A43.9Very low42.5Very low93 Ų93156.8 Ų156.877%0.76979%0.792SS**  trans-69.8133.8170.900000109.6Q148Q148-A150 PolarHBondContact O-N 2.92Å
151N47.9Very low42.6Very low242 Ų242154.8 Ų154.8100%1.29479%0.793SS**  trans-62.90174.1-108.8-1000112.3

Retrieved 151 of 151 residues in 39 ms (Link to these results)