A0A077Z576_TRITR Loading...

RNA 3' terminal phosphate cyclase protein

AlphaFold DB , UniProt , Accession A0A077Z576, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 941 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
1M39.1Very low36.4Very low221 Ų221129.6 Ų129.6100%1.08968%0.684SS**  015.50-76.3-173-92.100113.8A5M1-A5 VanDerWaalsContact O-CB 3.27Å; M1-A5 WeakPolarHBondContact O-CB 3.46Å
2S42.1Very low36.6Very low106 Ų106134.2 Ų134.274%0.74169%0.694SS**  trans-109.8-5.2-170.844.60000116.3
3V34.5Very low36.9Very low92 Ų92138.3 Ų138.356%0.55870%0.695SS**SBendtrans-133.6-46.6176.5-176.40000111.3A5 L6 L7V3-A5 VanDerWaalsContact C-N 3.31Å; V3-A5 PolarHBondContact O-N 3.16Å; V3-L6 WeakPolarHBondContact O-CA 3.21Å; V3-L6 WeakPolarHBondContact O-CB 3.31Å; V3-L6 PolarHBondContact O-N 2.94Å; V3-L7 HydrophobicContact CG1-CD1 4.37Å; V3-L7 PolarHBondContact O-N 3.31Å
4V34.6Very low37.3Very low103 Ų103129.6 Ų129.662%0.62466%0.655SS**Hα-helixtrans-63-37.8175.6-178.90000111.8L6 L7 T8V4-L6 PolarHBondContact O-N 2.84Å; V4-L7 PolarHBondContact O-N 3.44Å; V4-L7 VanDerWaalsContact O-N 3.13Å; V4-T8 HydrophobicContact CG1-CG2 3.94Å; V4-T8 PolarHBondContact O-N 3.21Å; V4-T8 PolarHBondContact O-OG1 3.35Å; V4-T8 VanDerWaalsContact O-OG1 3.07Å
5A37.8Very low37.7Very low47 Ų47127.5 Ų127.539%0.38865%0.651SS.*Hα-helixtrans-67.8-15.2173.700000113.6M1 V3M1-A5 VanDerWaalsContact O-CB 3.27Å; M1-A5 WeakPolarHBondContact O-CB 3.46Å; V3-A5 VanDerWaalsContact C-N 3.31Å; V3-A5 PolarHBondContact O-N 3.16Å
6L36Very low37.8Very low132 Ų132125.5 Ų125.569%0.69164%0.638SS**Hα-helixtrans-84.6-17.1175.5-144.983.6000112.4V3 V4V3-L6 WeakPolarHBondContact O-CA 3.21Å; V3-L6 WeakPolarHBondContact O-CB 3.31Å; V3-L6 PolarHBondContact O-N 2.94Å; V4-L6 PolarHBondContact O-N 2.84Å
7L31.8Very low38Very low125 Ų125122.2 Ų122.265%0.65463%0.629SS**Hα-helixtrans-120.9-30-170.1-68.2172.3000114.3V3 V4V3-L7 HydrophobicContact CG1-CD1 4.37Å; V3-L7 PolarHBondContact O-N 3.31Å; V4-L7 PolarHBondContact O-N 3.44Å; V4-L7 VanDerWaalsContact O-N 3.13Å
8T36.4Very low38.3Very low106 Ų106122.3 Ų122.365%0.6563%0.63SS**THydrogen-bonded Turntrans-94-4.8-178.361.50000114.7V4V4-T8 HydrophobicContact CG1-CG2 3.94Å; V4-T8 PolarHBondContact O-N 3.21Å; V4-T8 PolarHBondContact O-OG1 3.35Å; V4-T8 VanDerWaalsContact O-OG1 3.07Å
9R40.2Very low38.4Very low211 Ų211121.6 Ų121.680%0.79662%0.623SS**THydrogen-bonded Turntrans-95.39.8174.9-84.9-174.8170.3-178.5-2.9114.3P11R9-P11 WeakPolarHBondContact O-CD 3.36Å
10W28.9Very low38.3Very low185 Ų185122.4 Ų122.470%0.70162%0.618SS**SBendtrans-101.8108.3168.2-88.422.2000109.7A14W10-A14 HydrophobicContact CB-CB 3.94Å; W10-A14 HydrophobicContact CD2-CB 3.48Å; W10-A14 VanDerWaalsContact CD2-CB 3.48Å; W10-A14 HydrophobicContact CE3-CB 3.2Å; W10-A14 HydrophobicContact CG-CB 3.85Å; W10-A14 HydrophobicContact CH2-CB 4.44Å; W10-A14 HydrophobicContact CZ3-CB 3.73Å
11P38.6Very low38.4Very low98 Ų98122.7 Ų122.764%0.63662%0.621SS**  trans-61.6157.9168.8-18.431.8000110.4R9 R13 A14R9-P11 WeakPolarHBondContact O-CD 3.36Å; P11-R13 PolarHBondContact O-N 2.66Å; P11-A14 PolarHBondContact O-N 3.36Å
12K39.3Very low38.5Very low184 Ų184120.1 Ų120.180%0.860%0.6SS**THydrogen-bonded Turntrans-46.5-26.7-178.6-77.8-178.4171.2-1790115.3A14 V15K12-A14 PolarHBondContact O-N 3.31Å; K12-V15 VanDerWaalsContact O-CB 3.25Å; K12-V15 WeakPolarHBondContact O-CB 3.49Å; K12-V15 PolarHBondContact O-N 3.11Å
13R39.8Very low38.2Very low188 Ų188119.1 Ų119.171%0.70959%0.586SS**Hα-helixtrans-61.3-19.1175-62-156159.6150.2-2.9115.4P11 V15 E16 S17P11-R13 PolarHBondContact O-N 2.66Å; R13-V15 PolarHBondContact O-N 2.77Å; R13-E16 WeakPolarHBondContact CG-OE2 3.5Å; R13-E16 IonicContact NE-OE2 3.94Å; R13-E16 CarbonylContact O-C 3.59Å; R13-E16 WeakPolarHBondContact O-CA 3.46Å; R13-E16 WeakPolarHBondContact O-CB 3.37Å; R13-E16 PolarHBondContact O-N 3.09Å; R13-E16 VanDerWaalsContact O-N 3.11Å; R13-S17 PolarHBondContact O-N 2.9Å; R13-S17 PolarHBondContact O-OG 3.48Å
14A43.1Very low38.1Very low16 Ų16116.1 Ų116.113%0.13257%0.566CS.*Hα-helixtrans-72.7-19.6172.900000112.6W10 P11 K12W10-A14 HydrophobicContact CB-CB 3.94Å; W10-A14 HydrophobicContact CD2-CB 3.48Å; W10-A14 VanDerWaalsContact CD2-CB 3.48Å; W10-A14 HydrophobicContact CE3-CB 3.2Å; W10-A14 HydrophobicContact CG-CB 3.85Å; W10-A14 HydrophobicContact CH2-CB 4.44Å; W10-A14 HydrophobicContact CZ3-CB 3.73Å; P11-A14 PolarHBondContact O-N 3.36Å; K12-A14 PolarHBondContact O-N 3.31Å
15V43.6Very low38.7Very low99 Ų99114.7 Ų114.760%0.655%0.55SS*.Hα-helixtrans-72.3-38.3165.1-175.20000110.3K12 R13 S17 I18 Q19K12-V15 VanDerWaalsContact O-CB 3.25Å; K12-V15 WeakPolarHBondContact O-CB 3.49Å; K12-V15 PolarHBondContact O-N 3.11Å; R13-V15 PolarHBondContact O-N 2.77Å; V15-S17 VanDerWaalsContact C-N 3.3Å; V15-S17 PolarHBondContact O-N 3.16Å; V15-I18 PolarHBondContact O-N 3.09Å; V15-Q19 PolarHBondContact O-N 3.49Å
16E39.6Very low38.9Very low95 Ų95116.1 Ų116.144%0.44455%0.554SS.*Hα-helixtrans-69.5-26.7176.4-59.3168-179.600112.1R13 Q19 W20R13-E16 WeakPolarHBondContact CG-OE2 3.5Å; R13-E16 IonicContact NE-OE2 3.94Å; R13-E16 CarbonylContact O-C 3.59Å; R13-E16 WeakPolarHBondContact O-CA 3.46Å; R13-E16 WeakPolarHBondContact O-CB 3.37Å; R13-E16 PolarHBondContact O-N 3.09Å; R13-E16 VanDerWaalsContact O-N 3.11Å; E16-Q19 CarbonylContact O-C 3.57Å; E16-Q19 WeakPolarHBondContact O-CA 3.46Å; E16-Q19 WeakPolarHBondContact O-CB 3.42Å; E16-Q19 PolarHBondContact O-N 3.44Å; E16-W20 PolarHBondContact O-N 2.97Å
17S41.1Very low39.2Very low69 Ų69114.7 Ų114.748%0.48355%0.545SS..Hα-helixtrans-69.3-34.1175.9-55.20000112.4R13 V15 Q19 W20 L21R13-S17 PolarHBondContact O-N 2.9Å; R13-S17 PolarHBondContact O-OG 3.48Å; V15-S17 VanDerWaalsContact C-N 3.3Å; V15-S17 PolarHBondContact O-N 3.16Å; S17-Q19 VanDerWaalsContact C-N 3.3Å; S17-W20 PolarHBondContact O-N 3.06Å; S17-L21 PolarHBondContact O-N 3.44Å; S17-L21 VanDerWaalsContact O-N 3.14Å
18I43.3Very low40.2Very low124 Ų124112.5 Ų112.564%0.63654%0.536SS*.Hα-helixtrans-65.8-36.1167-68.4172.6000110.1V15 W20 Y22V15-I18 PolarHBondContact O-N 3.09Å; I18-W20 VanDerWaalsContact C-N 3.33Å; I18-W20 PolarHBondContact O-N 3.37Å; I18-Y22 WeakPolarHBondContact O-CB 3.42Å; I18-Y22 PolarHBondContact O-N 2.93Å; I18-Y22 VanDerWaalsContact O-N 3.13Å
19Q40.4Very low40.6Very low109 Ų109111.3 Ų111.351%0.50953%0.529SS..Hα-helixtrans-71-19.2174.9-72.5-174-46.100114.6V15 E16 S17 Y22 L23V15-Q19 PolarHBondContact O-N 3.49Å; E16-Q19 CarbonylContact O-C 3.57Å; E16-Q19 WeakPolarHBondContact O-CA 3.46Å; E16-Q19 WeakPolarHBondContact O-CB 3.42Å; E16-Q19 PolarHBondContact O-N 3.44Å; S17-Q19 VanDerWaalsContact C-N 3.3Å; Q19-Y22 CarbonylContact O-C 3.59Å; Q19-Y22 WeakPolarHBondContact O-CA 3.28Å; Q19-Y22 WeakPolarHBondContact O-CB 3.42Å; Q19-L23 WeakPolarHBondContact O-CB 3.48Å; Q19-L23 PolarHBondContact O-N 2.83Å
20W35.3Very low40.4Very low137 Ų137104.5 Ų104.552%0.51951%0.514SS..Hα-helixtrans-101.3-23179.9-104.769.1000115.5E16 S17 I18 Y22 L23 E24E16-W20 PolarHBondContact O-N 2.97Å; S17-W20 PolarHBondContact O-N 3.06Å; I18-W20 VanDerWaalsContact C-N 3.33Å; I18-W20 PolarHBondContact O-N 3.37Å; W20-Y22 PolarHBondContact O-N 3Å; W20-L23 VanDerWaalsContact C-N 3.28Å; W20-L23 HydrophobicContact CB-CB 4.47Å; W20-L23 HydrophobicContact CD2-CB 3.98Å; W20-L23 HydrophobicContact CD2-CD2 4.36Å; W20-L23 HydrophobicContact CG-CB 3.91Å; W20-L23 HydrophobicContact CZ2-CD2 3.61Å; W20-L23 CarbonylContact O-C 3.58Å; W20-L23 PolarHBondContact O-N 3.2Å; W20-E24 HydrophobicContact CE3-CB 4.33Å; W20-E24 HydrophobicContact CE3-CG 3.97Å; W20-E24 HydrophobicContact CH2-CG 4.38Å; W20-E24 HydrophobicContact CZ3-CG 3.71Å; W20-E24 VanDerWaalsContact CZ3-OE1 3.22Å; W20-E24 WeakPolarHBondContact CZ3-OE1 3.47Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.34Å; W20-E24 PolarHBondContact O-N 3.45Å
21L40.8Very low41.4Very low129 Ų12998.4 Ų98.468%0.67550%0.495SS*.THydrogen-bonded Turntrans-73.6-10.3153.4-77139.7000111.8S17 T26S17-L21 PolarHBondContact O-N 3.44Å; S17-L21 VanDerWaalsContact O-N 3.14Å; L21-T26 PolarHBondContact O-OG1 2.8Å
22Y41.6Very low41.4Very low168 Ų16898.3 Ų98.366%0.65948%0.483SS*.THydrogen-bonded Turntrans-97.99.6159.4173-88.1000113.2I18 Q19 W20 T26I18-Y22 WeakPolarHBondContact O-CB 3.42Å; I18-Y22 PolarHBondContact O-N 2.93Å; I18-Y22 VanDerWaalsContact O-N 3.13Å; Q19-Y22 CarbonylContact O-C 3.59Å; Q19-Y22 WeakPolarHBondContact O-CA 3.28Å; Q19-Y22 WeakPolarHBondContact O-CB 3.42Å; W20-Y22 PolarHBondContact O-N 3Å; Y22-T26 WeakPolarHBondContact CA-OG1 3.44Å; Y22-T26 HydrophobicContact CD2-CG2 4.43Å; Y22-T26 WeakPolarHBondContact O-CB 3.48Å; Y22-T26 VanDerWaalsContact O-CG2 3.3Å; Y22-T26 WeakPolarHBondContact O-CG2 3.48Å; Y22-T26 PolarHBondContact O-OG1 2.99Å
23L35.8Very low41.5Very low85 Ų8596.1 Ų96.145%0.44548%0.477SS..THydrogen-bonded Turntrans-118.3-38.6167.1-135.285000114.7Q19 W20 T26 M27Q19-L23 WeakPolarHBondContact O-CB 3.48Å; Q19-L23 PolarHBondContact O-N 2.83Å; W20-L23 VanDerWaalsContact C-N 3.28Å; W20-L23 HydrophobicContact CB-CB 4.47Å; W20-L23 HydrophobicContact CD2-CB 3.98Å; W20-L23 HydrophobicContact CD2-CD2 4.36Å; W20-L23 HydrophobicContact CG-CB 3.91Å; W20-L23 HydrophobicContact CZ2-CD2 3.61Å; W20-L23 CarbonylContact O-C 3.58Å; W20-L23 PolarHBondContact O-N 3.2Å; L23-T26 WeakPolarHBondContact CA-OG1 3.46Å; L23-T26 PolarHBondContact N-OG1 3.38Å; L23-T26 CarbonylContact O-C 3.54Å; L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.34Å; L23-M27 PolarHBondContact O-N 3.41Å
24E32.2Very low41.9Very low28 Ų2889.6 Ų89.613%0.13146%0.455CS..SBendtrans-106-0.6-172.5-96.2-176.7167.700116.1W20 T26 M27 Y32W20-E24 HydrophobicContact CE3-CB 4.33Å; W20-E24 HydrophobicContact CE3-CG 3.97Å; W20-E24 HydrophobicContact CH2-CG 4.38Å; W20-E24 HydrophobicContact CZ3-CG 3.71Å; W20-E24 VanDerWaalsContact CZ3-OE1 3.22Å; W20-E24 WeakPolarHBondContact CZ3-OE1 3.47Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.34Å; W20-E24 PolarHBondContact O-N 3.45Å; E24-T26 PolarHBondContact N-OG1 2.82Å; E24-M27 HydrophobicContact CG-CB 4.32Å; E24-M27 HydrophobicContact CG-CE 4.38Å; E24-M27 HydrophobicContact CG-CG 4.4Å; E24-M27 HydrophobicContact CG-SD 3.83Å; E24-M27 CarbonylContact O-C 3.58Å; E24-M27 PolarHBondContact O-N 2.97Å; E24-Y32 HydrophobicContact CB-CD2 4.1Å; E24-Y32 HydrophobicContact CB-CE2 4.49Å; E24-Y32 HydrophobicContact CB-CG 4.13Å; E24-Y32 VanDerWaalsContact CD-OH 3.31Å; E24-Y32 HydrophobicContact CG-CD2 3.91Å; E24-Y32 HydrophobicContact CG-CE2 3.84Å; E24-Y32 HydrophobicContact CG-CG 4.36Å; E24-Y32 WeakPolarHBondContact OE1-CE2 3.46Å; E24-Y32 PolarHBondContact OE1-OH 2.92Å; E24-Y32 WeakPolarHBondContact OE2-CD1 3.31Å; E24-Y32 WeakPolarHBondContact OE2-CE1 3.47Å; E24-Y32 WeakPolarHBondContact OE2-CE2 3.38Å; E24-Y32 PolarHBondContact OE2-OH 3.08Å
25Y47.9Very low42.5Very low73 Ų7394 Ų9429%0.28647%0.473SS..SBendtrans-151.950.8-175.8-160.4-107.1000112.7M27 V28 T29 S30 M33Y25-M27 VanDerWaalsContact N-N 3.14Å; Y25-V28 WeakPolarHBondContact CD2-O 3.28Å; Y25-T29 HydrophobicContact CD1-CG2 3.53Å; Y25-T29 HydrophobicContact CD2-CG2 4.39Å; Y25-T29 VanDerWaalsContact CD2-N 3.34Å; Y25-T29 VanDerWaalsContact CE1-CB 3.5Å; Y25-T29 HydrophobicContact CE1-CG2 3.64Å; Y25-T29 HydrophobicContact CE2-CG2 4.49Å; Y25-T29 WeakPolarHBondContact CE2-O 3.36Å; Y25-T29 HydrophobicContact CG-CG2 3.92Å; Y25-T29 VanDerWaalsContact CZ-C 3.49Å; Y25-T29 VanDerWaalsContact CZ-CB 3.45Å; Y25-T29 VanDerWaalsContact CZ-O 3.29Å; Y25-T29 WeakPolarHBondContact O-CG2 3.3Å; Y25-T29 PolarHBondContact OH-O 3.07Å; Y25-T29 VanDerWaalsContact OH-O 3.04Å; Y25-S30 VanDerWaalsContact CE2-N 3.33Å; Y25-M33 HydrophobicContact CE2-CE 4.21Å; Y25-M33 HydrophobicContact CE2-CG 3.63Å; Y25-M33 WeakPolarHBondContact OH-CE 3.15Å
26T40.2Very low42.4Very low77 Ų7794.6 Ų94.647%0.47248%0.478SS..SBendcis80.6-81.9-3644.10000123.5L21 Y22 L23 E24 V28L21-T26 PolarHBondContact O-OG1 2.8Å; Y22-T26 WeakPolarHBondContact CA-OG1 3.44Å; Y22-T26 HydrophobicContact CD2-CG2 4.43Å; Y22-T26 WeakPolarHBondContact O-CB 3.48Å; Y22-T26 VanDerWaalsContact O-CG2 3.3Å; Y22-T26 WeakPolarHBondContact O-CG2 3.48Å; Y22-T26 PolarHBondContact O-OG1 2.99Å; L23-T26 WeakPolarHBondContact CA-OG1 3.46Å; L23-T26 PolarHBondContact N-OG1 3.38Å; L23-T26 CarbonylContact O-C 3.54Å; E24-T26 PolarHBondContact N-OG1 2.82Å; T26-V28 PolarHBondContact O-N 3.12Å
27M44.1Very low43.4Very low103 Ų10398 Ų9851%0.50749%0.487SS..SBendtrans-69.146.5152.8-71.8173.340.800110L23 E24 Y25 L31L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.34Å; L23-M27 PolarHBondContact O-N 3.41Å; E24-M27 HydrophobicContact CG-CB 4.32Å; E24-M27 HydrophobicContact CG-CE 4.38Å; E24-M27 HydrophobicContact CG-CG 4.4Å; E24-M27 HydrophobicContact CG-SD 3.83Å; E24-M27 CarbonylContact O-C 3.58Å; E24-M27 PolarHBondContact O-N 2.97Å; Y25-M27 VanDerWaalsContact N-N 3.14Å; M27-L31 VanDerWaalsContact O-CB 3.25Å; M27-L31 WeakPolarHBondContact O-CB 3.2Å
28V52.8Low43.5Very low78 Ų7898.1 Ų98.147%0.47348%0.481SS..  trans64.2114.4-178.8-166.80000112.4Y25 T26 S30 L31Y25-V28 WeakPolarHBondContact CD2-O 3.28Å; T26-V28 PolarHBondContact O-N 3.12Å; V28-S30 PolarHBondContact O-N 2.83Å; V28-L31 HydrophobicContact CB-CB 4.28Å; V28-L31 HydrophobicContact CB-CD1 3.99Å; V28-L31 HydrophobicContact CG2-CD1 4Å; V28-L31 PolarHBondContact O-N 3.43Å
29T43.9Very low43.4Very low81 Ų8194.7 Ų94.750%0.49746%0.46SS..THydrogen-bonded Turn46.9-29.6105.81350000120.7Y25Y25-T29 HydrophobicContact CD1-CG2 3.53Å; Y25-T29 HydrophobicContact CD2-CG2 4.39Å; Y25-T29 VanDerWaalsContact CD2-N 3.34Å; Y25-T29 VanDerWaalsContact CE1-CB 3.5Å; Y25-T29 HydrophobicContact CE1-CG2 3.64Å; Y25-T29 HydrophobicContact CE2-CG2 4.49Å; Y25-T29 WeakPolarHBondContact CE2-O 3.36Å; Y25-T29 HydrophobicContact CG-CG2 3.92Å; Y25-T29 VanDerWaalsContact CZ-C 3.49Å; Y25-T29 VanDerWaalsContact CZ-CB 3.45Å; Y25-T29 VanDerWaalsContact CZ-O 3.29Å; Y25-T29 WeakPolarHBondContact O-CG2 3.3Å; Y25-T29 PolarHBondContact OH-O 3.07Å; Y25-T29 VanDerWaalsContact OH-O 3.04Å
30S36.8Very low43.7Very low69 Ų6998 Ų9848%0.48347%0.468SS..THydrogen-bonded Turntrans-166.4-27-168.3-44.50000112.8Y25 V28 Y32 M33 M34Y25-S30 VanDerWaalsContact CE2-N 3.33Å; V28-S30 PolarHBondContact O-N 2.83Å; S30-Y32 PolarHBondContact O-N 2.79Å; S30-M33 WeakPolarHBondContact O-CA 3.42Å; S30-M33 WeakPolarHBondContact O-CB 3.19Å; S30-M33 PolarHBondContact O-N 3.34Å; S30-M34 PolarHBondContact O-N 3.44Å
31L48.4Very low44.5Very low56 Ų5693.3 Ų93.329%0.29346%0.459SS..THydrogen-bonded Turntrans-72.5-16-177.9-94.5150000112.9M27 V28 M34 R39 Y42M27-L31 VanDerWaalsContact O-CB 3.25Å; M27-L31 WeakPolarHBondContact O-CB 3.2Å; V28-L31 HydrophobicContact CB-CB 4.28Å; V28-L31 HydrophobicContact CB-CD1 3.99Å; V28-L31 HydrophobicContact CG2-CD1 4Å; V28-L31 PolarHBondContact O-N 3.43Å; L31-M34 HydrophobicContact CD2-CE 4.13Å; L31-M34 HydrophobicContact CD2-SD 3.99Å; L31-M34 HydrophobicContact CG-CE 4.38Å; L31-R39 WeakPolarHBondContact O-CD 3.4Å; L31-R39 PolarHBondContact O-NE 3.39Å; L31-Y42 HydrophobicContact CD2-CD1 4.43Å; L31-Y42 HydrophobicContact CD2-CE1 4.38Å
32Y39.2Very low45Very low97 Ų9792.2 Ų92.238%0.3845%0.447SS..THydrogen-bonded Turntrans-104.13.2160-104.2-107000116.4E24 S30 M34 R39E24-Y32 HydrophobicContact CB-CD2 4.1Å; E24-Y32 HydrophobicContact CB-CE2 4.49Å; E24-Y32 HydrophobicContact CB-CG 4.13Å; E24-Y32 VanDerWaalsContact CD-OH 3.31Å; E24-Y32 HydrophobicContact CG-CD2 3.91Å; E24-Y32 HydrophobicContact CG-CE2 3.84Å; E24-Y32 HydrophobicContact CG-CG 4.36Å; E24-Y32 WeakPolarHBondContact OE1-CE2 3.46Å; E24-Y32 PolarHBondContact OE1-OH 2.92Å; E24-Y32 WeakPolarHBondContact OE2-CD1 3.31Å; E24-Y32 WeakPolarHBondContact OE2-CE1 3.47Å; E24-Y32 WeakPolarHBondContact OE2-CE2 3.38Å; E24-Y32 PolarHBondContact OE2-OH 3.08Å; S30-Y32 PolarHBondContact O-N 2.79Å; Y32-M34 VanDerWaalsContact C-N 3.32Å; Y32-R39 VanDerWaalsContact CD1-CZ 3.43Å; Y32-R39 VanDerWaalsContact CE1-CZ 3.46Å; Y32-R39 PolarHBondContact O-NH2 3.01Å; Y32-R39 PolarHBondContact OH-NH1 3.45Å
33M42Very low45.3Very low137 Ų13789 Ų8968%0.67544%0.441SS*.THydrogen-bonded Turntrans-78.5-19.7160.3-75.7-83.9170.900111.9Y25 S30Y25-M33 HydrophobicContact CE2-CE 4.21Å; Y25-M33 HydrophobicContact CE2-CG 3.63Å; Y25-M33 WeakPolarHBondContact OH-CE 3.15Å; S30-M33 WeakPolarHBondContact O-CA 3.42Å; S30-M33 WeakPolarHBondContact O-CB 3.19Å; S30-M33 PolarHBondContact O-N 3.34Å
34M47.7Very low46.1Very low52 Ų5287.7 Ų87.726%0.25644%0.437SS..SBendtrans-63.5141.1172.1-68.8176.5-174.800111.9S30 L31 Y32 E38 R39S30-M34 PolarHBondContact O-N 3.44Å; L31-M34 HydrophobicContact CD2-CE 4.13Å; L31-M34 HydrophobicContact CD2-SD 3.99Å; L31-M34 HydrophobicContact CG-CE 4.38Å; Y32-M34 VanDerWaalsContact C-N 3.32Å; M34-E38 VanDerWaalsContact CA-OE2 3.29Å; M34-E38 WeakPolarHBondContact CA-OE2 3.31Å; M34-E38 HydrophobicContact CB-CB 4.15Å; M34-R39 HydrophobicContact CB-CG 3.66Å; M34-R39 VanDerWaalsContact O-CZ 3.28Å; M34-R39 PolarHBondContact O-NE 2.96Å; M34-R39 PolarHBondContact O-NH2 2.89Å; M34-R39 HydrophobicContact SD-CG 4.26Å
35E56Low47Very low109 Ų10992 Ų9251%0.50946%0.459SS..  trans-71.3161.7173.6-68.3-162.1156.700112.6W37 E38 R39E35-W37 VanDerWaalsContact C-N 3.27Å; E35-W37 PolarHBondContact O-N 3.41Å; E35-W37 VanDerWaalsContact O-N 3.15Å; E35-W37 PolarHBondContact OE2-NE1 2.95Å; E35-E38 HydrophobicContact CB-CG 4.1Å; E35-E38 PolarHBondContact N-OE2 3.4Å; E35-E38 WeakPolarHBondContact O-CB 3.29Å; E35-E38 PolarHBondContact O-N 3.46Å; E35-R39 PolarHBondContact O-N 3.26Å
36P41.2Very low47Very low110 Ų11095 Ų9571%0.71447%0.474SS*.Hα-helixtrans-58.4-30.2-174.4-28.336.9000115.7
37W60.7Low47.1Very low166 Ų16694.4 Ų94.463%0.62947%0.473SS*.Hα-helixtrans-81.3-31.4177.165.7-85.1000112.3E35 Y40 A41E35-W37 VanDerWaalsContact C-N 3.27Å; E35-W37 PolarHBondContact O-N 3.41Å; E35-W37 VanDerWaalsContact O-N 3.15Å; E35-W37 PolarHBondContact OE2-NE1 2.95Å; W37-Y40 PolarHBondContact O-N 2.86Å; W37-A41 PolarHBondContact O-N 2.73Å
38E43.1Very low47.3Very low73 Ų7393.4 Ų93.434%0.34147%0.473SS..Hα-helixtrans-67.4-41.3179.1-60.4-179.3142.800111.7M34 E35 A41 Y42M34-E38 VanDerWaalsContact CA-OE2 3.29Å; M34-E38 WeakPolarHBondContact CA-OE2 3.31Å; M34-E38 HydrophobicContact CB-CB 4.15Å; E35-E38 HydrophobicContact CB-CG 4.1Å; E35-E38 PolarHBondContact N-OE2 3.4Å; E35-E38 WeakPolarHBondContact O-CB 3.29Å; E35-E38 PolarHBondContact O-N 3.46Å; E38-A41 WeakPolarHBondContact O-CB 3.38Å; E38-A41 PolarHBondContact O-N 2.76Å; E38-Y42 PolarHBondContact O-N 2.9Å
39R41.8Very low46.8Very low52 Ų5292.5 Ų92.520%0.19647%0.474CS..Hα-helixtrans-67-36.7174.3-62.3-170.1-152.7126.811.3112.9L31 Y32 M34 E35 A41 Y42 N43L31-R39 WeakPolarHBondContact O-CD 3.4Å; L31-R39 PolarHBondContact O-NE 3.39Å; Y32-R39 VanDerWaalsContact CD1-CZ 3.43Å; Y32-R39 VanDerWaalsContact CE1-CZ 3.46Å; Y32-R39 PolarHBondContact O-NH2 3.01Å; Y32-R39 PolarHBondContact OH-NH1 3.45Å; M34-R39 HydrophobicContact CB-CG 3.66Å; M34-R39 VanDerWaalsContact O-CZ 3.28Å; M34-R39 PolarHBondContact O-NE 2.96Å; M34-R39 PolarHBondContact O-NH2 2.89Å; M34-R39 HydrophobicContact SD-CG 4.26Å; E35-R39 PolarHBondContact O-N 3.26Å; R39-A41 VanDerWaalsContact C-N 3.32Å; R39-Y42 PolarHBondContact O-N 3.13Å; R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 2.91Å
40Y47.2Very low47Very low177 Ų17796.1 Ų96.169%0.69448%0.483SS*.Hα-helixtrans-62.3-43.7174.7-172.3-94.4000110.2W37 T44W37-Y40 PolarHBondContact O-N 2.86Å; Y40-T44 WeakPolarHBondContact O-CB 3.44Å; Y40-T44 PolarHBondContact O-N 3.4Å; Y40-T44 PolarHBondContact O-OG1 2.84Å
41A51Low47.1Very low39 Ų3997.5 Ų97.532%0.32248%0.483SS..Hα-helixtrans-61.6-49.7173.100000112.3W37 E38 R39 N43 T44 I45W37-A41 PolarHBondContact O-N 2.73Å; E38-A41 WeakPolarHBondContact O-CB 3.38Å; E38-A41 PolarHBondContact O-N 2.76Å; R39-A41 VanDerWaalsContact C-N 3.32Å; A41-N43 PolarHBondContact O-N 2.87Å; A41-T44 PolarHBondContact O-N 3.22Å; A41-I45 WeakPolarHBondContact O-CB 3.41Å; A41-I45 WeakPolarHBondContact O-CD1 3.34Å; A41-I45 VanDerWaalsContact O-CG1 3.24Å; A41-I45 WeakPolarHBondContact O-CG1 3.44Å; A41-I45 PolarHBondContact O-N 3.05Å
42Y50.8Low46.8Very low107 Ų107101.6 Ų101.642%0.4250%0.499SS..Hα-helixtrans-57.9-52.3-178.6-174.3-92.5000112.6L31 E38 R39 T44 I45 F46L31-Y42 HydrophobicContact CD2-CD1 4.43Å; L31-Y42 HydrophobicContact CD2-CE1 4.38Å; E38-Y42 PolarHBondContact O-N 2.9Å; R39-Y42 PolarHBondContact O-N 3.13Å; Y42-T44 VanDerWaalsContact C-N 3.34Å; Y42-T44 PolarHBondContact O-N 3.38Å; Y42-I45 PolarHBondContact O-N 3.28Å; Y42-F46 PolarHBondContact O-N 2.99Å
43N49.5Very low47Very low99 Ų9999.9 Ų99.953%0.52951%0.505SS..Hα-helixtrans-66.6-35.8-180-74.9-19.9000112.2R39 A41 S47R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 2.91Å; A41-N43 PolarHBondContact O-N 2.87Å; N43-S47 WeakPolarHBondContact O-CB 3.44Å; N43-S47 PolarHBondContact O-N 3.14Å; N43-S47 PolarHBondContact O-OG 2.87Å
44T52.5Low47.1Very low59 Ų5996.2 Ų96.236%0.36249%0.493SS..Hα-helixtrans-66.4-45.4176.1-57.70000111Y40 A41 Y42 S47 V48Y40-T44 WeakPolarHBondContact O-CB 3.44Å; Y40-T44 PolarHBondContact O-N 3.4Å; Y40-T44 PolarHBondContact O-OG1 2.84Å; A41-T44 PolarHBondContact O-N 3.22Å; Y42-T44 VanDerWaalsContact C-N 3.34Å; Y42-T44 PolarHBondContact O-N 3.38Å; T44-S47 PolarHBondContact O-N 2.87Å; T44-V48 HydrophobicContact CG2-CG2 4.16Å; T44-V48 VanDerWaalsContact O-CB 3.26Å; T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 WeakPolarHBondContact O-CG2 3.32Å; T44-V48 PolarHBondContact O-N 2.82Å
45I51.1Low46.7Very low117 Ų11797.1 Ų97.160%0.650%0.501SS*.Hα-helixtrans-62.3-46.3178.7-68.8163.7000111A41 Y42 V48 A49A41-I45 WeakPolarHBondContact O-CB 3.41Å; A41-I45 WeakPolarHBondContact O-CD1 3.34Å; A41-I45 VanDerWaalsContact O-CG1 3.24Å; A41-I45 WeakPolarHBondContact O-CG1 3.44Å; A41-I45 PolarHBondContact O-N 3.05Å; Y42-I45 PolarHBondContact O-N 3.28Å; I45-V48 PolarHBondContact O-N 2.87Å; I45-A49 WeakPolarHBondContact O-CB 3.27Å; I45-A49 PolarHBondContact O-N 2.88Å
46F47.1Very low46.1Very low136 Ų13694.7 Ų94.760%0.59650%0.496SS*.Hα-helixtrans-68.1-41.1-178.5-136.9-83000112Y42 A49 F50Y42-F46 PolarHBondContact O-N 2.99Å; F46-A49 PolarHBondContact O-N 3.45Å; F46-F50 WeakPolarHBondContact O-CB 3.46Å; F46-F50 PolarHBondContact O-N 3.17Å
47S42Very low46.1Very low66 Ų6697.5 Ų97.546%0.46249%0.493SS..Hα-helixtrans-66.3-44.3176.7-58.20000111.4N43 T44 F50 I51N43-S47 WeakPolarHBondContact O-CB 3.44Å; N43-S47 PolarHBondContact O-N 3.14Å; N43-S47 PolarHBondContact O-OG 2.87Å; T44-S47 PolarHBondContact O-N 2.87Å; S47-F50 PolarHBondContact O-N 3.4Å; S47-I51 VanDerWaalsContact O-CB 3.31Å; S47-I51 WeakPolarHBondContact O-CB 3.47Å; S47-I51 WeakPolarHBondContact O-CD1 3.15Å; S47-I51 WeakPolarHBondContact O-CG1 3.49Å; S47-I51 PolarHBondContact O-N 3.39Å
48V48.3Very low44.8Very low82 Ų8292.2 Ų92.250%0.49748%0.484SS..Hα-helixtrans-66-39.8177.3170.60000111.3T44 I45 I51 F52T44-V48 HydrophobicContact CG2-CG2 4.16Å; T44-V48 VanDerWaalsContact O-CB 3.26Å; T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 WeakPolarHBondContact O-CG2 3.32Å; T44-V48 PolarHBondContact O-N 2.82Å; I45-V48 PolarHBondContact O-N 2.87Å; V48-I51 PolarHBondContact O-N 2.94Å; V48-F52 VanDerWaalsContact O-CB 3.29Å; V48-F52 WeakPolarHBondContact O-CB 3.38Å; V48-F52 PolarHBondContact O-N 2.8Å
49A42.9Very low44.4Very low59 Ų5994.3 Ų94.349%0.48850%0.495SS..Hα-helixtrans-65-40.917600000112.5I45 F46 F52 A53I45-A49 WeakPolarHBondContact O-CB 3.27Å; I45-A49 PolarHBondContact O-N 2.88Å; F46-A49 PolarHBondContact O-N 3.45Å; A49-F52 PolarHBondContact O-N 2.87Å; A49-A53 WeakPolarHBondContact O-CB 3.44Å; A49-A53 PolarHBondContact O-N 2.87Å
50F47.3Very low44.2Very low157 Ų15795.5 Ų95.569%0.68952%0.516SS*.Hα-helixtrans-68.6-42.6176.2-164.2-94.7000111.7F46 S47 F52 A53 S54F46-F50 WeakPolarHBondContact O-CB 3.46Å; F46-F50 PolarHBondContact O-N 3.17Å; S47-F50 PolarHBondContact O-N 3.4Å; F50-F52 VanDerWaalsContact C-N 3.34Å; F50-F52 PolarHBondContact O-N 2.94Å; F50-A53 PolarHBondContact O-N 3.01Å; F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.12Å; F50-S54 VanDerWaalsContact O-OG 3.04Å
51I38.9Very low43.5Very low97 Ų9793.6 Ų93.650%0.49751%0.513SS..Hα-helixtrans-58.3-45.7171.4-71.3164.6000110S47 V48 A53 S54 V55S47-I51 VanDerWaalsContact O-CB 3.31Å; S47-I51 WeakPolarHBondContact O-CB 3.47Å; S47-I51 WeakPolarHBondContact O-CD1 3.15Å; S47-I51 WeakPolarHBondContact O-CG1 3.49Å; S47-I51 PolarHBondContact O-N 3.39Å; V48-I51 PolarHBondContact O-N 2.94Å; I51-A53 VanDerWaalsContact C-N 3.35Å; I51-A53 PolarHBondContact O-N 2.82Å; I51-S54 WeakPolarHBondContact CA-OG 3.43Å; I51-S54 PolarHBondContact O-N 2.83Å; I51-S54 PolarHBondContact O-OG 3.28Å; I51-V55 HydrophobicContact CG2-CG2 4.02Å; I51-V55 WeakPolarHBondContact O-CB 3.31Å; I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 3.45Å
52F42Very low42.3Very low143 Ų14398.1 Ų98.163%0.62753%0.528SS*.Hα-helixtrans-67.1-33.8-179.8-149.4-85.7000112.5V48 A49 F50 S56V48-F52 VanDerWaalsContact O-CB 3.29Å; V48-F52 WeakPolarHBondContact O-CB 3.38Å; V48-F52 PolarHBondContact O-N 2.8Å; A49-F52 PolarHBondContact O-N 2.87Å; F50-F52 VanDerWaalsContact C-N 3.34Å; F50-F52 PolarHBondContact O-N 2.94Å; F52-S56 WeakPolarHBondContact O-CB 3.44Å; F52-S56 PolarHBondContact O-N 3.07Å; F52-S56 PolarHBondContact O-OG 3.36Å
53A42.8Very low41.3Very low61 Ų6195.9 Ų95.950%0.50454%0.538SS..Hα-helixtrans-69.8-43.9173.200000112.1A49 F50 I51 S56 R57A49-A53 WeakPolarHBondContact O-CB 3.44Å; A49-A53 PolarHBondContact O-N 2.87Å; F50-A53 PolarHBondContact O-N 3.01Å; I51-A53 VanDerWaalsContact C-N 3.35Å; I51-A53 PolarHBondContact O-N 2.82Å; A53-S56 PolarHBondContact O-N 3.19Å; A53-R57 PolarHBondContact O-N 2.85Å
54S45.8Very low40.1Very low60 Ų6097.5 Ų97.542%0.4255%0.551SS.*Hα-helixtrans-67.5-36.8174.755.30000112.7F50 I51 R57 A58F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.12Å; F50-S54 VanDerWaalsContact O-OG 3.04Å; I51-S54 WeakPolarHBondContact CA-OG 3.43Å; I51-S54 PolarHBondContact O-N 2.83Å; I51-S54 PolarHBondContact O-OG 3.28Å; S54-R57 PolarHBondContact O-N 3.39Å; S54-A58 PolarHBondContact O-N 3.17Å
55V39.3Very low39Very low70 Ų7099.7 Ų99.742%0.42457%0.569SS.*Hα-helixtrans-72.1-38.4175.5169.60000110.8I51 R57 A58 M59I51-V55 HydrophobicContact CG2-CG2 4.02Å; I51-V55 WeakPolarHBondContact O-CB 3.31Å; I51-V55 WeakPolarHBondContact O-CG2 3.47Å; I51-V55 PolarHBondContact O-N 3.45Å; V55-R57 PolarHBondContact O-N 2.93Å; V55-A58 CarbonylContact O-C 3.52Å; V55-A58 WeakPolarHBondContact O-CB 3.26Å; V55-A58 PolarHBondContact O-N 3.35Å; V55-M59 HydrophobicContact CG1-CG 4.23Å; V55-M59 WeakPolarHBondContact O-CB 3.43Å; V55-M59 WeakPolarHBondContact O-CG 3.34Å; V55-M59 PolarHBondContact O-N 2.77Å
56S42.5Very low37.8Very low58 Ų5899 Ų9941%0.40658%0.575SS.*Hα-helixtrans-64.4-30.8173-61.60000111.8F52 A53 A60F52-S56 WeakPolarHBondContact O-CB 3.44Å; F52-S56 PolarHBondContact O-N 3.07Å; F52-S56 PolarHBondContact O-OG 3.36Å; A53-S56 PolarHBondContact O-N 3.19Å; S56-A60 WeakPolarHBondContact O-CB 3.35Å; S56-A60 PolarHBondContact O-N 2.78Å
57R40.7Very low37.1Very low170 Ų17098.4 Ų98.464%0.64258%0.584SS**Hα-helixtrans-75.2-38.4172-166.9167.3-178.8162.5-1.6112.5A53 S54 V55 M59 A60 E61A53-R57 PolarHBondContact O-N 2.85Å; S54-R57 PolarHBondContact O-N 3.39Å; V55-R57 PolarHBondContact O-N 2.93Å; R57-M59 VanDerWaalsContact C-N 3.3Å; R57-M59 PolarHBondContact O-N 2.85Å; R57-A60 PolarHBondContact O-N 2.88Å; R57-A60 VanDerWaalsContact O-N 3.1Å; R57-E61 IonicContact CZ-OE1 2.7Å; R57-E61 IonicContact NE-OE1 3.07Å; R57-E61 PolarHBondContact NE-OE1 3.11Å; R57-E61 IonicContact NH2-OE1 3.07Å; R57-E61 PolarHBondContact O-N 3.14Å
58A34.9Very low36.8Very low55 Ų55100.1 Ų100.146%0.45560%0.597SS.*Hα-helixtrans-60.2-39.2169.500000112S54 V55 A60 E62S54-A58 PolarHBondContact O-N 3.17Å; V55-A58 CarbonylContact O-C 3.52Å; V55-A58 WeakPolarHBondContact O-CB 3.26Å; V55-A58 PolarHBondContact O-N 3.35Å; A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 2.85Å; A58-E62 PolarHBondContact O-N 2.65Å
59M34.3Very low36.3Very low117 Ų117102.5 Ų102.558%0.57661%0.611SS**Hα-helixtrans-70.7-24174.1-61.9-93.283.100113.1V55 R57 E62V55-M59 HydrophobicContact CG1-CG 4.23Å; V55-M59 WeakPolarHBondContact O-CB 3.43Å; V55-M59 WeakPolarHBondContact O-CG 3.34Å; V55-M59 PolarHBondContact O-N 2.77Å; R57-M59 VanDerWaalsContact C-N 3.3Å; R57-M59 PolarHBondContact O-N 2.85Å; M59-E62 VanDerWaalsContact CE-OE2 3.24Å; M59-E62 WeakPolarHBondContact CE-OE2 3.49Å
60A37.4Very low36.4Very low76 Ų76104.2 Ų104.263%0.62862%0.617SS**Hα-helixtrans-87.9-27.1176.700000113.1S56 R57 A58S56-A60 WeakPolarHBondContact O-CB 3.35Å; S56-A60 PolarHBondContact O-N 2.78Å; R57-A60 PolarHBondContact O-N 2.88Å; R57-A60 VanDerWaalsContact O-N 3.1Å; A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 2.85Å
61E33.3Very low37.1Very low137 Ų13798.1 Ų98.164%0.6460%0.599SS**Hα-helixtrans-86.7-12172.4-71.1174-160.100112R57 G63R57-E61 IonicContact CZ-OE1 2.7Å; R57-E61 IonicContact NE-OE1 3.07Å; R57-E61 PolarHBondContact NE-OE1 3.11Å; R57-E61 IonicContact NH2-OE1 3.07Å; R57-E61 PolarHBondContact O-N 3.14Å; E61-G63 PolarHBondContact O-N 3.31Å
62E25.1Very low38.6Very low134 Ų134100.5 Ų100.563%0.62661%0.606SS**  trans-69.149150.7-75.4-167.6160.200112.2A58 M59 T64A58-E62 PolarHBondContact O-N 2.65Å; M59-E62 VanDerWaalsContact CE-OE2 3.24Å; M59-E62 WeakPolarHBondContact CE-OE2 3.49Å; E62-T64 PolarHBondContact O-N 3.01Å
63G29.6Very low40.1Very low61 Ų6197.9 Ų97.963%0.62960%0.597SS**  trans-61.892.7153.300000107.7E61 S65E61-G63 PolarHBondContact O-N 3.31Å; G63-S65 PolarHBondContact O-N 3.23Å
64T25Very low41.8Very low132 Ų13299.5 Ų99.581%0.8159%0.594SS**  trans-45105-178.650.10000110E62 S66E62-T64 PolarHBondContact O-N 3.01Å; T64-S66 PolarHBondContact O-N 3.19Å
65S28Very low43.4Very low106 Ų10698.8 Ų98.874%0.74159%0.585SS**  trans-58.2114.6168.157.70000106.4G63G63-S65 PolarHBondContact O-N 3.23Å
66S27.3Very low45.3Very low102 Ų102100.1 Ų100.171%0.71359%0.589SS**  trans-49.7131.4170.948.10000107.6T64 S68T64-S66 PolarHBondContact O-N 3.19Å; S66-S68 PolarHBondContact O-N 2.91Å
67P30.9Very low47.2Very low123 Ų12398.6 Ų98.680%0.79958%0.577SS**  trans-58.3110.2-167.520.8-32.5000108.9V69P67-V69 PolarHBondContact O-N 2.89Å
68S36Very low49Very low103 Ų10397.2 Ų97.272%0.7258%0.575SS**  trans-53.7119.6178.457.50000107.4S66 P70S66-S68 PolarHBondContact O-N 2.91Å; S68-P70 VanDerWaalsContact O-N 3.16Å
69V37.7Very low51Low131 Ų13196.4 Ų96.479%0.79457%0.565SS**  trans-42.9124.1-176.1178.30000108.7P67 G71P67-V69 PolarHBondContact O-N 2.89Å; V69-G71 PolarHBondContact O-N 2.86Å
70P45.1Very low52.8Low95 Ų9596.6 Ų96.662%0.61757%0.573SS**  trans-60.499.7-166.921-33000110.9S68S68-P70 VanDerWaalsContact O-N 3.16Å
71G62.1Low54.5Low30 Ų3096.3 Ų96.331%0.30958%0.577SS.*  trans-70159.7-179.100000111.5V69 A94 T95V69-G71 PolarHBondContact O-N 2.86Å; G71-A94 WeakPolarHBondContact O-CA 3.35Å; G71-T95 WeakPolarHBondContact O-CG2 3.11Å; G71-T95 PolarHBondContact O-N 3.3Å; G71-T95 PolarHBondContact O-OG1 3.39Å
72K71.5Confident56.4Low147 Ų14798 Ų9864%0.63959%0.591SS**EExtended strand (participates in β ladder)trans-104.1133166.2-64.6176.7169.7-174.60109E92 V93K72-E92 HydrophobicContact CB-CB 4.37Å; K72-E92 HydrophobicContact CD-CB 4.11Å; K72-E92 WeakPolarHBondContact CD-OE2 3.4Å; K72-E92 IonicContact NZ-OE2 3.96Å; K72-E92 PolarHBondContact NZ-OE2 3.43Å; K72-V93 CarbonylContact C-O 3.56Å; K72-V93 WeakPolarHBondContact CA-O 3.17Å
73I74.1Confident58.6Low88 Ų8893.6 Ų93.645%0.45158%0.577SS.*EExtended strand (participates in β ladder)trans-96.1136.2170.7-57.7174.7000107.9L75 E92 V93 T95I73-L75 HydrophobicContact CG2-CD2 4.11Å; I73-E92 WeakPolarHBondContact O-CA 3.34Å; I73-V93 PolarHBondContact N-O 2.9Å; I73-V93 PolarHBondContact O-N 2.92Å; I73-T95 HydrophobicContact CD1-CG2 3.88Å; I73-T95 HydrophobicContact CG1-CG2 3.68Å
74E77.1Confident60.7Low94 Ų9493.9 Ų93.944%0.43957%0.568SS.*EExtended strand (participates in β ladder)trans-82.9116169.4-176.5-178.8156.100110.3I76 K90 W91E74-I76 HydrophobicContact CG-CG1 4.38Å; E74-K90 HydrophobicContact CG-CD 4.28Å; E74-K90 HydrophobicContact CG-CG 3.92Å; E74-K90 WeakPolarHBondContact OE1-CD 3.42Å; E74-K90 WeakPolarHBondContact OE1-CE 3.45Å; E74-K90 IonicContact OE1-NZ 3.79Å; E74-K90 PolarHBondContact OE1-NZ 2.93Å; E74-K90 WeakPolarHBondContact OE2-CE 3.29Å; E74-K90 IonicContact OE2-NZ 2.85Å; E74-K90 PolarHBondContact OE2-NZ 2.87Å; E74-W91 CarbonylContact C-O 3.57Å; E74-W91 WeakPolarHBondContact CA-O 3.3Å
75L79.9Confident63.1Low45 Ų4593.9 Ų93.924%0.23656%0.562CS.*EExtended strand (participates in β ladder)trans-99.9121.5173.2-59.9-179.2000109.8I73 K90 W91 V93 L102I73-L75 HydrophobicContact CG2-CD2 4.11Å; L75-K90 WeakPolarHBondContact O-CA 2.84Å; L75-W91 HydrophobicContact CB-CB 4.44Å; L75-W91 PolarHBondContact N-O 3.01Å; L75-W91 PolarHBondContact O-N 3.32Å; L75-V93 HydrophobicContact CD1-CB 3.93Å; L75-V93 HydrophobicContact CD1-CG2 3.6Å; L75-V93 HydrophobicContact CG-CB 4.44Å; L75-V93 HydrophobicContact CG-CG2 4.3Å; L75-L102 HydrophobicContact CD1-CD1 3.48Å; L75-L102 VanDerWaalsContact CD1-CD1 3.48Å; L75-L102 HydrophobicContact CD1-CD2 3.82Å; L75-L102 HydrophobicContact CD1-CG 4.3Å
76I80.1Confident65.3Low99 Ų9989.7 Ų89.751%0.50853%0.531SS..EExtended strand (participates in β ladder)trans-104.5103.6172-57.7177.2000108.8E74 K78 R89E74-I76 HydrophobicContact CG-CG1 4.38Å; I76-K78 HydrophobicContact CG2-CG 4.42Å; I76-R89 CarbonylContact C-O 3.37Å; I76-R89 VanDerWaalsContact CA-O 3.29Å; I76-R89 WeakPolarHBondContact CA-O 3.45Å
77L81.7Confident67.5Low26 Ų2694.3 Ų94.314%0.13654%0.538CS..  trans-87.9124.4177.8-57.6175.1000109.7M86 R89 I106L77-M86 HydrophobicContact CB-CE 3.58Å; L77-M86 HydrophobicContact CB-SD 4.38Å; L77-M86 HydrophobicContact CD1-CE 4.25Å; L77-M86 HydrophobicContact CD1-SD 4.08Å; L77-R89 PolarHBondContact N-O 2.9Å; L77-I106 HydrophobicContact CD1-CD1 3.55Å; L77-I106 HydrophobicContact CD1-CG1 3.87Å; L77-I106 HydrophobicContact CD2-CD1 3.81Å; L77-I106 HydrophobicContact CG-CD1 4.34Å
78K77.2Confident69.7Low141 Ų14192.5 Ų92.561%0.61352%0.522SS*.  trans-118.1128174.9-67.3-176.5179.4-179.70109.4I76I76-K78 HydrophobicContact CG2-CG 4.42Å
79P78.6Confident71.8Confident38 Ų3893.6 Ų93.625%0.24751%0.51CS..  trans-65.9144.5168.929.5-33.9000109.9A83P79-A83 HydrophobicContact CB-CB 3.94Å; P79-A83 WeakPolarHBondContact CB-O 3.13Å
80V72.4Confident73.8Confident121 Ų12193.3 Ų93.373%0.73350%0.498SS*.  trans-137.6138.1175.5-178.50000107A83V80-A83 WeakPolarHBondContact O-CB 3.22Å
81G71.9Confident75.6Confident70 Ų7091.6 Ų91.672%0.72248%0.479SS*.THydrogen-bonded Turntrans64.2-144.6-169.900000111.8A83G81-A83 PolarHBondContact O-N 2.83Å; G81-A83 VanDerWaalsContact O-N 3.16Å
82D73.4Confident76.5Confident172 Ų17296 Ų9692%0.9249%0.491SS*.THydrogen-bonded Turntrans-78.911.6-176.3-54.9-43.9000114.2
83A72Confident77.1Confident42 Ų4289.7 Ų89.735%0.34747%0.465SS..  trans-61132.1-179.800000111.9P79 V80 G81 I85P79-A83 HydrophobicContact CB-CB 3.94Å; P79-A83 WeakPolarHBondContact CB-O 3.13Å; V80-A83 WeakPolarHBondContact O-CB 3.22Å; G81-A83 PolarHBondContact O-N 2.83Å; G81-A83 VanDerWaalsContact O-N 3.16Å; A83-I85 PolarHBondContact O-N 3.38Å
84P73.8Confident77.3Confident67 Ų6787.1 Ų87.144%0.43546%0.458SS..  trans-56.6136.8-177.4-25.732.8000113.6M86 L110P84-M86 PolarHBondContact O-N 2.89Å; P84-L110 HydrophobicContact CB-CD2 4.07Å
85I74.2Confident77.3Confident132 Ų13286 Ų8668%0.67746%0.457SS*.  trans-73.8103.9-178.3-55.2177.2000110A83A83-I85 PolarHBondContact O-N 3.38Å
86M73.6Confident77.1Confident18 Ų1889.1 Ų89.19%0.08948%0.478CS..  trans-64.2136.7172-67.8174.2-7800111.4L77 P84 Y109 L110L77-M86 HydrophobicContact CB-CE 3.58Å; L77-M86 HydrophobicContact CB-SD 4.38Å; L77-M86 HydrophobicContact CD1-CE 4.25Å; L77-M86 HydrophobicContact CD1-SD 4.08Å; P84-M86 PolarHBondContact O-N 2.89Å; M86-Y109 HydrophobicContact CB-CE1 4.29Å; M86-Y109 HydrophobicContact CG-CD1 4.3Å; M86-Y109 HydrophobicContact CG-CE1 3.98Å; M86-L110 HydrophobicContact CG-CD2 3.65Å; M86-L110 HydrophobicContact SD-CD2 4.37Å
87K74.2Confident77.2Confident199 Ų19991 Ų9187%0.86548%0.479SS*.SBendtrans-63.7-50.9171.9-73.8-175.8175.1-178.60110.7
88D76.5Confident77.3Confident85 Ų8594 Ų9446%0.45550%0.498SS..  trans-97.7109.9-179.7-53-59000109.9W91 Y109D88-W91 HydrophobicContact CB-CH2 4.49Å; D88-W91 HydrophobicContact CB-CZ2 3.79Å; D88-W91 PolarHBondContact O-NE1 2.99Å; D88-Y109 PolarHBondContact OD2-OH 2.73Å; D88-Y109 VanDerWaalsContact OD2-OH 3.13Å
89R79.8Confident77.3Confident126 Ų12692.5 Ų92.548%0.47550%0.501SS..  trans-92.4-15.8-178.7-63.9-175.9-176.3-172.9-0.9113.8I76 L77I76-R89 CarbonylContact C-O 3.37Å; I76-R89 VanDerWaalsContact CA-O 3.29Å; I76-R89 WeakPolarHBondContact CA-O 3.45Å; L77-R89 PolarHBondContact N-O 2.9Å
90K80.7Confident77.1Confident125 Ų12593.8 Ų93.854%0.54352%0.515SS..EExtended strand (participates in β ladder)trans-118.9123.8-173.6173.7175.9169138.10109.2E74 L75E74-K90 HydrophobicContact CG-CD 4.28Å; E74-K90 HydrophobicContact CG-CG 3.92Å; E74-K90 WeakPolarHBondContact OE1-CD 3.42Å; E74-K90 WeakPolarHBondContact OE1-CE 3.45Å; E74-K90 IonicContact OE1-NZ 3.79Å; E74-K90 PolarHBondContact OE1-NZ 2.93Å; E74-K90 WeakPolarHBondContact OE2-CE 3.29Å; E74-K90 IonicContact OE2-NZ 2.85Å; E74-K90 PolarHBondContact OE2-NZ 2.87Å; L75-K90 WeakPolarHBondContact O-CA 2.84Å
91W82.9Confident77.9Confident59 Ų5991.9 Ų91.922%0.22349%0.494CS..EExtended strand (participates in β ladder)trans-130.9138.6-175.4-65.885.8000110.3E74 L75 D88 V93 F105 Y109E74-W91 CarbonylContact C-O 3.57Å; E74-W91 WeakPolarHBondContact CA-O 3.3Å; L75-W91 HydrophobicContact CB-CB 4.44Å; L75-W91 PolarHBondContact N-O 3.01Å; L75-W91 PolarHBondContact O-N 3.32Å; D88-W91 HydrophobicContact CB-CH2 4.49Å; D88-W91 HydrophobicContact CB-CZ2 3.79Å; D88-W91 PolarHBondContact O-NE1 2.99Å; W91-V93 HydrophobicContact CB-CG2 4.47Å; W91-F105 HydrophobicContact CD2-CE1 4.16Å; W91-F105 HydrophobicContact CD2-CZ 4.22Å; W91-F105 HydrophobicContact CE3-CE1 4.12Å; W91-F105 AromaticContact CE3-CZ 3.76Å; W91-F105 HydrophobicContact CE3-CZ 3.76Å; W91-F105 HydrophobicContact CH2-CE1 4.47Å; W91-F105 AromaticContact CH2-CZ 3.77Å; W91-F105 HydrophobicContact CH2-CZ 3.77Å; W91-F105 HydrophobicContact CZ2-CE1 4.48Å; W91-F105 HydrophobicContact CZ2-CZ 4.2Å; W91-F105 HydrophobicContact CZ3-CE1 4.3Å; W91-F105 HydrophobicContact CZ3-CE2 4.47Å; W91-F105 AromaticContact CZ3-CZ 3.54Å; W91-F105 HydrophobicContact CZ3-CZ 3.54Å; W91-Y109 HydrophobicContact CH2-CD2 4.02Å; W91-Y109 AromaticContact CH2-CE2 3.62Å; W91-Y109 HydrophobicContact CH2-CE2 3.62Å; W91-Y109 HydrophobicContact CZ2-CD2 4.12Å; W91-Y109 HydrophobicContact CZ2-CE1 4.46Å; W91-Y109 AromaticContact CZ2-CE2 3.64Å; W91-Y109 HydrophobicContact CZ2-CE2 3.64Å; W91-Y109 AromaticContact CZ2-CZ 3.83Å
92E81.3Confident78.5Confident121 Ų12189.9 Ų89.957%0.56547%0.467SS*.EExtended strand (participates in β ladder)trans-96.7122.6167.5-72.5-173.816900109.9K72 I73K72-E92 HydrophobicContact CB-CB 4.37Å; K72-E92 HydrophobicContact CD-CB 4.11Å; K72-E92 WeakPolarHBondContact CD-OE2 3.4Å; K72-E92 IonicContact NZ-OE2 3.96Å; K72-E92 PolarHBondContact NZ-OE2 3.43Å; I73-E92 WeakPolarHBondContact O-CA 3.34Å
93V84.5Confident79Confident15 Ų1583.9 Ų83.99%0.09143%0.433CS..EExtended strand (participates in β ladder)trans-126.8135.3-179.2179.30000109.3K72 I73 L75 W91 R97 W101K72-V93 CarbonylContact C-O 3.56Å; K72-V93 WeakPolarHBondContact CA-O 3.17Å; I73-V93 PolarHBondContact N-O 2.9Å; I73-V93 PolarHBondContact O-N 2.92Å; L75-V93 HydrophobicContact CD1-CB 3.93Å; L75-V93 HydrophobicContact CD1-CG2 3.6Å; L75-V93 HydrophobicContact CG-CB 4.44Å; L75-V93 HydrophobicContact CG-CG2 4.3Å; W91-V93 HydrophobicContact CB-CG2 4.47Å; V93-R97 HydrophobicContact CG1-CB 3.62Å; V93-R97 HydrophobicContact CG1-CG 3.72Å; V93-W101 HydrophobicContact CG1-CE3 4.2Å; V93-W101 HydrophobicContact CG1-CH2 4.39Å; V93-W101 HydrophobicContact CG1-CZ3 3.63Å; V93-W101 HydrophobicContact CG2-CH2 4.49Å; V93-W101 HydrophobicContact CG2-CZ3 4.05Å
94A78.6Confident79.5Confident35 Ų3587.6 Ų87.629%0.28945%0.447SS..EExtended strand (participates in β ladder)trans-61.3140.2177.700000111.3G71 T96 R97G71-A94 WeakPolarHBondContact O-CA 3.35Å; A94-T96 PolarHBondContact O-N 3.1Å; A94-R97 HydrophobicContact CB-CG 4.35Å; A94-R97 WeakPolarHBondContact O-CB 3.21Å; A94-R97 PolarHBondContact O-N 3.3Å
95T75.3Confident80.2Confident70 Ų7087 Ų8743%0.42944%0.437SS..THydrogen-bonded Turntrans-53.7-23.2178.950.40000114G71 I73G71-T95 WeakPolarHBondContact O-CG2 3.11Å; G71-T95 PolarHBondContact O-N 3.3Å; G71-T95 PolarHBondContact O-OG1 3.39Å; I73-T95 HydrophobicContact CD1-CG2 3.88Å; I73-T95 HydrophobicContact CG1-CG2 3.68Å
96T77.4Confident80.8Confident110 Ų11080.9 Ų80.968%0.67541%0.406SS*.THydrogen-bonded Turntrans-81.7-4.7-179.956.10000114.7A94A94-T96 PolarHBondContact O-N 3.1Å
97R81.3Confident81.3Confident138 Ų13883.7 Ų83.752%0.52142%0.415SS..  trans-84.2132.3179.9-64.1-68.1-178.6166-5.1111.1V93 A94 W101V93-R97 HydrophobicContact CG1-CB 3.62Å; V93-R97 HydrophobicContact CG1-CG 3.72Å; A94-R97 HydrophobicContact CB-CG 4.35Å; A94-R97 WeakPolarHBondContact O-CB 3.21Å; A94-R97 PolarHBondContact O-N 3.3Å; R97-W101 HydrophobicContact CB-CD2 4.24Å; R97-W101 HydrophobicContact CB-CE3 3.83Å; R97-W101 HydrophobicContact CB-CZ3 4.44Å; R97-W101 HydrophobicContact CG-CD2 4.26Å; R97-W101 HydrophobicContact CG-CE3 4.08Å; R97-W101 HydrophobicContact CG-CZ3 4.41Å
98T82.9Confident81.8Confident89 Ų8982.7 Ų82.755%0.54641%0.411SS..  trans-75.5158.9179.261.40000112.4A100 W101 L102T98-A100 PolarHBondContact O-N 2.91Å; T98-W101 WeakPolarHBondContact O-CB 3.21Å; T98-W101 PolarHBondContact O-N 2.78Å; T98-W101 VanDerWaalsContact O-N 3.14Å; T98-W101 PolarHBondContact OG1-N 3.35Å; T98-L102 PolarHBondContact O-N 3.41Å; T98-L102 VanDerWaalsContact O-N 3.14Å
99V77.1Confident82.2Confident110 Ų11082.6 Ų82.667%0.66741%0.405SS*.Hα-helixtrans-61.9-32.9172.6-176.30000111.1L102 H103V99-L102 WeakPolarHBondContact O-CB 3.33Å; V99-L102 PolarHBondContact O-N 3.31Å; V99-H103 PolarHBondContact O-N 3.07Å
100A76.3Confident82.4Confident65 Ų6578.3 Ų78.354%0.53739%0.391SS..Hα-helixtrans-61.4-42.3172.800000112.5T98 L102 H103 L104T98-A100 PolarHBondContact O-N 2.91Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.72Å; A100-H103 PolarHBondContact O-N 3.04Å; A100-L104 WeakPolarHBondContact O-CG 3.32Å; A100-L104 PolarHBondContact O-N 3Å
101W87.3Confident82.6Confident82 Ų8282.9 Ų82.931%0.31141%0.405SS..Hα-helixtrans-61.1-41.4172.517787.4000111.6V93 R97 T98 H103 F105V93-W101 HydrophobicContact CG1-CE3 4.2Å; V93-W101 HydrophobicContact CG1-CH2 4.39Å; V93-W101 HydrophobicContact CG1-CZ3 3.63Å; V93-W101 HydrophobicContact CG2-CH2 4.49Å; V93-W101 HydrophobicContact CG2-CZ3 4.05Å; R97-W101 HydrophobicContact CB-CD2 4.24Å; R97-W101 HydrophobicContact CB-CE3 3.83Å; R97-W101 HydrophobicContact CB-CZ3 4.44Å; R97-W101 HydrophobicContact CG-CD2 4.26Å; R97-W101 HydrophobicContact CG-CE3 4.08Å; R97-W101 HydrophobicContact CG-CZ3 4.41Å; T98-W101 WeakPolarHBondContact O-CB 3.21Å; T98-W101 PolarHBondContact O-N 2.78Å; T98-W101 VanDerWaalsContact O-N 3.14Å; T98-W101 PolarHBondContact OG1-N 3.35Å; W101-H103 VanDerWaalsContact C-N 3.35Å; W101-F105 HydrophobicContact CE3-CB 4.45Å; W101-F105 HydrophobicContact CH2-CB 4.22Å; W101-F105 HydrophobicContact CH2-CD1 4.49Å; W101-F105 HydrophobicContact CH2-CD2 4.12Å; W101-F105 AromaticContact CH2-CG 4Å; W101-F105 HydrophobicContact CH2-CG 4Å; W101-F105 HydrophobicContact CZ2-CB 4.32Å; W101-F105 HydrophobicContact CZ2-CD2 4.22Å; W101-F105 HydrophobicContact CZ2-CG 4.35Å; W101-F105 HydrophobicContact CZ3-CB 4.28Å; W101-F105 HydrophobicContact CZ3-CG 4.33Å; W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 2.9Å
102L85.3Confident82.5Confident27 Ų2781.8 Ų81.814%0.14140%0.404CS..Hα-helixtrans-64.1-39.6177.2-174.168.4000111.9L75 T98 V99 A100 F105 I106 L120L75-L102 HydrophobicContact CD1-CD1 3.48Å; L75-L102 VanDerWaalsContact CD1-CD1 3.48Å; L75-L102 HydrophobicContact CD1-CD2 3.82Å; L75-L102 HydrophobicContact CD1-CG 4.3Å; T98-L102 PolarHBondContact O-N 3.41Å; T98-L102 VanDerWaalsContact O-N 3.14Å; V99-L102 WeakPolarHBondContact O-CB 3.33Å; V99-L102 PolarHBondContact O-N 3.31Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.72Å; L102-F105 HydrophobicContact CD1-CD1 4.36Å; L102-F105 PolarHBondContact O-N 3.4Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.45Å; L102-I106 HydrophobicContact CG-CD1 3.89Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 2.68Å; L102-L120 HydrophobicContact CD2-CD1 4.34Å; L102-L120 HydrophobicContact CG-CD1 4.3Å
103H83.7Confident82.5Confident46 Ų4681.2 Ų81.221%0.21340%0.404CS..Hα-helixtrans-61.6-51.3176.8-161.8-70.6000111.8V99 A100 W101 F105 I106 R107 L118 L120V99-H103 PolarHBondContact O-N 3.07Å; A100-H103 PolarHBondContact O-N 3.04Å; W101-H103 VanDerWaalsContact C-N 3.35Å; H103-F105 VanDerWaalsContact C-N 3.34Å; H103-F105 PolarHBondContact O-N 2.92Å; H103-I106 PolarHBondContact O-N 2.75Å; H103-R107 PolarHBondContact CE1-NH1 2.64Å; H103-R107 WeakPolarHBondContact O-CB 3.2Å; H103-R107 PolarHBondContact O-N 3.21Å; H103-L118 PolarHBondContact NE2-O 3.2Å; H103-L120 HydrophobicContact CB-CD1 4.13Å
104L83.9Confident82.2Confident121 Ų12188.2 Ų88.263%0.63444%0.441SS*.Hα-helixtrans-61.9-39.7175.4-68.8172.2000112.4A100 K108A100-L104 WeakPolarHBondContact O-CG 3.32Å; A100-L104 PolarHBondContact O-N 3Å; L104-K108 VanDerWaalsContact O-CB 3.31Å; L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 PolarHBondContact O-N 3.23Å
105F86.9Confident82Confident54 Ų5491.4 Ų91.424%0.23747%0.468CS..Hα-helixtrans-60.7-48.8176.4170.3-101.9000111.7W91 W101 L102 H103 K108 Y109W91-F105 HydrophobicContact CD2-CE1 4.16Å; W91-F105 HydrophobicContact CD2-CZ 4.22Å; W91-F105 HydrophobicContact CE3-CE1 4.12Å; W91-F105 AromaticContact CE3-CZ 3.76Å; W91-F105 HydrophobicContact CE3-CZ 3.76Å; W91-F105 HydrophobicContact CH2-CE1 4.47Å; W91-F105 AromaticContact CH2-CZ 3.77Å; W91-F105 HydrophobicContact CH2-CZ 3.77Å; W91-F105 HydrophobicContact CZ2-CE1 4.48Å; W91-F105 HydrophobicContact CZ2-CZ 4.2Å; W91-F105 HydrophobicContact CZ3-CE1 4.3Å; W91-F105 HydrophobicContact CZ3-CE2 4.47Å; W91-F105 AromaticContact CZ3-CZ 3.54Å; W91-F105 HydrophobicContact CZ3-CZ 3.54Å; W101-F105 HydrophobicContact CE3-CB 4.45Å; W101-F105 HydrophobicContact CH2-CB 4.22Å; W101-F105 HydrophobicContact CH2-CD1 4.49Å; W101-F105 HydrophobicContact CH2-CD2 4.12Å; W101-F105 AromaticContact CH2-CG 4Å; W101-F105 HydrophobicContact CH2-CG 4Å; W101-F105 HydrophobicContact CZ2-CB 4.32Å; W101-F105 HydrophobicContact CZ2-CD2 4.22Å; W101-F105 HydrophobicContact CZ2-CG 4.35Å; W101-F105 HydrophobicContact CZ3-CB 4.28Å; W101-F105 HydrophobicContact CZ3-CG 4.33Å; W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 2.9Å; L102-F105 HydrophobicContact CD1-CD1 4.36Å; L102-F105 PolarHBondContact O-N 3.4Å; H103-F105 VanDerWaalsContact C-N 3.34Å; H103-F105 PolarHBondContact O-N 2.92Å; F105-K108 PolarHBondContact O-N 2.9Å; F105-Y109 WeakPolarHBondContact O-CB 3.39Å; F105-Y109 PolarHBondContact O-N 3.19Å
106I86.6Confident82.2Confident4 Ų492.2 Ų92.22%0.02147%0.467CS..Hα-helixtrans-68.8-42.2-179.9-64.5167.5000110.8L77 L102 H103 K108 Y109 L110 L118 L120L77-I106 HydrophobicContact CD1-CD1 3.55Å; L77-I106 HydrophobicContact CD1-CG1 3.87Å; L77-I106 HydrophobicContact CD2-CD1 3.81Å; L77-I106 HydrophobicContact CG-CD1 4.34Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.45Å; L102-I106 HydrophobicContact CG-CD1 3.89Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 2.68Å; H103-I106 PolarHBondContact O-N 2.75Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.18Å; I106-Y109 PolarHBondContact O-N 2.73Å; I106-L110 HydrophobicContact CG2-CD1 3.78Å; I106-L110 HydrophobicContact CG2-CG 4.2Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.26Å; I106-L110 PolarHBondContact O-N 3Å; I106-L118 HydrophobicContact CB-CD2 3.88Å; I106-L118 HydrophobicContact CG2-CD1 4.27Å; I106-L118 HydrophobicContact CG2-CD2 3.61Å; I106-L120 HydrophobicContact CD1-CD1 3.99Å; I106-L120 HydrophobicContact CD1-CD2 3.62Å; I106-L120 HydrophobicContact CD1-CG 4.48Å
107R84.9Confident82.3Confident76 Ų7691.1 Ų91.129%0.28746%0.464SS..Hα-helixtrans-55.2-47.2173-87.6-172.5149154.2-10.6111.9H103 R111 L112 E116 L118H103-R107 PolarHBondContact CE1-NH1 2.64Å; H103-R107 WeakPolarHBondContact O-CB 3.2Å; H103-R107 PolarHBondContact O-N 3.21Å; R107-R111 WeakPolarHBondContact O-CA 3.42Å; R107-R111 PolarHBondContact O-N 3.37Å; R107-L112 HydrophobicContact CG-CB 4.38Å; R107-L112 HydrophobicContact CG-CD1 4.11Å; R107-L112 PolarHBondContact O-N 3.44Å; R107-L112 VanDerWaalsContact O-N 3.09Å; R107-E116 PolarHBondContact NH2-O 2.74Å; R107-L118 HydrophobicContact CG-CB 4.27Å; R107-L118 HydrophobicContact CG-CD2 3.88Å
108K85Confident82.3Confident179 Ų17986 Ų8678%0.77845%0.446SS*.Hα-helixtrans-67.5-38.4178.2-173.2172.7-178173.80113.1L104 F105 I106 R111L104-K108 VanDerWaalsContact O-CB 3.31Å; L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 PolarHBondContact O-N 3.23Å; F105-K108 PolarHBondContact O-N 2.9Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.18Å; K108-R111 PolarHBondContact O-N 3.35Å
109Y84.7Confident82.1Confident82 Ų8289.2 Ų89.232%0.32245%0.453SS..Hα-helixtrans-66.8-43.3177.5-178-90.7000111.8M86 D88 W91 F105 I106 R111M86-Y109 HydrophobicContact CB-CE1 4.29Å; M86-Y109 HydrophobicContact CG-CD1 4.3Å; M86-Y109 HydrophobicContact CG-CE1 3.98Å; D88-Y109 PolarHBondContact OD2-OH 2.73Å; D88-Y109 VanDerWaalsContact OD2-OH 3.13Å; W91-Y109 HydrophobicContact CH2-CD2 4.02Å; W91-Y109 AromaticContact CH2-CE2 3.62Å; W91-Y109 HydrophobicContact CH2-CE2 3.62Å; W91-Y109 HydrophobicContact CZ2-CD2 4.12Å; W91-Y109 HydrophobicContact CZ2-CE1 4.46Å; W91-Y109 AromaticContact CZ2-CE2 3.64Å; W91-Y109 HydrophobicContact CZ2-CE2 3.64Å; W91-Y109 AromaticContact CZ2-CZ 3.83Å; F105-Y109 WeakPolarHBondContact O-CB 3.39Å; F105-Y109 PolarHBondContact O-N 3.19Å; I106-Y109 PolarHBondContact O-N 2.73Å; Y109-R111 VanDerWaalsContact C-N 3.3Å
110L84.9Confident82.1Confident36 Ų3686.6 Ų86.619%0.18844%0.435CS..Hα-helixtrans-78-11.7177.6-69.3-177.9000114P84 M86 I106 L112P84-L110 HydrophobicContact CB-CD2 4.07Å; M86-L110 HydrophobicContact CG-CD2 3.65Å; M86-L110 HydrophobicContact SD-CD2 4.37Å; I106-L110 HydrophobicContact CG2-CD1 3.78Å; I106-L110 HydrophobicContact CG2-CG 4.2Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.26Å; I106-L110 PolarHBondContact O-N 3Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 HydrophobicContact CB-CD1 4.23Å; L110-L112 HydrophobicContact CB-CD2 4.34Å; L110-L112 HydrophobicContact CB-CG 3.81Å; L110-L112 HydrophobicContact CD1-CD1 4.15Å; L110-L112 PolarHBondContact O-N 3.34Å
111R83.6Confident81.6Confident221 Ų22191.3 Ų91.383%0.83445%0.446SS*.THydrogen-bonded Turntrans56.541.1-173.9-53.6-179.7179.5-176.1-1.5113R107 K108 Y109R107-R111 WeakPolarHBondContact O-CA 3.42Å; R107-R111 PolarHBondContact O-N 3.37Å; K108-R111 PolarHBondContact O-N 3.35Å; Y109-R111 VanDerWaalsContact C-N 3.3Å
112L81.7Confident80.2Confident37 Ų3793 Ų9319%0.19447%0.467CS..  trans-69.8141.4177.7-64.4173.5000110.9R107 L110 E116 L118R107-L112 HydrophobicContact CG-CB 4.38Å; R107-L112 HydrophobicContact CG-CD1 4.11Å; R107-L112 PolarHBondContact O-N 3.44Å; R107-L112 VanDerWaalsContact O-N 3.09Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 HydrophobicContact CB-CD1 4.23Å; L110-L112 HydrophobicContact CB-CD2 4.34Å; L110-L112 HydrophobicContact CB-CG 3.81Å; L110-L112 HydrophobicContact CD1-CD1 4.15Å; L110-L112 PolarHBondContact O-N 3.34Å; L112-E116 WeakPolarHBondContact CA-OE2 3.41Å; L112-E116 HydrophobicContact CB-CB 4.36Å; L112-E116 HydrophobicContact CD2-CB 4.35Å; L112-E116 VanDerWaalsContact CD2-OE2 3.31Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.39Å; L112-L118 HydrophobicContact CD1-CB 3.94Å; L112-L118 HydrophobicContact CD1-CD1 4.21Å; L112-L118 HydrophobicContact CD1-CD2 4.36Å; L112-L118 HydrophobicContact CD1-CG 4.39Å
113N79.9Confident78.3Confident108 Ų10898.7 Ų98.758%0.57850%0.497SS*.  trans-78.1160.6173.3-69.4-42.1000111.2A115 E116N113-A115 PolarHBondContact O-N 3.01Å; N113-A115 VanDerWaalsContact O-N 3.16Å; N113-E116 HydrophobicContact CB-CG 4.3Å; N113-E116 PolarHBondContact N-OE2 3.28Å; N113-E116 WeakPolarHBondContact O-CB 3.49Å; N113-E116 PolarHBondContact O-N 3.48Å
114D78Confident76.2Confident162 Ų162100.2 Ų100.287%0.86652%0.518SS*.THydrogen-bonded Turntrans-61.6-26.7-179.8-63.7-42000113.5E116D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 2.87Å
115A75.9Confident74Confident103 Ų103101.1 Ų101.185%0.85152%0.52SS*.THydrogen-bonded Turntrans-74.9-12.8174.600000114.2N113N113-A115 PolarHBondContact O-N 3.01Å; N113-A115 VanDerWaalsContact O-N 3.16Å
116E78.7Confident71.7Confident86 Ų86101.4 Ų101.440%0.40254%0.539SS..SBendtrans-95.2122.9-175.4-65.9173.2156.300111R107 L112 N113 D114R107-E116 PolarHBondContact NH2-O 2.74Å; L112-E116 WeakPolarHBondContact CA-OE2 3.41Å; L112-E116 HydrophobicContact CB-CB 4.36Å; L112-E116 HydrophobicContact CD2-CB 4.35Å; L112-E116 VanDerWaalsContact CD2-OE2 3.31Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.39Å; N113-E116 HydrophobicContact CB-CG 4.3Å; N113-E116 PolarHBondContact N-OE2 3.28Å; N113-E116 WeakPolarHBondContact O-CB 3.49Å; N113-E116 PolarHBondContact O-N 3.48Å; D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 2.87Å
117S79.7Confident69.5Low88 Ų88105.5 Ų105.562%0.61556%0.56SS**  trans-83.8120.6-178.552.40000111.6F119S117-F119 WeakPolarHBondContact OG-CE2 3.2Å
118L80.9Confident67.5Low29 Ų29109.4 Ų109.415%0.15258%0.575CS.*  trans-103.8113.9172177.268.4000109.5H103 I106 R107 L112 L120H103-L118 PolarHBondContact NE2-O 3.2Å; I106-L118 HydrophobicContact CB-CD2 3.88Å; I106-L118 HydrophobicContact CG2-CD1 4.27Å; I106-L118 HydrophobicContact CG2-CD2 3.61Å; R107-L118 HydrophobicContact CG-CB 4.27Å; R107-L118 HydrophobicContact CG-CD2 3.88Å; L112-L118 HydrophobicContact CD1-CB 3.94Å; L112-L118 HydrophobicContact CD1-CD1 4.21Å; L112-L118 HydrophobicContact CD1-CD2 4.36Å; L112-L118 HydrophobicContact CD1-CG 4.39Å; L118-L120 HydrophobicContact CD1-CD2 4.34Å; L118-L120 HydrophobicContact CD2-CD2 4.25Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD2 4.24Å; L118-L120 HydrophobicContact CG-CG 4.39Å
119F79.7Confident65.6Low158 Ų158106.5 Ų106.569%0.69357%0.572SS**  trans-100.4112.7174-62.7-79.3000110.5S117 H121S117-F119 WeakPolarHBondContact OG-CE2 3.2Å; F119-H121 PolarHBondContact O-N 2.96Å
120L76.5Confident64.7Low54 Ų54104.2 Ų104.228%0.28357%0.569SS.*  trans-92.991.5171.8-63.3-178.6000109L102 H103 I106 L118 P122L102-L120 HydrophobicContact CD2-CD1 4.34Å; L102-L120 HydrophobicContact CG-CD1 4.3Å; H103-L120 HydrophobicContact CB-CD1 4.13Å; I106-L120 HydrophobicContact CD1-CD1 3.99Å; I106-L120 HydrophobicContact CD1-CD2 3.62Å; I106-L120 HydrophobicContact CD1-CG 4.48Å; L118-L120 HydrophobicContact CD1-CD2 4.34Å; L118-L120 HydrophobicContact CD2-CD2 4.25Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD2 4.24Å; L118-L120 HydrophobicContact CG-CG 4.39Å; L120-P122 WeakPolarHBondContact O-CD 3.44Å
121H66.5Low64.5Low165 Ų165109 Ų10976%0.76458%0.584SS**  trans-71.3117.2167-77.6-63.6000109.6F119 L123F119-H121 PolarHBondContact O-N 2.96Å; H121-L123 VanDerWaalsContact C-N 3.28Å; H121-L123 PolarHBondContact O-N 3.15Å
122P57.4Low64.7Low117 Ų11799.8 Ų99.876%0.7655%0.551SS**  trans-65.598.7161.429-32.2000107.2L120 A124L120-P122 WeakPolarHBondContact O-CD 3.44Å; P122-A124 PolarHBondContact O-N 3.13Å
123L44.8Very low65.1Low147 Ų147102 Ų10277%0.7756%0.563SS**  trans-63.875.7148.1-94.6161.9000107H121 M125H121-L123 VanDerWaalsContact C-N 3.28Å; H121-L123 PolarHBondContact O-N 3.15Å; L123-M125 PolarHBondContact O-N 3.1Å
124A40Very low65.8Low78 Ų7898.1 Ų98.165%0.64554%0.541SS*.  trans-55.1100.7151.900000105.2P122 G126P122-A124 PolarHBondContact O-N 3.13Å; A124-G126 PolarHBondContact O-N 3.34Å
125M37Very low66.3Low140 Ų14096.7 Ų96.769%0.6953%0.527SS*.  trans-64.178.7158.2-70.4-150.9-149.900105.9L123 D127 R128L123-M125 PolarHBondContact O-N 3.1Å; M125-D127 CarbonylContact O-C 3.55Å; M125-D127 VanDerWaalsContact O-CA 3.22Å; M125-D127 WeakPolarHBondContact O-CA 3.22Å; M125-D127 PolarHBondContact O-N 3.24Å; M125-R128 PolarHBondContact O-N 2.96Å
126G40Very low66.9Low60 Ų6092.6 Ų92.662%0.61950%0.496SS*.THydrogen-bonded Turntrans-38108.4-153.700000111.3A124 R128A124-G126 PolarHBondContact O-N 3.34Å; G126-R128 VanDerWaalsContact C-N 3.29Å; G126-R128 PolarHBondContact O-N 2.96Å
127D40.8Very low67.4Low89 Ų8990.7 Ų90.748%0.47649%0.488SS..THydrogen-bonded Turntrans-28.986.4-141.5-172.64.8000113.7M125 T129 S130M125-D127 CarbonylContact O-C 3.55Å; M125-D127 VanDerWaalsContact O-CA 3.22Å; M125-D127 WeakPolarHBondContact O-CA 3.22Å; M125-D127 PolarHBondContact O-N 3.24Å; D127-T129 PolarHBondContact O-N 3.18Å; D127-T129 VanDerWaalsContact OD1-C 3.31Å; D127-T129 WeakPolarHBondContact OD1-CA 3.39Å; D127-T129 VanDerWaalsContact OD1-CB 3.31Å; D127-T129 WeakPolarHBondContact OD1-CB 3.48Å; D127-T129 PolarHBondContact OD1-N 2.9Å; D127-T129 PolarHBondContact OD1-OG1 2.67Å; D127-S130 VanDerWaalsContact O-CB 3.27Å; D127-S130 WeakPolarHBondContact O-CB 3.38Å; D127-S130 PolarHBondContact O-N 3.27Å; D127-S130 PolarHBondContact O-OG 3.09Å; D127-S130 PolarHBondContact OD1-N 3.17Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-N 3.41Å
128R40.9Very low67.8Low159 Ų15991.4 Ų91.460%0.649%0.485SS*.THydrogen-bonded Turntrans-67.8-13.7177.6-77-172.4172.5-170.8-2112.2M125 G126M125-R128 PolarHBondContact O-N 2.96Å; G126-R128 VanDerWaalsContact C-N 3.29Å; G126-R128 PolarHBondContact O-N 2.96Å
129T46.2Very low68.3Low117 Ų11792.1 Ų92.172%0.71849%0.487SS*.THydrogen-bonded Turntrans-86.8-10.7170.627.80000113.3D127 R131D127-T129 PolarHBondContact O-N 3.18Å; D127-T129 VanDerWaalsContact OD1-C 3.31Å; D127-T129 WeakPolarHBondContact OD1-CA 3.39Å; D127-T129 VanDerWaalsContact OD1-CB 3.31Å; D127-T129 WeakPolarHBondContact OD1-CB 3.48Å; D127-T129 PolarHBondContact OD1-N 2.9Å; D127-T129 PolarHBondContact OD1-OG1 2.67Å; T129-R131 PolarHBondContact O-N 2.95Å; T129-R131 VanDerWaalsContact O-N 3.14Å
130S65Low69Low35 Ų3584.9 Ų84.925%0.24546%0.455CS..PPolyproline II helixtrans-62.5117.4171.762.80000109.4D127 R152D127-S130 VanDerWaalsContact O-CB 3.27Å; D127-S130 WeakPolarHBondContact O-CB 3.38Å; D127-S130 PolarHBondContact O-N 3.27Å; D127-S130 PolarHBondContact O-OG 3.09Å; D127-S130 PolarHBondContact OD1-N 3.17Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-N 3.41Å; S130-R152 PolarHBondContact O-NH2 3.42Å; S130-R152 PolarHBondContact OG-NH2 3.06Å
131R80.9Confident69.8Low135 Ų13583.7 Ų83.751%0.50945%0.447SS..PPolyproline II helixtrans-63.2144.7171.168.5179.9-160.2-131.5-8109.4T129 D133 P153T129-R131 PolarHBondContact O-N 2.95Å; T129-R131 VanDerWaalsContact O-N 3.14Å; R131-D133 VanDerWaalsContact CD-OD1 3.29Å; R131-D133 WeakPolarHBondContact CD-OD1 3.43Å; R131-D133 WeakPolarHBondContact CG-OD1 3.39Å; R131-D133 IonicContact CZ-OD1 2.78Å; R131-D133 IonicContact CZ-OD2 3.45Å; R131-D133 IonicContact NE-OD1 3.7Å; R131-D133 PolarHBondContact NE-OD1 2.76Å; R131-D133 IonicContact NE-OD2 3.32Å; R131-D133 PolarHBondContact NE-OD2 3.44Å; R131-D133 IonicContact NH2-OD2 3.45Å; R131-D133 PolarHBondContact NH2-OD2 2.77Å; R131-P153 CarbonylContact C-O 3.6Å; R131-P153 VanDerWaalsContact CA-O 3.28Å; R131-P153 WeakPolarHBondContact CA-O 3.38Å; R131-P153 HydrophobicContact CB-CB 4.22Å
132L89.2Confident71.1Confident29 Ų2975.8 Ų75.815%0.15241%0.411CS..EExtended strand (participates in β ladder)trans-98.5119.1168.2-67.9171.1000109.2F134 P153 I154 R155 F459L132-F134 HydrophobicContact CB-CD2 4.25Å; L132-F134 HydrophobicContact CB-CE2 3.49Å; L132-F134 VanDerWaalsContact CB-CE2 3.49Å; L132-F134 HydrophobicContact CB-CZ 3.91Å; L132-F134 HydrophobicContact CD1-CE2 4.26Å; L132-F134 HydrophobicContact CD1-CZ 4.15Å; L132-F134 HydrophobicContact CG-CE2 4.5Å; L132-P153 PolarHBondContact N-O 2.93Å; L132-I154 HydrophobicContact CB-CG2 4.22Å; L132-I154 CarbonylContact O-C 3.6Å; L132-I154 VanDerWaalsContact O-CA 3.23Å; L132-I154 WeakPolarHBondContact O-CA 3.05Å; L132-R155 PolarHBondContact O-N 2.62Å; L132-F459 HydrophobicContact CD1-CD1 3.67Å; L132-F459 HydrophobicContact CD1-CD2 4.08Å; L132-F459 HydrophobicContact CD1-CE1 3.83Å; L132-F459 HydrophobicContact CD1-CE2 4.24Å; L132-F459 HydrophobicContact CD1-CG 3.83Å; L132-F459 HydrophobicContact CD1-CZ 4.13Å
133D89.4Confident73Confident83 Ų8371.2 Ų71.244%0.44438%0.378SS..EExtended strand (participates in β ladder)trans-94.1124179-65.8-15.4000109R131 R155R131-D133 VanDerWaalsContact CD-OD1 3.29Å; R131-D133 WeakPolarHBondContact CD-OD1 3.43Å; R131-D133 WeakPolarHBondContact CG-OD1 3.39Å; R131-D133 IonicContact CZ-OD1 2.78Å; R131-D133 IonicContact CZ-OD2 3.45Å; R131-D133 IonicContact NE-OD1 3.7Å; R131-D133 PolarHBondContact NE-OD1 2.76Å; R131-D133 IonicContact NE-OD2 3.32Å; R131-D133 PolarHBondContact NE-OD2 3.44Å; R131-D133 IonicContact NH2-OD2 3.45Å; R131-D133 PolarHBondContact NH2-OD2 2.77Å; D133-R155 WeakPolarHBondContact CA-O 3.29Å; D133-R155 VanDerWaalsContact OD1-CB 3.24Å; D133-R155 WeakPolarHBondContact OD1-CB 3.27Å
134F93.4Very high75.4Confident27 Ų2764.2 Ų64.212%0.11834%0.341CS..EExtended strand (participates in β ladder)trans-126.4161.5179.8-63.5-78000111L132 I154 R155 I156 S157 H455 F459L132-F134 HydrophobicContact CB-CD2 4.25Å; L132-F134 HydrophobicContact CB-CE2 3.49Å; L132-F134 VanDerWaalsContact CB-CE2 3.49Å; L132-F134 HydrophobicContact CB-CZ 3.91Å; L132-F134 HydrophobicContact CD1-CE2 4.26Å; L132-F134 HydrophobicContact CD1-CZ 4.15Å; L132-F134 HydrophobicContact CG-CE2 4.5Å; F134-I154 HydrophobicContact CE2-CG2 4.19Å; F134-R155 PolarHBondContact N-O 2.94Å; F134-I156 HydrophobicContact CB-CG1 4.44Å; F134-I156 CarbonylContact O-C 3.43Å; F134-I156 VanDerWaalsContact O-CA 3.31Å; F134-I156 WeakPolarHBondContact O-CA 3.38Å; F134-S157 PolarHBondContact O-N 2.86Å; F134-H455 AromaticContact CD1-CE1 3.97Å; F134-H455 AromaticContact CE1-CE1 3.59Å; F134-H455 AromaticContact CE1-ND1 3.77Å; F134-F459 HydrophobicContact CE1-CE2 4.45Å; F134-F459 HydrophobicContact CE2-CE1 4.44Å; F134-F459 AromaticContact CE2-CE2 3.64Å; F134-F459 HydrophobicContact CE2-CE2 3.64Å; F134-F459 AromaticContact CE2-CZ 3.48Å; F134-F459 HydrophobicContact CE2-CZ 3.48Å; F134-F459 VanDerWaalsContact CE2-CZ 3.48Å; F134-F459 HydrophobicContact CZ-CD2 4.21Å; F134-F459 AromaticContact CZ-CE2 3.38Å; F134-F459 HydrophobicContact CZ-CE2 3.38Å; F134-F459 AromaticContact CZ-CZ 3.76Å; F134-F459 HydrophobicContact CZ-CZ 3.76Å
135K89.4Confident78.1Confident131 Ų13160.5 Ų60.557%0.5731%0.311SS*.EExtended strand (participates in β ladder)trans-115.2150174.2-62.5-174.1172.3-151.30112.2R143 S157 E158K135-R143 PolarHBondContact O-NH1 2.58Å; K135-R143 VanDerWaalsContact O-NH1 3.1Å; K135-R143 PolarHBondContact O-NH2 2.92Å; K135-S157 CarbonylContact C-O 3.57Å; K135-S157 WeakPolarHBondContact CA-O 3.31Å; K135-E158 WeakPolarHBondContact CD-OE1 3.32Å; K135-E158 WeakPolarHBondContact CE-OE1 3.49Å; K135-E158 IonicContact NZ-OE1 3.9Å; K135-E158 PolarHBondContact NZ-OE1 2.98Å; K135-E158 IonicContact NZ-OE2 2.75Å
136G88.3Confident80.9Confident18 Ų1853.8 Ų53.819%0.18628%0.278CS..SBendtrans70.4162.7173.600000115.4R143 I156 S157G136-R143 PolarHBondContact O-NH1 3.38Å; G136-I156 VanDerWaalsContact O-CG2 3.24Å; G136-I156 WeakPolarHBondContact O-CG2 3.48Å; G136-S157 PolarHBondContact N-O 3.17Å
137N88.8Confident83.5Confident45 Ų4551 Ų5124%0.24125%0.248CC..SBendtrans-78.7-13.7-177.769.2-67.2000114.3M140 I159 R160N137-M140 WeakPolarHBondContact O-CB 3.33Å; N137-M140 PolarHBondContact O-N 3.06Å; N137-I159 HydrophobicContact CB-CG2 4.08Å; N137-R160 PolarHBondContact ND2-NH2 2.99Å
138N89.5Confident86.1Confident103 Ų10346.9 Ų46.955%0.55123%0.227SC*.THydrogen-bonded Turntrans-60.7139.6-178.5-71.6-16.9000111.4M140 R143N138-M140 PolarHBondContact O-N 2.56Å; N138-M140 VanDerWaalsContact O-N 3.16Å; N138-R143 PolarHBondContact O-NE 3.49Å; N138-R143 PolarHBondContact O-NH1 2.93Å; N138-R143 PolarHBondContact O-NH2 3.39Å
139F91.8Very high88.6Confident45 Ų4540.9 Ų40.920%0.19721%0.206CC..THydrogen-bonded Turntrans5917-178-44.2-79000115.5R141 I142 R143 Y448 Y451F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.41Å; F139-I142 HydrophobicContact CB-CB 4.49Å; F139-I142 HydrophobicContact CB-CD1 4.25Å; F139-I142 HydrophobicContact CD1-CD1 4Å; F139-I142 WeakPolarHBondContact O-CB 3.39Å; F139-I142 PolarHBondContact O-N 3.24Å; F139-R143 PolarHBondContact O-N 2.92Å; F139-Y448 AromaticContact CD1-CD2 3.81Å; F139-Y448 HydrophobicContact CD1-CD2 3.81Å; F139-Y448 AromaticContact CD1-CE2 3.82Å; F139-Y448 HydrophobicContact CD1-CE2 3.82Å; F139-Y448 AromaticContact CE1-CD2 3.67Å; F139-Y448 HydrophobicContact CE1-CD2 3.67Å; F139-Y448 HydrophobicContact CE1-CE2 4.16Å; F139-Y451 HydrophobicContact CD2-CG 4.41Å; F139-Y451 AromaticContact CE1-CD2 3.89Å; F139-Y451 HydrophobicContact CE1-CD2 3.89Å; F139-Y451 AromaticContact CE1-CG 3.91Å; F139-Y451 HydrophobicContact CE1-CG 3.91Å; F139-Y451 AromaticContact CE2-CD1 3.88Å; F139-Y451 HydrophobicContact CE2-CD1 3.88Å; F139-Y451 AromaticContact CE2-CD2 3.89Å; F139-Y451 HydrophobicContact CE2-CD2 3.89Å; F139-Y451 HydrophobicContact CE2-CE1 4.31Å; F139-Y451 HydrophobicContact CE2-CE2 4.33Å; F139-Y451 AromaticContact CE2-CG 3.65Å; F139-Y451 HydrophobicContact CE2-CG 3.65Å; F139-Y451 HydrophobicContact CZ-CD1 4.08Å; F139-Y451 AromaticContact CZ-CD2 3.25Å; F139-Y451 HydrophobicContact CZ-CD2 3.25Å; F139-Y451 AromaticContact CZ-CE2 3.87Å; F139-Y451 HydrophobicContact CZ-CE2 3.87Å; F139-Y451 AromaticContact CZ-CG 3.38Å; F139-Y451 HydrophobicContact CZ-CG 3.38Å
140M93.3Very high90.8Very high5 Ų536 Ų363%0.02518%0.177CC..Hα-helixtrans-53.7-41.4-177.4-172.5172.998.800113.4N137 N138 I142 R143 L144 I156 E172 L197N137-M140 WeakPolarHBondContact O-CB 3.33Å; N137-M140 PolarHBondContact O-N 3.06Å; N138-M140 PolarHBondContact O-N 2.56Å; N138-M140 VanDerWaalsContact O-N 3.16Å; M140-I142 VanDerWaalsContact C-N 3.35Å; M140-I142 PolarHBondContact O-N 3.18Å; M140-R143 PolarHBondContact O-N 2.87Å; M140-L144 HydrophobicContact CE-CD1 4.01Å; M140-L144 HydrophobicContact CG-CD1 3.95Å; M140-L144 HydrophobicContact CG-CG 4.28Å; M140-L144 WeakPolarHBondContact O-CG 3.41Å; M140-L144 PolarHBondContact O-N 3.48Å; M140-I156 HydrophobicContact CB-CD1 4.5Å; M140-I156 HydrophobicContact CG-CD1 3.8Å; M140-I156 HydrophobicContact SD-CD1 4.37Å; M140-E172 HydrophobicContact CE-CB 3.64Å; M140-E172 HydrophobicContact CE-CG 3.91Å; M140-L197 HydrophobicContact CE-CD2 4.43Å; M140-L197 HydrophobicContact SD-CD2 3.83Å
141R93.8Very high92Very high29 Ų2941.7 Ų41.711%0.10919%0.193CC..Hα-helixtrans-54.5-47.4175.3-65.7-170.1-72.2159.915.3112.8F139 L144 V145 Y221 E224 L225 Y448F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.41Å; R141-L144 PolarHBondContact O-N 2.81Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.41Å; R141-V145 PolarHBondContact O-N 2.91Å; R141-Y221 VanDerWaalsContact CD-CZ 3.44Å; R141-Y221 HydrophobicContact CG-CE1 4.47Å; R141-Y221 HydrophobicContact CG-CE2 4.11Å; R141-Y221 VanDerWaalsContact NE-CE2 3.32Å; R141-Y221 PolarHBondContact NH1-O 2.93Å; R141-E224 IonicContact CZ-OE1 3.87Å; R141-E224 IonicContact CZ-OE2 2.76Å; R141-E224 VanDerWaalsContact NH1-CD 3.31Å; R141-E224 IonicContact NH1-OE1 2.59Å; R141-E224 IonicContact NH1-OE2 3.75Å; R141-E224 PolarHBondContact NH1-OE2 3.36Å; R141-E224 VanDerWaalsContact NH2-CD 3.33Å; R141-E224 IonicContact NH2-OE1 2.76Å; R141-E224 PolarHBondContact NH2-OE1 3.02Å; R141-E224 IonicContact NH2-OE2 2.74Å; R141-E224 PolarHBondContact NH2-OE2 2.65Å; R141-L225 HydrophobicContact CB-CD1 4.07Å; R141-L225 HydrophobicContact CG-CD1 3.91Å; R141-Y448 PolarHBondContact NH2-OH 3.03Å
142I94.1Very high92.4Very high0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-64.1-46.8177.8-69.5159.7000110.4F139 M140 L144 V145 L146 Y448 F452 H455F139-I142 HydrophobicContact CB-CB 4.49Å; F139-I142 HydrophobicContact CB-CD1 4.25Å; F139-I142 HydrophobicContact CD1-CD1 4Å; F139-I142 WeakPolarHBondContact O-CB 3.39Å; F139-I142 PolarHBondContact O-N 3.24Å; M140-I142 VanDerWaalsContact C-N 3.35Å; M140-I142 PolarHBondContact O-N 3.18Å; I142-L144 VanDerWaalsContact C-N 3.31Å; I142-L144 PolarHBondContact O-N 2.93Å; I142-V145 PolarHBondContact O-N 2.93Å; I142-L146 HydrophobicContact CG2-CD1 3.66Å; I142-L146 HydrophobicContact CG2-CG 4.14Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.4Å; I142-L146 PolarHBondContact O-N 2.9Å; I142-Y448 HydrophobicContact CD1-CD1 4.36Å; I142-Y448 HydrophobicContact CD1-CD2 4.32Å; I142-Y448 HydrophobicContact CD1-CE1 3.74Å; I142-Y448 HydrophobicContact CD1-CE2 3.67Å; I142-Y448 HydrophobicContact CG1-CE1 4.48Å; I142-F452 HydrophobicContact CB-CD2 4.19Å; I142-F452 HydrophobicContact CB-CE2 4.33Å; I142-F452 HydrophobicContact CD1-CD2 3.7Å; I142-F452 HydrophobicContact CD1-CE2 4.44Å; I142-F452 HydrophobicContact CG1-CD2 3.66Å; I142-F452 HydrophobicContact CG1-CE2 3.91Å; I142-F452 HydrophobicContact CG2-CD2 3.46Å; I142-F452 VanDerWaalsContact CG2-CD2 3.46Å; I142-F452 HydrophobicContact CG2-CE2 3.64Å; I142-H455 HydrophobicContact CG2-CB 4.31Å
143R95.9Very high92.5Very high20 Ų2036.8 Ų36.88%0.07518%0.175CC..Hα-helixtrans-59.8-41.5-179.8-64.7172.9-175.3172.5-2.7111.5K135 G136 N138 F139 M140 S147 I154 H455 F459K135-R143 PolarHBondContact O-NH1 2.58Å; K135-R143 VanDerWaalsContact O-NH1 3.1Å; K135-R143 PolarHBondContact O-NH2 2.92Å; G136-R143 PolarHBondContact O-NH1 3.38Å; N138-R143 PolarHBondContact O-NE 3.49Å; N138-R143 PolarHBondContact O-NH1 2.93Å; N138-R143 PolarHBondContact O-NH2 3.39Å; F139-R143 PolarHBondContact O-N 2.92Å; M140-R143 PolarHBondContact O-N 2.87Å; R143-S147 WeakPolarHBondContact O-CB 3.24Å; R143-S147 PolarHBondContact O-N 3.44Å; R143-I154 HydrophobicContact CB-CD1 4.05Å; R143-H455 PolarHBondContact NE-NE2 2.95Å; R143-F459 HydrophobicContact CB-CE2 4.44Å; R143-F459 HydrophobicContact CB-CZ 4.07Å; R143-F459 HydrophobicContact CG-CE2 4.41Å; R143-F459 HydrophobicContact CG-CZ 4.47Å; R143-F459 WeakPolarHBondContact O-CE1 3.14Å; R143-F459 WeakPolarHBondContact O-CZ 3.37Å
144L96.2Very high92.8Very high0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-65.5-45.1175-69.9169.3000112.3M140 R141 I142 S147 L148 I154 T175 L176 I179 F199M140-L144 HydrophobicContact CE-CD1 4.01Å; M140-L144 HydrophobicContact CG-CD1 3.95Å; M140-L144 HydrophobicContact CG-CG 4.28Å; M140-L144 WeakPolarHBondContact O-CG 3.41Å; M140-L144 PolarHBondContact O-N 3.48Å; R141-L144 PolarHBondContact O-N 2.81Å; I142-L144 VanDerWaalsContact C-N 3.31Å; I142-L144 PolarHBondContact O-N 2.93Å; L144-S147 WeakPolarHBondContact O-CB 3.22Å; L144-S147 PolarHBondContact O-N 3.33Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.24Å; L144-I154 HydrophobicContact CD2-CD1 4.17Å; L144-T175 HydrophobicContact CD1-CG2 4.45Å; L144-L176 HydrophobicContact CD1-CD2 3.82Å; L144-L176 HydrophobicContact CD2-CD2 3.84Å; L144-I179 HydrophobicContact CB-CD1 3.84Å; L144-I179 HydrophobicContact CD1-CD1 3.83Å; L144-I179 HydrophobicContact CD2-CD1 4.47Å; L144-I179 HydrophobicContact CG-CD1 4.26Å; L144-F199 HydrophobicContact CD2-CB 4.04Å; L144-F199 HydrophobicContact CD2-CD1 3.49Å; L144-F199 VanDerWaalsContact CD2-CD1 3.49Å; L144-F199 HydrophobicContact CD2-CD2 4.14Å; L144-F199 HydrophobicContact CD2-CE1 3.91Å; L144-F199 HydrophobicContact CD2-CG 3.6Å; L144-F199 HydrophobicContact CD2-CZ 4.4Å
145V96.5Very high92.8Very high0 Ų035.6 Ų35.60%016%0.163CC..Hα-helixtrans-62.3-46.9177.3164.40000111.5R141 I142 L148 L149 L225 Y228 L229 L428R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.41Å; R141-V145 PolarHBondContact O-N 2.91Å; I142-V145 PolarHBondContact O-N 2.93Å; V145-L148 WeakPolarHBondContact O-CB 3.43Å; V145-L148 PolarHBondContact O-N 3.43Å; V145-L149 HydrophobicContact CG1-CD1 3.82Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.22Å; V145-L149 PolarHBondContact O-N 2.89Å; V145-L225 HydrophobicContact CG2-CB 4.14Å; V145-L225 HydrophobicContact CG2-CD2 4.07Å; V145-L225 HydrophobicContact CG2-CG 3.8Å; V145-Y228 HydrophobicContact CB-CD2 4.48Å; V145-Y228 HydrophobicContact CG1-CD2 3.97Å; V145-Y228 HydrophobicContact CG1-CG 4.16Å; V145-Y228 HydrophobicContact CG2-CD2 4.11Å; V145-L229 HydrophobicContact CB-CD2 4.48Å; V145-L229 HydrophobicContact CG1-CD2 4.04Å; V145-L229 HydrophobicContact CG1-CG 4.43Å; V145-L229 HydrophobicContact CG2-CD1 4.23Å; V145-L229 HydrophobicContact CG2-CD2 4.47Å; V145-L229 HydrophobicContact CG2-CG 4.25Å; V145-L428 HydrophobicContact CG1-CD2 4.34Å
146L95.7Very high93Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-69.9-32.2178.1-65.5178.8000112.4I142 L149 S150 L428 H455 L456 F459I142-L146 HydrophobicContact CG2-CD1 3.66Å; I142-L146 HydrophobicContact CG2-CG 4.14Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.4Å; I142-L146 PolarHBondContact O-N 2.9Å; L146-L149 PolarHBondContact O-N 3.32Å; L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 2.91Å; L146-S150 PolarHBondContact O-OG 3.08Å; L146-L428 HydrophobicContact CD2-CD1 3.82Å; L146-H455 HydrophobicContact CD1-CB 3.66Å; L146-L456 HydrophobicContact CD1-CD2 4.48Å; L146-L456 HydrophobicContact CD2-CD2 3.63Å; L146-L456 HydrophobicContact CD2-CG 4.47Å; L146-F459 HydrophobicContact CB-CB 3.92Å; L146-F459 HydrophobicContact CB-CD1 3.74Å; L146-F459 HydrophobicContact CB-CD2 3.81Å; L146-F459 HydrophobicContact CB-CE1 4.11Å; L146-F459 HydrophobicContact CB-CE2 4.17Å; L146-F459 HydrophobicContact CB-CG 3.56Å; L146-F459 HydrophobicContact CB-CZ 4.3Å; L146-F459 HydrophobicContact CD1-CB 4.47Å; L146-F459 HydrophobicContact CD1-CD2 3.92Å; L146-F459 HydrophobicContact CD1-CE2 4.43Å; L146-F459 HydrophobicContact CD1-CG 4.32Å
147S95.1Very high93.2Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-58.4-48.5169.8175.30000111.2R143 L144 L149 S150 R151 R152 F199 P201R143-S147 WeakPolarHBondContact O-CB 3.24Å; R143-S147 PolarHBondContact O-N 3.44Å; L144-S147 WeakPolarHBondContact O-CB 3.22Å; L144-S147 PolarHBondContact O-N 3.33Å; S147-L149 PolarHBondContact O-N 2.98Å; S147-S150 PolarHBondContact O-OG 3.18Å; S147-R151 VanDerWaalsContact O-CA 3.22Å; S147-R151 WeakPolarHBondContact O-CA 3.46Å; S147-R151 PolarHBondContact O-N 2.98Å; S147-R152 PolarHBondContact O-N 3.14Å; S147-R152 PolarHBondContact OG-O 2.73Å; S147-F199 WeakPolarHBondContact OG-CD1 3.34Å; S147-P201 WeakPolarHBondContact O-CB 3.5Å; S147-P201 WeakPolarHBondContact O-CG 3.46Å
148L95.1Very high93.2Very high4 Ų431.8 Ų31.82%0.02114%0.144CC..Hα-helixtrans-60.5-45.6176.7-72.3165.3000112.7L144 V145 I179 T183 F199 P201 L229L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.24Å; V145-L148 WeakPolarHBondContact O-CB 3.43Å; V145-L148 PolarHBondContact O-N 3.43Å; L148-I179 HydrophobicContact CD1-CG1 4.29Å; L148-I179 HydrophobicContact CD1-CG2 3.82Å; L148-I179 HydrophobicContact CD2-CG2 4.29Å; L148-T183 HydrophobicContact CD2-CG2 3.72Å; L148-F199 HydrophobicContact CD2-CE1 4.25Å; L148-F199 HydrophobicContact CD2-CZ 3.86Å; L148-F199 HydrophobicContact CG-CE1 4.08Å; L148-F199 HydrophobicContact CG-CZ 4.05Å; L148-P201 HydrophobicContact CD2-CB 3.93Å; L148-P201 HydrophobicContact CG-CB 4.45Å; L148-L229 HydrophobicContact CB-CD2 4.06Å; L148-L229 HydrophobicContact CD1-CD1 3.62Å; L148-L229 HydrophobicContact CD1-CD2 4.12Å
149L93.6Very high93.2Very high32 Ų3226.9 Ų26.917%0.16812%0.118CC..Hα-helixtrans-74.6-36.9-176-64.6170.1000112.9V145 L146 S147 L204 L229 F232 L428 L432V145-L149 HydrophobicContact CG1-CD1 3.82Å; V145-L149 VanDerWaalsContact O-CG 3.29Å; V145-L149 WeakPolarHBondContact O-CG 3.22Å; V145-L149 PolarHBondContact O-N 2.89Å; L146-L149 PolarHBondContact O-N 3.32Å; S147-L149 PolarHBondContact O-N 2.98Å; L149-L204 HydrophobicContact CD2-CD1 3.96Å; L149-L229 HydrophobicContact CD1-CD2 4.18Å; L149-L229 HydrophobicContact CD2-CD2 3.96Å; L149-L229 HydrophobicContact CG-CD2 3.86Å; L149-F232 HydrophobicContact CD1-CE2 4.39Å; L149-F232 HydrophobicContact CD2-CB 3.91Å; L149-F232 HydrophobicContact CD2-CD1 4.29Å; L149-F232 HydrophobicContact CD2-CD2 3.33Å; L149-F232 HydrophobicContact CD2-CE2 3.86Å; L149-F232 HydrophobicContact CD2-CG 3.57Å; L149-L428 HydrophobicContact CD1-CD1 3.94Å; L149-L428 HydrophobicContact CD1-CD2 4.06Å; L149-L428 HydrophobicContact CD1-CG 4.45Å; L149-L432 HydrophobicContact CB-CD1 4.39Å; L149-L432 HydrophobicContact CD1-CD1 3.85Å; L149-L432 HydrophobicContact CD2-CD1 4.48Å; L149-L432 HydrophobicContact CG-CD1 4.47Å
150S90.8Very high93.2Very high14 Ų1426.6 Ų26.610%0.09812%0.116CC..Hα-helixtrans-80.4-18.1174.866.50000113.8L146 S147 R152L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 2.91Å; L146-S150 PolarHBondContact O-OG 3.08Å; S147-S150 PolarHBondContact O-OG 3.18Å; S150-R152 VanDerWaalsContact C-N 3.28Å; S150-R152 PolarHBondContact O-N 3.13Å; S150-R152 PolarHBondContact OG-N 3.32Å
151R90.2Very high92.5Very high155 Ų15529.8 Ų29.859%0.58514%0.138SC*.THydrogen-bonded Turntrans53.738-166.8-68.1-165.6-97.3153.8-8.6114S147S147-R151 VanDerWaalsContact O-CA 3.22Å; S147-R151 WeakPolarHBondContact O-CA 3.46Å; S147-R151 PolarHBondContact O-N 2.98Å
152R89.5Confident92Very high42 Ų4233.7 Ų33.716%0.15817%0.17CC..  trans-103.9129173.7-63.6-175.970.3-171.70.4111.2S130 S147 S150 D458S130-R152 PolarHBondContact O-NH2 3.42Å; S130-R152 PolarHBondContact OG-NH2 3.06Å; S147-R152 PolarHBondContact O-N 3.14Å; S147-R152 PolarHBondContact OG-O 2.73Å; S150-R152 VanDerWaalsContact C-N 3.28Å; S150-R152 PolarHBondContact O-N 3.13Å; S150-R152 PolarHBondContact OG-N 3.32Å; R152-D458 PolarHBondContact NH1-O 3.02Å
153P92.7Very high91.3Very high20 Ų2036.3 Ų36.313%0.1319%0.188CC..  trans-60.4152.9172.2-19.732.2000111.8R131 L132 F198 F199R131-P153 CarbonylContact C-O 3.6Å; R131-P153 VanDerWaalsContact CA-O 3.28Å; R131-P153 WeakPolarHBondContact CA-O 3.38Å; R131-P153 HydrophobicContact CB-CB 4.22Å; L132-P153 PolarHBondContact N-O 2.93Å; P153-F198 HydrophobicContact CB-CE2 4.09Å; P153-F198 HydrophobicContact CB-CZ 4.19Å; P153-F199 CarbonylContact C-O 3.57Å; P153-F199 WeakPolarHBondContact CA-O 3.36Å
154I94.8Very high90.6Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-132.4149.2174.468176.6000111.3L132 F134 R143 L144 I156 F198 F199 F459L132-I154 HydrophobicContact CB-CG2 4.22Å; L132-I154 CarbonylContact O-C 3.6Å; L132-I154 VanDerWaalsContact O-CA 3.23Å; L132-I154 WeakPolarHBondContact O-CA 3.05Å; F134-I154 HydrophobicContact CE2-CG2 4.19Å; R143-I154 HydrophobicContact CB-CD1 4.05Å; L144-I154 HydrophobicContact CD2-CD1 4.17Å; I154-I156 HydrophobicContact CD1-CD1 4.14Å; I154-I156 HydrophobicContact CD1-CG1 4.33Å; I154-F198 WeakPolarHBondContact O-CA 3.2Å; I154-F198 WeakPolarHBondContact O-CD2 3.19Å; I154-F199 HydrophobicContact CD1-CB 4.47Å; I154-F199 HydrophobicContact CD1-CD1 4.37Å; I154-F199 HydrophobicContact CG1-CB 3.87Å; I154-F199 HydrophobicContact CG1-CD1 4.22Å; I154-F199 PolarHBondContact N-O 3.13Å; I154-F199 PolarHBondContact O-N 2.74Å; I154-F459 HydrophobicContact CG2-CE1 3.5Å; I154-F459 HydrophobicContact CG2-CZ 3.74Å
155R93.4Very high89.8Confident84 Ų8447.8 Ų47.832%0.31725%0.253SS..EExtended strand (participates in β ladder)trans-116.6136.1162.9-169.3-178176.7-163.81.2107.9L132 D133 F134 E196 L197L132-R155 PolarHBondContact O-N 2.62Å; D133-R155 WeakPolarHBondContact CA-O 3.29Å; D133-R155 VanDerWaalsContact OD1-CB 3.24Å; D133-R155 WeakPolarHBondContact OD1-CB 3.27Å; F134-R155 PolarHBondContact N-O 2.94Å; R155-E196 IonicContact CZ-OE1 3.38Å; R155-E196 IonicContact CZ-OE2 3.22Å; R155-E196 VanDerWaalsContact CZ-OE2 3.27Å; R155-E196 IonicContact NE-OE2 3.73Å; R155-E196 PolarHBondContact NE-OE2 2.98Å; R155-E196 IonicContact NH2-OE1 3.54Å; R155-E196 PolarHBondContact NH2-OE1 3.26Å; R155-E196 IonicContact NH2-OE2 2.77Å; R155-E196 PolarHBondContact NH2-OE2 2.99Å; R155-L197 CarbonylContact C-O 3.49Å; R155-L197 WeakPolarHBondContact CA-O 3.41Å
156I94.9Very high89.2Confident0 Ų051.3 Ų51.30%028%0.275CS..EExtended strand (participates in β ladder)trans-120.5115171.5-53.7-177.8000107F134 G136 M140 I154 I159 E196 L197F134-I156 HydrophobicContact CB-CG1 4.44Å; F134-I156 CarbonylContact O-C 3.43Å; F134-I156 VanDerWaalsContact O-CA 3.31Å; F134-I156 WeakPolarHBondContact O-CA 3.38Å; G136-I156 VanDerWaalsContact O-CG2 3.24Å; G136-I156 WeakPolarHBondContact O-CG2 3.48Å; M140-I156 HydrophobicContact CB-CD1 4.5Å; M140-I156 HydrophobicContact CG-CD1 3.8Å; M140-I156 HydrophobicContact SD-CD1 4.37Å; I154-I156 HydrophobicContact CD1-CD1 4.14Å; I154-I156 HydrophobicContact CD1-CG1 4.33Å; I156-I159 HydrophobicContact CB-CD1 4.26Å; I156-I159 HydrophobicContact CG2-CD1 4.03Å; I156-I159 HydrophobicContact CG2-CG1 3.81Å; I156-E196 CarbonylContact O-C 3.58Å; I156-E196 VanDerWaalsContact O-CA 3.3Å; I156-E196 WeakPolarHBondContact O-CA 3.38Å; I156-L197 HydrophobicContact CB-CB 4.49Å; I156-L197 HydrophobicContact CD1-CD2 4.45Å; I156-L197 PolarHBondContact N-O 3.29Å; I156-L197 PolarHBondContact O-N 2.86Å
157S92Very high88.9Confident24 Ų2451.3 Ų51.317%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-104.6171.9175.1610000111.7F134 K135 G136 I159 T195F134-S157 PolarHBondContact O-N 2.86Å; K135-S157 CarbonylContact C-O 3.57Å; K135-S157 WeakPolarHBondContact CA-O 3.31Å; G136-S157 PolarHBondContact N-O 3.17Å; S157-I159 VanDerWaalsContact C-N 3.25Å; S157-I159 PolarHBondContact O-N 3.33Å; S157-T195 CarbonylContact C-O 3.12Å
158E88.7Confident88.8Confident90 Ų9052.6 Ų52.642%0.42128%0.283SS..  trans57.634.7177.5-63.3166.1-143.600113.4K135 R160 T195K135-E158 WeakPolarHBondContact CD-OE1 3.32Å; K135-E158 WeakPolarHBondContact CE-OE1 3.49Å; K135-E158 IonicContact NZ-OE1 3.9Å; K135-E158 PolarHBondContact NZ-OE1 2.98Å; K135-E158 IonicContact NZ-OE2 2.75Å; E158-R160 PolarHBondContact O-N 3.35Å; E158-T195 PolarHBondContact N-O 3.06Å
159I90Very high88.7Confident0 Ų054.7 Ų54.70%029%0.292CS..THydrogen-bonded Turntrans-68.9101.1175.5-56.4176.3000108.5N137 I156 S157 S161 G167 V168 T195 L197N137-I159 HydrophobicContact CB-CG2 4.08Å; I156-I159 HydrophobicContact CB-CD1 4.26Å; I156-I159 HydrophobicContact CG2-CD1 4.03Å; I156-I159 HydrophobicContact CG2-CG1 3.81Å; S157-I159 VanDerWaalsContact C-N 3.25Å; S157-I159 PolarHBondContact O-N 3.33Å; I159-S161 PolarHBondContact O-N 3.02Å; I159-G167 WeakPolarHBondContact CG2-O 3.33Å; I159-G167 WeakPolarHBondContact O-CA 3.47Å; I159-G167 PolarHBondContact O-N 3.07Å; I159-V168 HydrophobicContact CD1-CG1 3.84Å; I159-V168 HydrophobicContact CG2-CG1 4.08Å; I159-T195 PolarHBondContact N-O 3.17Å; I159-L197 HydrophobicContact CD1-CB 3.82Å
160R90.1Very high88.6Confident40 Ų4058.6 Ų58.615%0.15131%0.313CS..THydrogen-bonded Turntrans55.530.2179.7-56.3-177.3-175.177.65.9114.5N137 E158 S162 S163 P166 G167 E172N137-R160 PolarHBondContact ND2-NH2 2.99Å; E158-R160 PolarHBondContact O-N 3.35Å; R160-S162 PolarHBondContact O-N 3.19Å; R160-S162 VanDerWaalsContact O-N 3.07Å; R160-S163 WeakPolarHBondContact O-CB 3.48Å; R160-S163 PolarHBondContact O-N 3.34Å; R160-P166 WeakPolarHBondContact O-CA 3.23Å; R160-G167 WeakPolarHBondContact CD-O 3.25Å; R160-G167 PolarHBondContact NH1-O 2.91Å; R160-E172 IonicContact CZ-OE1 3.88Å; R160-E172 IonicContact CZ-OE2 2.76Å; R160-E172 IonicContact NH1-OE1 3.67Å; R160-E172 PolarHBondContact NH1-OE1 2.83Å; R160-E172 IonicContact NH1-OE2 2.65Å; R160-E172 PolarHBondContact NH1-OE2 2.83Å; R160-E172 VanDerWaalsContact NH2-CD 3.3Å; R160-E172 IonicContact NH2-OE1 2.67Å; R160-E172 PolarHBondContact NH2-OE1 3.48Å; R160-E172 IonicContact NH2-OE2 3.83Å; R160-E172 PolarHBondContact NH2-OE2 3.2Å
161S80.5Confident88.8Confident72 Ų7259.2 Ų59.250%0.50331%0.314SS..THydrogen-bonded Turntrans-57.1-25.4-176.448.90000114.9I159I159-S161 PolarHBondContact O-N 3.02Å
162S81.3Confident89.1Confident111 Ų11152.1 Ų52.178%0.77629%0.288SS*.THydrogen-bonded Turntrans-98.32.9177.157.90000114.9R160R160-S162 PolarHBondContact O-N 3.19Å; R160-S162 VanDerWaalsContact O-N 3.07Å
163S79.9Confident89.3Confident54 Ų5451.9 Ų51.938%0.37829%0.291SS..SBendtrans-85.4157179.8-168.60000112R160 E165R160-S163 WeakPolarHBondContact O-CB 3.48Å; R160-S163 PolarHBondContact O-N 3.34Å; S163-E165 PolarHBondContact O-N 2.88Å; S163-E165 PolarHBondContact OG-N 3.36Å
164T82Confident89.4Confident142 Ų14252.4 Ų52.487%0.87129%0.293SS*.SBendtrans-60.8-27.3167.745.40000112.6P166T164-P166 WeakPolarHBondContact O-CD 3.13Å
165E78.9Confident89.5Confident120 Ų12052.4 Ų52.456%0.56129%0.293SS*.SBendtrans-120.883.3176.8-59-179.814500109.5S163 K169S163-E165 PolarHBondContact O-N 2.88Å; S163-E165 PolarHBondContact OG-N 3.36Å; E165-K169 IonicContact OE2-NZ 2.78Å; E165-K169 PolarHBondContact OE2-NZ 3.48Å
166P85.2Confident89.6Confident73 Ų7348.6 Ų48.647%0.47428%0.279SS..  trans-71.4159.2-175.630.1-36.1000112.9R160 T164 T195R160-P166 WeakPolarHBondContact O-CA 3.23Å; T164-P166 WeakPolarHBondContact O-CD 3.13Å; P166-T195 HydrophobicContact CB-CG2 3.99Å
167G88.6Confident89.7Confident1 Ų153.9 Ų53.91%0.0130%0.302CS..SBendtrans89.8-170.2174.400000115.6I159 R160 G194I159-G167 WeakPolarHBondContact CG2-O 3.33Å; I159-G167 WeakPolarHBondContact O-CA 3.47Å; I159-G167 PolarHBondContact O-N 3.07Å; R160-G167 WeakPolarHBondContact CD-O 3.25Å; R160-G167 PolarHBondContact NH1-O 2.91Å; G167-G194 CarbonylContact C-O 3Å; G167-G194 VanDerWaalsContact CA-C 3.47Å; G167-G194 WeakPolarHBondContact CA-O 3.4Å
168V92.5Very high89.9Confident26 Ų2652.9 Ų52.916%0.15829%0.294CS..  trans-70.8146.4176.9-69.60000112.2I159 E172 V173 L190 G194I159-V168 HydrophobicContact CD1-CG1 3.84Å; I159-V168 HydrophobicContact CG2-CG1 4.08Å; V168-E172 WeakPolarHBondContact CA-OE2 3.44Å; V168-E172 HydrophobicContact CB-CB 4.41Å; V168-V173 HydrophobicContact CB-CG2 4.45Å; V168-V173 HydrophobicContact CG2-CG2 3.88Å; V168-L190 HydrophobicContact CG1-CD2 4.11Å; V168-L190 HydrophobicContact CG2-CD1 4.2Å; V168-L190 HydrophobicContact CG2-CD2 3.94Å; V168-G194 PolarHBondContact N-O 3.49Å; V168-G194 VanDerWaalsContact N-O 3.1Å
169K93.3Very high90.2Very high48 Ų4848.7 Ų48.721%0.20928%0.275CS..  trans-94.4163.2177.4-66.5-61.9-172.4-178.90112.8E165 F171 E172 V173E165-K169 IonicContact OE2-NZ 2.78Å; E165-K169 PolarHBondContact OE2-NZ 3.48Å; K169-F171 VanDerWaalsContact C-N 3.34Å; K169-F171 HydrophobicContact CB-CD1 3.63Å; K169-F171 HydrophobicContact CB-CE1 3.42Å; K169-F171 VanDerWaalsContact CB-CE1 3.42Å; K169-F171 HydrophobicContact CB-CG 4.47Å; K169-F171 HydrophobicContact CB-CZ 4.12Å; K169-F171 HydrophobicContact CG-CD1 4.48Å; K169-F171 HydrophobicContact CG-CE1 3.84Å; K169-F171 HydrophobicContact CG-CZ 4.44Å; K169-F171 PolarHBondContact O-N 3.11Å; K169-E172 HydrophobicContact CB-CG 4.43Å; K169-E172 PolarHBondContact N-OE2 3.14Å; K169-E172 CarbonylContact O-C 3.5Å; K169-E172 WeakPolarHBondContact O-CA 3.42Å; K169-E172 VanDerWaalsContact O-CB 3.29Å; K169-E172 WeakPolarHBondContact O-CB 3.26Å; K169-E172 PolarHBondContact O-N 3.16Å; K169-V173 PolarHBondContact O-N 2.89Å
170D92.3Very high90.4Very high114 Ų11451.3 Ų51.361%0.6129%0.293SS*.Hα-helixtrans-59.3-41.5-178.4-75.3-16.9000112.7E172 V173 N174D170-E172 PolarHBondContact O-N 2.89Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-N174 WeakPolarHBondContact O-CB 3.49Å; D170-N174 PolarHBondContact O-N 3.43Å
171F94.4Very high90.6Very high28 Ų2852.3 Ų52.312%0.12331%0.305CS..Hα-helixtrans-60.7-29.8171.472.4-94.7000114K169 T175 E216 R217 Y221 Y222K169-F171 VanDerWaalsContact C-N 3.34Å; K169-F171 HydrophobicContact CB-CD1 3.63Å; K169-F171 HydrophobicContact CB-CE1 3.42Å; K169-F171 VanDerWaalsContact CB-CE1 3.42Å; K169-F171 HydrophobicContact CB-CG 4.47Å; K169-F171 HydrophobicContact CB-CZ 4.12Å; K169-F171 HydrophobicContact CG-CD1 4.48Å; K169-F171 HydrophobicContact CG-CE1 3.84Å; K169-F171 HydrophobicContact CG-CZ 4.44Å; K169-F171 PolarHBondContact O-N 3.11Å; F171-T175 PolarHBondContact O-N 3.01Å; F171-T175 PolarHBondContact O-OG1 3.17Å; F171-E216 HydrophobicContact CB-CB 4.38Å; F171-E216 HydrophobicContact CD1-CB 4.39Å; F171-E216 WeakPolarHBondContact CD1-OE2 3.37Å; F171-E216 PolarHBondContact N-OE2 3.35Å; F171-R217 HydrophobicContact CB-CB 4.48Å; F171-R217 HydrophobicContact CB-CG 3.79Å; F171-R217 HydrophobicContact CD1-CG 4.11Å; F171-R217 HydrophobicContact CD2-CG 3.72Å; F171-R217 HydrophobicContact CE2-CG 4.3Å; F171-R217 HydrophobicContact CG-CG 3.62Å; F171-Y221 AromaticContact CD2-CE1 3.77Å; F171-Y221 HydrophobicContact CD2-CE1 3.77Å; F171-Y221 HydrophobicContact CD2-CE2 4.32Å; F171-Y221 AromaticContact CD2-CZ 3.6Å; F171-Y221 HydrophobicContact CE2-CE1 4.42Å; F171-Y221 HydrophobicContact CE2-CE2 4.25Å; F171-Y221 AromaticContact CE2-CZ 3.78Å; F171-Y221 WeakPolarHBondContact CE2-OH 3.22Å; F171-Y222 WeakPolarHBondContact CA-OH 3.36Å; F171-Y222 PolarHBondContact O-OH 3.01Å
172E95.4Very high91.2Very high5 Ų549 Ų492%0.02328%0.282CS..Hα-helixtrans-76.9-41.3175.9-67.6175.1157.400111.3M140 R160 V168 K169 D170 N174 T175 L176M140-E172 HydrophobicContact CE-CB 3.64Å; M140-E172 HydrophobicContact CE-CG 3.91Å; R160-E172 IonicContact CZ-OE1 3.88Å; R160-E172 IonicContact CZ-OE2 2.76Å; R160-E172 IonicContact NH1-OE1 3.67Å; R160-E172 PolarHBondContact NH1-OE1 2.83Å; R160-E172 IonicContact NH1-OE2 2.65Å; R160-E172 PolarHBondContact NH1-OE2 2.83Å; R160-E172 VanDerWaalsContact NH2-CD 3.3Å; R160-E172 IonicContact NH2-OE1 2.67Å; R160-E172 PolarHBondContact NH2-OE1 3.48Å; R160-E172 IonicContact NH2-OE2 3.83Å; R160-E172 PolarHBondContact NH2-OE2 3.2Å; V168-E172 WeakPolarHBondContact CA-OE2 3.44Å; V168-E172 HydrophobicContact CB-CB 4.41Å; K169-E172 HydrophobicContact CB-CG 4.43Å; K169-E172 PolarHBondContact N-OE2 3.14Å; K169-E172 CarbonylContact O-C 3.5Å; K169-E172 WeakPolarHBondContact O-CA 3.42Å; K169-E172 VanDerWaalsContact O-CB 3.29Å; K169-E172 WeakPolarHBondContact O-CB 3.26Å; K169-E172 PolarHBondContact O-N 3.16Å; D170-E172 PolarHBondContact O-N 2.89Å; E172-N174 VanDerWaalsContact C-N 3.31Å; E172-N174 PolarHBondContact O-N 3.41Å; E172-T175 VanDerWaalsContact O-CB 3.24Å; E172-T175 WeakPolarHBondContact O-CB 3.48Å; E172-T175 PolarHBondContact O-N 2.87Å; E172-T175 VanDerWaalsContact O-N 3.09Å; E172-L176 WeakPolarHBondContact O-CG 3.21Å; E172-L176 PolarHBondContact O-N 3.4Å
173V94.4Very high91.9Very high38 Ų3844.2 Ų44.223%0.2325%0.248CC..Hα-helixtrans-61.2-40.7171.4178.10000110.7V168 K169 D170 T175 L176 K177V168-V173 HydrophobicContact CB-CG2 4.45Å; V168-V173 HydrophobicContact CG2-CG2 3.88Å; K169-V173 PolarHBondContact O-N 2.89Å; D170-V173 PolarHBondContact O-N 2.96Å; V173-T175 VanDerWaalsContact C-N 3.32Å; V173-T175 PolarHBondContact O-N 3.16Å; V173-L176 PolarHBondContact O-N 3.35Å; V173-K177 WeakPolarHBondContact O-CG 3.41Å; V173-K177 PolarHBondContact O-N 3.1Å
174N95.8Very high92.4Very high30 Ų3046.9 Ų46.916%0.1626%0.258CS..Hα-helixtrans-65.6-33.8173.4-72.5-10.5000112.1D170 E172 L176 K177 L178 F211 Y222D170-N174 WeakPolarHBondContact O-CB 3.49Å; D170-N174 PolarHBondContact O-N 3.43Å; E172-N174 VanDerWaalsContact C-N 3.31Å; E172-N174 PolarHBondContact O-N 3.41Å; N174-L176 VanDerWaalsContact C-N 3.31Å; N174-L176 PolarHBondContact O-N 3.12Å; N174-K177 PolarHBondContact O-N 2.91Å; N174-K177 PolarHBondContact OD1-NZ 2.83Å; N174-L178 WeakPolarHBondContact O-CB 3.22Å; N174-L178 PolarHBondContact O-N 3.45Å; N174-F211 HydrophobicContact CB-CZ 4.19Å; N174-F211 WeakPolarHBondContact O-CZ 3.28Å; N174-Y222 HydrophobicContact CB-CE1 4.07Å; N174-Y222 WeakPolarHBondContact CB-OH 3.31Å
175T96.4Very high92.6Very high0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-60.8-42.8172.2-51.60000111.3L144 F171 E172 V173 L178 I179 Y221 L225L144-T175 HydrophobicContact CD1-CG2 4.45Å; F171-T175 PolarHBondContact O-N 3.01Å; F171-T175 PolarHBondContact O-OG1 3.17Å; E172-T175 VanDerWaalsContact O-CB 3.24Å; E172-T175 WeakPolarHBondContact O-CB 3.48Å; E172-T175 PolarHBondContact O-N 2.87Å; E172-T175 VanDerWaalsContact O-N 3.09Å; V173-T175 VanDerWaalsContact C-N 3.32Å; V173-T175 PolarHBondContact O-N 3.16Å; T175-L178 PolarHBondContact O-N 2.84Å; T175-I179 HydrophobicContact CG2-CD1 4.33Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 2.72Å; T175-Y221 VanDerWaalsContact OG1-CE1 3.31Å; T175-Y221 WeakPolarHBondContact OG1-CE1 3.33Å; T175-L225 HydrophobicContact CG2-CD1 4.11Å; T175-L225 HydrophobicContact CG2-CD2 3.51Å; T175-L225 HydrophobicContact CG2-CG 4.49Å
176L95.9Very high93.3Very high5 Ų537.9 Ų37.93%0.02622%0.223CC..Hα-helixtrans-67.2-41.1177.6-65.5165.5000111.4L144 E172 V173 N174 I179 C180 V188 L197L144-L176 HydrophobicContact CD1-CD2 3.82Å; L144-L176 HydrophobicContact CD2-CD2 3.84Å; E172-L176 WeakPolarHBondContact O-CG 3.21Å; E172-L176 PolarHBondContact O-N 3.4Å; V173-L176 PolarHBondContact O-N 3.35Å; N174-L176 VanDerWaalsContact C-N 3.31Å; N174-L176 PolarHBondContact O-N 3.12Å; L176-I179 PolarHBondContact O-N 2.83Å; L176-C180 PolarHBondContact O-N 3.44Å; L176-C180 PolarHBondContact O-SG 3.32Å; L176-C180 VanDerWaalsContact O-SG 3.35Å; L176-V188 HydrophobicContact CB-CG1 4.31Å; L176-V188 HydrophobicContact CB-CG2 4.29Å; L176-V188 HydrophobicContact CD1-CG1 3.93Å; L176-V188 HydrophobicContact CD2-CG1 4.3Å; L176-V188 HydrophobicContact CD2-CG2 4.2Å; L176-V188 HydrophobicContact CG-CG1 4.41Å; L176-L197 HydrophobicContact CD1-CD1 3.98Å; L176-L197 HydrophobicContact CD1-CD2 4.18Å; L176-L197 HydrophobicContact CD2-CD1 4.36Å; L176-L197 HydrophobicContact CD2-CD2 4.2Å
177K95.6Very high93.6Very high111 Ų11137.9 Ų37.948%0.48322%0.221SC..Hα-helixtrans-58.7-46.7172.3-69.1171.2-171.6156.40111.9V173 N174 I179 C180 S181 F211V173-K177 WeakPolarHBondContact O-CG 3.41Å; V173-K177 PolarHBondContact O-N 3.1Å; N174-K177 PolarHBondContact O-N 2.91Å; N174-K177 PolarHBondContact OD1-NZ 2.83Å; K177-I179 VanDerWaalsContact C-N 3.33Å; K177-I179 PolarHBondContact O-N 2.98Å; K177-C180 CarbonylContact O-C 3.59Å; K177-C180 WeakPolarHBondContact O-CB 3.47Å; K177-C180 PolarHBondContact O-N 2.69Å; K177-C180 VanDerWaalsContact O-N 3.11Å; K177-S181 PolarHBondContact O-N 3.29Å; K177-S181 PolarHBondContact O-OG 2.96Å; K177-F211 HydrophobicContact CB-CE2 3.95Å; K177-F211 HydrophobicContact CB-CZ 4.24Å
178L96.7Very high93.8Very high2 Ų240.1 Ų40.11%0.0123%0.234CC..Hα-helixtrans-58.9-42.9177.2178.259.6000112.1N174 T175 S181 L182 F209 F211 Y222 L226N174-L178 WeakPolarHBondContact O-CB 3.22Å; N174-L178 PolarHBondContact O-N 3.45Å; T175-L178 PolarHBondContact O-N 2.84Å; L178-S181 PolarHBondContact O-N 2.89Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.7Å; L178-F209 HydrophobicContact CD1-CE2 3.61Å; L178-F209 HydrophobicContact CD1-CZ 3.89Å; L178-F211 HydrophobicContact CB-CD1 4.44Å; L178-F211 HydrophobicContact CB-CD2 4.44Å; L178-F211 HydrophobicContact CB-CE1 4Å; L178-F211 HydrophobicContact CB-CE2 4Å; L178-F211 HydrophobicContact CB-CZ 3.79Å; L178-F211 HydrophobicContact CD1-CB 4.41Å; L178-F211 HydrophobicContact CD1-CD1 4.08Å; L178-F211 HydrophobicContact CD1-CD2 4.2Å; L178-F211 HydrophobicContact CD1-CE1 4.47Å; L178-F211 HydrophobicContact CD1-CG 3.95Å; L178-Y222 HydrophobicContact CD2-CD1 3.79Å; L178-Y222 HydrophobicContact CD2-CG 4.23Å; L178-L226 HydrophobicContact CD1-CD2 4.28Å; L178-L226 HydrophobicContact CD2-CD2 4.34Å; L178-L226 HydrophobicContact CD2-CG 4.43Å; L178-L226 HydrophobicContact CG-CD2 4.37Å
179I95.8Very high93.7Very high2 Ų243.5 Ų43.51%0.0125%0.252CS..Hα-helixtrans-61.2-44.6174.4-72.6164.1000110.7L144 L148 T175 L176 K177 S181 L182 T183 F199 L225L144-I179 HydrophobicContact CB-CD1 3.84Å; L144-I179 HydrophobicContact CD1-CD1 3.83Å; L144-I179 HydrophobicContact CD2-CD1 4.47Å; L144-I179 HydrophobicContact CG-CD1 4.26Å; L148-I179 HydrophobicContact CD1-CG1 4.29Å; L148-I179 HydrophobicContact CD1-CG2 3.82Å; L148-I179 HydrophobicContact CD2-CG2 4.29Å; T175-I179 HydrophobicContact CG2-CD1 4.33Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 2.72Å; L176-I179 PolarHBondContact O-N 2.83Å; K177-I179 VanDerWaalsContact C-N 3.33Å; K177-I179 PolarHBondContact O-N 2.98Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.8Å; I179-L182 PolarHBondContact O-N 2.86Å; I179-L182 VanDerWaalsContact O-N 3.13Å; I179-T183 HydrophobicContact CG2-CG2 4.47Å; I179-T183 WeakPolarHBondContact O-CB 3.28Å; I179-T183 WeakPolarHBondContact O-CG2 3.5Å; I179-T183 PolarHBondContact O-N 3.49Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 2.89Å; I179-F199 HydrophobicContact CG2-CE2 3.98Å; I179-F199 HydrophobicContact CG2-CZ 3.75Å; I179-L225 HydrophobicContact CD1-CD2 3.78Å; I179-L225 HydrophobicContact CG1-CD2 4.04Å
180C93.4Very high93.6Very high56 Ų5644.1 Ų44.138%0.37826%0.257SS..Hα-helixtrans-64-33.7176.3-690000112.9L176 K177 L182L176-C180 PolarHBondContact O-N 3.44Å; L176-C180 PolarHBondContact O-SG 3.32Å; L176-C180 VanDerWaalsContact O-SG 3.35Å; K177-C180 CarbonylContact O-C 3.59Å; K177-C180 WeakPolarHBondContact O-CB 3.47Å; K177-C180 PolarHBondContact O-N 2.69Å; K177-C180 VanDerWaalsContact O-N 3.11Å; C180-L182 VanDerWaalsContact C-N 3.33Å
181S93.9Very high93.1Very high60 Ų6039.8 Ų39.842%0.4224%0.239SC..Hα-helixtrans-68.9-29.4171.7-59.90000113.2K177 L178 I179K177-S181 PolarHBondContact O-N 3.29Å; K177-S181 PolarHBondContact O-OG 2.96Å; L178-S181 PolarHBondContact O-N 2.89Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.8Å
182L94.3Very high92.5Very high2 Ų245.4 Ų45.41%0.0128%0.278CS..Hα-helixtrans-82.8-18.4-179.8-17365.2000113.8L178 I179 C180 L204 T205 G206 F209 L226 L229 L237L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.7Å; I179-L182 PolarHBondContact O-N 2.86Å; I179-L182 VanDerWaalsContact O-N 3.13Å; C180-L182 VanDerWaalsContact C-N 3.33Å; L182-L204 HydrophobicContact CD2-CD2 3.97Å; L182-L204 HydrophobicContact CG-CD2 4.17Å; L182-T205 PolarHBondContact O-N 3.33Å; L182-T205 PolarHBondContact O-OG1 2.86Å; L182-T205 VanDerWaalsContact O-OG1 3.12Å; L182-G206 PolarHBondContact O-N 3.37Å; L182-F209 HydrophobicContact CD1-CE1 4.38Å; L182-L226 HydrophobicContact CD1-CD2 4.45Å; L182-L226 HydrophobicContact CD2-CD2 4.02Å; L182-L229 HydrophobicContact CD2-CB 3.96Å; L182-L229 HydrophobicContact CD2-CD1 3.69Å; L182-L229 HydrophobicContact CD2-CG 4.49Å; L182-L237 HydrophobicContact CD1-CD1 3.49Å; L182-L237 VanDerWaalsContact CD1-CD1 3.49Å; L182-L237 HydrophobicContact CD1-CD2 4.26Å
183T94.3Very high91.9Very high12 Ų1249.6 Ų49.67%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-129.8148.2-165.657.70000113.3L148 I179 S186 F203 L204L148-T183 HydrophobicContact CD2-CG2 3.72Å; I179-T183 HydrophobicContact CG2-CG2 4.47Å; I179-T183 WeakPolarHBondContact O-CB 3.28Å; I179-T183 WeakPolarHBondContact O-CG2 3.5Å; I179-T183 PolarHBondContact O-N 3.49Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 2.89Å; T183-S186 VanDerWaalsContact CB-OG 3.31Å; T183-S186 WeakPolarHBondContact CB-OG 3.39Å; T183-S186 WeakPolarHBondContact OG1-CB 3.29Å; T183-S186 PolarHBondContact OG1-OG 3.18Å; T183-F203 CarbonylContact C-O 3.58Å; T183-F203 VanDerWaalsContact CA-O 3.24Å; T183-F203 WeakPolarHBondContact CA-O 3.47Å; T183-L204 HydrophobicContact CG2-CD2 3.69Å; T183-L204 HydrophobicContact CG2-CG 4.36Å
184N91.1Very high91.5Very high109 Ų10948.3 Ų48.358%0.58330%0.299SS*.EExtended strand (participates in β ladder)trans-104.6125.8171.9-173.3-0.2000110.6G202 F203 T205N184-G202 WeakPolarHBondContact O-CA 3.47Å; N184-F203 PolarHBondContact N-O 3.14Å; N184-F203 PolarHBondContact O-N 2.87Å; N184-T205 HydrophobicContact CB-CG2 3.7Å
185G86.9Confident91.3Very high52 Ų5248.3 Ų48.354%0.53630%0.3SS..SBendtrans81.715.8176.800000115.7
186S92.7Very high91Very high21 Ų2151.7 Ų51.715%0.14732%0.316CS..  trans-70.3139.9167.5-65.50000110T183 K200 G202T183-S186 VanDerWaalsContact CB-OG 3.31Å; T183-S186 WeakPolarHBondContact CB-OG 3.39Å; T183-S186 WeakPolarHBondContact OG1-CB 3.29Å; T183-S186 PolarHBondContact OG1-OG 3.18Å; S186-K200 WeakPolarHBondContact CA-O 3.38Å; S186-G202 WeakPolarHBondContact OG-CA 3.39Å; S186-G202 PolarHBondContact OG-N 2.99Å
187V91Very high90.9Very high74 Ų7451.4 Ų51.445%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-118.8126.6173.5-173.80000108.4K200V187-K200 HydrophobicContact CB-CB 4.1Å; V187-K200 HydrophobicContact CG2-CD 4.44Å; V187-K200 PolarHBondContact N-O 3.48Å; V187-K200 PolarHBondContact O-N 2.9Å
188V94Very high90.9Very high47 Ų4749.5 Ų49.529%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-112.6121.7173.4177.30000106.1L176 L190 L197 F199L176-V188 HydrophobicContact CB-CG1 4.31Å; L176-V188 HydrophobicContact CB-CG2 4.29Å; L176-V188 HydrophobicContact CD1-CG1 3.93Å; L176-V188 HydrophobicContact CD2-CG1 4.3Å; L176-V188 HydrophobicContact CD2-CG2 4.2Å; L176-V188 HydrophobicContact CG-CG1 4.41Å; V188-L190 HydrophobicContact CG1-CG 4.43Å; V188-L197 HydrophobicContact CG1-CD1 3.88Å; V188-F199 HydrophobicContact CG2-CD2 3.83Å; V188-F199 HydrophobicContact CG2-CE2 4.07Å
189D90.9Very high90.8Very high97 Ų9749.4 Ų49.452%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-124.6127.2174.9-172.913.9000108.4F198D189-F198 HydrophobicContact CB-CB 4.28Å; D189-F198 HydrophobicContact CB-CD1 4.28Å; D189-F198 PolarHBondContact N-O 2.85Å; D189-F198 PolarHBondContact O-N 3.04Å
190L90.7Very high90.7Very high61 Ų6154.7 Ų54.732%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-116.3127.9-176.6-75.5170.4000107.8V168 V188 L197V168-L190 HydrophobicContact CG1-CD2 4.11Å; V168-L190 HydrophobicContact CG2-CD1 4.2Å; V168-L190 HydrophobicContact CG2-CD2 3.94Å; V188-L190 HydrophobicContact CG1-CG 4.43Å; L190-L197 HydrophobicContact CD2-CB 4Å; L190-L197 HydrophobicContact CD2-CD1 3.68Å; L190-L197 HydrophobicContact CD2-CG 4.38Å; L190-L197 HydrophobicContact CG-CD1 4.33Å
191G82Confident90.7Very high23 Ų2352.9 Ų52.924%0.23732%0.316CS..  trans-57.8155.1173.400000111.1T193 G194 E196G191-T193 PolarHBondContact O-N 2.73Å; G191-G194 PolarHBondContact O-N 3.34Å; G191-E196 PolarHBondContact N-O 2.95Å
192P82Confident90.5Very high146 Ų14650.2 Ų50.295%0.94830%0.299SS*.THydrogen-bonded Turntrans-59-22-172.417.7-29.4000114.9
193T81.5Confident90.4Very high93 Ų9355.2 Ų55.257%0.57132%0.321SS*.THydrogen-bonded Turntrans-96.5-0.9175.150.60000114G191 T195G191-T193 PolarHBondContact O-N 2.73Å; T193-T195 PolarHBondContact O-N 3.26Å; T193-T195 VanDerWaalsContact O-N 3.07Å; T193-T195 PolarHBondContact OG1-OG1 3.44Å
194G86.9Confident90.3Very high12 Ų1255.4 Ų55.412%0.12432%0.321CS..SBendtrans66.11-172.100000115.2G167 V168 G191 E196G167-G194 CarbonylContact C-O 3Å; G167-G194 VanDerWaalsContact CA-C 3.47Å; G167-G194 WeakPolarHBondContact CA-O 3.4Å; V168-G194 PolarHBondContact N-O 3.49Å; V168-G194 VanDerWaalsContact N-O 3.1Å; G191-G194 PolarHBondContact O-N 3.34Å; G194-E196 VanDerWaalsContact C-N 3.29Å; G194-E196 PolarHBondContact O-N 2.9Å
195T90.4Very high90.4Very high29 Ų2951.8 Ų51.818%0.17830%0.303CS..SBendtrans-79.8-10.4-178.356.80000113.6S157 E158 I159 P166 T193S157-T195 CarbonylContact C-O 3.12Å; E158-T195 PolarHBondContact N-O 3.06Å; I159-T195 PolarHBondContact N-O 3.17Å; P166-T195 HydrophobicContact CB-CG2 3.99Å; T193-T195 PolarHBondContact O-N 3.26Å; T193-T195 VanDerWaalsContact O-N 3.07Å; T193-T195 PolarHBondContact OG1-OG1 3.44Å
196E92Very high90.7Very high71 Ų7149.6 Ų49.633%0.33228%0.281SS..  trans-125.8139.3171.3-61-159.3175.500111R155 I156 G191 G194R155-E196 IonicContact CZ-OE1 3.38Å; R155-E196 IonicContact CZ-OE2 3.22Å; R155-E196 VanDerWaalsContact CZ-OE2 3.27Å; R155-E196 IonicContact NE-OE2 3.73Å; R155-E196 PolarHBondContact NE-OE2 2.98Å; R155-E196 IonicContact NH2-OE1 3.54Å; R155-E196 PolarHBondContact NH2-OE1 3.26Å; R155-E196 IonicContact NH2-OE2 2.77Å; R155-E196 PolarHBondContact NH2-OE2 2.99Å; I156-E196 CarbonylContact O-C 3.58Å; I156-E196 VanDerWaalsContact O-CA 3.3Å; I156-E196 WeakPolarHBondContact O-CA 3.38Å; G191-E196 PolarHBondContact N-O 2.95Å; G194-E196 VanDerWaalsContact C-N 3.29Å; G194-E196 PolarHBondContact O-N 2.9Å
197L93.2Very high90.7Very high0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-126.8121173.9166.863.7000108.9M140 R155 I156 I159 L176 V188 L190M140-L197 HydrophobicContact CE-CD2 4.43Å; M140-L197 HydrophobicContact SD-CD2 3.83Å; R155-L197 CarbonylContact C-O 3.49Å; R155-L197 WeakPolarHBondContact CA-O 3.41Å; I156-L197 HydrophobicContact CB-CB 4.49Å; I156-L197 HydrophobicContact CD1-CD2 4.45Å; I156-L197 PolarHBondContact N-O 3.29Å; I156-L197 PolarHBondContact O-N 2.86Å; I159-L197 HydrophobicContact CD1-CB 3.82Å; L176-L197 HydrophobicContact CD1-CD1 3.98Å; L176-L197 HydrophobicContact CD1-CD2 4.18Å; L176-L197 HydrophobicContact CD2-CD1 4.36Å; L176-L197 HydrophobicContact CD2-CD2 4.2Å; V188-L197 HydrophobicContact CG1-CD1 3.88Å; L190-L197 HydrophobicContact CD2-CB 4Å; L190-L197 HydrophobicContact CD2-CD1 3.68Å; L190-L197 HydrophobicContact CD2-CG 4.38Å; L190-L197 HydrophobicContact CG-CD1 4.33Å
198F94.5Very high91Very high71 Ų7150.2 Ų50.231%0.31129%0.291SS..EExtended strand (participates in β ladder)trans-102.9127.3164176.1-104.5000109.4P153 I154 D189 K200P153-F198 HydrophobicContact CB-CE2 4.09Å; P153-F198 HydrophobicContact CB-CZ 4.19Å; I154-F198 WeakPolarHBondContact O-CA 3.2Å; I154-F198 WeakPolarHBondContact O-CD2 3.19Å; D189-F198 HydrophobicContact CB-CB 4.28Å; D189-F198 HydrophobicContact CB-CD1 4.28Å; D189-F198 PolarHBondContact N-O 2.85Å; D189-F198 PolarHBondContact O-N 3.04Å; F198-K200 HydrophobicContact CE1-CB 4.23Å; F198-K200 HydrophobicContact CZ-CB 4.47Å
199F95.1Very high91.1Very high0 Ų050 Ų500%029%0.285CS..EExtended strand (participates in β ladder)trans-128.2119.5-178.7176.9-109.7000110.8L144 S147 L148 P153 I154 I179 V188 P201L144-F199 HydrophobicContact CD2-CB 4.04Å; L144-F199 HydrophobicContact CD2-CD1 3.49Å; L144-F199 VanDerWaalsContact CD2-CD1 3.49Å; L144-F199 HydrophobicContact CD2-CD2 4.14Å; L144-F199 HydrophobicContact CD2-CE1 3.91Å; L144-F199 HydrophobicContact CD2-CG 3.6Å; L144-F199 HydrophobicContact CD2-CZ 4.4Å; S147-F199 WeakPolarHBondContact OG-CD1 3.34Å; L148-F199 HydrophobicContact CD2-CE1 4.25Å; L148-F199 HydrophobicContact CD2-CZ 3.86Å; L148-F199 HydrophobicContact CG-CE1 4.08Å; L148-F199 HydrophobicContact CG-CZ 4.05Å; P153-F199 CarbonylContact C-O 3.57Å; P153-F199 WeakPolarHBondContact CA-O 3.36Å; I154-F199 HydrophobicContact CD1-CB 4.47Å; I154-F199 HydrophobicContact CD1-CD1 4.37Å; I154-F199 HydrophobicContact CG1-CB 3.87Å; I154-F199 HydrophobicContact CG1-CD1 4.22Å; I154-F199 PolarHBondContact N-O 3.13Å; I154-F199 PolarHBondContact O-N 2.74Å; I179-F199 HydrophobicContact CG2-CE2 3.98Å; I179-F199 HydrophobicContact CG2-CZ 3.75Å; V188-F199 HydrophobicContact CG2-CD2 3.83Å; V188-F199 HydrophobicContact CG2-CE2 4.07Å; F199-P201 HydrophobicContact CE1-CB 4.17Å
200K93.8Very high91.4Very high112 Ų11249.9 Ų49.949%0.48729%0.285SS..EExtended strand (participates in β ladder)trans-105.5116.4174.2-174.9-176.9-177.8-1790108.9S186 V187 F198S186-K200 WeakPolarHBondContact CA-O 3.38Å; V187-K200 HydrophobicContact CB-CB 4.1Å; V187-K200 HydrophobicContact CG2-CD 4.44Å; V187-K200 PolarHBondContact N-O 3.48Å; V187-K200 PolarHBondContact O-N 2.9Å; F198-K200 HydrophobicContact CE1-CB 4.23Å; F198-K200 HydrophobicContact CZ-CB 4.47Å
201P92.7Very high91.7Very high18 Ų1847.9 Ų47.912%0.11727%0.274CS..  trans-72.3133.2-17628.2-35.2000112.5S147 L148 F199S147-P201 WeakPolarHBondContact O-CB 3.5Å; S147-P201 WeakPolarHBondContact O-CG 3.46Å; L148-P201 HydrophobicContact CD2-CB 3.93Å; L148-P201 HydrophobicContact CG-CB 4.45Å; F199-P201 HydrophobicContact CE1-CB 4.17Å
202G89.7Confident92.4Very high5 Ų551.7 Ų51.75%0.05229%0.289CS..  trans-88.9-162.817000000113.5N184 S186N184-G202 WeakPolarHBondContact O-CA 3.47Å; S186-G202 WeakPolarHBondContact OG-CA 3.39Å; S186-G202 PolarHBondContact OG-N 2.99Å
203F92.3Very high93Very high106 Ų10644.8 Ų44.847%0.46524%0.244SC..EExtended strand (participates in β ladder)trans-91.4130174.4-62.8-84.4000111T183 N184 T205T183-F203 CarbonylContact C-O 3.58Å; T183-F203 VanDerWaalsContact CA-O 3.24Å; T183-F203 WeakPolarHBondContact CA-O 3.47Å; N184-F203 PolarHBondContact N-O 3.14Å; N184-F203 PolarHBondContact O-N 2.87Å; F203-T205 PolarHBondContact O-N 3.07Å; F203-T205 VanDerWaalsContact O-N 3.07Å
204L93.8Very high93.6Very high16 Ų1641.1 Ų41.18%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-66104.5170.7-68.5164.5000110.1L149 L182 T183 L229 F232 K234L149-L204 HydrophobicContact CD2-CD1 3.96Å; L182-L204 HydrophobicContact CD2-CD2 3.97Å; L182-L204 HydrophobicContact CG-CD2 4.17Å; T183-L204 HydrophobicContact CG2-CD2 3.69Å; T183-L204 HydrophobicContact CG2-CG 4.36Å; L204-L229 HydrophobicContact CD1-CD2 4.04Å; L204-L229 HydrophobicContact CD2-CB 4.13Å; L204-L229 HydrophobicContact CD2-CD1 4.24Å; L204-L229 HydrophobicContact CD2-CD2 4.13Å; L204-L229 HydrophobicContact CD2-CG 4.4Å; L204-F232 HydrophobicContact CD1-CB 3.8Å; L204-K234 PolarHBondContact O-N 2.81Å
205T92.3Very high93.8Very high33 Ų3346.4 Ų46.420%0.20224%0.244CC..  trans-89.8-39.8178.538.90000111.6L182 N184 F203 K234 M235L182-T205 PolarHBondContact O-N 3.33Å; L182-T205 PolarHBondContact O-OG1 2.86Å; L182-T205 VanDerWaalsContact O-OG1 3.12Å; N184-T205 HydrophobicContact CB-CG2 3.7Å; F203-T205 PolarHBondContact O-N 3.07Å; F203-T205 VanDerWaalsContact O-N 3.07Å; T205-K234 PolarHBondContact O-N 2.94Å; T205-M235 WeakPolarHBondContact O-CB 3.48Å; T205-M235 PolarHBondContact O-N 3.04Å
206G92.3Very high93.8Very high7 Ų750 Ų507%0.07226%0.259CS..  trans70.4-159.8-166.300000111.7L182 M235L182-G206 PolarHBondContact O-N 3.37Å; G206-M235 WeakPolarHBondContact O-CE 3.24Å
207G94Very high93.9Very high13 Ų1350.1 Ų50.113%0.13426%0.256CS..EExtended strand (participates in β ladder)trans121.6-166.5-177.900000113.2P236 L237 N238G207-P236 CarbonylContact C-O 3.52Å; G207-P236 WeakPolarHBondContact CA-O 3.37Å; G207-P236 PolarHBondContact N-O 3.44Å; G207-L237 WeakPolarHBondContact O-CA 3.27Å; G207-N238 PolarHBondContact O-N 2.9Å
208S96.5Very high94Very high95 Ų9550.1 Ų50.166%0.66426%0.257SS*.EExtended strand (participates in β ladder)trans-113125.7-179.7-52.80000110.6N238S208-N238 VanDerWaalsContact CA-O 3.28Å; S208-N238 WeakPolarHBondContact CA-O 3.09Å
209F96.3Very high94.1Very high41 Ų4146.8 Ų46.818%0.1824%0.242CC..EExtended strand (participates in β ladder)trans-155.3164.1176.360.2-94.5000112.1L178 L182 F211 L237 N238 V239 V240L178-F209 HydrophobicContact CD1-CE2 3.61Å; L178-F209 HydrophobicContact CD1-CZ 3.89Å; L182-F209 HydrophobicContact CD1-CE1 4.38Å; F209-F211 HydrophobicContact CD2-CB 4.18Å; F209-F211 HydrophobicContact CE2-CB 4.17Å; F209-L237 HydrophobicContact CE1-CD1 4.13Å; F209-N238 PolarHBondContact N-O 3.14Å; F209-V239 HydrophobicContact CD1-CG2 4.13Å; F209-V239 HydrophobicContact CD2-CG1 3.96Å; F209-V239 HydrophobicContact CD2-CG2 4.32Å; F209-V239 HydrophobicContact CE1-CG2 3.63Å; F209-V239 HydrophobicContact CE2-CB 4.38Å; F209-V239 HydrophobicContact CE2-CG1 3.56Å; F209-V239 HydrophobicContact CE2-CG2 3.83Å; F209-V239 HydrophobicContact CG-CG2 4.45Å; F209-V239 HydrophobicContact CZ-CB 4.45Å; F209-V239 HydrophobicContact CZ-CG1 4.05Å; F209-V239 HydrophobicContact CZ-CG2 3.47Å; F209-V239 VanDerWaalsContact CZ-CG2 3.47Å; F209-V239 WeakPolarHBondContact O-CA 3.4Å; F209-V240 PolarHBondContact O-N 3.49Å
210D96.8Very high94.1Very high95 Ų9546.8 Ų46.851%0.50824%0.242SC..EExtended strand (participates in β ladder)trans-111.6138.7175.7-169-58.1000108.4V240 H242D210-V240 CarbonylContact C-O 3.57Å; D210-V240 WeakPolarHBondContact CA-O 3.33Å; D210-V240 HydrophobicContact CB-CB 4.25Å; D210-V240 WeakPolarHBondContact OD2-CB 3.36Å; D210-V240 WeakPolarHBondContact OD2-CG1 3.36Å; D210-H242 IonicContact OD1-CD2 2.68Å; D210-H242 PolarHBondContact OD1-CD2 2.86Å; D210-H242 IonicContact OD1-NE2 3.84Å; D210-H242 PolarHBondContact OD1-NE2 3.17Å; D210-H242 IonicContact OD2-CD2 2.73Å; D210-H242 IonicContact OD2-CE1 2.67Å; D210-H242 IonicContact OD2-NE2 2.74Å; D210-H242 PolarHBondContact OD2-NE2 2.84Å
211F97.6Very high94.2Very high20 Ų2042 Ų429%0.08822%0.221CC..EExtended strand (participates in β ladder)trans-146.2127.1-173.5-172.5-91000112.4N174 K177 L178 F209 Y222 V240 L241 H242N174-F211 HydrophobicContact CB-CZ 4.19Å; N174-F211 WeakPolarHBondContact O-CZ 3.28Å; K177-F211 HydrophobicContact CB-CE2 3.95Å; K177-F211 HydrophobicContact CB-CZ 4.24Å; L178-F211 HydrophobicContact CB-CD1 4.44Å; L178-F211 HydrophobicContact CB-CD2 4.44Å; L178-F211 HydrophobicContact CB-CE1 4Å; L178-F211 HydrophobicContact CB-CE2 4Å; L178-F211 HydrophobicContact CB-CZ 3.79Å; L178-F211 HydrophobicContact CD1-CB 4.41Å; L178-F211 HydrophobicContact CD1-CD1 4.08Å; L178-F211 HydrophobicContact CD1-CD2 4.2Å; L178-F211 HydrophobicContact CD1-CE1 4.47Å; L178-F211 HydrophobicContact CD1-CG 3.95Å; F209-F211 HydrophobicContact CD2-CB 4.18Å; F209-F211 HydrophobicContact CE2-CB 4.17Å; F211-Y222 HydrophobicContact CE1-CD1 4.45Å; F211-Y222 HydrophobicContact CE1-CE1 4.42Å; F211-V240 PolarHBondContact N-O 3.14Å; F211-L241 HydrophobicContact CB-CD2 3.95Å; F211-L241 HydrophobicContact CD1-CD2 4.16Å; F211-L241 HydrophobicContact CG-CD2 4.49Å; F211-L241 WeakPolarHBondContact O-CA 3.18Å; F211-H242 PolarHBondContact O-N 3.38Å
212D96.7Very high94.4Very high102 Ų10241.2 Ų41.255%0.54522%0.215SC..EExtended strand (participates in β ladder)trans-85.9117.7171.9-175.811.1000110.7G214D212-G214 VanDerWaalsContact C-N 3.27Å; D212-G214 PolarHBondContact OD1-N 2.84Å
213C95.3Very high94.7Very high2 Ų241 Ų411%0.01421%0.213CC..  trans-77.1-13.1177.3-61.90000112.8I219 Y222 H242C213-I219 HydrophobicContact CB-CG1 4.32Å; C213-Y222 HydrophobicContact CB-CD2 3.56Å; C213-Y222 HydrophobicContact CB-CE2 3.44Å; C213-Y222 VanDerWaalsContact CB-CE2 3.44Å; C213-Y222 HydrophobicContact CB-CG 4.31Å; C213-Y222 WeakPolarHBondContact O-CE2 3.42Å; C213-Y222 PolarHBondContact O-OH 3.08Å; C213-H242 WeakPolarHBondContact CB-O 3.32Å; C213-H242 PolarHBondContact N-O 2.87Å; C213-H242 PolarHBondContact SG-O 3.17Å
214G93Very high94.9Very high15 Ų1536.2 Ų36.216%0.15519%0.192CC..  trans75.2-161.8-169.400000113D212 G243D212-G214 VanDerWaalsContact C-N 3.27Å; D212-G214 PolarHBondContact OD1-N 2.84Å; G214-G243 WeakPolarHBondContact O-CA 3.11Å
215K91.9Very high95Very high123 Ų12335.6 Ų35.654%0.53519%0.189SC..SBendtrans-119.4-13.1-170.3-59.8175.2-174.4174.40114.8N286K215-N286 VanDerWaalsContact CE-O 3.32Å; K215-N286 WeakPolarHBondContact CE-O 3.45Å
216E90.8Very high95.3Very high104 Ų10434 Ų3449%0.48618%0.18SC..SBendtrans-71.9-29.4-175.8-58.8-173.1121.800113.7F171F171-E216 HydrophobicContact CB-CB 4.38Å; F171-E216 HydrophobicContact CD1-CB 4.39Å; F171-E216 WeakPolarHBondContact CD1-OE2 3.37Å; F171-E216 PolarHBondContact N-OE2 3.35Å
217R94Very high95.5Very high74 Ų7433.7 Ų33.728%0.27918%0.176SC..SBendtrans-134.3159.5-177.1-61.7-58.2-69.6-133.71110.8F171 Y221 D250F171-R217 HydrophobicContact CB-CB 4.48Å; F171-R217 HydrophobicContact CB-CG 3.79Å; F171-R217 HydrophobicContact CD1-CG 4.11Å; F171-R217 HydrophobicContact CD2-CG 3.72Å; F171-R217 HydrophobicContact CE2-CG 4.3Å; F171-R217 HydrophobicContact CG-CG 3.62Å; R217-Y221 HydrophobicContact CB-CD1 4.35Å; R217-Y221 HydrophobicContact CB-CG 4.16Å; R217-Y221 HydrophobicContact CG-CG 4.47Å; R217-D250 WeakPolarHBondContact CB-OD2 3.39Å; R217-D250 IonicContact CZ-OD1 3.4Å; R217-D250 IonicContact CZ-OD2 2.94Å; R217-D250 IonicContact NE-OD1 2.92Å; R217-D250 PolarHBondContact NE-OD1 3.28Å; R217-D250 IonicContact NE-OD2 3.95Å; R217-D250 PolarHBondContact NE-OD2 2.83Å; R217-D250 IonicContact NH2-OD1 3.32Å; R217-D250 PolarHBondContact NH2-OD1 3.48Å; R217-D250 IonicContact NH2-OD2 2.95Å
218G94Very high95.6Very high1 Ų133.2 Ų33.21%0.0117%0.17CC..BIsolated β-bridgetrans-70.8150.7176.100000112.5G220 Y221 V244 D250G218-G220 PolarHBondContact O-N 2.98Å; G218-G220 VanDerWaalsContact O-N 3.09Å; G218-Y221 WeakPolarHBondContact O-CB 3.28Å; G218-Y221 PolarHBondContact O-N 3.34Å; G218-V244 CarbonylContact C-O 3.6Å; G218-V244 WeakPolarHBondContact CA-O 3.47Å; G218-D250 PolarHBondContact N-OD2 3.48Å
219I97.1Very high95.6Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-51.9-32.9172-73163.3000111.1C213 Y221 Y222 L223 L241 V244 T245 V253 V291C213-I219 HydrophobicContact CB-CG1 4.32Å; I219-Y221 VanDerWaalsContact C-N 3.26Å; I219-Y221 PolarHBondContact O-N 2.87Å; I219-Y222 WeakPolarHBondContact O-CB 3.16Å; I219-Y222 PolarHBondContact O-N 2.75Å; I219-Y222 VanDerWaalsContact O-N 3.07Å; I219-L223 HydrophobicContact CG2-CD1 3.84Å; I219-L223 HydrophobicContact CG2-CG 3.98Å; I219-L223 PolarHBondContact O-N 3.37Å; I219-L241 HydrophobicContact CG2-CB 3.83Å; I219-L241 HydrophobicContact CG2-CD1 3.69Å; I219-L241 HydrophobicContact CG2-CG 4.43Å; I219-V244 WeakPolarHBondContact CG1-O 3.24Å; I219-V244 PolarHBondContact N-O 2.94Å; I219-T245 HydrophobicContact CD1-CG2 4.09Å; I219-V253 HydrophobicContact CB-CG1 3.91Å; I219-V253 HydrophobicContact CG2-CG1 3.78Å; I219-V291 HydrophobicContact CD1-CG2 4.23Å
220G95.4Very high95.6Very high0 Ų026.8 Ų26.80%013%0.131CC..Hα-helixtrans-62.2-27.6176.300000115G218 Y222 L223 E224 P251G218-G220 PolarHBondContact O-N 2.98Å; G218-G220 VanDerWaalsContact O-N 3.09Å; G220-Y222 PolarHBondContact O-N 3.32Å; G220-L223 PolarHBondContact O-N 3.37Å; G220-E224 PolarHBondContact O-N 2.92Å; G220-P251 VanDerWaalsContact CA-O 3.28Å; G220-P251 WeakPolarHBondContact CA-O 3.43Å
221Y95.9Very high95.5Very high13 Ų1322.6 Ų22.65%0.05111%0.108CC..Hα-helixtrans-56.7-35.6172.2178.4-96.4000112R141 F171 T175 R217 G218 I219 L225 D250R141-Y221 VanDerWaalsContact CD-CZ 3.44Å; R141-Y221 HydrophobicContact CG-CE1 4.47Å; R141-Y221 HydrophobicContact CG-CE2 4.11Å; R141-Y221 VanDerWaalsContact NE-CE2 3.32Å; R141-Y221 PolarHBondContact NH1-O 2.93Å; F171-Y221 AromaticContact CD2-CE1 3.77Å; F171-Y221 HydrophobicContact CD2-CE1 3.77Å; F171-Y221 HydrophobicContact CD2-CE2 4.32Å; F171-Y221 AromaticContact CD2-CZ 3.6Å; F171-Y221 HydrophobicContact CE2-CE1 4.42Å; F171-Y221 HydrophobicContact CE2-CE2 4.25Å; F171-Y221 AromaticContact CE2-CZ 3.78Å; F171-Y221 WeakPolarHBondContact CE2-OH 3.22Å; T175-Y221 VanDerWaalsContact OG1-CE1 3.31Å; T175-Y221 WeakPolarHBondContact OG1-CE1 3.33Å; R217-Y221 HydrophobicContact CB-CD1 4.35Å; R217-Y221 HydrophobicContact CB-CG 4.16Å; R217-Y221 HydrophobicContact CG-CG 4.47Å; G218-Y221 WeakPolarHBondContact O-CB 3.28Å; G218-Y221 PolarHBondContact O-N 3.34Å; I219-Y221 VanDerWaalsContact C-N 3.26Å; I219-Y221 PolarHBondContact O-N 2.87Å; Y221-L225 WeakPolarHBondContact O-CD1 3.48Å; Y221-D250 WeakPolarHBondContact CD2-OD1 3.49Å
222Y97.1Very high95.3Very high0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-90.7-40179.9-61.5-86.2000112.5F171 N174 L178 F211 C213 I219 G220 E224 L225 L226F171-Y222 WeakPolarHBondContact CA-OH 3.36Å; F171-Y222 PolarHBondContact O-OH 3.01Å; N174-Y222 HydrophobicContact CB-CE1 4.07Å; N174-Y222 WeakPolarHBondContact CB-OH 3.31Å; L178-Y222 HydrophobicContact CD2-CD1 3.79Å; L178-Y222 HydrophobicContact CD2-CG 4.23Å; F211-Y222 HydrophobicContact CE1-CD1 4.45Å; F211-Y222 HydrophobicContact CE1-CE1 4.42Å; C213-Y222 HydrophobicContact CB-CD2 3.56Å; C213-Y222 HydrophobicContact CB-CE2 3.44Å; C213-Y222 VanDerWaalsContact CB-CE2 3.44Å; C213-Y222 HydrophobicContact CB-CG 4.31Å; C213-Y222 WeakPolarHBondContact O-CE2 3.42Å; C213-Y222 PolarHBondContact O-OH 3.08Å; I219-Y222 WeakPolarHBondContact O-CB 3.16Å; I219-Y222 PolarHBondContact O-N 2.75Å; I219-Y222 VanDerWaalsContact O-N 3.07Å; G220-Y222 PolarHBondContact O-N 3.32Å; Y222-E224 PolarHBondContact O-N 3.22Å; Y222-L225 PolarHBondContact O-N 2.79Å; Y222-L225 VanDerWaalsContact O-N 3.15Å; Y222-L226 PolarHBondContact O-N 2.87Å
223L96.7Very high95.2Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-57.9-28.7172.2-74.6170.6000112.1I219 G220 L225 L226 C227 L241 V253 I256 L276 F293I219-L223 HydrophobicContact CG2-CD1 3.84Å; I219-L223 HydrophobicContact CG2-CG 3.98Å; I219-L223 PolarHBondContact O-N 3.37Å; G220-L223 PolarHBondContact O-N 3.37Å; L223-L225 PolarHBondContact O-N 2.94Å; L223-L226 HydrophobicContact CD2-CD1 4.44Å; L223-L226 CarbonylContact O-C 3.57Å; L223-L226 PolarHBondContact O-N 3.19Å; L223-C227 WeakPolarHBondContact O-CB 3.06Å; L223-C227 PolarHBondContact O-N 3.24Å; L223-C227 PolarHBondContact O-SG 3.38Å; L223-L241 HydrophobicContact CD2-CD1 3.53Å; L223-L241 HydrophobicContact CG-CD1 3.68Å; L223-V253 HydrophobicContact CD1-CB 4.41Å; L223-V253 HydrophobicContact CD1-CG1 3.87Å; L223-I256 HydrophobicContact CB-CD1 3.56Å; L223-I256 HydrophobicContact CD1-CD1 4.04Å; L223-I256 HydrophobicContact CG-CD1 4.47Å; L223-L276 HydrophobicContact CD1-CD1 3.99Å; L223-L276 HydrophobicContact CD1-CD2 3.87Å; L223-L276 HydrophobicContact CD2-CD1 3.85Å; L223-F293 HydrophobicContact CD2-CB 3.79Å; L223-F293 HydrophobicContact CD2-CD1 4.36Å; L223-F293 HydrophobicContact CD2-CG 4Å
224E95.7Very high95.1Very high6 Ų626.8 Ų26.83%0.02812%0.122CC..Hα-helixtrans-57.7-46.7174.2-178.3177.4149.500112.5R141 G220 Y222 L226 C227 Y228 W260 Y448R141-E224 IonicContact CZ-OE1 3.87Å; R141-E224 IonicContact CZ-OE2 2.76Å; R141-E224 VanDerWaalsContact NH1-CD 3.31Å; R141-E224 IonicContact NH1-OE1 2.59Å; R141-E224 IonicContact NH1-OE2 3.75Å; R141-E224 PolarHBondContact NH1-OE2 3.36Å; R141-E224 VanDerWaalsContact NH2-CD 3.33Å; R141-E224 IonicContact NH2-OE1 2.76Å; R141-E224 PolarHBondContact NH2-OE1 3.02Å; R141-E224 IonicContact NH2-OE2 2.74Å; R141-E224 PolarHBondContact NH2-OE2 2.65Å; G220-E224 PolarHBondContact O-N 2.92Å; Y222-E224 PolarHBondContact O-N 3.22Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 2.87Å; E224-C227 PolarHBondContact O-N 2.95Å; E224-Y228 HydrophobicContact CG-CD2 4.08Å; E224-Y228 HydrophobicContact CG-CE2 3.38Å; E224-Y228 VanDerWaalsContact O-CD2 3.27Å; E224-Y228 WeakPolarHBondContact O-CD2 3.33Å; E224-Y228 VanDerWaalsContact O-CG 3.3Å; E224-Y228 PolarHBondContact O-N 3.01Å; E224-Y228 VanDerWaalsContact O-N 3.1Å; E224-Y228 PolarHBondContact OE1-OH 3.39Å; E224-W260 HydrophobicContact CB-CH2 4Å; E224-W260 HydrophobicContact CB-CZ3 3.87Å; E224-W260 HydrophobicContact CG-CH2 3.81Å; E224-W260 HydrophobicContact CG-CZ3 3.95Å; E224-Y448 PolarHBondContact OE1-OH 2.75Å
225L96.4Very high95.2Very high3 Ų330.6 Ų30.62%0.01614%0.137CC..Hα-helixtrans-64.3-41.4174.3-70.685.6000111.2R141 V145 T175 I179 Y221 Y222 L223 Y228 L229R141-L225 HydrophobicContact CB-CD1 4.07Å; R141-L225 HydrophobicContact CG-CD1 3.91Å; V145-L225 HydrophobicContact CG2-CB 4.14Å; V145-L225 HydrophobicContact CG2-CD2 4.07Å; V145-L225 HydrophobicContact CG2-CG 3.8Å; T175-L225 HydrophobicContact CG2-CD1 4.11Å; T175-L225 HydrophobicContact CG2-CD2 3.51Å; T175-L225 HydrophobicContact CG2-CG 4.49Å; I179-L225 HydrophobicContact CD1-CD2 3.78Å; I179-L225 HydrophobicContact CG1-CD2 4.04Å; Y221-L225 WeakPolarHBondContact O-CD1 3.48Å; Y222-L225 PolarHBondContact O-N 2.79Å; Y222-L225 VanDerWaalsContact O-N 3.15Å; L223-L225 PolarHBondContact O-N 2.94Å; L225-Y228 PolarHBondContact O-N 3.13Å; L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.36Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.9Å
226L97.2Very high95.3Very high1 Ų127.9 Ų27.91%0.00513%0.132CC..Hα-helixtrans-64.8-39.9178.7-59.9-174.3000111.9L178 L182 Y222 L223 E224 L229 A230 L237 V239 L241 F293L178-L226 HydrophobicContact CD1-CD2 4.28Å; L178-L226 HydrophobicContact CD2-CD2 4.34Å; L178-L226 HydrophobicContact CD2-CG 4.43Å; L178-L226 HydrophobicContact CG-CD2 4.37Å; L182-L226 HydrophobicContact CD1-CD2 4.45Å; L182-L226 HydrophobicContact CD2-CD2 4.02Å; Y222-L226 PolarHBondContact O-N 2.87Å; L223-L226 HydrophobicContact CD2-CD1 4.44Å; L223-L226 CarbonylContact O-C 3.57Å; L223-L226 PolarHBondContact O-N 3.19Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 2.87Å; L226-L229 PolarHBondContact O-N 3.45Å; L226-A230 WeakPolarHBondContact O-CA 3.4Å; L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 3.11Å; L226-L237 HydrophobicContact CB-CD2 4.47Å; L226-L237 HydrophobicContact CD2-CD2 4.45Å; L226-V239 HydrophobicContact CD1-CB 4.19Å; L226-V239 HydrophobicContact CD1-CG1 4.13Å; L226-V239 HydrophobicContact CD1-CG2 4.29Å; L226-L241 HydrophobicContact CD1-CD1 4.08Å; L226-F293 HydrophobicContact CB-CD1 3.92Å; L226-F293 HydrophobicContact CB-CE1 3.77Å; L226-F293 HydrophobicContact CD1-CD1 4.1Å
227C97Very high95.6Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-65-39.8177.2-67.80000111.8L223 E224 W260 M264 L425 F429L223-C227 WeakPolarHBondContact O-CB 3.06Å; L223-C227 PolarHBondContact O-N 3.24Å; L223-C227 PolarHBondContact O-SG 3.38Å; E224-C227 PolarHBondContact O-N 2.95Å; C227-W260 HydrophobicContact CB-CE3 4.3Å; C227-M264 HydrophobicContact CB-CE 4.43Å; C227-M264 HydrophobicContact CB-SD 4.04Å; C227-L425 HydrophobicContact CB-CD1 4.48Å; C227-F429 WeakPolarHBondContact O-CZ 3.44Å
228Y96.6Very high95.8Very high2 Ų222.4 Ų22.41%0.00811%0.112CC..Hα-helixtrans-67.9-36.2175.3-65.3-29.4000113.3V145 E224 L225 F232 C424 L425 L428V145-Y228 HydrophobicContact CB-CD2 4.48Å; V145-Y228 HydrophobicContact CG1-CD2 3.97Å; V145-Y228 HydrophobicContact CG1-CG 4.16Å; V145-Y228 HydrophobicContact CG2-CD2 4.11Å; E224-Y228 HydrophobicContact CG-CD2 4.08Å; E224-Y228 HydrophobicContact CG-CE2 3.38Å; E224-Y228 VanDerWaalsContact O-CD2 3.27Å; E224-Y228 WeakPolarHBondContact O-CD2 3.33Å; E224-Y228 VanDerWaalsContact O-CG 3.3Å; E224-Y228 PolarHBondContact O-N 3.01Å; E224-Y228 VanDerWaalsContact O-N 3.1Å; E224-Y228 PolarHBondContact OE1-OH 3.39Å; L225-Y228 PolarHBondContact O-N 3.13Å; Y228-F232 WeakPolarHBondContact O-CD2 3.48Å; Y228-F232 WeakPolarHBondContact O-CE2 3.37Å; Y228-C424 WeakPolarHBondContact OH-CB 3.47Å; Y228-L425 HydrophobicContact CD1-CB 4.44Å; Y228-L425 HydrophobicContact CD1-CD1 3.58Å; Y228-L425 HydrophobicContact CE1-CB 3.85Å; Y228-L425 HydrophobicContact CE1-CD1 3.85Å; Y228-L425 HydrophobicContact CE1-CG 4.45Å; Y228-L428 HydrophobicContact CD1-CD2 3.68Å; Y228-L428 HydrophobicContact CG-CD2 3.72Å
229L96.4Very high95.9Very high1 Ų122.3 Ų22.31%0.00511%0.111CC..Hα-helixtrans-96.6-26.7-171.3-63.8172.3000114.2V145 L148 L149 L182 L204 L225 L226 F232V145-L229 HydrophobicContact CB-CD2 4.48Å; V145-L229 HydrophobicContact CG1-CD2 4.04Å; V145-L229 HydrophobicContact CG1-CG 4.43Å; V145-L229 HydrophobicContact CG2-CD1 4.23Å; V145-L229 HydrophobicContact CG2-CD2 4.47Å; V145-L229 HydrophobicContact CG2-CG 4.25Å; L148-L229 HydrophobicContact CB-CD2 4.06Å; L148-L229 HydrophobicContact CD1-CD1 3.62Å; L148-L229 HydrophobicContact CD1-CD2 4.12Å; L149-L229 HydrophobicContact CD1-CD2 4.18Å; L149-L229 HydrophobicContact CD2-CD2 3.96Å; L149-L229 HydrophobicContact CG-CD2 3.86Å; L182-L229 HydrophobicContact CD2-CB 3.96Å; L182-L229 HydrophobicContact CD2-CD1 3.69Å; L182-L229 HydrophobicContact CD2-CG 4.49Å; L204-L229 HydrophobicContact CD1-CD2 4.04Å; L204-L229 HydrophobicContact CD2-CB 4.13Å; L204-L229 HydrophobicContact CD2-CD1 4.24Å; L204-L229 HydrophobicContact CD2-CD2 4.13Å; L204-L229 HydrophobicContact CD2-CG 4.4Å; L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.36Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.9Å; L226-L229 PolarHBondContact O-N 3.45Å; L229-F232 PolarHBondContact O-N 3.45Å
230A96Very high96Very high1 Ų123.8 Ų23.81%0.00812%0.12CC..G310 helixtrans-51.8-40.3-17600000115.8L226 F232 C233 L237 F293L226-A230 WeakPolarHBondContact O-CA 3.4Å; L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 3.11Å; A230-F232 PolarHBondContact O-N 2.93Å; A230-F232 VanDerWaalsContact O-N 3.14Å; A230-C233 PolarHBondContact O-N 3.27Å; A230-L237 HydrophobicContact CB-CD2 3.91Å; A230-F293 HydrophobicContact CB-CE1 4.07Å; A230-F293 HydrophobicContact CB-CZ 4.17Å
231P94Very high96.1Very high7 Ų723.9 Ų23.95%0.04512%0.12CC..G310 helixtrans-64.8-18.9178.9-11.121.8000113.6Y268 C298 L301 F429P231-Y268 HydrophobicContact CB-CE2 4.13Å; P231-Y268 HydrophobicContact CG-CE2 3.81Å; P231-Y268 WeakPolarHBondContact CG-OH 3.41Å; P231-C298 HydrophobicContact CB-CB 3.85Å; P231-C298 WeakPolarHBondContact O-CB 3.47Å; P231-L301 HydrophobicContact CB-CD2 3.93Å; P231-L301 HydrophobicContact CB-CG 4.5Å; P231-L301 HydrophobicContact CG-CD2 4.34Å; P231-F429 HydrophobicContact CG-CE1 3.77Å; P231-F429 HydrophobicContact CG-CE2 4.14Å; P231-F429 HydrophobicContact CG-CZ 3.42Å; P231-F429 VanDerWaalsContact CG-CZ 3.42Å
232F94Very high96.2Very high63 Ų6325.6 Ų25.628%0.27613%0.129SC..G310 helixtrans-105.24.1-172.7-50.8-78.3000112.9L149 L204 Y228 L229 A230 L301 F429 L432L149-F232 HydrophobicContact CD1-CE2 4.39Å; L149-F232 HydrophobicContact CD2-CB 3.91Å; L149-F232 HydrophobicContact CD2-CD1 4.29Å; L149-F232 HydrophobicContact CD2-CD2 3.33Å; L149-F232 HydrophobicContact CD2-CE2 3.86Å; L149-F232 HydrophobicContact CD2-CG 3.57Å; L204-F232 HydrophobicContact CD1-CB 3.8Å; Y228-F232 WeakPolarHBondContact O-CD2 3.48Å; Y228-F232 WeakPolarHBondContact O-CE2 3.37Å; L229-F232 PolarHBondContact O-N 3.45Å; A230-F232 PolarHBondContact O-N 2.93Å; A230-F232 VanDerWaalsContact O-N 3.14Å; F232-L301 HydrophobicContact CE1-CD1 3.97Å; F232-L301 HydrophobicContact CE2-CD1 4.47Å; F232-L301 HydrophobicContact CZ-CD1 3.54Å; F232-F429 HydrophobicContact CE2-CE1 4.32Å; F232-L432 HydrophobicContact CE1-CB 3.99Å; F232-L432 HydrophobicContact CE1-CD1 4.02Å; F232-L432 HydrophobicContact CE2-CD1 3.95Å; F232-L432 HydrophobicContact CZ-CB 3.74Å; F232-L432 HydrophobicContact CZ-CD1 3.43Å; F232-L432 VanDerWaalsContact CZ-CD1 3.43Å; F232-L432 HydrophobicContact CZ-CG 4.22Å
233C94.6Very high96.1Very high5 Ų525.9 Ų25.93%0.03413%0.132CC..  trans-76.5139.2174.6-70.20000111.6A230A230-C233 PolarHBondContact O-N 3.27Å
234K93.3Very high96.1Very high143 Ų14325.9 Ų25.962%0.62213%0.132SC*.SBendtrans-72-30.8179.2-68.5177.8179.7-179.90114L204 T205L204-K234 PolarHBondContact O-N 2.81Å; T205-K234 PolarHBondContact O-N 2.94Å
235M94.7Very high96Very high95 Ų9525.6 Ų25.647%0.46813%0.131SC..SBendtrans-113.4152.7178.4-60.1-172.3-60.800109.7T205 G206 V297T205-M235 WeakPolarHBondContact O-CB 3.48Å; T205-M235 PolarHBondContact O-N 3.04Å; G206-M235 WeakPolarHBondContact O-CE 3.24Å; M235-V297 VanDerWaalsContact C-CG2 3.48Å
236P95.3Very high95.7Very high67 Ų6725.6 Ų25.644%0.43513%0.131SC..  trans-58.9142.517526.8-34.9000109.9G207 S295 V297G207-P236 CarbonylContact C-O 3.52Å; G207-P236 WeakPolarHBondContact CA-O 3.37Å; G207-P236 PolarHBondContact N-O 3.44Å; P236-S295 WeakPolarHBondContact CA-O 3.21Å; P236-V297 HydrophobicContact CB-CG2 4.39Å; P236-V297 VanDerWaalsContact N-CG2 3.33Å
237L96.3Very high95.2Very high1 Ų126.1 Ų26.11%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-99.8123.7-175.5-173.764.8000108.8L182 G207 F209 L226 A230 V239 F293 S294 S295L182-L237 HydrophobicContact CD1-CD1 3.49Å; L182-L237 VanDerWaalsContact CD1-CD1 3.49Å; L182-L237 HydrophobicContact CD1-CD2 4.26Å; G207-L237 WeakPolarHBondContact O-CA 3.27Å; F209-L237 HydrophobicContact CE1-CD1 4.13Å; L226-L237 HydrophobicContact CB-CD2 4.47Å; L226-L237 HydrophobicContact CD2-CD2 4.45Å; A230-L237 HydrophobicContact CB-CD2 3.91Å; L237-V239 HydrophobicContact CD1-CG2 3.44Å; L237-V239 VanDerWaalsContact CD1-CG2 3.44Å; L237-V239 HydrophobicContact CD2-CG2 4.43Å; L237-V239 HydrophobicContact CG-CG2 3.76Å; L237-F293 HydrophobicContact CD2-CD1 4.08Å; L237-F293 HydrophobicContact CD2-CE1 3.81Å; L237-S294 CarbonylContact O-C 3.53Å; L237-S294 VanDerWaalsContact O-CA 3.28Å; L237-S294 WeakPolarHBondContact O-CA 3.49Å; L237-S295 PolarHBondContact N-O 3.01Å; L237-S295 PolarHBondContact O-N 3.16Å
238N97.4Very high94.4Very high61 Ų6131.4 Ų31.433%0.32617%0.171SC..EExtended strand (participates in β ladder)trans-135.189.1175.4-67.6-72000109.3G207 S208 F209 F293 S294G207-N238 PolarHBondContact O-N 2.9Å; S208-N238 VanDerWaalsContact CA-O 3.28Å; S208-N238 WeakPolarHBondContact CA-O 3.09Å; F209-N238 PolarHBondContact N-O 3.14Å; N238-F293 CarbonylContact C-O 3.49Å; N238-F293 WeakPolarHBondContact CA-O 3.37Å; N238-S294 WeakPolarHBondContact OD1-CB 3.41Å; N238-S294 PolarHBondContact OD1-OG 3Å
239V97.8Very high93.7Very high0 Ų034.8 Ų34.80%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3129-171.9-177.50000110.4F209 L226 L237 L241 V292 F293F209-V239 HydrophobicContact CD1-CG2 4.13Å; F209-V239 HydrophobicContact CD2-CG1 3.96Å; F209-V239 HydrophobicContact CD2-CG2 4.32Å; F209-V239 HydrophobicContact CE1-CG2 3.63Å; F209-V239 HydrophobicContact CE2-CB 4.38Å; F209-V239 HydrophobicContact CE2-CG1 3.56Å; F209-V239 HydrophobicContact CE2-CG2 3.83Å; F209-V239 HydrophobicContact CG-CG2 4.45Å; F209-V239 HydrophobicContact CZ-CB 4.45Å; F209-V239 HydrophobicContact CZ-CG1 4.05Å; F209-V239 HydrophobicContact CZ-CG2 3.47Å; F209-V239 VanDerWaalsContact CZ-CG2 3.47Å; F209-V239 WeakPolarHBondContact O-CA 3.4Å; L226-V239 HydrophobicContact CD1-CB 4.19Å; L226-V239 HydrophobicContact CD1-CG1 4.13Å; L226-V239 HydrophobicContact CD1-CG2 4.29Å; L237-V239 HydrophobicContact CD1-CG2 3.44Å; L237-V239 VanDerWaalsContact CD1-CG2 3.44Å; L237-V239 HydrophobicContact CD2-CG2 4.43Å; L237-V239 HydrophobicContact CG-CG2 3.76Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.88Å; V239-V292 CarbonylContact O-C 3.54Å; V239-V292 WeakPolarHBondContact O-CA 3.39Å; V239-F293 PolarHBondContact N-O 3.45Å; V239-F293 PolarHBondContact O-N 3.09Å
240V98.3Very high93.4Very high31 Ų3135.2 Ų35.219%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-95.4118.3168.7-173.20000107.9F209 D210 F211 K290 V291 V292F209-V240 PolarHBondContact O-N 3.49Å; D210-V240 CarbonylContact C-O 3.57Å; D210-V240 WeakPolarHBondContact CA-O 3.33Å; D210-V240 HydrophobicContact CB-CB 4.25Å; D210-V240 WeakPolarHBondContact OD2-CB 3.36Å; D210-V240 WeakPolarHBondContact OD2-CG1 3.36Å; F211-V240 PolarHBondContact N-O 3.14Å; V240-K290 HydrophobicContact CG1-CD 4.4Å; V240-K290 VanDerWaalsContact CG1-CE 3.5Å; V240-K290 HydrophobicContact CG1-CG 4.01Å; V240-V291 CarbonylContact C-O 3.53Å; V240-V291 WeakPolarHBondContact CA-O 3.48Å; V240-V292 HydrophobicContact CG2-CG2 4.27Å
241L98Very high93.3Very high1 Ų136.2 Ų36.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-109.3129.2178.2-62.4-178.4000110.4F211 I219 L223 L226 V239 K290 V291F211-L241 HydrophobicContact CB-CD2 3.95Å; F211-L241 HydrophobicContact CD1-CD2 4.16Å; F211-L241 HydrophobicContact CG-CD2 4.49Å; F211-L241 WeakPolarHBondContact O-CA 3.18Å; I219-L241 HydrophobicContact CG2-CB 3.83Å; I219-L241 HydrophobicContact CG2-CD1 3.69Å; I219-L241 HydrophobicContact CG2-CG 4.43Å; L223-L241 HydrophobicContact CD2-CD1 3.53Å; L223-L241 HydrophobicContact CG-CD1 3.68Å; L226-L241 HydrophobicContact CD1-CD1 4.08Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.88Å; L241-K290 WeakPolarHBondContact O-CA 3.22Å; L241-V291 PolarHBondContact N-O 3.27Å; L241-V291 PolarHBondContact O-N 2.89Å
242H97.3Very high93.2Very high50 Ų5035.9 Ų35.923%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-108.9152.9171.7-53-97.8000111D210 F211 C213 G289D210-H242 IonicContact OD1-CD2 2.68Å; D210-H242 PolarHBondContact OD1-CD2 2.86Å; D210-H242 IonicContact OD1-NE2 3.84Å; D210-H242 PolarHBondContact OD1-NE2 3.17Å; D210-H242 IonicContact OD2-CD2 2.73Å; D210-H242 IonicContact OD2-CE1 2.67Å; D210-H242 IonicContact OD2-NE2 2.74Å; D210-H242 PolarHBondContact OD2-NE2 2.84Å; F211-H242 PolarHBondContact O-N 3.38Å; C213-H242 WeakPolarHBondContact CB-O 3.32Å; C213-H242 PolarHBondContact N-O 2.87Å; C213-H242 PolarHBondContact SG-O 3.17Å; H242-G289 VanDerWaalsContact CA-O 3.27Å; H242-G289 WeakPolarHBondContact CA-O 3.47Å
243G95.8Very high93.3Very high6 Ų632.9 Ų32.96%0.06220%0.2CC..EExtended strand (participates in β ladder)trans145.3-139.5178.200000113.5G214 G288 G289G214-G243 WeakPolarHBondContact O-CA 3.11Å; G243-G288 PolarHBondContact O-N 3.06Å; G243-G289 PolarHBondContact N-O 2.99Å; G243-G289 VanDerWaalsContact N-O 3.08Å; G243-G289 WeakPolarHBondContact O-CA 3.41Å; G243-G289 PolarHBondContact O-N 3.48Å
244V95.3Very high93.4Very high0 Ų032.7 Ų32.70%020%0.199CC..BIsolated β-bridgetrans-98.4125.2176.2173.20000109.9G218 I219 N246 C247 G282 M284G218-V244 CarbonylContact C-O 3.6Å; G218-V244 WeakPolarHBondContact CA-O 3.47Å; I219-V244 WeakPolarHBondContact CG1-O 3.24Å; I219-V244 PolarHBondContact N-O 2.94Å; V244-N246 WeakPolarHBondContact CG1-O 3.32Å; V244-C247 HydrophobicContact CG1-CB 4.31Å; V244-G282 CarbonylContact C-O 3.52Å; V244-G282 WeakPolarHBondContact CA-O 3.24Å; V244-M284 HydrophobicContact CG1-CG 4.07Å; V244-M284 HydrophobicContact CG2-CG 4.1Å
245T95Very high93.5Very high0 Ų026.4 Ų26.40%017%0.172CC..SBendtrans-76.7-32-177.649.20000114.3I219 V253 G282 V291I219-T245 HydrophobicContact CD1-CG2 4.09Å; T245-V253 HydrophobicContact CG2-CG2 4.11Å; T245-V253 WeakPolarHBondContact O-CG1 3.49Å; T245-V253 PolarHBondContact O-N 3.28Å; T245-G282 PolarHBondContact N-O 2.95Å; T245-G282 PolarHBondContact OG1-N 3.32Å; T245-G282 VanDerWaalsContact OG1-N 3.13Å; T245-G282 PolarHBondContact OG1-O 2.92Å; T245-V291 HydrophobicContact CG2-CG2 3.95Å
246N89.8Confident93.6Very high3 Ų321.9 Ų21.92%0.01615%0.149CC..SBendtrans-137.2124.7-174.6-51.975.2000108V244 S252 D254 F283 Y320 M384V244-N246 WeakPolarHBondContact CG1-O 3.32Å; N246-S252 WeakPolarHBondContact ND2-CB 3.49Å; N246-D254 PolarHBondContact ND2-OD2 2.89Å; N246-F283 HydrophobicContact CB-CE1 4.11Å; N246-Y320 PolarHBondContact ND2-OH 3.21Å; N246-M384 HydrophobicContact CB-CE 3.77Å; N246-M384 HydrophobicContact CB-SD 3.71Å
247C86.6Confident93.6Very high12 Ų1221.1 Ų21.18%0.08114%0.139CC..  trans-139.3149.4-177.7-173.50000110V244 G249 D250 M284V244-C247 HydrophobicContact CG1-CB 4.31Å; C247-G249 PolarHBondContact O-N 2.94Å; C247-D250 HydrophobicContact CB-CB 4.48Å; C247-M284 VanDerWaalsContact SG-SD 3.65Å
248S79.8Confident93.6Very high110 Ų11024 Ų2477%0.76915%0.152SC*.THydrogen-bonded Turntrans-69.1112.6178165.20000111.3
249G83.2Confident93.4Very high73 Ų7321.4 Ų21.475%0.75314%0.139SC*.THydrogen-bonded Turntrans97.4-3.517400000115.3C247C247-G249 PolarHBondContact O-N 2.94Å
250D90.1Very high93.4Very high11 Ų1121.6 Ų21.66%0.05914%0.14CC..SBendtrans-101.7149.6164.2-72.1-41.1000109.6R217 G218 Y221 C247 S252R217-D250 WeakPolarHBondContact CB-OD2 3.39Å; R217-D250 IonicContact CZ-OD1 3.4Å; R217-D250 IonicContact CZ-OD2 2.94Å; R217-D250 IonicContact NE-OD1 2.92Å; R217-D250 PolarHBondContact NE-OD1 3.28Å; R217-D250 IonicContact NE-OD2 3.95Å; R217-D250 PolarHBondContact NE-OD2 2.83Å; R217-D250 IonicContact NH2-OD1 3.32Å; R217-D250 PolarHBondContact NH2-OD1 3.48Å; R217-D250 IonicContact NH2-OD2 2.95Å; G218-D250 PolarHBondContact N-OD2 3.48Å; Y221-D250 WeakPolarHBondContact CD2-OD1 3.49Å; C247-D250 HydrophobicContact CB-CB 4.48Å; D250-S252 PolarHBondContact O-N 2.92Å
251P92.3Very high93.3Very high21 Ų2120.1 Ų20.114%0.13613%0.131CC..PPolyproline II helixtrans-60.1138.1167.927.6-34.2000109.1G220 L255 I256 W260G220-P251 VanDerWaalsContact CA-O 3.28Å; G220-P251 WeakPolarHBondContact CA-O 3.43Å; P251-L255 HydrophobicContact CB-CD2 3.97Å; P251-I256 HydrophobicContact CB-CD1 4.31Å; P251-I256 HydrophobicContact CB-CG1 4.22Å; P251-I256 HydrophobicContact CG-CD1 4.27Å; P251-W260 HydrophobicContact CB-CH2 4.04Å; P251-W260 HydrophobicContact CB-CZ2 4.04Å; P251-W260 HydrophobicContact CG-CH2 3.83Å; P251-W260 HydrophobicContact CG-CZ2 4.29Å
252S93.4Very high93.1Very high1 Ų121.1 Ų21.11%0.00714%0.137CC..PPolyproline II helixtrans-81.1163.9175.583.10000113.6N246 D250 D254 L255 I256 E382N246-S252 WeakPolarHBondContact ND2-CB 3.49Å; D250-S252 PolarHBondContact O-N 2.92Å; S252-D254 PolarHBondContact O-N 3.13Å; S252-D254 PolarHBondContact OG-N 2.9Å; S252-L255 PolarHBondContact O-N 2.96Å; S252-L255 PolarHBondContact OG-N 3.19Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 3.02Å; S252-E382 VanDerWaalsContact CB-CD 3.5Å; S252-E382 WeakPolarHBondContact CB-OE1 3.35Å; S252-E382 WeakPolarHBondContact CB-OE2 3.23Å; S252-E382 PolarHBondContact N-OE1 2.97Å; S252-E382 PolarHBondContact OG-OE1 3.38Å; S252-E382 PolarHBondContact OG-OE2 3.47Å
253V96.2Very high93Very high0 Ų019.2 Ų19.20%013%0.129CC..Hα-helixtrans-60.7-31173-600000112.3I219 L223 T245 K257 L276 I278 V291I219-V253 HydrophobicContact CB-CG1 3.91Å; I219-V253 HydrophobicContact CG2-CG1 3.78Å; L223-V253 HydrophobicContact CD1-CB 4.41Å; L223-V253 HydrophobicContact CD1-CG1 3.87Å; T245-V253 HydrophobicContact CG2-CG2 4.11Å; T245-V253 WeakPolarHBondContact O-CG1 3.49Å; T245-V253 PolarHBondContact O-N 3.28Å; V253-K257 WeakPolarHBondContact O-CB 3.28Å; V253-K257 PolarHBondContact O-N 3.39Å; V253-K257 VanDerWaalsContact O-N 3.12Å; V253-L276 VanDerWaalsContact O-CD2 3.26Å; V253-L276 WeakPolarHBondContact O-CD2 3.43Å; V253-I278 HydrophobicContact CB-CD1 4.45Å; V253-I278 HydrophobicContact CB-CG1 4.45Å; V253-I278 HydrophobicContact CG2-CD1 3.68Å; V253-I278 HydrophobicContact CG2-CG1 3.95Å; V253-V291 HydrophobicContact CB-CG2 4.41Å; V253-V291 HydrophobicContact CG1-CG2 4.04Å
254D95.3Very high93Very high1 Ų118.9 Ų18.91%0.00513%0.126CC..Hα-helixtrans-74.1-44.6176.3-63.3-86.3000110.7N246 S252 I256 K257 F258 I278 R281 L368N246-D254 PolarHBondContact ND2-OD2 2.89Å; S252-D254 PolarHBondContact O-N 3.13Å; S252-D254 PolarHBondContact OG-N 2.9Å; D254-I256 VanDerWaalsContact C-N 3.33Å; D254-I256 PolarHBondContact O-N 2.89Å; D254-K257 WeakPolarHBondContact O-CB 3.29Å; D254-K257 PolarHBondContact O-N 3.34Å; D254-K257 VanDerWaalsContact O-N 3.11Å; D254-F258 HydrophobicContact CB-CD2 4.47Å; D254-F258 WeakPolarHBondContact O-CD2 3.32Å; D254-F258 PolarHBondContact O-N 2.75Å; D254-I278 VanDerWaalsContact OD1-CD1 3.26Å; D254-I278 WeakPolarHBondContact OD1-CD1 3.41Å; D254-R281 IonicContact OD1-CZ 2.91Å; D254-R281 IonicContact OD1-NH1 3.06Å; D254-R281 IonicContact OD1-NH2 3.3Å; D254-R281 PolarHBondContact OD1-NH2 3.49Å; D254-R281 IonicContact OD2-CZ 2.7Å; D254-R281 IonicContact OD2-NH1 3.61Å; D254-R281 PolarHBondContact OD2-NH1 3.3Å; D254-R281 IonicContact OD2-NH2 2.72Å; D254-L368 HydrophobicContact CB-CD1 3.99Å; D254-L368 HydrophobicContact CB-CD2 4.15Å
255L95.3Very high93.1Very high11 Ų1123.4 Ų23.46%0.05814%0.143CC..Hα-helixtrans-59.5-43.5176.9-179.8154.4000111.7P251 S252 G259 W260 I380 T421P251-L255 HydrophobicContact CB-CD2 3.97Å; S252-L255 PolarHBondContact O-N 2.96Å; S252-L255 PolarHBondContact OG-N 3.19Å; L255-G259 WeakPolarHBondContact O-CA 3.47Å; L255-G259 PolarHBondContact O-N 2.89Å; L255-W260 HydrophobicContact CD2-CZ2 4.43Å; L255-I380 HydrophobicContact CB-CG2 4.21Å; L255-I380 HydrophobicContact CD1-CG2 4.31Å; L255-I380 HydrophobicContact CG-CB 4.46Å; L255-I380 HydrophobicContact CG-CG2 3.99Å; L255-T421 HydrophobicContact CD1-CG2 4.06Å; L255-T421 HydrophobicContact CD2-CG2 4.44Å
256I96.7Very high93Very high0 Ų026.5 Ų26.50%015%0.154CC..Iπ-helixtrans-63-43.4174.5-64.6176.6000110.6L223 P251 S252 D254 F258 W260 L261 L276L223-I256 HydrophobicContact CB-CD1 3.56Å; L223-I256 HydrophobicContact CD1-CD1 4.04Å; L223-I256 HydrophobicContact CG-CD1 4.47Å; P251-I256 HydrophobicContact CB-CD1 4.31Å; P251-I256 HydrophobicContact CB-CG1 4.22Å; P251-I256 HydrophobicContact CG-CD1 4.27Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 3.02Å; D254-I256 VanDerWaalsContact C-N 3.33Å; D254-I256 PolarHBondContact O-N 2.89Å; I256-F258 PolarHBondContact O-N 3.05Å; I256-W260 HydrophobicContact CB-CE3 4.29Å; I256-W260 HydrophobicContact CD1-CE3 4.1Å; I256-W260 HydrophobicContact CD1-CH2 4.49Å; I256-W260 HydrophobicContact CD1-CZ3 3.86Å; I256-W260 HydrophobicContact CG1-CD2 3.97Å; I256-W260 HydrophobicContact CG1-CE3 3.63Å; I256-W260 HydrophobicContact CG1-CH2 4.37Å; I256-W260 HydrophobicContact CG1-CZ3 3.81Å; I256-W260 HydrophobicContact CG2-CB 4.28Å; I256-W260 HydrophobicContact CG2-CE3 4.03Å; I256-W260 WeakPolarHBondContact O-CB 3.44Å; I256-W260 PolarHBondContact O-N 3.37Å; I256-W260 VanDerWaalsContact O-N 3.16Å; I256-L261 PolarHBondContact O-N 2.83Å; I256-L276 HydrophobicContact CB-CD2 4.15Å; I256-L276 HydrophobicContact CG2-CD2 3.92Å
257K96.6Very high93.2Very high51 Ų5126.3 Ų26.322%0.22215%0.154CC..Iπ-helixtrans-60.5-45.4179.2-176.3171.7-176136.40113.2V253 D254 D275 L276V253-K257 WeakPolarHBondContact O-CB 3.28Å; V253-K257 PolarHBondContact O-N 3.39Å; V253-K257 VanDerWaalsContact O-N 3.12Å; D254-K257 WeakPolarHBondContact O-CB 3.29Å; D254-K257 PolarHBondContact O-N 3.34Å; D254-K257 VanDerWaalsContact O-N 3.11Å; K257-D275 IonicContact NZ-OD1 2.9Å; K257-L276 HydrophobicContact CB-CB 4.39Å; K257-L276 HydrophobicContact CB-CD2 4.15Å; K257-L276 VanDerWaalsContact CD-O 3.32Å; K257-L276 WeakPolarHBondContact CD-O 3.37Å; K257-L276 WeakPolarHBondContact CE-O 3.2Å; K257-L276 HydrophobicContact CG-CB 4.46Å; K257-L276 PolarHBondContact NZ-O 3.03Å
258F95.1Very high93.5Very high61 Ų6125.8 Ų25.827%0.26815%0.15SC..Iπ-helixtrans-100.7-21.8-169.6-65-71000114.5D254 I256 P262 I318 L368 I380D254-F258 HydrophobicContact CB-CD2 4.47Å; D254-F258 WeakPolarHBondContact O-CD2 3.32Å; D254-F258 PolarHBondContact O-N 2.75Å; I256-F258 PolarHBondContact O-N 3.05Å; F258-P262 WeakPolarHBondContact O-CG 3.49Å; F258-I318 HydrophobicContact CD2-CD1 4.2Å; F258-I318 HydrophobicContact CE1-CD1 4.32Å; F258-I318 HydrophobicContact CE2-CD1 3.31Å; F258-I318 HydrophobicContact CZ-CD1 3.39Å; F258-L368 HydrophobicContact CB-CD2 4.33Å; F258-L368 HydrophobicContact CD2-CD2 3.44Å; F258-L368 VanDerWaalsContact CD2-CD2 3.44Å; F258-L368 HydrophobicContact CE2-CD2 4.06Å; F258-L368 HydrophobicContact CG-CD2 4.1Å; F258-I380 HydrophobicContact CB-CD1 3.91Å
259G93.7Very high93.8Very high6 Ų622 Ų226%0.06213%0.125CC..Iπ-helixtrans-99.7-54.3174.600000112.6L255L255-G259 WeakPolarHBondContact O-CA 3.47Å; L255-G259 PolarHBondContact O-N 2.89Å
260W96.8Very high94.1Very high5 Ų523.4 Ų23.42%0.01912%0.116CC..Iπ-helixtrans-79-45.2-169.9-65.410.4000112.9E224 C227 P251 L255 I256 L263 M264 T421 L425E224-W260 HydrophobicContact CB-CH2 4Å; E224-W260 HydrophobicContact CB-CZ3 3.87Å; E224-W260 HydrophobicContact CG-CH2 3.81Å; E224-W260 HydrophobicContact CG-CZ3 3.95Å; C227-W260 HydrophobicContact CB-CE3 4.3Å; P251-W260 HydrophobicContact CB-CH2 4.04Å; P251-W260 HydrophobicContact CB-CZ2 4.04Å; P251-W260 HydrophobicContact CG-CH2 3.83Å; P251-W260 HydrophobicContact CG-CZ2 4.29Å; L255-W260 HydrophobicContact CD2-CZ2 4.43Å; I256-W260 HydrophobicContact CB-CE3 4.29Å; I256-W260 HydrophobicContact CD1-CE3 4.1Å; I256-W260 HydrophobicContact CD1-CH2 4.49Å; I256-W260 HydrophobicContact CD1-CZ3 3.86Å; I256-W260 HydrophobicContact CG1-CD2 3.97Å; I256-W260 HydrophobicContact CG1-CE3 3.63Å; I256-W260 HydrophobicContact CG1-CH2 4.37Å; I256-W260 HydrophobicContact CG1-CZ3 3.81Å; I256-W260 HydrophobicContact CG2-CB 4.28Å; I256-W260 HydrophobicContact CG2-CE3 4.03Å; I256-W260 WeakPolarHBondContact O-CB 3.44Å; I256-W260 PolarHBondContact O-N 3.37Å; I256-W260 VanDerWaalsContact O-N 3.16Å; W260-L263 WeakPolarHBondContact O-CB 3.35Å; W260-L263 PolarHBondContact O-N 3.39Å; W260-L263 VanDerWaalsContact O-N 3.08Å; W260-M264 WeakPolarHBondContact O-CG 3.3Å; W260-M264 PolarHBondContact O-N 3.3Å; W260-T421 WeakPolarHBondContact CZ2-O 3.45Å; W260-T421 PolarHBondContact NE1-OG1 2.89Å; W260-T421 VanDerWaalsContact NE1-OG1 3.09Å; W260-L425 HydrophobicContact CB-CD2 3.64Å; W260-L425 HydrophobicContact CD2-CD2 4.13Å; W260-L425 HydrophobicContact CE3-CD2 4.33Å; W260-L425 HydrophobicContact CG-CD2 3.86Å
261L96.7Very high94.1Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-59.7-42.7179.9-58.8-170.5000113.3I256 L263 M264 R265 L274 L276 F293I256-L261 PolarHBondContact O-N 2.83Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 3.22Å; L261-M264 HydrophobicContact CD2-SD 3.75Å; L261-M264 PolarHBondContact O-N 2.93Å; L261-R265 VanDerWaalsContact O-CG 3.31Å; L261-R265 WeakPolarHBondContact O-CG 3.34Å; L261-R265 PolarHBondContact O-N 2.86Å; L261-L274 HydrophobicContact CD2-CD1 4.21Å; L261-L274 HydrophobicContact CD2-CG 4.28Å; L261-L276 HydrophobicContact CD1-CB 3.81Å; L261-F293 HydrophobicContact CD2-CE2 4.14Å
262P95.1Very high94.1Very high21 Ų2130.6 Ų30.614%0.13615%0.151CC..Hα-helixtrans-59.9-35.1173.5-27.838.7000113.9F258 F378F258-P262 WeakPolarHBondContact O-CG 3.49Å; P262-F378 HydrophobicContact CB-CD2 3.53Å; P262-F378 HydrophobicContact CB-CE2 3.62Å; P262-F378 HydrophobicContact CB-CG 4.39Å; P262-F378 HydrophobicContact CG-CD2 4.05Å; P262-F378 HydrophobicContact CG-CE2 4.14Å; P262-F378 HydrophobicContact CG-CG 4.49Å
263L95Very high94Very high10 Ų1032.9 Ų32.95%0.05217%0.174CC..Hα-helixtrans-67.5-47.2172.417965.6000111.3W260 L261 R265 R266 F267 C418 A422 L425 A426W260-L263 WeakPolarHBondContact O-CB 3.35Å; W260-L263 PolarHBondContact O-N 3.39Å; W260-L263 VanDerWaalsContact O-N 3.08Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 3.22Å; L263-R265 VanDerWaalsContact C-N 3.29Å; L263-R265 PolarHBondContact O-N 3.03Å; L263-R266 WeakPolarHBondContact O-CB 3.21Å; L263-R266 PolarHBondContact O-N 2.72Å; L263-F267 HydrophobicContact CD1-CE2 3.98Å; L263-F267 HydrophobicContact CG-CE2 4.17Å; L263-F267 WeakPolarHBondContact O-CD2 3.5Å; L263-C418 HydrophobicContact CD1-CB 4.42Å; L263-C418 HydrophobicContact CD2-CB 4.17Å; L263-A422 HydrophobicContact CD2-CB 3.77Å; L263-L425 HydrophobicContact CD2-CD2 4.41Å; L263-L425 HydrophobicContact CD2-CG 4.49Å; L263-A426 HydrophobicContact CD2-CB 3.86Å
264M95.9Very high94Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-55.8-43.1176.5-65.2177.56800111.6C227 W260 L261 R266 F267 Y268 L274 L425 F429C227-M264 HydrophobicContact CB-CE 4.43Å; C227-M264 HydrophobicContact CB-SD 4.04Å; W260-M264 WeakPolarHBondContact O-CG 3.3Å; W260-M264 PolarHBondContact O-N 3.3Å; L261-M264 HydrophobicContact CD2-SD 3.75Å; L261-M264 PolarHBondContact O-N 2.93Å; M264-R266 PolarHBondContact O-N 3.08Å; M264-R266 VanDerWaalsContact O-N 3.13Å; M264-F267 PolarHBondContact O-N 3.43Å; M264-Y268 HydrophobicContact CB-CD2 4.33Å; M264-Y268 HydrophobicContact CB-CE2 4.15Å; M264-Y268 HydrophobicContact CE-CE2 3.82Å; M264-Y268 WeakPolarHBondContact CE-OH 3.36Å; M264-Y268 WeakPolarHBondContact O-CD2 3.35Å; M264-Y268 PolarHBondContact O-N 2.92Å; M264-L274 HydrophobicContact CB-CD2 3.79Å; M264-L274 HydrophobicContact CE-CD1 4.16Å; M264-L274 HydrophobicContact CE-CD2 4.33Å; M264-L425 HydrophobicContact CG-CD1 4.39Å; M264-L425 HydrophobicContact CG-CD2 3.82Å; M264-L425 HydrophobicContact CG-CG 4.42Å; M264-L425 HydrophobicContact SD-CD2 4.38Å; M264-F429 HydrophobicContact CB-CE2 4.29Å; M264-F429 HydrophobicContact CE-CE2 4.42Å; M264-F429 HydrophobicContact CE-CZ 4.26Å; M264-F429 HydrophobicContact CG-CE2 3.88Å; M264-F429 HydrophobicContact CG-CZ 4.43Å
265R95.6Very high94.1Very high94 Ų9435.1 Ų35.136%0.35519%0.187SC..Hα-helixtrans-58.4-24.5178-72179.5-170.3115.44.7114L261 L263 A271 L274L261-R265 VanDerWaalsContact O-CG 3.31Å; L261-R265 WeakPolarHBondContact O-CG 3.34Å; L261-R265 PolarHBondContact O-N 2.86Å; L263-R265 VanDerWaalsContact C-N 3.29Å; L263-R265 PolarHBondContact O-N 3.03Å; R265-A271 HydrophobicContact CB-CB 4.26Å; R265-A271 HydrophobicContact CG-CB 3.83Å; R265-L274 HydrophobicContact CG-CD2 4.07Å; R265-L274 PolarHBondContact NH2-O 3.46Å
266R93.1Very high94.2Very high65 Ų6534.6 Ų34.625%0.24518%0.184CC..Hα-helixtrans-70.3-39.1173.4-59.9-173.9177.9-122.4-12.7112.1L263 M264 I304 E375 G376L263-R266 WeakPolarHBondContact O-CB 3.21Å; L263-R266 PolarHBondContact O-N 2.72Å; M264-R266 PolarHBondContact O-N 3.08Å; M264-R266 VanDerWaalsContact O-N 3.13Å; R266-I304 HydrophobicContact CB-CG2 4.21Å; R266-E375 PolarHBondContact NH1-O 2.94Å; R266-E375 PolarHBondContact NH2-O 3.25Å; R266-G376 PolarHBondContact NH2-O 3.04Å
267F93.8Very high94.3Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-82.3-32179.2-67.7-87.2000113L263 M264 A269 L301 R302 I304 F429 M430L263-F267 HydrophobicContact CD1-CE2 3.98Å; L263-F267 HydrophobicContact CG-CE2 4.17Å; L263-F267 WeakPolarHBondContact O-CD2 3.5Å; M264-F267 PolarHBondContact O-N 3.43Å; F267-A269 PolarHBondContact O-N 2.93Å; F267-L301 HydrophobicContact CB-CD2 3.93Å; F267-L301 CarbonylContact O-C 3.57Å; F267-L301 WeakPolarHBondContact O-CA 3.42Å; F267-R302 WeakPolarHBondContact CD1-O 3.32Å; F267-R302 PolarHBondContact O-N 2.93Å; F267-I304 HydrophobicContact CD1-CG1 4.45Å; F267-I304 HydrophobicContact CD1-CG2 4.01Å; F267-I304 HydrophobicContact CE1-CB 4.49Å; F267-I304 HydrophobicContact CE1-CD1 3.82Å; F267-I304 HydrophobicContact CE1-CG1 3.68Å; F267-I304 HydrophobicContact CE1-CG2 4.1Å; F267-I304 HydrophobicContact CE2-CD1 3.68Å; F267-I304 HydrophobicContact CE2-CG1 4.45Å; F267-I304 HydrophobicContact CG-CG2 4.32Å; F267-I304 HydrophobicContact CZ-CD1 3.28Å; F267-I304 HydrophobicContact CZ-CG1 3.7Å; F267-I304 HydrophobicContact CZ-CG2 4.48Å; F267-F429 HydrophobicContact CB-CB 4.45Å; F267-F429 HydrophobicContact CB-CD2 3.87Å; F267-F429 HydrophobicContact CD1-CB 3.62Å; F267-F429 HydrophobicContact CD1-CD2 4.47Å; F267-F429 HydrophobicContact CD2-CB 4.01Å; F267-F429 AromaticContact CD2-CD2 3.68Å; F267-F429 HydrophobicContact CD2-CD2 3.68Å; F267-F429 HydrophobicContact CD2-CG 4.37Å; F267-F429 HydrophobicContact CE1-CB 3.62Å; F267-F429 HydrophobicContact CE2-CB 4.01Å; F267-F429 HydrophobicContact CE2-CD2 4.25Å; F267-F429 HydrophobicContact CG-CB 3.8Å; F267-F429 AromaticContact CG-CD2 3.79Å; F267-F429 HydrophobicContact CG-CD2 3.79Å; F267-F429 HydrophobicContact CG-CG 4.32Å; F267-F429 HydrophobicContact CZ-CB 3.8Å; F267-M430 HydrophobicContact CE1-CG 4Å; F267-M430 HydrophobicContact CZ-CG 3.98Å
268Y93.1Very high94.3Very high0 Ų039 Ų390%020%0.204CC..BIsolated β-bridgetrans-64.9131.2178.5-85.9-126.8000110.1P231 M264 D270 A271 L274 S295 P296 C298 L301 R302 F429P231-Y268 HydrophobicContact CB-CE2 4.13Å; P231-Y268 HydrophobicContact CG-CE2 3.81Å; P231-Y268 WeakPolarHBondContact CG-OH 3.41Å; M264-Y268 HydrophobicContact CB-CD2 4.33Å; M264-Y268 HydrophobicContact CB-CE2 4.15Å; M264-Y268 HydrophobicContact CE-CE2 3.82Å; M264-Y268 WeakPolarHBondContact CE-OH 3.36Å; M264-Y268 WeakPolarHBondContact O-CD2 3.35Å; M264-Y268 PolarHBondContact O-N 2.92Å; Y268-D270 WeakPolarHBondContact CD1-O 3.22Å; Y268-A271 HydrophobicContact CD1-CB 4.35Å; Y268-A271 HydrophobicContact CG-CB 4.32Å; Y268-L274 HydrophobicContact CD1-CD2 4.37Å; Y268-L274 HydrophobicContact CD2-CD2 4.42Å; Y268-L274 HydrophobicContact CE1-CD2 4.24Å; Y268-L274 HydrophobicContact CE2-CD2 4.27Å; Y268-L274 HydrophobicContact CG-CD2 4.46Å; Y268-S295 PolarHBondContact OH-OG 3.26Å; Y268-P296 HydrophobicContact CD1-CG 4.14Å; Y268-P296 HydrophobicContact CE1-CG 4.05Å; Y268-C298 HydrophobicContact CD1-CB 4.17Å; Y268-C298 HydrophobicContact CE1-CB 4.03Å; Y268-L301 HydrophobicContact CD2-CD2 4.32Å; Y268-R302 PolarHBondContact O-NE 3.04Å; Y268-R302 PolarHBondContact O-NH2 3.28Å; Y268-F429 HydrophobicContact CE2-CE2 4.36Å
269A86.4Confident94.3Very high30 Ų3039 Ų3925%0.24821%0.208CC..SBendtrans-63.6-44.9174.100000111.8F267 Y300 R302F267-A269 PolarHBondContact O-N 2.93Å; A269-Y300 HydrophobicContact CB-CD1 4.37Å; A269-Y300 HydrophobicContact CB-CD2 4.24Å; A269-Y300 HydrophobicContact CB-CE1 3.97Å; A269-Y300 HydrophobicContact CB-CE2 3.83Å; A269-Y300 HydrophobicContact CB-CG 4.49Å; A269-R302 HydrophobicContact CB-CG 4.16Å
270D89.1Confident94.5Very high104 Ų10439.6 Ų39.656%0.55621%0.21SC*.  trans-129.5133.1166.3176.99.8000107Y268 E272Y268-D270 WeakPolarHBondContact CD1-O 3.22Å; D270-E272 WeakPolarHBondContact OD1-CB 3.44Å; D270-E272 PolarHBondContact OD1-N 3.38Å
271A90.7Very high94.5Very high23 Ų2339.5 Ų39.519%0.1921%0.21CC..  trans-123.212.8-175.700000112.7R265 Y268 G273 L274R265-A271 HydrophobicContact CB-CB 4.26Å; R265-A271 HydrophobicContact CG-CB 3.83Å; Y268-A271 HydrophobicContact CD1-CB 4.35Å; Y268-A271 HydrophobicContact CG-CB 4.32Å; A271-G273 PolarHBondContact O-N 3.34Å; A271-L274 HydrophobicContact CB-CB 4.47Å; A271-L274 WeakPolarHBondContact O-CB 3.37Å; A271-L274 PolarHBondContact O-N 3.37Å
272E91.6Very high94.3Very high159 Ų15939.5 Ų39.574%0.74321%0.21SC*.THydrogen-bonded Turntrans-59129173.5-168.3171.817900110.1D270 P296D270-E272 WeakPolarHBondContact OD1-CB 3.44Å; D270-E272 PolarHBondContact OD1-N 3.38Å; E272-P296 WeakPolarHBondContact O-CB 3.32Å; E272-P296 VanDerWaalsContact O-CG 3.29Å; E272-P296 WeakPolarHBondContact O-CG 3.46Å
273G91.7Very high94.2Very high49 Ų4938.9 Ų38.951%0.50521%0.205SC..THydrogen-bonded Turntrans85.1-3-173.800000116.3A271 D275 S294A271-G273 PolarHBondContact O-N 3.34Å; G273-D275 PolarHBondContact O-N 3.14Å; G273-S294 CarbonylContact O-C 3.32Å; G273-S294 WeakPolarHBondContact O-CB 3.2Å
274L97Very high94.1Very high4 Ų441.4 Ų41.42%0.02122%0.218CC..  trans-77100.2171.6-177.364.2000110.4L261 M264 R265 Y268 A271 F293 S294L261-L274 HydrophobicContact CD2-CD1 4.21Å; L261-L274 HydrophobicContact CD2-CG 4.28Å; M264-L274 HydrophobicContact CB-CD2 3.79Å; M264-L274 HydrophobicContact CE-CD1 4.16Å; M264-L274 HydrophobicContact CE-CD2 4.33Å; R265-L274 HydrophobicContact CG-CD2 4.07Å; R265-L274 PolarHBondContact NH2-O 3.46Å; Y268-L274 HydrophobicContact CD1-CD2 4.37Å; Y268-L274 HydrophobicContact CD2-CD2 4.42Å; Y268-L274 HydrophobicContact CE1-CD2 4.24Å; Y268-L274 HydrophobicContact CE2-CD2 4.27Å; Y268-L274 HydrophobicContact CG-CD2 4.46Å; A271-L274 HydrophobicContact CB-CB 4.47Å; A271-L274 WeakPolarHBondContact O-CB 3.37Å; A271-L274 PolarHBondContact O-N 3.37Å; L274-F293 HydrophobicContact CD1-CE2 4.09Å; L274-F293 HydrophobicContact CD1-CZ 4.35Å; L274-S294 WeakPolarHBondContact CA-O 3.41Å
275D97.5Very high93.8Very high45 Ų4543.7 Ų43.724%0.24123%0.233CC..EExtended strand (participates in β ladder)trans-148.1159.1-176.3-170.626.2000112.5K257 G273 K277 S294K257-D275 IonicContact NZ-OD1 2.9Å; G273-D275 PolarHBondContact O-N 3.14Å; D275-K277 WeakPolarHBondContact OD2-CE 3.35Å; D275-K277 WeakPolarHBondContact OD2-CG 3.43Å; D275-S294 PolarHBondContact N-O 2.93Å; D275-S294 PolarHBondContact O-N 3.13Å
276L98.1Very high93.7Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-131.7107.5175.4-17465.1000108.8L223 V253 I256 K257 L261 V291 V292 F293L223-L276 HydrophobicContact CD1-CD1 3.99Å; L223-L276 HydrophobicContact CD1-CD2 3.87Å; L223-L276 HydrophobicContact CD2-CD1 3.85Å; V253-L276 VanDerWaalsContact O-CD2 3.26Å; V253-L276 WeakPolarHBondContact O-CD2 3.43Å; I256-L276 HydrophobicContact CB-CD2 4.15Å; I256-L276 HydrophobicContact CG2-CD2 3.92Å; K257-L276 HydrophobicContact CB-CB 4.39Å; K257-L276 HydrophobicContact CB-CD2 4.15Å; K257-L276 VanDerWaalsContact CD-O 3.32Å; K257-L276 WeakPolarHBondContact CD-O 3.37Å; K257-L276 WeakPolarHBondContact CE-O 3.2Å; K257-L276 HydrophobicContact CG-CB 4.46Å; K257-L276 PolarHBondContact NZ-O 3.03Å; L261-L276 HydrophobicContact CD1-CB 3.81Å; L276-V291 HydrophobicContact CD1-CG1 3.36Å; L276-V291 HydrophobicContact CG-CG1 3.85Å; L276-V292 CarbonylContact C-O 3.42Å; L276-V292 WeakPolarHBondContact CA-O 3.27Å; L276-F293 HydrophobicContact CD1-CB 3.69Å; L276-F293 HydrophobicContact CD1-CD2 3.95Å; L276-F293 HydrophobicContact CD1-CG 4.22Å
277K97.3Very high93.6Very high118 Ų11840.1 Ų40.151%0.51323%0.225SC..EExtended strand (participates in β ladder)trans-102.1111.1-175.4-62.7179.6-176.91740110.3D275 V279 V291 V292D275-K277 WeakPolarHBondContact OD2-CE 3.35Å; D275-K277 WeakPolarHBondContact OD2-CG 3.43Å; K277-V279 PolarHBondContact O-N 2.66Å; K277-V291 CarbonylContact O-C 3.56Å; K277-V291 WeakPolarHBondContact O-CA 3.48Å; K277-V292 HydrophobicContact CB-CB 4.36Å; K277-V292 PolarHBondContact N-O 2.65Å; K277-V292 PolarHBondContact O-N 3.12Å
278I96.8Very high93.6Very high25 Ų2541.7 Ų41.713%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-78.9107.9171.8-55.1167.2000107.4V253 D254 R281 V291V253-I278 HydrophobicContact CB-CD1 4.45Å; V253-I278 HydrophobicContact CB-CG1 4.45Å; V253-I278 HydrophobicContact CG2-CD1 3.68Å; V253-I278 HydrophobicContact CG2-CG1 3.95Å; D254-I278 VanDerWaalsContact OD1-CD1 3.26Å; D254-I278 WeakPolarHBondContact OD1-CD1 3.41Å; I278-R281 HydrophobicContact CG2-CG 3.93Å; I278-V291 HydrophobicContact CG1-CG2 4.43Å; I278-V291 HydrophobicContact CG2-CG2 4.47Å
279V96.5Very high93.7Very high60 Ų6041.8 Ų41.836%0.36424%0.242SC..EExtended strand (participates in β ladder)trans-86.4-57.2-179.4-173.80000108.9K277 K290 V292 R354K277-V279 PolarHBondContact O-N 2.66Å; V279-K290 WeakPolarHBondContact CA-O 3.38Å; V279-K290 HydrophobicContact CB-CB 4.39Å; V279-K290 HydrophobicContact CB-CG 4.36Å; V279-K290 WeakPolarHBondContact CB-O 3.31Å; V279-K290 PolarHBondContact N-O 3.26Å; V279-V292 HydrophobicContact CG2-CG2 3.87Å; V279-R354 PolarHBondContact O-NH1 2.8Å
280N97.1Very high94.3Very high19 Ų1943.6 Ų43.610%0.10224%0.244CC..EExtended strand (participates in β ladder)trans-119.6139.2174.9-57.3-4.8000108.9G289 K290 E357 A358N280-G289 WeakPolarHBondContact O-CA 3.5Å; N280-K290 HydrophobicContact CB-CB 3.93Å; N280-K290 PolarHBondContact N-O 3.19Å; N280-K290 PolarHBondContact O-N 3.34Å; N280-E357 PolarHBondContact ND2-O 2.88Å; N280-A358 WeakPolarHBondContact CA-O 3.49Å
281R95.7Very high94.7Very high3 Ų338.6 Ų38.61%0.01122%0.218CC..  trans-88.6149.3167.4-75-173.5179.4-79.8-5.5109.8D254 I278 F283 C322 D352 A358 A359 G360D254-R281 IonicContact OD1-CZ 2.91Å; D254-R281 IonicContact OD1-NH1 3.06Å; D254-R281 IonicContact OD1-NH2 3.3Å; D254-R281 PolarHBondContact OD1-NH2 3.49Å; D254-R281 IonicContact OD2-CZ 2.7Å; D254-R281 IonicContact OD2-NH1 3.61Å; D254-R281 PolarHBondContact OD2-NH1 3.3Å; D254-R281 IonicContact OD2-NH2 2.72Å; I278-R281 HydrophobicContact CG2-CG 3.93Å; R281-F283 HydrophobicContact CB-CE2 4.42Å; R281-C322 VanDerWaalsContact CB-SG 3.55Å; R281-D352 IonicContact CZ-OD2 3.09Å; R281-D352 VanDerWaalsContact CZ-OD2 3.24Å; R281-D352 IonicContact NE-OD2 3.02Å; R281-D352 PolarHBondContact NE-OD2 3.04Å; R281-D352 IonicContact NH2-OD2 2.64Å; R281-D352 PolarHBondContact NH2-OD2 3.38Å; R281-A358 PolarHBondContact N-O 3.1Å; R281-A359 CarbonylContact O-C 3.58Å; R281-G360 WeakPolarHBondContact O-CA 3.29Å; R281-G360 PolarHBondContact O-N 2.99Å
282G93.7Very high95Very high0 Ų039.3 Ų39.30%022%0.22CC..  trans-151.4124.217900000112.1V244 T245 G287V244-G282 CarbonylContact C-O 3.52Å; V244-G282 WeakPolarHBondContact CA-O 3.24Å; T245-G282 PolarHBondContact N-O 2.95Å; T245-G282 PolarHBondContact OG1-N 3.32Å; T245-G282 VanDerWaalsContact OG1-N 3.13Å; T245-G282 PolarHBondContact OG1-O 2.92Å; G282-G287 WeakPolarHBondContact CA-O 3.27Å
283F93.5Very high95.4Very high9 Ų931.8 Ų31.84%0.03919%0.185CC..BIsolated β-bridgetrans-103.3162-178.2-63.9-75.9000111.6N246 R281 G287 Y320 C322 S362N246-F283 HydrophobicContact CB-CE1 4.11Å; R281-F283 HydrophobicContact CB-CE2 4.42Å; F283-G287 WeakPolarHBondContact O-CA 3.27Å; F283-G287 PolarHBondContact O-N 3.39Å; F283-Y320 HydrophobicContact CE1-CD2 4.37Å; F283-Y320 AromaticContact CE1-CE2 3.8Å; F283-Y320 HydrophobicContact CE1-CE2 3.8Å; F283-Y320 AromaticContact CZ-CD2 3.67Å; F283-Y320 HydrophobicContact CZ-CD2 3.67Å; F283-Y320 AromaticContact CZ-CE2 3.56Å; F283-Y320 HydrophobicContact CZ-CE2 3.56Å; F283-C322 HydrophobicContact CD2-CB 4.05Å; F283-C322 HydrophobicContact CE2-CB 3.71Å; F283-S362 WeakPolarHBondContact O-CB 3.34Å
284M91.7Very high95.6Very high63 Ų6330.5 Ų30.531%0.3117%0.168SC..THydrogen-bonded Turntrans-62.8152.8166.8-76.1169.462.100111.3V244 C247 S362 P387V244-M284 HydrophobicContact CG1-CG 4.07Å; V244-M284 HydrophobicContact CG2-CG 4.1Å; C247-M284 VanDerWaalsContact SG-SD 3.65Å; M284-S362 VanDerWaalsContact O-CB 3.29Å; M284-S362 WeakPolarHBondContact O-CB 3.19Å; M284-P387 HydrophobicContact CB-CB 4.16Å; M284-P387 HydrophobicContact CB-CG 4.09Å; M284-P387 HydrophobicContact CE-CG 4.21Å
285P90.1Very high95.6Very high48 Ų4830.4 Ų30.431%0.31217%0.168SC..THydrogen-bonded Turncis-81.9-23.2-2.430.8-36.9000115S362P285-S362 WeakPolarHBondContact CD-OG 3.41Å
286N92.4Very high95.6Very high84 Ų8429.5 Ų29.545%0.44916%0.164SC..THydrogen-bonded Turntrans-88.9-16.4-164.8-65.5-44.2000115.2K215 Q361 S362K215-N286 VanDerWaalsContact CE-O 3.32Å; K215-N286 WeakPolarHBondContact CE-O 3.45Å; N286-Q361 HydrophobicContact CB-CB 3.58Å; N286-S362 WeakPolarHBondContact CB-OG 3.22Å; N286-S362 PolarHBondContact N-OG 2.96Å; N286-S362 PolarHBondContact ND2-OG 2.99Å
287G92.3Very high95.4Very high0 Ų032.5 Ų32.50%018%0.182CC..BIsolated β-bridgetrans71.6-129.5179.900000113.1G282 F283 Q361G282-G287 WeakPolarHBondContact CA-O 3.27Å; F283-G287 WeakPolarHBondContact O-CA 3.27Å; F283-G287 PolarHBondContact O-N 3.39Å; G287-Q361 PolarHBondContact O-N 2.76Å
288G93.5Very high95Very high33 Ų3327.6 Ų27.634%0.3416%0.162SC..  trans86.614.5-175.900000114.6G243G243-G288 PolarHBondContact O-N 3.06Å
289G95.9Very high94.5Very high1 Ų137.4 Ų37.41%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-76.4148.117100000111.2H242 G243 N280H242-G289 VanDerWaalsContact CA-O 3.27Å; H242-G289 WeakPolarHBondContact CA-O 3.47Å; G243-G289 PolarHBondContact N-O 2.99Å; G243-G289 VanDerWaalsContact N-O 3.08Å; G243-G289 WeakPolarHBondContact O-CA 3.41Å; G243-G289 PolarHBondContact O-N 3.48Å; N280-G289 WeakPolarHBondContact O-CA 3.5Å
290K97.4Very high94Very high68 Ų6839.8 Ų39.830%0.29620%0.201SC..EExtended strand (participates in β ladder)trans-140.4121.9179.5-175.9175.7-173.4172.10109.3V240 L241 V279 N280V240-K290 HydrophobicContact CG1-CD 4.4Å; V240-K290 VanDerWaalsContact CG1-CE 3.5Å; V240-K290 HydrophobicContact CG1-CG 4.01Å; L241-K290 WeakPolarHBondContact O-CA 3.22Å; V279-K290 WeakPolarHBondContact CA-O 3.38Å; V279-K290 HydrophobicContact CB-CB 4.39Å; V279-K290 HydrophobicContact CB-CG 4.36Å; V279-K290 WeakPolarHBondContact CB-O 3.31Å; V279-K290 PolarHBondContact N-O 3.26Å; N280-K290 HydrophobicContact CB-CB 3.93Å; N280-K290 PolarHBondContact N-O 3.19Å; N280-K290 PolarHBondContact O-N 3.34Å
291V97.8Very high93.7Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-132.2137.8-175.7-177.30000109.7I219 V240 L241 T245 V253 L276 K277 I278I219-V291 HydrophobicContact CD1-CG2 4.23Å; V240-V291 CarbonylContact C-O 3.53Å; V240-V291 WeakPolarHBondContact CA-O 3.48Å; L241-V291 PolarHBondContact N-O 3.27Å; L241-V291 PolarHBondContact O-N 2.89Å; T245-V291 HydrophobicContact CG2-CG2 3.95Å; V253-V291 HydrophobicContact CB-CG2 4.41Å; V253-V291 HydrophobicContact CG1-CG2 4.04Å; L276-V291 HydrophobicContact CD1-CG1 3.36Å; L276-V291 HydrophobicContact CG-CG1 3.85Å; K277-V291 CarbonylContact O-C 3.56Å; K277-V291 WeakPolarHBondContact O-CA 3.48Å; I278-V291 HydrophobicContact CG1-CG2 4.43Å; I278-V291 HydrophobicContact CG2-CG2 4.47Å
292V98.1Very high93.4Very high38 Ų3844.1 Ų44.123%0.2322%0.217CC..EExtended strand (participates in β ladder)trans-109.2116.5175.6-173.10000108.8V239 V240 L276 K277 V279V239-V292 CarbonylContact O-C 3.54Å; V239-V292 WeakPolarHBondContact O-CA 3.39Å; V240-V292 HydrophobicContact CG2-CG2 4.27Å; L276-V292 CarbonylContact C-O 3.42Å; L276-V292 WeakPolarHBondContact CA-O 3.27Å; K277-V292 HydrophobicContact CB-CB 4.36Å; K277-V292 PolarHBondContact N-O 2.65Å; K277-V292 PolarHBondContact O-N 3.12Å; V279-V292 HydrophobicContact CG2-CG2 3.87Å
293F98.4Very high93.2Very high1 Ų146.3 Ų46.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-100.4123.8172.7177.9-126.8000109.9L223 L226 A230 L237 N238 V239 L261 L274 L276L223-F293 HydrophobicContact CD2-CB 3.79Å; L223-F293 HydrophobicContact CD2-CD1 4.36Å; L223-F293 HydrophobicContact CD2-CG 4Å; L226-F293 HydrophobicContact CB-CD1 3.92Å; L226-F293 HydrophobicContact CB-CE1 3.77Å; L226-F293 HydrophobicContact CD1-CD1 4.1Å; A230-F293 HydrophobicContact CB-CE1 4.07Å; A230-F293 HydrophobicContact CB-CZ 4.17Å; L237-F293 HydrophobicContact CD2-CD1 4.08Å; L237-F293 HydrophobicContact CD2-CE1 3.81Å; N238-F293 CarbonylContact C-O 3.49Å; N238-F293 WeakPolarHBondContact CA-O 3.37Å; V239-F293 PolarHBondContact N-O 3.45Å; V239-F293 PolarHBondContact O-N 3.09Å; L261-F293 HydrophobicContact CD2-CE2 4.14Å; L274-F293 HydrophobicContact CD1-CE2 4.09Å; L274-F293 HydrophobicContact CD1-CZ 4.35Å; L276-F293 HydrophobicContact CD1-CB 3.69Å; L276-F293 HydrophobicContact CD1-CD2 3.95Å; L276-F293 HydrophobicContact CD1-CG 4.22Å
294S97.7Very high93Very high21 Ų2146.5 Ų46.515%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-119134.1176.1-70.70000110.2L237 N238 G273 L274 D275L237-S294 CarbonylContact O-C 3.53Å; L237-S294 VanDerWaalsContact O-CA 3.28Å; L237-S294 WeakPolarHBondContact O-CA 3.49Å; N238-S294 WeakPolarHBondContact OD1-CB 3.41Å; N238-S294 PolarHBondContact OD1-OG 3Å; G273-S294 CarbonylContact O-C 3.32Å; G273-S294 WeakPolarHBondContact O-CB 3.2Å; L274-S294 WeakPolarHBondContact CA-O 3.41Å; D275-S294 PolarHBondContact N-O 2.93Å; D275-S294 PolarHBondContact O-N 3.13Å
295S97Very high92.9Very high3 Ų349.8 Ų49.82%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-138.6133.1171.2-179.50000111.2P236 L237 Y268P236-S295 WeakPolarHBondContact CA-O 3.21Å; L237-S295 PolarHBondContact N-O 3.01Å; L237-S295 PolarHBondContact O-N 3.16Å; Y268-S295 PolarHBondContact OH-OG 3.26Å
296P95.9Very high92.9Very high25 Ų2548.8 Ų48.816%0.16224%0.239CC..  trans-69.5167.9170.633.5-37.6000111.2Y268 E272 C298Y268-P296 HydrophobicContact CD1-CG 4.14Å; Y268-P296 HydrophobicContact CE1-CG 4.05Å; E272-P296 WeakPolarHBondContact O-CB 3.32Å; E272-P296 VanDerWaalsContact O-CG 3.29Å; E272-P296 WeakPolarHBondContact O-CG 3.46Å; P296-C298 PolarHBondContact O-N 3.14Å
297V93.6Very high92.7Very high64 Ų6448.6 Ų48.639%0.38824%0.235SC..  trans-72112.3169.51790000108.9M235 P236 R299M235-V297 VanDerWaalsContact C-CG2 3.48Å; P236-V297 HydrophobicContact CB-CG2 4.39Å; P236-V297 VanDerWaalsContact N-CG2 3.33Å; V297-R299 PolarHBondContact O-N 3.25Å
298C90.5Very high92.5Very high14 Ų1453.2 Ų53.210%0.09526%0.263CS..  trans-78.7112.8176.5-157.10000109.7P231 Y268 P296 Y300P231-C298 HydrophobicContact CB-CB 3.85Å; P231-C298 WeakPolarHBondContact O-CB 3.47Å; Y268-C298 HydrophobicContact CD1-CB 4.17Å; Y268-C298 HydrophobicContact CE1-CB 4.03Å; P296-C298 PolarHBondContact O-N 3.14Å; C298-Y300 VanDerWaalsContact C-N 3.3Å; C298-Y300 PolarHBondContact O-N 2.8Å; C298-Y300 PolarHBondContact SG-O 2.67Å; C298-Y300 VanDerWaalsContact SG-O 3.35Å
299R85.3Confident92.2Very high231 Ų23152.6 Ų52.687%0.87225%0.254SS*.SBendtrans-64.2-37179.1-64.8-175.4-176.2-178.83112.4V297V297-R299 PolarHBondContact O-N 3.25Å
300Y87.1Confident91.9Very high110 Ų11053.8 Ų53.843%0.43127%0.266SS..  trans-165.5153.3174.459.8-86.9000109.8A269 C298 R302 Q434A269-Y300 HydrophobicContact CB-CD1 4.37Å; A269-Y300 HydrophobicContact CB-CD2 4.24Å; A269-Y300 HydrophobicContact CB-CE1 3.97Å; A269-Y300 HydrophobicContact CB-CE2 3.83Å; A269-Y300 HydrophobicContact CB-CG 4.49Å; C298-Y300 VanDerWaalsContact C-N 3.3Å; C298-Y300 PolarHBondContact O-N 2.8Å; C298-Y300 PolarHBondContact SG-O 2.67Å; C298-Y300 VanDerWaalsContact SG-O 3.35Å; Y300-R302 HydrophobicContact CD2-CG 4.48Å; Y300-R302 HydrophobicContact CE2-CG 3.96Å; Y300-Q434 VanDerWaalsContact CB-NE2 3.31Å
301L90.6Very high91.6Very high8 Ų857.9 Ų57.94%0.04229%0.286CS..BIsolated β-bridgetrans-84.7128.3170.3-64171.9000109.9P231 F232 F267 Y268 F429 L432P231-L301 HydrophobicContact CB-CD2 3.93Å; P231-L301 HydrophobicContact CB-CG 4.5Å; P231-L301 HydrophobicContact CG-CD2 4.34Å; F232-L301 HydrophobicContact CE1-CD1 3.97Å; F232-L301 HydrophobicContact CE2-CD1 4.47Å; F232-L301 HydrophobicContact CZ-CD1 3.54Å; F267-L301 HydrophobicContact CB-CD2 3.93Å; F267-L301 CarbonylContact O-C 3.57Å; F267-L301 WeakPolarHBondContact O-CA 3.42Å; Y268-L301 HydrophobicContact CD2-CD2 4.32Å; L301-F429 HydrophobicContact CD1-CB 4.11Å; L301-F429 HydrophobicContact CD1-CD1 4.12Å; L301-F429 HydrophobicContact CD1-CG 4.05Å; L301-F429 HydrophobicContact CD2-CD2 4.32Å; L301-L432 HydrophobicContact CD1-CB 4.42Å
302R89.7Confident91.4Very high106 Ų10659.8 Ų59.840%0.430%0.297SS..PPolyproline II helixtrans-74.7130.4171.6-68.1-169.7-72.4-169.9-7.6109.9F267 Y268 A269 Y300 C433F267-R302 WeakPolarHBondContact CD1-O 3.32Å; F267-R302 PolarHBondContact O-N 2.93Å; Y268-R302 PolarHBondContact O-NE 3.04Å; Y268-R302 PolarHBondContact O-NH2 3.28Å; A269-R302 HydrophobicContact CB-CG 4.16Å; Y300-R302 HydrophobicContact CD2-CG 4.48Å; Y300-R302 HydrophobicContact CE2-CG 3.96Å; R302-C433 PolarHBondContact O-SG 3.36Å
303P89.1Confident91.2Very high45 Ų4565.3 Ų65.329%0.29231%0.314SS..PPolyproline II helixtrans-66.7147.3171.728.6-32.4000110.5C433 D436 S438P303-C433 HydrophobicContact CB-CB 4.33Å; P303-D436 HydrophobicContact CB-CB 4.24Å; P303-D436 HydrophobicContact CG-CB 3.84Å; P303-S438 VanDerWaalsContact CA-OG 3.26Å; P303-S438 WeakPolarHBondContact CA-OG 3.42Å; P303-S438 VanDerWaalsContact CB-OG 3.32Å; P303-S438 WeakPolarHBondContact CB-OG 3.24Å
304I90Very high91.1Very high13 Ų1367.2 Ų67.27%0.06732%0.322CS..  trans-120.3147.1-178.566.5166.5000111.8R266 F267 L306 S438 K439 L440R266-I304 HydrophobicContact CB-CG2 4.21Å; F267-I304 HydrophobicContact CD1-CG1 4.45Å; F267-I304 HydrophobicContact CD1-CG2 4.01Å; F267-I304 HydrophobicContact CE1-CB 4.49Å; F267-I304 HydrophobicContact CE1-CD1 3.82Å; F267-I304 HydrophobicContact CE1-CG1 3.68Å; F267-I304 HydrophobicContact CE1-CG2 4.1Å; F267-I304 HydrophobicContact CE2-CD1 3.68Å; F267-I304 HydrophobicContact CE2-CG1 4.45Å; F267-I304 HydrophobicContact CG-CG2 4.32Å; F267-I304 HydrophobicContact CZ-CD1 3.28Å; F267-I304 HydrophobicContact CZ-CG1 3.7Å; F267-I304 HydrophobicContact CZ-CG2 4.48Å; I304-L306 HydrophobicContact CD1-CD1 3.89Å; I304-L306 HydrophobicContact CD1-CG 4.25Å; I304-S438 PolarHBondContact N-OG 3.02Å; I304-S438 CarbonylContact O-C 3.58Å; I304-S438 WeakPolarHBondContact O-CA 3.42Å; I304-S438 WeakPolarHBondContact O-CB 3.45Å; I304-K439 PolarHBondContact O-N 2.66Å; I304-L440 HydrophobicContact CD1-CD1 4.23Å
305Q89.4Confident91Very high132 Ų13266.4 Ų66.462%0.61732%0.316SS*.EExtended strand (participates in β ladder)trans-127.994.6172.3-63.6-174.919.500108.4K439Q305-K439 WeakPolarHBondContact CA-O 3.41Å
306L89.5Confident91Very high28 Ų2869.5 Ų69.515%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-12297.1-179.3-58.1179.5000109.1I304 C417 K439 L440 V441I304-L306 HydrophobicContact CD1-CD1 3.89Å; I304-L306 HydrophobicContact CD1-CG 4.25Å; L306-C417 HydrophobicContact CB-CB 3.7Å; L306-C417 HydrophobicContact CD1-CB 4.32Å; L306-C417 PolarHBondContact O-SG 2.92Å; L306-C417 VanDerWaalsContact O-SG 3.32Å; L306-K439 PolarHBondContact N-O 2.87Å; L306-L440 HydrophobicContact CB-CD1 3.91Å; L306-L440 HydrophobicContact CD1-CD1 4.21Å; L306-L440 CarbonylContact O-C 3.5Å; L306-L440 WeakPolarHBondContact O-CA 3.35Å; L306-V441 PolarHBondContact O-N 3.2Å
307E88.8Confident91Very high80 Ų8068.3 Ų68.337%0.37432%0.32SS..  trans-103.7-17.3-178.1-54.7-159.2179.400113.4K439 V441 K496E307-K439 WeakPolarHBondContact OE1-CD 3.3Å; E307-V441 HydrophobicContact CB-CG2 4.18Å; E307-V441 WeakPolarHBondContact O-CG2 3.35Å; E307-K496 VanDerWaalsContact OE1-CE 3.24Å; E307-K496 WeakPolarHBondContact OE1-CE 3.2Å; E307-K496 IonicContact OE1-NZ 2.87Å; E307-K496 PolarHBondContact OE1-NZ 2.85Å; E307-K496 IonicContact OE2-NZ 3.8Å; E307-K496 PolarHBondContact OE2-NZ 2.87Å
308T88.4Confident91.1Very high97 Ų9766.4 Ų66.460%0.59531%0.307SS*.  trans-124.9133.3-179.8-62.70000109.9C417T308-C417 VanDerWaalsContact C-SG 3.52Å
309S87.1Confident91.4Very high20 Ų2065.7 Ų65.714%0.1430%0.303CS..  trans-85-14.3179.761.10000114.4T373 Y379 G416S309-T373 WeakPolarHBondContact O-CB 3.06Å; S309-T373 WeakPolarHBondContact O-CG2 3.47Å; S309-T373 PolarHBondContact O-OG1 2.87Å; S309-Y379 WeakPolarHBondContact CB-OH 3.42Å; S309-G416 WeakPolarHBondContact CB-O 3.48Å
310G89.3Confident91.8Very high25 Ų2554.7 Ų54.726%0.25826%0.261SS..  trans69.5-175.5-170.500000113.8T374G310-T374 WeakPolarHBondContact CA-OG1 3.44Å
311Q91.3Very high92.2Very high155 Ų15549.5 Ų49.572%0.72424%0.241SC*.  trans-95.1153.1171.6-65-178.30.100110.1R313 T373 T374Q311-R313 PolarHBondContact O-N 3.29Å; Q311-T373 CarbonylContact O-C 3.53Å; Q311-T373 WeakPolarHBondContact O-CA 3.37Å; Q311-T373 VanDerWaalsContact O-CB 3.32Å; Q311-T373 WeakPolarHBondContact O-CB 3.28Å; Q311-T374 PolarHBondContact N-OG1 2.86Å; Q311-T374 PolarHBondContact O-N 2.82Å
312V93.5Very high92.4Very high39 Ų3949.1 Ų49.124%0.23624%0.239CC..EExtended strand (participates in β ladder)trans-68.4118.6174.7178.60000109.5V315 L344 A371 T373 I412V312-V315 HydrophobicContact CG1-CG2 4.27Å; V312-L344 HydrophobicContact CG1-CD2 4.04Å; V312-A371 HydrophobicContact CG1-CB 3.93Å; V312-A371 HydrophobicContact CG2-CB 4.47Å; V312-T373 HydrophobicContact CG2-CG2 4.23Å; V312-I412 HydrophobicContact CG2-CD1 4.06Å; V312-I412 HydrophobicContact CG2-CG1 4.13Å; V312-I412 HydrophobicContact CG2-CG2 4.02Å
313R93.7Very high92.6Very high154 Ų15450.2 Ų50.258%0.58124%0.243SC*.EExtended strand (participates in β ladder)trans-88.5-44.3-177.3177.6-175.9175.8-177.23.5112.1Q311 E372 T374Q311-R313 PolarHBondContact O-N 3.29Å; R313-E372 PolarHBondContact N-O 2.95Å; R313-T374 HydrophobicContact CB-CG2 4.35Å
314K95.5Very high92.8Very high42 Ų4249.9 Ų49.918%0.18324%0.24CC..EExtended strand (participates in β ladder)trans-155152.9-173.371.4-168.8-161.3-1390111.2D346 E372K314-D346 WeakPolarHBondContact CA-O 3.38Å; K314-D346 HydrophobicContact CB-CB 4.02Å; K314-D346 WeakPolarHBondContact CB-OD2 3.49Å; K314-E372 WeakPolarHBondContact CE-OE1 3.26Å; K314-E372 WeakPolarHBondContact CE-OE2 3.43Å; K314-E372 HydrophobicContact CG-CB 4.02Å; K314-E372 PolarHBondContact N-O 3.23Å; K314-E372 IonicContact NZ-OE1 2.72Å; K314-E372 PolarHBondContact NZ-OE1 3.38Å; K314-E372 IonicContact NZ-OE2 3.39Å; K314-E372 PolarHBondContact NZ-OE2 3.5Å; K314-E372 PolarHBondContact O-N 2.88Å
315V96.7Very high93Very high3 Ų352.1 Ų52.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-118.4135173.5175.30000110.1V312 V340 L344 D346 V347 Y348 L369 S370 A371 L408V312-V315 HydrophobicContact CG1-CG2 4.27Å; V315-V340 HydrophobicContact CB-CG1 4.15Å; V315-V340 HydrophobicContact CG1-CG1 4.26Å; V315-V340 HydrophobicContact CG2-CG1 3.93Å; V315-L344 HydrophobicContact CB-CD2 4.42Å; V315-L344 HydrophobicContact CG2-CD2 3.81Å; V315-D346 PolarHBondContact N-O 2.78Å; V315-V347 HydrophobicContact CB-CG1 4.41Å; V315-V347 HydrophobicContact CB-CG2 4.39Å; V315-V347 HydrophobicContact CG1-CG1 4.45Å; V315-V347 WeakPolarHBondContact O-CA 3.2Å; V315-Y348 PolarHBondContact O-N 2.97Å; V315-Y348 VanDerWaalsContact O-N 3.12Å; V315-L369 HydrophobicContact CG1-CD2 4.5Å; V315-S370 CarbonylContact C-O 3.59Å; V315-S370 WeakPolarHBondContact CA-O 3.31Å; V315-A371 HydrophobicContact CG2-CB 4.04Å; V315-L408 HydrophobicContact CG1-CD2 4.26Å; V315-L408 HydrophobicContact CG2-CD2 4.39Å
316R96.3Very high93.2Very high69 Ų6948.2 Ų48.226%0.2624%0.243SC..EExtended strand (participates in β ladder)trans-121.1128173.9-62.5-63.8174-97.77108.9D346 Y348 S370R316-D346 IonicContact CZ-OD1 3.99Å; R316-D346 PolarHBondContact NH1-O 3.46Å; R316-D346 IonicContact NH1-OD1 2.99Å; R316-D346 PolarHBondContact NH1-OD1 3.15Å; R316-D346 IonicContact NH1-OD2 3.69Å; R316-D346 IonicContact NH2-OD1 3.4Å; R316-D346 PolarHBondContact NH2-OD1 3.37Å; R316-D346 IonicContact NH2-OD2 2.68Å; R316-D346 PolarHBondContact NH2-OD2 3.41Å; R316-Y348 CarbonylContact C-O 3.21Å; R316-Y348 WeakPolarHBondContact CA-O 3.28Å; R316-S370 PolarHBondContact N-O 3.28Å; R316-S370 PolarHBondContact O-N 2.77Å
317G95.6Very high93.5Very high0 Ų050.3 Ų50.30%026%0.257CS..EExtended strand (participates in β ladder)trans-115.9153.4177.100000112.8Y348 F349 Y350 L368G317-Y348 PolarHBondContact N-O 3.35Å; G317-F349 CarbonylContact O-C 3.59Å; G317-F349 VanDerWaalsContact O-CA 3.32Å; G317-F349 WeakPolarHBondContact O-CA 3.15Å; G317-Y350 PolarHBondContact O-N 3.14Å; G317-L368 CarbonylContact C-O 3.5Å; G317-L368 WeakPolarHBondContact CA-O 3.49Å
318I96Very high93.7Very high23 Ų2348.7 Ų48.712%0.11825%0.25CC..EExtended strand (participates in β ladder)trans-129.9112.8173.2-57.7176.5000107.2F258 Y350 D352 V367 L368F258-I318 HydrophobicContact CD2-CD1 4.2Å; F258-I318 HydrophobicContact CE1-CD1 4.32Å; F258-I318 HydrophobicContact CE2-CD1 3.31Å; F258-I318 HydrophobicContact CZ-CD1 3.39Å; I318-Y350 WeakPolarHBondContact CA-O 3.19Å; I318-D352 HydrophobicContact CG2-CB 3.93Å; I318-V367 VanDerWaalsContact O-CA 3.32Å; I318-V367 WeakPolarHBondContact O-CA 3.45Å; I318-L368 HydrophobicContact CB-CB 4.46Å; I318-L368 HydrophobicContact CD1-CD2 4.26Å; I318-L368 PolarHBondContact N-O 3.01Å; I318-L368 PolarHBondContact O-N 3.38Å
319A95.9Very high93.9Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-101.3115.2173.800000108.7A329 M333 Y350 S351 D352 G366 V367A319-A329 HydrophobicContact CB-CB 4.03Å; A319-M333 HydrophobicContact CB-CB 4.08Å; A319-M333 HydrophobicContact CB-CE 3.78Å; A319-Y350 PolarHBondContact N-O 2.86Å; A319-S351 WeakPolarHBondContact O-CA 3.16Å; A319-D352 PolarHBondContact O-N 3.34Å; A319-G366 WeakPolarHBondContact CA-O 3.44Å; A319-V367 HydrophobicContact CB-CB 4.43Å; A319-V367 HydrophobicContact CB-CG2 4.22Å
320Y95.5Very high94.3Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-109.4151-175.551.8-102.9000112.1N246 F283 D352 F365 G366N246-Y320 PolarHBondContact ND2-OH 3.21Å; F283-Y320 HydrophobicContact CE1-CD2 4.37Å; F283-Y320 AromaticContact CE1-CE2 3.8Å; F283-Y320 HydrophobicContact CE1-CE2 3.8Å; F283-Y320 AromaticContact CZ-CD2 3.67Å; F283-Y320 HydrophobicContact CZ-CD2 3.67Å; F283-Y320 AromaticContact CZ-CE2 3.56Å; F283-Y320 HydrophobicContact CZ-CE2 3.56Å; Y320-D352 VanDerWaalsContact CA-O 3.27Å; Y320-D352 WeakPolarHBondContact CA-O 2.9Å; Y320-D352 WeakPolarHBondContact CB-O 3.44Å; Y320-F365 VanDerWaalsContact O-CA 3.26Å; Y320-F365 WeakPolarHBondContact O-CA 3.49Å; Y320-F365 WeakPolarHBondContact O-CB 3.09Å; Y320-G366 VanDerWaalsContact CE2-CA 3.45Å; Y320-G366 VanDerWaalsContact CE2-N 3.34Å; Y320-G366 PolarHBondContact N-O 3.03Å; Y320-G366 PolarHBondContact O-N 2.93Å; Y320-G366 VanDerWaalsContact O-N 3.09Å
321S95.3Very high94.6Very high0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-150138174.949.60000111.7D352 H353 R354 G364S321-D352 PolarHBondContact N-O 2.72Å; S321-D352 VanDerWaalsContact N-O 3.15Å; S321-H353 WeakPolarHBondContact O-CA 3.19Å; S321-H353 PolarHBondContact OG-ND1 3.48Å; S321-R354 PolarHBondContact O-N 3.24Å; S321-G364 WeakPolarHBondContact CA-O 3.4Å
322C94.9Very high94.8Very high0 Ų042.7 Ų42.70%020%0.204CC..EExtended strand (participates in β ladder)trans-137132.3-178.4-67.30000109.3R281 F283 V324 A359 P363 G364R281-C322 VanDerWaalsContact CB-SG 3.55Å; F283-C322 HydrophobicContact CD2-CB 4.05Å; F283-C322 HydrophobicContact CE2-CB 3.71Å; C322-V324 PolarHBondContact O-N 3.07Å; C322-A359 HydrophobicContact CB-CB 3.9Å; C322-P363 VanDerWaalsContact O-CA 3.3Å; C322-P363 WeakPolarHBondContact O-CA 3.25Å; C322-G364 PolarHBondContact N-O 2.85Å; C322-G364 PolarHBondContact O-N 2.86Å
323R93.7Very high94.8Very high129 Ų12942.1 Ų42.149%0.48720%0.2SC..SBendtrans49.318.6-175.9-55-175173-149.3-6.1115.7A359 G360 Q361 P363R323-A359 HydrophobicContact CG-CB 4.03Å; R323-G360 PolarHBondContact NE-O 3.02Å; R323-G360 PolarHBondContact NH2-O 2.82Å; R323-Q361 PolarHBondContact NH1-O 3.29Å; R323-P363 HydrophobicContact CB-CB 3.95Å
324V93.1Very high94.8Very high39 Ų3937.7 Ų37.724%0.23620%0.196CC..SBendtrans-129.3163.8173.1-58.50000110C322 M328 H353 P363 F365C322-V324 PolarHBondContact O-N 3.07Å; V324-M328 HydrophobicContact CG2-CB 4.47Å; V324-M328 HydrophobicContact CG2-CG 4.45Å; V324-H353 PolarHBondContact O-CE1 3.44Å; V324-P363 HydrophobicContact CG1-CB 3.57Å; V324-F365 HydrophobicContact CG2-CB 4.14Å; V324-F365 HydrophobicContact CG2-CD1 4.28Å
325S93.8Very high94.7Very high59 Ų5937.1 Ų37.141%0.41320%0.196SC..  trans-60.4135.8176.5177.30000111.6T327 M328S325-T327 PolarHBondContact O-N 3.15Å; S325-T327 WeakPolarHBondContact OG-CB 3.49Å; S325-T327 PolarHBondContact OG-N 3.13Å; S325-T327 PolarHBondContact OG-OG1 3.46Å; S325-M328 PolarHBondContact O-N 2.95Å
326P94Very high94.6Very high50 Ų5037 Ų3733%0.32520%0.195SC..Hα-helixtrans-60.1-18.3174.826.1-35000112.9M328 A329 N330 H353P326-M328 PolarHBondContact O-N 2.96Å; P326-A329 PolarHBondContact O-N 2.91Å; P326-N330 PolarHBondContact O-N 3.45Å; P326-H353 HydrophobicContact CB-CB 4.36Å
327T94.6Very high94.5Very high72 Ų7237.7 Ų37.744%0.44220%0.2SC..Hα-helixtrans-54.7-31.4170.4-52.30000112.5S325 N330 R331S325-T327 PolarHBondContact O-N 3.15Å; S325-T327 WeakPolarHBondContact OG-CB 3.49Å; S325-T327 PolarHBondContact OG-N 3.13Å; S325-T327 PolarHBondContact OG-OG1 3.46Å; T327-N330 PolarHBondContact O-N 2.8Å; T327-R331 HydrophobicContact CG2-CG 4.42Å; T327-R331 WeakPolarHBondContact O-CB 3.14Å; T327-R331 VanDerWaalsContact O-CG 3.27Å; T327-R331 WeakPolarHBondContact O-CG 3.49Å; T327-R331 PolarHBondContact O-N 3.24Å
328M93.2Very high94.4Very high47 Ų4740.5 Ų40.523%0.23222%0.223CC..Hα-helixtrans-66.4-47.1177.8-59-56.6103.700111.4V324 S325 P326 N330 R331 C332 F365 P397V324-M328 HydrophobicContact CG2-CB 4.47Å; V324-M328 HydrophobicContact CG2-CG 4.45Å; S325-M328 PolarHBondContact O-N 2.95Å; P326-M328 PolarHBondContact O-N 2.96Å; M328-N330 VanDerWaalsContact C-N 3.34Å; M328-N330 PolarHBondContact O-N 3.39Å; M328-R331 PolarHBondContact O-N 3.5Å; M328-C332 PolarHBondContact O-N 2.85Å; M328-C332 VanDerWaalsContact O-N 3.16Å; M328-C332 PolarHBondContact O-SG 2.85Å; M328-F365 HydrophobicContact CB-CB 4.37Å; M328-F365 HydrophobicContact CB-CD1 3.91Å; M328-F365 HydrophobicContact CB-CD2 4.33Å; M328-F365 HydrophobicContact CB-CE1 4.26Å; M328-F365 HydrophobicContact CB-CG 3.94Å; M328-F365 HydrophobicContact CG-CD1 4.35Å; M328-F365 HydrophobicContact CG-CE1 4.47Å; M328-P397 HydrophobicContact CB-CG 4.45Å; M328-P397 HydrophobicContact SD-CG 3.77Å
329A93.8Very high94.2Very high0 Ų040.9 Ų40.90%023%0.228CC..Hα-helixtrans-63.1-40.3174.700000111.7A319 P326 R331 C332 M333A319-A329 HydrophobicContact CB-CB 4.03Å; P326-A329 PolarHBondContact O-N 2.91Å; A329-R331 PolarHBondContact O-N 2.67Å; A329-C332 PolarHBondContact O-N 3Å; A329-M333 VanDerWaalsContact O-CB 3.3Å; A329-M333 WeakPolarHBondContact O-CB 3.45Å; A329-M333 PolarHBondContact O-N 3.05Å
330N95.1Very high94.1Very high76 Ų7641.1 Ų41.141%0.40623%0.229SC..Hα-helixtrans-65.3-35.7177.9-68.3-16.3000112.8P326 T327 M328 M333 A334P326-N330 PolarHBondContact O-N 3.45Å; T327-N330 PolarHBondContact O-N 2.8Å; M328-N330 VanDerWaalsContact C-N 3.34Å; M328-N330 PolarHBondContact O-N 3.39Å; N330-M333 PolarHBondContact O-N 3.45Å; N330-A334 WeakPolarHBondContact O-CB 3.5Å; N330-A334 PolarHBondContact O-N 3.49Å
331R95.9Very high93.9Very high94 Ų9446.7 Ų46.736%0.35525%0.253SS..Hα-helixtrans-65.4-47.2173.6-74.7167.965-177.9-0.6111.7T327 M328 A329 M333 A334 T335 P397 E398T327-R331 HydrophobicContact CG2-CG 4.42Å; T327-R331 WeakPolarHBondContact O-CB 3.14Å; T327-R331 VanDerWaalsContact O-CG 3.27Å; T327-R331 WeakPolarHBondContact O-CG 3.49Å; T327-R331 PolarHBondContact O-N 3.24Å; M328-R331 PolarHBondContact O-N 3.5Å; A329-R331 PolarHBondContact O-N 2.67Å; R331-M333 VanDerWaalsContact C-N 3.31Å; R331-M333 PolarHBondContact O-N 3.31Å; R331-A334 PolarHBondContact O-N 2.66Å; R331-T335 PolarHBondContact O-N 3.4Å; R331-T335 PolarHBondContact O-OG1 2.89Å; R331-P397 HydrophobicContact CB-CB 3.6Å; R331-P397 HydrophobicContact CB-CG 4.42Å; R331-E398 IonicContact CZ-OE1 3.04Å; R331-E398 VanDerWaalsContact CZ-OE1 3.3Å; R331-E398 IonicContact CZ-OE2 3.18Å; R331-E398 IonicContact NE-OE1 2.73Å; R331-E398 PolarHBondContact NE-OE1 3.35Å; R331-E398 IonicContact NE-OE2 2.67Å; R331-E398 VanDerWaalsContact NH2-CD 3.29Å; R331-E398 IonicContact NH2-OE1 2.98Å; R331-E398 PolarHBondContact NH2-OE1 2.87Å; R331-E398 IonicContact NH2-OE2 2.8Å; R331-E398 PolarHBondContact NH2-OE2 3.37Å
332C93.8Very high93.7Very high0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-56-47.2173.2-57.10000111.5M328 A329 A334 T335 C336 F365 V367 P397M328-C332 PolarHBondContact O-N 2.85Å; M328-C332 VanDerWaalsContact O-N 3.16Å; M328-C332 PolarHBondContact O-SG 2.85Å; A329-C332 PolarHBondContact O-N 3Å; C332-A334 PolarHBondContact O-N 3.31Å; C332-T335 PolarHBondContact O-N 3.36Å; C332-C336 PolarHBondContact O-N 3.36Å; C332-C336 PolarHBondContact O-SG 2.97Å; C332-F365 VanDerWaalsContact SG-CD2 3.59Å; C332-V367 HydrophobicContact CB-CB 4.39Å; C332-V367 HydrophobicContact CB-CG1 4.18Å; C332-P397 WeakPolarHBondContact CA-O 3.33Å; C332-P397 PolarHBondContact SG-O 2.69Å
333M94.2Very high93.5Very high28 Ų2861.6 Ų61.614%0.13832%0.317CS..Hα-helixtrans-60-43.6179.8-173.5-167.4-60.700112.2A319 A329 N330 R331 T335 C336 K337 F349A319-M333 HydrophobicContact CB-CB 4.08Å; A319-M333 HydrophobicContact CB-CE 3.78Å; A329-M333 VanDerWaalsContact O-CB 3.3Å; A329-M333 WeakPolarHBondContact O-CB 3.45Å; A329-M333 PolarHBondContact O-N 3.05Å; N330-M333 PolarHBondContact O-N 3.45Å; R331-M333 VanDerWaalsContact C-N 3.31Å; R331-M333 PolarHBondContact O-N 3.31Å; M333-T335 PolarHBondContact O-N 3Å; M333-C336 PolarHBondContact O-N 2.69Å; M333-K337 WeakPolarHBondContact O-CB 2.98Å; M333-K337 PolarHBondContact O-N 3.48Å; M333-F349 HydrophobicContact CB-CD1 4.46Å; M333-F349 HydrophobicContact CE-CB 4.01Å; M333-F349 HydrophobicContact CG-CB 3.63Å; M333-F349 HydrophobicContact CG-CD1 3.56Å; M333-F349 HydrophobicContact CG-CD2 4.12Å; M333-F349 HydrophobicContact CG-CE1 4.18Å; M333-F349 HydrophobicContact CG-CG 3.52Å; M333-F349 HydrophobicContact SD-CB 3.55Å; M333-F349 VanDerWaalsContact SD-CB 3.55Å; M333-F349 HydrophobicContact SD-CG 4.14Å
334A94.5Very high93.4Very high61 Ų6157.3 Ų57.350%0.50430%0.303SS..Hα-helixtrans-60.2-45.9178.800000111.4N330 R331 C332 K337 A338N330-A334 WeakPolarHBondContact O-CB 3.5Å; N330-A334 PolarHBondContact O-N 3.49Å; R331-A334 PolarHBondContact O-N 2.66Å; C332-A334 PolarHBondContact O-N 3.31Å; A334-K337 PolarHBondContact O-N 2.85Å; A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 2.79Å
335T93.8Very high93.3Very high29 Ų2960.7 Ų60.718%0.17833%0.329CS..Hα-helixtrans-66.1-45.8178.9-46.70000112.1R331 C332 M333 K337 A338 S339 E398 S402R331-T335 PolarHBondContact O-N 3.4Å; R331-T335 PolarHBondContact O-OG1 2.89Å; C332-T335 PolarHBondContact O-N 3.36Å; M333-T335 PolarHBondContact O-N 3Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.5Å; T335-A338 PolarHBondContact O-N 3.38Å; T335-S339 PolarHBondContact O-N 3.46Å; T335-S339 VanDerWaalsContact O-N 3.12Å; T335-S339 PolarHBondContact O-OG 3.4Å; T335-E398 WeakPolarHBondContact CG2-O 3.41Å; T335-S402 VanDerWaalsContact CG2-OG 3.23Å; T335-S402 WeakPolarHBondContact CG2-OG 3.43Å
336C94.5Very high93.3Very high0 Ų060.9 Ų60.90%033%0.325CS..Hα-helixtrans-57.9-46.9174.5-630000111.6C332 M333 A338 S339 V340 F349 L369 G401C332-C336 PolarHBondContact O-N 3.36Å; C332-C336 PolarHBondContact O-SG 2.97Å; M333-C336 PolarHBondContact O-N 2.69Å; C336-A338 VanDerWaalsContact C-N 3.34Å; C336-A338 PolarHBondContact O-N 3.46Å; C336-S339 PolarHBondContact O-N 2.85Å; C336-V340 WeakPolarHBondContact O-CG2 2.98Å; C336-V340 PolarHBondContact O-N 2.75Å; C336-F349 HydrophobicContact CB-CE1 3.82Å; C336-F349 HydrophobicContact CB-CZ 3.48Å; C336-F349 VanDerWaalsContact CB-CZ 3.48Å; C336-L369 HydrophobicContact CB-CD1 4.43Å; C336-L369 HydrophobicContact CB-CD2 4.21Å; C336-G401 WeakPolarHBondContact SG-CA 3.47Å; C336-G401 PolarHBondContact SG-O 3.15Å
337K93.7Very high93.3Very high85 Ų8559.1 Ų59.137%0.3731%0.314SS..Hα-helixtrans-65.5-37-177.4-169.7174.7-174.6176.80111.7M333 A334 T335 K341 F349M333-K337 WeakPolarHBondContact O-CB 2.98Å; M333-K337 PolarHBondContact O-N 3.48Å; A334-K337 PolarHBondContact O-N 2.85Å; T335-K337 VanDerWaalsContact C-N 3.33Å; T335-K337 PolarHBondContact O-N 3.5Å; K337-K341 HydrophobicContact CG-CD 4.19Å; K337-K341 HydrophobicContact CG-CG 4.4Å; K337-K341 WeakPolarHBondContact O-CB 3.35Å; K337-K341 VanDerWaalsContact O-CG 3.25Å; K337-K341 WeakPolarHBondContact O-CG 3.3Å; K337-K341 PolarHBondContact O-N 2.94Å; K337-K341 VanDerWaalsContact O-N 3.13Å; K337-F349 HydrophobicContact CB-CD2 4.19Å; K337-F349 HydrophobicContact CB-CE2 3.63Å; K337-F349 HydrophobicContact CB-CZ 4.3Å; K337-F349 HydrophobicContact CD-CD2 4.28Å; K337-F349 HydrophobicContact CD-CE2 4.49Å; K337-F349 HydrophobicContact CG-CD2 4.29Å; K337-F349 HydrophobicContact CG-CE2 4.01Å
338A92.8Very high93.3Very high59 Ų5961.4 Ų61.449%0.48832%0.315SS..Hα-helixtrans-63.9-45.6174.600000111.7A334 T335 C336A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 2.79Å; T335-A338 PolarHBondContact O-N 3.38Å; C336-A338 VanDerWaalsContact C-N 3.34Å; C336-A338 PolarHBondContact O-N 3.46Å
339S92.4Very high93.3Very high31 Ų3160 Ų6022%0.21731%0.308CS..Hα-helixtrans-67.5-48.3179.9-56.70000112.9T335 C336 Q342T335-S339 PolarHBondContact O-N 3.46Å; T335-S339 VanDerWaalsContact O-N 3.12Å; T335-S339 PolarHBondContact O-OG 3.4Å; C336-S339 PolarHBondContact O-N 2.85Å; S339-Q342 PolarHBondContact O-N 3.04Å
340V93Very high93.2Very high4 Ų465.9 Ų65.92%0.02433%0.331CS..Hα-helixtrans-71-33.2-176.7-177.50000112V315 C336 Q342 Y343 L344 V347 L369 F409V315-V340 HydrophobicContact CB-CG1 4.15Å; V315-V340 HydrophobicContact CG1-CG1 4.26Å; V315-V340 HydrophobicContact CG2-CG1 3.93Å; C336-V340 WeakPolarHBondContact O-CG2 2.98Å; C336-V340 PolarHBondContact O-N 2.75Å; V340-Q342 PolarHBondContact O-N 3.33Å; V340-Q342 VanDerWaalsContact O-N 3.14Å; V340-Y343 PolarHBondContact O-N 2.9Å; V340-Y343 VanDerWaalsContact O-N 3.07Å; V340-L344 PolarHBondContact O-N 3.29Å; V340-L344 VanDerWaalsContact O-N 3.13Å; V340-V347 HydrophobicContact CB-CG1 4.35Å; V340-V347 HydrophobicContact CB-CG2 4.36Å; V340-V347 HydrophobicContact CG1-CG1 4.18Å; V340-V347 HydrophobicContact CG1-CG2 3.64Å; V340-L369 HydrophobicContact CG2-CD1 4.24Å; V340-F409 HydrophobicContact CG2-CE1 4.22Å; V340-F409 HydrophobicContact CG2-CZ 4.16Å
341K92.4Very high93.1Very high117 Ų11765.4 Ų65.451%0.50933%0.333SS..THydrogen-bonded Turntrans-64.6-15.8179.5-86-167.8161.8-151.90115.3K337 Y343 L344 V347K337-K341 HydrophobicContact CG-CD 4.19Å; K337-K341 HydrophobicContact CG-CG 4.4Å; K337-K341 WeakPolarHBondContact O-CB 3.35Å; K337-K341 VanDerWaalsContact O-CG 3.25Å; K337-K341 WeakPolarHBondContact O-CG 3.3Å; K337-K341 PolarHBondContact O-N 2.94Å; K337-K341 VanDerWaalsContact O-N 3.13Å; K341-Y343 PolarHBondContact O-N 3.43Å; K341-L344 WeakPolarHBondContact CA-O 3.38Å; K341-V347 HydrophobicContact CG-CB 4.39Å; K341-V347 HydrophobicContact CG-CG2 4.37Å
342Q90.4Very high93Very high141 Ų14162.2 Ų62.266%0.65932%0.323SS*.THydrogen-bonded Turntrans-66.2-25.3173.6-65.1173.8700112.2S339 V340S339-Q342 PolarHBondContact O-N 3.04Å; V340-Q342 PolarHBondContact O-N 3.33Å; V340-Q342 VanDerWaalsContact O-N 3.14Å
343Y91.6Very high93.1Very high172 Ų17264.9 Ų64.968%0.67534%0.336SS*.THydrogen-bonded Turntrans-116.4-23.3-174-55.9-80.7000113.6V340 K341 F409V340-Y343 PolarHBondContact O-N 2.9Å; V340-Y343 VanDerWaalsContact O-N 3.07Å; K341-Y343 PolarHBondContact O-N 3.43Å; Y343-F409 HydrophobicContact CD2-CE1 4.25Å; Y343-F409 AromaticContact CD2-CZ 3.92Å; Y343-F409 HydrophobicContact CD2-CZ 3.92Å; Y343-F409 HydrophobicContact CE2-CE2 4.29Å; Y343-F409 HydrophobicContact CE2-CZ 4.08Å
344L90.9Very high93.2Very high39 Ų3967 Ų6720%0.20434%0.342CS..  trans-144.9138-176-166.968.1000112.7V312 V315 V340 K341 V347V312-L344 HydrophobicContact CG1-CD2 4.04Å; V315-L344 HydrophobicContact CB-CD2 4.42Å; V315-L344 HydrophobicContact CG2-CD2 3.81Å; V340-L344 PolarHBondContact O-N 3.29Å; V340-L344 VanDerWaalsContact O-N 3.13Å; K341-L344 WeakPolarHBondContact CA-O 3.38Å; L344-V347 HydrophobicContact CB-CG2 4.24Å; L344-V347 VanDerWaalsContact O-CG2 3.24Å; L344-V347 WeakPolarHBondContact O-CG2 3.32Å
345S90.2Very high93Very high110 Ų11071.8 Ų71.877%0.76935%0.351SS*.SBendtrans-85-40-179.855.20000113.9V347S345-V347 VanDerWaalsContact C-N 3.29Å; S345-V347 PolarHBondContact O-N 2.8Å
346D93.9Very high92.9Very high63 Ų6373 Ų7334%0.33737%0.37SS..  trans-7874.2179.1-172.60.4000111.8K314 V315 R316K314-D346 WeakPolarHBondContact CA-O 3.38Å; K314-D346 HydrophobicContact CB-CB 4.02Å; K314-D346 WeakPolarHBondContact CB-OD2 3.49Å; V315-D346 PolarHBondContact N-O 2.78Å; R316-D346 IonicContact CZ-OD1 3.99Å; R316-D346 PolarHBondContact NH1-O 3.46Å; R316-D346 IonicContact NH1-OD1 2.99Å; R316-D346 PolarHBondContact NH1-OD1 3.15Å; R316-D346 IonicContact NH1-OD2 3.69Å; R316-D346 IonicContact NH2-OD1 3.4Å; R316-D346 PolarHBondContact NH2-OD1 3.37Å; R316-D346 IonicContact NH2-OD2 2.68Å; R316-D346 PolarHBondContact NH2-OD2 3.41Å
347V94.3Very high92.8Very high14 Ų1480.1 Ų80.19%0.08540%0.403CS..EExtended strand (participates in β ladder)trans-123.1111179.5-173.30000109.7V315 V340 K341 L344 S345 F349V315-V347 HydrophobicContact CB-CG1 4.41Å; V315-V347 HydrophobicContact CB-CG2 4.39Å; V315-V347 HydrophobicContact CG1-CG1 4.45Å; V315-V347 WeakPolarHBondContact O-CA 3.2Å; V340-V347 HydrophobicContact CB-CG1 4.35Å; V340-V347 HydrophobicContact CB-CG2 4.36Å; V340-V347 HydrophobicContact CG1-CG1 4.18Å; V340-V347 HydrophobicContact CG1-CG2 3.64Å; K341-V347 HydrophobicContact CG-CB 4.39Å; K341-V347 HydrophobicContact CG-CG2 4.37Å; L344-V347 HydrophobicContact CB-CG2 4.24Å; L344-V347 VanDerWaalsContact O-CG2 3.24Å; L344-V347 WeakPolarHBondContact O-CG2 3.32Å; S345-V347 VanDerWaalsContact C-N 3.29Å; S345-V347 PolarHBondContact O-N 2.8Å; V347-F349 HydrophobicContact CG1-CD2 4.21Å; V347-F349 HydrophobicContact CG1-CE2 3.59Å; V347-F349 HydrophobicContact CG1-CZ 4.48Å
348Y94.5Very high92.8Very high120 Ų12077.3 Ų77.347%0.47140%0.396SS..EExtended strand (participates in β ladder)trans-123.3143.8-179.1-176.4-81.5000111.3V315 R316 G317 Y350V315-Y348 PolarHBondContact O-N 2.97Å; V315-Y348 VanDerWaalsContact O-N 3.12Å; R316-Y348 CarbonylContact C-O 3.21Å; R316-Y348 WeakPolarHBondContact CA-O 3.28Å; G317-Y348 PolarHBondContact N-O 3.35Å; Y348-Y350 AromaticContact CD1-CD2 3.95Å; Y348-Y350 HydrophobicContact CD1-CD2 3.95Å; Y348-Y350 HydrophobicContact CD1-CE1 4.23Å; Y348-Y350 AromaticContact CD1-CE2 3.57Å; Y348-Y350 HydrophobicContact CD1-CE2 3.57Å; Y348-Y350 HydrophobicContact CD1-CG 4.42Å; Y348-Y350 AromaticContact CD1-CZ 3.71Å; Y348-Y350 AromaticContact CE1-CD1 3.67Å; Y348-Y350 HydrophobicContact CE1-CD1 3.67Å; Y348-Y350 AromaticContact CE1-CD2 3.84Å; Y348-Y350 HydrophobicContact CE1-CD2 3.84Å; Y348-Y350 AromaticContact CE1-CE1 3.44Å; Y348-Y350 HydrophobicContact CE1-CE1 3.44Å; Y348-Y350 VanDerWaalsContact CE1-CE1 3.44Å; Y348-Y350 AromaticContact CE1-CE2 3.61Å; Y348-Y350 HydrophobicContact CE1-CE2 3.61Å; Y348-Y350 AromaticContact CE1-CG 3.85Å; Y348-Y350 HydrophobicContact CE1-CG 3.85Å; Y348-Y350 AromaticContact CE1-CZ 3.39Å
349F92.9Very high92.8Very high17 Ų1774.5 Ų74.58%0.07537%0.373CS..EExtended strand (participates in β ladder)trans-127.1136.7180-76.6-98.8000111.9G317 M333 C336 K337 V347 V367 L369G317-F349 CarbonylContact O-C 3.59Å; G317-F349 VanDerWaalsContact O-CA 3.32Å; G317-F349 WeakPolarHBondContact O-CA 3.15Å; M333-F349 HydrophobicContact CB-CD1 4.46Å; M333-F349 HydrophobicContact CE-CB 4.01Å; M333-F349 HydrophobicContact CG-CB 3.63Å; M333-F349 HydrophobicContact CG-CD1 3.56Å; M333-F349 HydrophobicContact CG-CD2 4.12Å; M333-F349 HydrophobicContact CG-CE1 4.18Å; M333-F349 HydrophobicContact CG-CG 3.52Å; M333-F349 HydrophobicContact SD-CB 3.55Å; M333-F349 VanDerWaalsContact SD-CB 3.55Å; M333-F349 HydrophobicContact SD-CG 4.14Å; C336-F349 HydrophobicContact CB-CE1 3.82Å; C336-F349 HydrophobicContact CB-CZ 3.48Å; C336-F349 VanDerWaalsContact CB-CZ 3.48Å; K337-F349 HydrophobicContact CB-CD2 4.19Å; K337-F349 HydrophobicContact CB-CE2 3.63Å; K337-F349 HydrophobicContact CB-CZ 4.3Å; K337-F349 HydrophobicContact CD-CD2 4.28Å; K337-F349 HydrophobicContact CD-CE2 4.49Å; K337-F349 HydrophobicContact CG-CD2 4.29Å; K337-F349 HydrophobicContact CG-CE2 4.01Å; V347-F349 HydrophobicContact CG1-CD2 4.21Å; V347-F349 HydrophobicContact CG1-CE2 3.59Å; V347-F349 HydrophobicContact CG1-CZ 4.48Å; F349-V367 HydrophobicContact CE1-CG2 4.07Å; F349-L369 HydrophobicContact CD1-CD2 4.48Å; F349-L369 HydrophobicContact CE1-CD2 3.36Å; F349-L369 HydrophobicContact CZ-CD2 3.44Å; F349-L369 VanDerWaalsContact CZ-CD2 3.44Å
350Y92.5Very high92.9Very high124 Ų12473 Ų7349%0.48636%0.363SS..EExtended strand (participates in β ladder)trans-97.6142.3167.9-59.1-89.9000109.8G317 I318 A319 Y348G317-Y350 PolarHBondContact O-N 3.14Å; I318-Y350 WeakPolarHBondContact CA-O 3.19Å; A319-Y350 PolarHBondContact N-O 2.86Å; Y348-Y350 AromaticContact CD1-CD2 3.95Å; Y348-Y350 HydrophobicContact CD1-CD2 3.95Å; Y348-Y350 HydrophobicContact CD1-CE1 4.23Å; Y348-Y350 AromaticContact CD1-CE2 3.57Å; Y348-Y350 HydrophobicContact CD1-CE2 3.57Å; Y348-Y350 HydrophobicContact CD1-CG 4.42Å; Y348-Y350 AromaticContact CD1-CZ 3.71Å; Y348-Y350 AromaticContact CE1-CD1 3.67Å; Y348-Y350 HydrophobicContact CE1-CD1 3.67Å; Y348-Y350 AromaticContact CE1-CD2 3.84Å; Y348-Y350 HydrophobicContact CE1-CD2 3.84Å; Y348-Y350 AromaticContact CE1-CE1 3.44Å; Y348-Y350 HydrophobicContact CE1-CE1 3.44Å; Y348-Y350 VanDerWaalsContact CE1-CE1 3.44Å; Y348-Y350 AromaticContact CE1-CE2 3.61Å; Y348-Y350 HydrophobicContact CE1-CE2 3.61Å; Y348-Y350 AromaticContact CE1-CG 3.85Å; Y348-Y350 HydrophobicContact CE1-CG 3.85Å; Y348-Y350 AromaticContact CE1-CZ 3.39Å
351S93.5Very high92.9Very high66 Ų6677.4 Ų77.446%0.46238%0.383SS..EExtended strand (participates in β ladder)trans-102.1119.7171.1-173.10000109.4A319A319-S351 WeakPolarHBondContact O-CA 3.16Å
352D94.1Very high92.9Very high26 Ų2672 Ų7214%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-11369.8-177.1-174.427.1000110.1R281 I318 A319 Y320 S321 R354R281-D352 IonicContact CZ-OD2 3.09Å; R281-D352 VanDerWaalsContact CZ-OD2 3.24Å; R281-D352 IonicContact NE-OD2 3.02Å; R281-D352 PolarHBondContact NE-OD2 3.04Å; R281-D352 IonicContact NH2-OD2 2.64Å; R281-D352 PolarHBondContact NH2-OD2 3.38Å; I318-D352 HydrophobicContact CG2-CB 3.93Å; A319-D352 PolarHBondContact O-N 3.34Å; Y320-D352 VanDerWaalsContact CA-O 3.27Å; Y320-D352 WeakPolarHBondContact CA-O 2.9Å; Y320-D352 WeakPolarHBondContact CB-O 3.44Å; S321-D352 PolarHBondContact N-O 2.72Å; S321-D352 VanDerWaalsContact N-O 3.15Å; D352-R354 IonicContact OD1-CZ 3.6Å; D352-R354 IonicContact OD1-NE 2.67Å; D352-R354 PolarHBondContact OD1-NE 3.1Å; D352-R354 IonicContact OD1-NH2 2.93Å; D352-R354 PolarHBondContact OD1-NH2 3.2Å; D352-R354 IonicContact OD2-NH2 3.09Å
353H95.6Very high93Very high57 Ų5767.4 Ų67.426%0.26434%0.342SS..EExtended strand (participates in β ladder)trans-86.9124.5177.9179.567.1000111.1S321 V324 P326 K355S321-H353 WeakPolarHBondContact O-CA 3.19Å; S321-H353 PolarHBondContact OG-ND1 3.48Å; V324-H353 PolarHBondContact O-CE1 3.44Å; P326-H353 HydrophobicContact CB-CB 4.36Å; H353-K355 WeakPolarHBondContact NE2-CE 3.26Å
354R94.7Very high93.1Very high72 Ų7259.3 Ų59.327%0.27231%0.311SS..EExtended strand (participates in β ladder)trans-115146.4179.8-56.2-67.9170.5133-2111.6V279 S321 D352 A358 A359V279-R354 PolarHBondContact O-NH1 2.8Å; S321-R354 PolarHBondContact O-N 3.24Å; D352-R354 IonicContact OD1-CZ 3.6Å; D352-R354 IonicContact OD1-NE 2.67Å; D352-R354 PolarHBondContact OD1-NE 3.1Å; D352-R354 IonicContact OD1-NH2 2.93Å; D352-R354 PolarHBondContact OD1-NH2 3.2Å; D352-R354 IonicContact OD2-NH2 3.09Å; R354-A358 HydrophobicContact CB-CB 4.37Å; R354-A358 WeakPolarHBondContact CB-O 3.16Å; R354-A359 HydrophobicContact CB-CB 4.04Å; R354-A359 WeakPolarHBondContact O-CB 3.31Å
355K92.1Very high93.3Very high161 Ų16158.3 Ų58.370%0.731%0.305SS*.  trans-131.7161.6177.4-63.7-175.2-179.5-178.80110.6H353H353-K355 WeakPolarHBondContact NE2-CE 3.26Å
356G91.7Very high93.5Very high56 Ų5653 Ų5358%0.57727%0.268SS*.G310 helixtrans61.4-142.3179.300000112.4A358 A359G356-A358 VanDerWaalsContact C-N 3.27Å; G356-A358 PolarHBondContact O-N 2.86Å; G356-A359 WeakPolarHBondContact O-CB 3.39Å; G356-A359 PolarHBondContact O-N 3.35Å; G356-A359 VanDerWaalsContact O-N 3.11Å
357E91Very high93.6Very high148 Ų14850 Ų5069%0.69225%0.252SS*.G310 helixtrans-59.5-35.2179.7-163.8-170.8148.300113N280 A359 G360N280-E357 PolarHBondContact ND2-O 2.88Å; E357-A359 PolarHBondContact O-N 2.95Å; E357-A359 VanDerWaalsContact O-N 3.08Å; E357-G360 PolarHBondContact O-N 3.02Å
358A94.4Very high93.6Very high27 Ų2749.5 Ų49.522%0.22325%0.249CC..G310 helixtrans-65.1-13.7178.400000114.1N280 R281 R354 G356N280-A358 WeakPolarHBondContact CA-O 3.49Å; R281-A358 PolarHBondContact N-O 3.1Å; R354-A358 HydrophobicContact CB-CB 4.37Å; R354-A358 WeakPolarHBondContact CB-O 3.16Å; G356-A358 VanDerWaalsContact C-N 3.27Å; G356-A358 PolarHBondContact O-N 2.86Å
359A93.4Very high93.7Very high0 Ų043.8 Ų43.80%023%0.226CC..G310 helixtrans-94.96176.100000113.7R281 C322 R323 R354 G356 E357R281-A359 CarbonylContact O-C 3.58Å; C322-A359 HydrophobicContact CB-CB 3.9Å; R323-A359 HydrophobicContact CG-CB 4.03Å; R354-A359 HydrophobicContact CB-CB 4.04Å; R354-A359 WeakPolarHBondContact O-CB 3.31Å; G356-A359 WeakPolarHBondContact O-CB 3.39Å; G356-A359 PolarHBondContact O-N 3.35Å; G356-A359 VanDerWaalsContact O-N 3.11Å; E357-A359 PolarHBondContact O-N 2.95Å; E357-A359 VanDerWaalsContact O-N 3.08Å
360G92.9Very high93.9Very high0 Ų043.4 Ų43.40%023%0.226CC..  trans63.3-153.4-178.500000112.2R281 R323 E357R281-G360 WeakPolarHBondContact O-CA 3.29Å; R281-G360 PolarHBondContact O-N 2.99Å; R323-G360 PolarHBondContact NE-O 3.02Å; R323-G360 PolarHBondContact NH2-O 2.82Å; E357-G360 PolarHBondContact O-N 3.02Å
361Q93.6Very high94.1Very high96 Ų9637.5 Ų37.545%0.44920%0.203SC..SBendtrans-111.4-10.7-171.9-59.2-57.2-20.400115.3N286 G287 R323N286-Q361 HydrophobicContact CB-CB 3.58Å; G287-Q361 PolarHBondContact O-N 2.76Å; R323-Q361 PolarHBondContact NH1-O 3.29Å
362S93.5Very high94.2Very high2 Ų236.1 Ų36.11%0.01419%0.189CC..SBendtrans-126.2145.3178-70.90000111.7F283 M284 P285 N286F283-S362 WeakPolarHBondContact O-CB 3.34Å; M284-S362 VanDerWaalsContact O-CB 3.29Å; M284-S362 WeakPolarHBondContact O-CB 3.19Å; P285-S362 WeakPolarHBondContact CD-OG 3.41Å; N286-S362 WeakPolarHBondContact CB-OG 3.22Å; N286-S362 PolarHBondContact N-OG 2.96Å; N286-S362 PolarHBondContact ND2-OG 2.99Å
363P92.5Very high94.2Very high45 Ų4535 Ų3529%0.29218%0.183SC..  trans-70.6147.8174.431.1-34.3000111.8C322 R323 V324 V388C322-P363 VanDerWaalsContact O-CA 3.3Å; C322-P363 WeakPolarHBondContact O-CA 3.25Å; R323-P363 HydrophobicContact CB-CB 3.95Å; V324-P363 HydrophobicContact CG1-CB 3.57Å; P363-V388 HydrophobicContact CG-CG2 3.41Å; P363-V388 VanDerWaalsContact CG-CG2 3.41Å
364G93Very high94.1Very high2 Ų236.1 Ų36.12%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-176.3157.117700000112.3S321 C322 S385S321-G364 WeakPolarHBondContact CA-O 3.4Å; C322-G364 PolarHBondContact N-O 2.85Å; C322-G364 PolarHBondContact O-N 2.86Å; G364-S385 WeakPolarHBondContact CA-OG 3.46Å
365F94.5Very high93.9Very high18 Ų1837.6 Ų37.68%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-143.9164.8172.464.2-91.5000110.4Y320 V324 M328 C332 M384 S385 P397 V400Y320-F365 VanDerWaalsContact O-CA 3.26Å; Y320-F365 WeakPolarHBondContact O-CA 3.49Å; Y320-F365 WeakPolarHBondContact O-CB 3.09Å; V324-F365 HydrophobicContact CG2-CB 4.14Å; V324-F365 HydrophobicContact CG2-CD1 4.28Å; M328-F365 HydrophobicContact CB-CB 4.37Å; M328-F365 HydrophobicContact CB-CD1 3.91Å; M328-F365 HydrophobicContact CB-CD2 4.33Å; M328-F365 HydrophobicContact CB-CE1 4.26Å; M328-F365 HydrophobicContact CB-CG 3.94Å; M328-F365 HydrophobicContact CG-CD1 4.35Å; M328-F365 HydrophobicContact CG-CE1 4.47Å; C332-F365 VanDerWaalsContact SG-CD2 3.59Å; F365-M384 CarbonylContact O-C 3.13Å; F365-M384 WeakPolarHBondContact O-CA 3.48Å; F365-S385 PolarHBondContact N-OG 2.99Å; F365-S385 PolarHBondContact O-N 2.76Å; F365-S385 PolarHBondContact O-OG 2.81Å; F365-P397 HydrophobicContact CE2-CB 4.25Å; F365-P397 HydrophobicContact CE2-CG 4.11Å; F365-P397 HydrophobicContact CZ-CG 3.94Å; F365-V400 HydrophobicContact CE2-CG2 4.18Å
366G94.7Very high93.9Very high0 Ų031 Ų310%018%0.181CC..EExtended strand (participates in β ladder)trans-179.2179178.100000111.6A319 Y320 A383A319-G366 WeakPolarHBondContact CA-O 3.44Å; Y320-G366 VanDerWaalsContact CE2-CA 3.45Å; Y320-G366 VanDerWaalsContact CE2-N 3.34Å; Y320-G366 PolarHBondContact N-O 3.03Å; Y320-G366 PolarHBondContact O-N 2.93Å; Y320-G366 VanDerWaalsContact O-N 3.09Å; G366-A383 VanDerWaalsContact CA-O 3.24Å; G366-A383 WeakPolarHBondContact CA-O 3.35Å
367V95.7Very high94Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-143.8133.817960.70000110.6I318 A319 C332 F349 L369 E382 A383 V400 T404I318-V367 VanDerWaalsContact O-CA 3.32Å; I318-V367 WeakPolarHBondContact O-CA 3.45Å; A319-V367 HydrophobicContact CB-CB 4.43Å; A319-V367 HydrophobicContact CB-CG2 4.22Å; C332-V367 HydrophobicContact CB-CB 4.39Å; C332-V367 HydrophobicContact CB-CG1 4.18Å; F349-V367 HydrophobicContact CE1-CG2 4.07Å; V367-L369 HydrophobicContact CG2-CD2 4.47Å; V367-E382 WeakPolarHBondContact O-CA 3.47Å; V367-A383 PolarHBondContact N-O 2.62Å; V367-A383 PolarHBondContact O-N 3.19Å; V367-A383 VanDerWaalsContact O-N 3.13Å; V367-V400 HydrophobicContact CG1-CG1 4.5Å; V367-T404 HydrophobicContact CG1-CG2 4.13Å; V367-T404 VanDerWaalsContact CG1-OG1 3.3Å; V367-T404 WeakPolarHBondContact CG1-OG1 3.48Å; V367-T404 WeakPolarHBondContact O-CG2 3.37Å
368L95.5Very high94.2Very high2 Ų223.8 Ų23.81%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-103139.8169-17994.2000108.1D254 F258 G317 I318 I380 S381 E382D254-L368 HydrophobicContact CB-CD1 3.99Å; D254-L368 HydrophobicContact CB-CD2 4.15Å; F258-L368 HydrophobicContact CB-CD2 4.33Å; F258-L368 HydrophobicContact CD2-CD2 3.44Å; F258-L368 VanDerWaalsContact CD2-CD2 3.44Å; F258-L368 HydrophobicContact CE2-CD2 4.06Å; F258-L368 HydrophobicContact CG-CD2 4.1Å; G317-L368 CarbonylContact C-O 3.5Å; G317-L368 WeakPolarHBondContact CA-O 3.49Å; I318-L368 HydrophobicContact CB-CB 4.46Å; I318-L368 HydrophobicContact CD1-CD2 4.26Å; I318-L368 PolarHBondContact N-O 3.01Å; I318-L368 PolarHBondContact O-N 3.38Å; L368-I380 HydrophobicContact CD1-CG2 3.48Å; L368-I380 VanDerWaalsContact CD1-CG2 3.48Å; L368-I380 HydrophobicContact CG-CG2 4.31Å; L368-S381 CarbonylContact C-O 3.58Å; L368-S381 WeakPolarHBondContact CA-O 3.39Å; L368-E382 HydrophobicContact CD1-CB 4.06Å
369L96.7Very high94.2Very high0 Ų022.8 Ų22.80%012%0.123CC..EExtended strand (participates in β ladder)trans-117.8141.3162.7-55.3173.8000109.8V315 C336 V340 F349 V367 I380 S381 T404 A405 L408V315-L369 HydrophobicContact CG1-CD2 4.5Å; C336-L369 HydrophobicContact CB-CD1 4.43Å; C336-L369 HydrophobicContact CB-CD2 4.21Å; V340-L369 HydrophobicContact CG2-CD1 4.24Å; F349-L369 HydrophobicContact CD1-CD2 4.48Å; F349-L369 HydrophobicContact CE1-CD2 3.36Å; F349-L369 HydrophobicContact CZ-CD2 3.44Å; F349-L369 VanDerWaalsContact CZ-CD2 3.44Å; V367-L369 HydrophobicContact CG2-CD2 4.47Å; L369-I380 WeakPolarHBondContact O-CA 3.22Å; L369-S381 PolarHBondContact N-O 2.88Å; L369-S381 PolarHBondContact O-N 3.21Å; L369-T404 HydrophobicContact CB-CG2 4.42Å; L369-T404 HydrophobicContact CD1-CG2 3.91Å; L369-T404 HydrophobicContact CG-CG2 3.77Å; L369-A405 HydrophobicContact CD1-CB 4.39Å; L369-L408 HydrophobicContact CB-CD1 4.23Å; L369-L408 HydrophobicContact CB-CD2 3.88Å; L369-L408 HydrophobicContact CB-CG 4.46Å; L369-L408 HydrophobicContact CD1-CB 4.23Å; L369-L408 HydrophobicContact CD1-CD2 3.89Å
370S96Very high94.3Very high10 Ų1023.2 Ų23.27%0.0713%0.125CC..EExtended strand (participates in β ladder)trans-129.1116.2174.9-179.50000108.7V315 R316 Y379 I380V315-S370 CarbonylContact C-O 3.59Å; V315-S370 WeakPolarHBondContact CA-O 3.31Å; R316-S370 PolarHBondContact N-O 3.28Å; R316-S370 PolarHBondContact O-N 2.77Å; S370-Y379 WeakPolarHBondContact CA-O 3.45Å; S370-I380 VanDerWaalsContact OG-CD1 3.26Å; S370-I380 WeakPolarHBondContact OG-CD1 3.41Å
371A96.2Very high94.4Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-97.1117.917400000109.5V312 V315 F378 Y379 L408 I412V312-A371 HydrophobicContact CG1-CB 3.93Å; V312-A371 HydrophobicContact CG2-CB 4.47Å; V315-A371 HydrophobicContact CG2-CB 4.04Å; A371-F378 WeakPolarHBondContact O-CA 3.46Å; A371-Y379 HydrophobicContact CB-CD2 4.47Å; A371-Y379 PolarHBondContact N-O 3.48Å; A371-Y379 PolarHBondContact O-N 3.36Å; A371-L408 HydrophobicContact CB-CD1 4.02Å; A371-L408 HydrophobicContact CB-CD2 4.37Å; A371-L408 HydrophobicContact CB-CG 4.49Å; A371-I412 HydrophobicContact CB-CD1 4.03Å; A371-I412 HydrophobicContact CB-CG1 4.41Å
372E95.7Very high94.4Very high36 Ų3620.8 Ų20.817%0.16812%0.115CC..EExtended strand (participates in β ladder)trans-97.2130.5174.6-177-171.4111.200109.6R313 K314 F378R313-E372 PolarHBondContact N-O 2.95Å; K314-E372 WeakPolarHBondContact CE-OE1 3.26Å; K314-E372 WeakPolarHBondContact CE-OE2 3.43Å; K314-E372 HydrophobicContact CG-CB 4.02Å; K314-E372 PolarHBondContact N-O 3.23Å; K314-E372 IonicContact NZ-OE1 2.72Å; K314-E372 PolarHBondContact NZ-OE1 3.38Å; K314-E372 IonicContact NZ-OE2 3.39Å; K314-E372 PolarHBondContact NZ-OE2 3.5Å; K314-E372 PolarHBondContact O-N 2.88Å; E372-F378 HydrophobicContact CB-CD1 4.03Å; E372-F378 HydrophobicContact CB-CE1 3.7Å; E372-F378 HydrophobicContact CB-CZ 4.34Å; E372-F378 HydrophobicContact CG-CD1 4.3Å; E372-F378 HydrophobicContact CG-CE1 3.67Å; E372-F378 HydrophobicContact CG-CE2 4.49Å; E372-F378 HydrophobicContact CG-CZ 3.78Å; E372-F378 WeakPolarHBondContact OE2-CE1 3.5Å
373T95.3Very high94.5Very high2 Ų221.1 Ų21.11%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-92.3167.6177.258.80000113S309 Q311 V312 E375 G376 V377 Y379S309-T373 WeakPolarHBondContact O-CB 3.06Å; S309-T373 WeakPolarHBondContact O-CG2 3.47Å; S309-T373 PolarHBondContact O-OG1 2.87Å; Q311-T373 CarbonylContact O-C 3.53Å; Q311-T373 WeakPolarHBondContact O-CA 3.37Å; Q311-T373 VanDerWaalsContact O-CB 3.32Å; Q311-T373 WeakPolarHBondContact O-CB 3.28Å; V312-T373 HydrophobicContact CG2-CG2 4.23Å; T373-E375 PolarHBondContact O-N 3.22Å; T373-G376 WeakPolarHBondContact O-CA 3.34Å; T373-G376 PolarHBondContact O-N 3.26Å; T373-G376 PolarHBondContact OG1-N 3.02Å; T373-V377 HydrophobicContact CG2-CB 4.38Å; T373-V377 PolarHBondContact N-O 2.94Å; T373-V377 WeakPolarHBondContact OG1-CA 3.33Å; T373-V377 VanDerWaalsContact OG1-CB 3.28Å; T373-V377 WeakPolarHBondContact OG1-CB 3.42Å; T373-V377 PolarHBondContact OG1-N 3.19Å; T373-V377 PolarHBondContact OG1-O 2.79Å; T373-Y379 HydrophobicContact CG2-CD2 4.19Å; T373-Y379 HydrophobicContact CG2-CE2 3.59Å
374T93.4Very high94.5Very high82 Ų8221.3 Ų21.350%0.50312%0.115SC..THydrogen-bonded Turntrans-57.2-35.2172.750.10000113.1G310 Q311 R313 G376G310-T374 WeakPolarHBondContact CA-OG1 3.44Å; Q311-T374 PolarHBondContact N-OG1 2.86Å; Q311-T374 PolarHBondContact O-N 2.82Å; R313-T374 HydrophobicContact CB-CG2 4.35Å; T374-G376 PolarHBondContact O-N 3.39Å
375E90.7Very high94.4Very high103 Ų10321.9 Ų21.948%0.48112%0.119SC..THydrogen-bonded Turntrans-83.37.3175.9-61.4-55.7137.100113R266 T373 V377R266-E375 PolarHBondContact NH1-O 2.94Å; R266-E375 PolarHBondContact NH2-O 3.25Å; T373-E375 PolarHBondContact O-N 3.22Å; E375-V377 VanDerWaalsContact C-N 3.26Å; E375-V377 HydrophobicContact CB-CG2 4.43Å; E375-V377 PolarHBondContact O-N 3Å
376G90.8Very high94.3Very high21 Ų2123.5 Ų23.522%0.21613%0.128CC..  trans68.917.2-18000000114.8R266 T373 T374 F378R266-G376 PolarHBondContact NH2-O 3.04Å; T373-G376 WeakPolarHBondContact O-CA 3.34Å; T373-G376 PolarHBondContact O-N 3.26Å; T373-G376 PolarHBondContact OG1-N 3.02Å; T374-G376 PolarHBondContact O-N 3.39Å; G376-F378 WeakPolarHBondContact O-CD2 3.39Å; G376-F378 WeakPolarHBondContact O-CE2 3.17Å
377V93.8Very high93.9Very high5 Ų525.5 Ų25.53%0.0314%0.141CC..  trans-74.5139.9169.4-179.90000108.3T373 E375 Y379 C417T373-V377 HydrophobicContact CG2-CB 4.38Å; T373-V377 PolarHBondContact N-O 2.94Å; T373-V377 WeakPolarHBondContact OG1-CA 3.33Å; T373-V377 VanDerWaalsContact OG1-CB 3.28Å; T373-V377 WeakPolarHBondContact OG1-CB 3.42Å; T373-V377 PolarHBondContact OG1-N 3.19Å; T373-V377 PolarHBondContact OG1-O 2.79Å; E375-V377 VanDerWaalsContact C-N 3.26Å; E375-V377 HydrophobicContact CB-CG2 4.43Å; E375-V377 PolarHBondContact O-N 3Å; V377-Y379 HydrophobicContact CG1-CE1 4.28Å; V377-C417 VanDerWaalsContact CG1-C 3.47Å; V377-C417 WeakPolarHBondContact CG1-O 3.2Å; V377-C417 HydrophobicContact CG2-CB 4.28Å
378F95.3Very high93.2Very high49 Ų4929.5 Ų29.522%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-113.2127.9179.4-66-94000110P262 A371 E372 G376 I380P262-F378 HydrophobicContact CB-CD2 3.53Å; P262-F378 HydrophobicContact CB-CE2 3.62Å; P262-F378 HydrophobicContact CB-CG 4.39Å; P262-F378 HydrophobicContact CG-CD2 4.05Å; P262-F378 HydrophobicContact CG-CE2 4.14Å; P262-F378 HydrophobicContact CG-CG 4.49Å; A371-F378 WeakPolarHBondContact O-CA 3.46Å; E372-F378 HydrophobicContact CB-CD1 4.03Å; E372-F378 HydrophobicContact CB-CE1 3.7Å; E372-F378 HydrophobicContact CB-CZ 4.34Å; E372-F378 HydrophobicContact CG-CD1 4.3Å; E372-F378 HydrophobicContact CG-CE1 3.67Å; E372-F378 HydrophobicContact CG-CE2 4.49Å; E372-F378 HydrophobicContact CG-CZ 3.78Å; E372-F378 WeakPolarHBondContact OE2-CE1 3.5Å; G376-F378 WeakPolarHBondContact O-CD2 3.39Å; G376-F378 WeakPolarHBondContact O-CE2 3.17Å; F378-I380 HydrophobicContact CB-CD1 4.39Å
379Y95.8Very high92.1Very high5 Ų535.5 Ų35.52%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-106.5134.5167.2-53.2-69.8000109.1S309 S370 A371 T373 V377 E411 I412 G415 G416S309-Y379 WeakPolarHBondContact CB-OH 3.42Å; S370-Y379 WeakPolarHBondContact CA-O 3.45Å; A371-Y379 HydrophobicContact CB-CD2 4.47Å; A371-Y379 PolarHBondContact N-O 3.48Å; A371-Y379 PolarHBondContact O-N 3.36Å; T373-Y379 HydrophobicContact CG2-CD2 4.19Å; T373-Y379 HydrophobicContact CG2-CE2 3.59Å; V377-Y379 HydrophobicContact CG1-CE1 4.28Å; Y379-E411 HydrophobicContact CD1-CG 4.17Å; Y379-I412 HydrophobicContact CD2-CG1 3.81Å; Y379-I412 HydrophobicContact CE2-CG1 4.42Å; Y379-I412 HydrophobicContact CG-CG1 4.28Å; Y379-G415 WeakPolarHBondContact OH-CA 3.18Å; Y379-G416 WeakPolarHBondContact CE1-O 3.43Å; Y379-G416 PolarHBondContact OH-N 3.33Å; Y379-G416 PolarHBondContact OH-O 2.78Å
380I95.6Very high91.3Very high9 Ų937 Ų375%0.04621%0.208CC..EExtended strand (participates in β ladder)trans-121.2142.9-172.9-52.9-58.5000110.6L255 F258 L368 L369 S370 F378 D419L255-I380 HydrophobicContact CB-CG2 4.21Å; L255-I380 HydrophobicContact CD1-CG2 4.31Å; L255-I380 HydrophobicContact CG-CB 4.46Å; L255-I380 HydrophobicContact CG-CG2 3.99Å; F258-I380 HydrophobicContact CB-CD1 3.91Å; L368-I380 HydrophobicContact CD1-CG2 3.48Å; L368-I380 VanDerWaalsContact CD1-CG2 3.48Å; L368-I380 HydrophobicContact CG-CG2 4.31Å; L369-I380 WeakPolarHBondContact O-CA 3.22Å; S370-I380 VanDerWaalsContact OG-CD1 3.26Å; S370-I380 WeakPolarHBondContact OG-CD1 3.41Å; F378-I380 HydrophobicContact CB-CD1 4.39Å; I380-D419 PolarHBondContact N-OD1 3.22Å
381S94.9Very high90.3Very high7 Ų746.4 Ų46.45%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-142.6145168.964.20000110.2L368 L369 T404 L408L368-S381 CarbonylContact C-O 3.58Å; L368-S381 WeakPolarHBondContact CA-O 3.39Å; L369-S381 PolarHBondContact N-O 2.88Å; L369-S381 PolarHBondContact O-N 3.21Å; S381-T404 WeakPolarHBondContact OG-CG2 3.31Å; S381-T404 PolarHBondContact OG-O 3.32Å; S381-L408 WeakPolarHBondContact OG-CB 3.48Å
382E93.7Very high89.3Confident39 Ų3950.2 Ų50.218%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-140.9151.3173.461.4-174.4149.700111.8S252 V367 L368S252-E382 VanDerWaalsContact CB-CD 3.5Å; S252-E382 WeakPolarHBondContact CB-OE1 3.35Å; S252-E382 WeakPolarHBondContact CB-OE2 3.23Å; S252-E382 PolarHBondContact N-OE1 2.97Å; S252-E382 PolarHBondContact OG-OE1 3.38Å; S252-E382 PolarHBondContact OG-OE2 3.47Å; V367-E382 WeakPolarHBondContact O-CA 3.47Å; L368-E382 HydrophobicContact CD1-CB 4.06Å
383A93.9Very high88.5Confident8 Ų849.9 Ų49.97%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-139.7153.216000000110G366 V367 V400 E403 T404G366-A383 VanDerWaalsContact CA-O 3.24Å; G366-A383 WeakPolarHBondContact CA-O 3.35Å; V367-A383 PolarHBondContact N-O 2.62Å; V367-A383 PolarHBondContact O-N 3.19Å; V367-A383 VanDerWaalsContact O-N 3.13Å; A383-V400 HydrophobicContact CB-CG1 3.8Å; A383-E403 HydrophobicContact CB-CG 4.45Å; A383-T404 WeakPolarHBondContact CB-OG1 3.46Å; A383-T404 PolarHBondContact N-OG1 3.41Å
384M92.6Very high87.9Confident49 Ų4956 Ų5624%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-137.1159.1-176.572.8-170.585.200111.3N246 F365N246-M384 HydrophobicContact CB-CE 3.77Å; N246-M384 HydrophobicContact CB-SD 3.71Å; F365-M384 CarbonylContact O-C 3.13Å; F365-M384 WeakPolarHBondContact O-CA 3.48Å
385S92.5Very high87.7Confident15 Ų1553 Ų5311%0.10530%0.301CS..PPolyproline II helixtrans-64.7144.2173.960.40000112.1G364 F365G364-S385 WeakPolarHBondContact CA-OG 3.46Å; F365-S385 PolarHBondContact N-OG 2.99Å; F365-S385 PolarHBondContact O-N 2.76Å; F365-S385 PolarHBondContact O-OG 2.81Å
386N90.8Very high87.7Confident51 Ų5151 Ų5127%0.27330%0.295SS..PPolyproline II helixtrans-53.9147169.9-63.7-28000112L392 G393N386-L392 WeakPolarHBondContact ND2-CB 3.46Å; N386-G393 WeakPolarHBondContact CB-O 3.26Å; N386-G393 PolarHBondContact ND2-O 2.7Å
387P86.5Confident87.9Confident42 Ų4250.3 Ų50.327%0.27329%0.287SS..PPolyproline II helixtrans-59.5148.5169.7-21.232.6000112M284 D389 S390M284-P387 HydrophobicContact CB-CB 4.16Å; M284-P387 HydrophobicContact CB-CG 4.09Å; M284-P387 HydrophobicContact CE-CG 4.21Å; P387-D389 PolarHBondContact O-N 2.88Å; P387-S390 WeakPolarHBondContact O-CB 3.45Å; P387-S390 PolarHBondContact O-N 3.38Å; P387-S390 VanDerWaalsContact O-N 3.1Å; P387-S390 PolarHBondContact O-OG 3.31Å
388V81Confident87.9Confident84 Ų8453.1 Ų53.151%0.50930%0.299SS..THydrogen-bonded Turntrans-51.1-43-174.7-176.80000112.9P363P363-V388 HydrophobicContact CG-CG2 3.41Å; P363-V388 VanDerWaalsContact CG-CG2 3.41Å
389D73.8Confident87.7Confident129 Ų12956.8 Ų56.869%0.6932%0.317SS*.THydrogen-bonded Turntrans-103.521.2-173-45.7-65000112.5P387P387-D389 PolarHBondContact O-N 2.88Å
390S78.9Confident87.6Confident31 Ų3156.8 Ų56.822%0.21732%0.318CS..  trans-84.6145.4177.271.10000112.4P387 L392 G393P387-S390 WeakPolarHBondContact O-CB 3.45Å; P387-S390 PolarHBondContact O-N 3.38Å; P387-S390 VanDerWaalsContact O-N 3.1Å; P387-S390 PolarHBondContact O-OG 3.31Å; S390-L392 PolarHBondContact O-N 2.82Å; S390-G393 PolarHBondContact O-N 3.02Å; S390-G393 VanDerWaalsContact O-N 3.14Å
391E75.5Confident87.6Confident208 Ų20856.4 Ų56.497%0.97232%0.316SS*.THydrogen-bonded Turntrans-57.2-14.4177.8-58.4-179163.900114.4
392L74.6Confident87.5Confident80 Ų8058.2 Ų58.242%0.41933%0.328SS..THydrogen-bonded Turntrans-81.7-12.7-177.7-56.6167.3000113.5N386 S390 R741N386-L392 WeakPolarHBondContact ND2-CB 3.46Å; S390-L392 PolarHBondContact O-N 2.82Å; L392-R741 VanDerWaalsContact CD1-NH1 3.27Å
393G79.1Confident87.5Confident28 Ų2861.5 Ų61.529%0.28934%0.344SS..  trans66.5-172.8-175.700000114.4N386 S390 A395N386-G393 WeakPolarHBondContact CB-O 3.26Å; N386-G393 PolarHBondContact ND2-O 2.7Å; S390-G393 PolarHBondContact O-N 3.02Å; S390-G393 VanDerWaalsContact O-N 3.14Å; G393-A395 PolarHBondContact O-N 2.79Å
394P82.8Confident87.6Confident130 Ų13061.1 Ų61.184%0.84434%0.341SS*.PPolyproline II helixtrans-70.8128-174.928.5-34.5000112.2
395A88.1Confident87.8Confident21 Ų2158.8 Ų58.817%0.17433%0.329CS..PPolyproline II helixtrans-70.5141.6177.900000112.6G393 V400G393-A395 PolarHBondContact O-N 2.79Å; A395-V400 HydrophobicContact CB-CG2 3.99Å
396V92.3Very high87.9Confident61 Ų6162.5 Ų62.537%0.3735%0.348SS..PPolyproline II helixtrans-82.5124.5175.6-1790000110E398 Q399 V400V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 HydrophobicContact CG1-CB 4.42Å; V396-E398 WeakPolarHBondContact CG1-OE2 3.24Å; V396-E398 PolarHBondContact O-N 3.22Å; V396-Q399 HydrophobicContact CB-CB 4.21Å; V396-Q399 HydrophobicContact CB-CG 3.98Å; V396-Q399 HydrophobicContact CG1-CG 4.32Å; V396-Q399 WeakPolarHBondContact O-CB 3.4Å; V396-Q399 PolarHBondContact O-N 2.92Å; V396-V400 PolarHBondContact O-N 2.88Å
397P93.4Very high88Confident6 Ų662.5 Ų62.54%0.03935%0.352CS..Hα-helixtrans-53.9-39.8-178-30.737.4000115.3M328 R331 C332 F365 Q399 V400 G401M328-P397 HydrophobicContact CB-CG 4.45Å; M328-P397 HydrophobicContact SD-CG 3.77Å; R331-P397 HydrophobicContact CB-CB 3.6Å; R331-P397 HydrophobicContact CB-CG 4.42Å; C332-P397 WeakPolarHBondContact CA-O 3.33Å; C332-P397 PolarHBondContact SG-O 2.69Å; F365-P397 HydrophobicContact CE2-CB 4.25Å; F365-P397 HydrophobicContact CE2-CG 4.11Å; F365-P397 HydrophobicContact CZ-CG 3.94Å; P397-Q399 VanDerWaalsContact C-N 3.32Å; P397-Q399 PolarHBondContact O-N 3.5Å; P397-V400 PolarHBondContact O-N 3.09Å; P397-G401 PolarHBondContact O-N 3.5Å
398E94.6Very high88.5Confident63 Ų6360.5 Ų60.529%0.29434%0.339SS..Hα-helixtrans-67.1-32.9178.8-67.171.8-162.100112.2R331 T335 V396 S402R331-E398 IonicContact CZ-OE1 3.04Å; R331-E398 VanDerWaalsContact CZ-OE1 3.3Å; R331-E398 IonicContact CZ-OE2 3.18Å; R331-E398 IonicContact NE-OE1 2.73Å; R331-E398 PolarHBondContact NE-OE1 3.35Å; R331-E398 IonicContact NE-OE2 2.67Å; R331-E398 VanDerWaalsContact NH2-CD 3.29Å; R331-E398 IonicContact NH2-OE1 2.98Å; R331-E398 PolarHBondContact NH2-OE1 2.87Å; R331-E398 IonicContact NH2-OE2 2.8Å; R331-E398 PolarHBondContact NH2-OE2 3.37Å; T335-E398 WeakPolarHBondContact CG2-O 3.41Å; V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 HydrophobicContact CG1-CB 4.42Å; V396-E398 WeakPolarHBondContact CG1-OE2 3.24Å; V396-E398 PolarHBondContact O-N 3.22Å; E398-S402 WeakPolarHBondContact O-CB 3.19Å; E398-S402 PolarHBondContact O-N 2.98Å; E398-S402 PolarHBondContact O-OG 3.31Å
399Q92.1Very high89.1Confident126 Ų12659.3 Ų59.359%0.58933%0.327SS*.Hα-helixtrans-69.9-48.6175.9-69.8177.6-25.100110.6V396 P397 G401 S402 E403V396-Q399 HydrophobicContact CB-CB 4.21Å; V396-Q399 HydrophobicContact CB-CG 3.98Å; V396-Q399 HydrophobicContact CG1-CG 4.32Å; V396-Q399 WeakPolarHBondContact O-CB 3.4Å; V396-Q399 PolarHBondContact O-N 2.92Å; P397-Q399 VanDerWaalsContact C-N 3.32Å; P397-Q399 PolarHBondContact O-N 3.5Å; Q399-G401 VanDerWaalsContact C-N 3.26Å; Q399-G401 PolarHBondContact O-N 2.63Å; Q399-S402 PolarHBondContact O-N 3.22Å; Q399-E403 WeakPolarHBondContact O-CB 3.26Å; Q399-E403 PolarHBondContact O-N 3.05Å
400V93.5Very high90Very high6 Ų655.2 Ų55.24%0.03631%0.308CS..Hα-helixtrans-55.6-42.2175.5178.50000111.1F365 V367 A383 A395 V396 P397 T404F365-V400 HydrophobicContact CE2-CG2 4.18Å; V367-V400 HydrophobicContact CG1-CG1 4.5Å; A383-V400 HydrophobicContact CB-CG1 3.8Å; A395-V400 HydrophobicContact CB-CG2 3.99Å; V396-V400 PolarHBondContact O-N 2.88Å; P397-V400 PolarHBondContact O-N 3.09Å; V400-T404 PolarHBondContact O-N 3.28Å; V400-T404 VanDerWaalsContact O-N 3.14Å; V400-T404 PolarHBondContact O-OG1 2.91Å
401G94.9Very high90.7Very high0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-66.5-41.4174.800000113.9C336 P397 Q399 A405C336-G401 WeakPolarHBondContact SG-CA 3.47Å; C336-G401 PolarHBondContact SG-O 3.15Å; P397-G401 PolarHBondContact O-N 3.5Å; Q399-G401 VanDerWaalsContact C-N 3.26Å; Q399-G401 PolarHBondContact O-N 2.63Å; G401-A405 PolarHBondContact O-N 2.9Å
402S93.4Very high91.5Very high45 Ų4546.8 Ų46.832%0.31527%0.266SS..Hα-helixtrans-65.5-46.3177.9-57.80000112T335 E398 Q399 T404 A405 L406T335-S402 VanDerWaalsContact CG2-OG 3.23Å; T335-S402 WeakPolarHBondContact CG2-OG 3.43Å; E398-S402 WeakPolarHBondContact O-CB 3.19Å; E398-S402 PolarHBondContact O-N 2.98Å; E398-S402 PolarHBondContact O-OG 3.31Å; Q399-S402 PolarHBondContact O-N 3.22Å; S402-T404 VanDerWaalsContact C-N 3.33Å; S402-T404 PolarHBondContact O-N 3.07Å; S402-A405 PolarHBondContact O-N 3.42Å; S402-L406 WeakPolarHBondContact O-CG 3.37Å; S402-L406 PolarHBondContact O-N 3.11Å
403E93.9Very high92.3Very high108 Ų10849.9 Ų49.951%0.50527%0.273SS..Hα-helixtrans-59.7-42178.1-177.1176.7-169.500111.7A383 Q399 S407A383-E403 HydrophobicContact CB-CG 4.45Å; Q399-E403 WeakPolarHBondContact O-CB 3.26Å; Q399-E403 PolarHBondContact O-N 3.05Å; E403-S407 VanDerWaalsContact O-CB 3.28Å; E403-S407 WeakPolarHBondContact O-CB 3.41Å; E403-S407 PolarHBondContact O-N 2.97Å; E403-S407 PolarHBondContact O-OG 2.9Å
404T95.7Very high92.7Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-64.3-45.8177.1-50.70000111.3V367 L369 S381 A383 V400 S402 S407 L408V367-T404 HydrophobicContact CG1-CG2 4.13Å; V367-T404 VanDerWaalsContact CG1-OG1 3.3Å; V367-T404 WeakPolarHBondContact CG1-OG1 3.48Å; V367-T404 WeakPolarHBondContact O-CG2 3.37Å; L369-T404 HydrophobicContact CB-CG2 4.42Å; L369-T404 HydrophobicContact CD1-CG2 3.91Å; L369-T404 HydrophobicContact CG-CG2 3.77Å; S381-T404 WeakPolarHBondContact OG-CG2 3.31Å; S381-T404 PolarHBondContact OG-O 3.32Å; A383-T404 WeakPolarHBondContact CB-OG1 3.46Å; A383-T404 PolarHBondContact N-OG1 3.41Å; V400-T404 PolarHBondContact O-N 3.28Å; V400-T404 VanDerWaalsContact O-N 3.14Å; V400-T404 PolarHBondContact O-OG1 2.91Å; S402-T404 VanDerWaalsContact C-N 3.33Å; S402-T404 PolarHBondContact O-N 3.07Å; T404-S407 PolarHBondContact O-N 3.28Å; T404-L408 PolarHBondContact O-N 2.82Å
405A95.3Very high92.9Very high1 Ų147.2 Ų47.21%0.00824%0.238CC..Hα-helixtrans-63.7-43.4179.200000112.4L369 G401 S402 S407 L408 F409L369-A405 HydrophobicContact CD1-CB 4.39Å; G401-A405 PolarHBondContact O-N 2.9Å; S402-A405 PolarHBondContact O-N 3.42Å; A405-S407 VanDerWaalsContact C-N 3.35Å; A405-L408 WeakPolarHBondContact O-CB 3.4Å; A405-L408 PolarHBondContact O-N 3.48Å; A405-F409 HydrophobicContact CB-CE2 4.49Å; A405-F409 VanDerWaalsContact O-CD2 3.25Å; A405-F409 WeakPolarHBondContact O-CD2 3.42Å; A405-F409 VanDerWaalsContact O-CG 3.24Å; A405-F409 WeakPolarHBondContact O-CG 3.35Å; A405-F409 PolarHBondContact O-N 3Å; A405-F409 VanDerWaalsContact O-N 3.08Å
406L95.2Very high93Very high93 Ų9346.3 Ų46.349%0.48723%0.231SC..Hα-helixtrans-64-39.2175.1-69172.7000112.1S402 F409 S410S402-L406 WeakPolarHBondContact O-CG 3.37Å; S402-L406 PolarHBondContact O-N 3.11Å; L406-F409 HydrophobicContact CD2-CD2 4.49Å; L406-F409 PolarHBondContact O-N 3.41Å; L406-S410 PolarHBondContact O-N 2.91Å
407S94Very high93Very high51 Ų5143.5 Ų43.536%0.35721%0.214SC..Hα-helixtrans-63.9-40.8175.6-62.10000111.9E403 T404 A405 F409 S410 E411E403-S407 VanDerWaalsContact O-CB 3.28Å; E403-S407 WeakPolarHBondContact O-CB 3.41Å; E403-S407 PolarHBondContact O-N 2.97Å; E403-S407 PolarHBondContact O-OG 2.9Å; T404-S407 PolarHBondContact O-N 3.28Å; A405-S407 VanDerWaalsContact C-N 3.35Å; S407-F409 PolarHBondContact O-N 2.92Å; S407-S410 WeakPolarHBondContact O-CB 3.32Å; S407-S410 PolarHBondContact O-N 2.84Å; S407-E411 PolarHBondContact O-N 3.11Å
408L95.9Very high93Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-60.2-45.7173.2-169.568.6000111.7V315 L369 A371 S381 T404 A405 S410 E411 I412V315-L408 HydrophobicContact CG1-CD2 4.26Å; V315-L408 HydrophobicContact CG2-CD2 4.39Å; L369-L408 HydrophobicContact CB-CD1 4.23Å; L369-L408 HydrophobicContact CB-CD2 3.88Å; L369-L408 HydrophobicContact CB-CG 4.46Å; L369-L408 HydrophobicContact CD1-CB 4.23Å; L369-L408 HydrophobicContact CD1-CD2 3.89Å; A371-L408 HydrophobicContact CB-CD1 4.02Å; A371-L408 HydrophobicContact CB-CD2 4.37Å; A371-L408 HydrophobicContact CB-CG 4.49Å; S381-L408 WeakPolarHBondContact OG-CB 3.48Å; T404-L408 PolarHBondContact O-N 2.82Å; A405-L408 WeakPolarHBondContact O-CB 3.4Å; A405-L408 PolarHBondContact O-N 3.48Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 2.8Å; L408-E411 PolarHBondContact O-N 3.12Å; L408-I412 HydrophobicContact CD1-CD1 4.47Å; L408-I412 HydrophobicContact CD2-CD1 4.26Å; L408-I412 HydrophobicContact CG-CD1 3.82Å; L408-I412 HydrophobicContact CG-CG1 4.5Å; L408-I412 VanDerWaalsContact O-CG1 3.31Å; L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 2.97Å
409F94.9Very high92.8Very high58 Ų5840.8 Ų40.825%0.25420%0.201SC..Hα-helixtrans-64-38.9178.8-60-31.9000111.7V340 Y343 A405 L406 S407 E411 I412 Y413V340-F409 HydrophobicContact CG2-CE1 4.22Å; V340-F409 HydrophobicContact CG2-CZ 4.16Å; Y343-F409 HydrophobicContact CD2-CE1 4.25Å; Y343-F409 AromaticContact CD2-CZ 3.92Å; Y343-F409 HydrophobicContact CD2-CZ 3.92Å; Y343-F409 HydrophobicContact CE2-CE2 4.29Å; Y343-F409 HydrophobicContact CE2-CZ 4.08Å; A405-F409 HydrophobicContact CB-CE2 4.49Å; A405-F409 VanDerWaalsContact O-CD2 3.25Å; A405-F409 WeakPolarHBondContact O-CD2 3.42Å; A405-F409 VanDerWaalsContact O-CG 3.24Å; A405-F409 WeakPolarHBondContact O-CG 3.35Å; A405-F409 PolarHBondContact O-N 3Å; A405-F409 VanDerWaalsContact O-N 3.08Å; L406-F409 HydrophobicContact CD2-CD2 4.49Å; L406-F409 PolarHBondContact O-N 3.41Å; S407-F409 PolarHBondContact O-N 2.92Å; F409-E411 VanDerWaalsContact C-N 3.34Å; F409-E411 PolarHBondContact O-N 3.13Å; F409-I412 PolarHBondContact O-N 2.92Å; F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 3.12Å
410S92.5Very high92.9Very high43 Ų4336.2 Ų36.230%0.30118%0.182SC..Hα-helixtrans-60.7-40.6173.3-172.60000112.3L406 S407 L408 Y413 R414L406-S410 PolarHBondContact O-N 2.91Å; S407-S410 WeakPolarHBondContact O-CB 3.32Å; S407-S410 PolarHBondContact O-N 2.84Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-S410 PolarHBondContact O-N 2.8Å; S410-Y413 PolarHBondContact O-N 2.93Å; S410-R414 WeakPolarHBondContact O-CG 3.47Å; S410-R414 PolarHBondContact O-N 3.3Å
411E92.7Very high92.8Very high11 Ų1138.7 Ų38.75%0.05120%0.197CC..Hα-helixtrans-73.1-41.5179.2-164.158.8-156.200112.5Y379 S407 L408 F409 Y413 R414 G415 T420Y379-E411 HydrophobicContact CD1-CG 4.17Å; S407-E411 PolarHBondContact O-N 3.11Å; L408-E411 PolarHBondContact O-N 3.12Å; F409-E411 VanDerWaalsContact C-N 3.34Å; F409-E411 PolarHBondContact O-N 3.13Å; E411-Y413 PolarHBondContact O-N 2.72Å; E411-R414 PolarHBondContact O-N 2.73Å; E411-R414 WeakPolarHBondContact OE2-CD 3.29Å; E411-R414 IonicContact OE2-CZ 3.76Å; E411-R414 IonicContact OE2-NE 3.24Å; E411-R414 IonicContact OE2-NH1 3.28Å; E411-R414 PolarHBondContact OE2-NH1 2.86Å; E411-G415 PolarHBondContact O-N 2.81Å; E411-T420 VanDerWaalsContact CD-OG1 3.3Å; E411-T420 WeakPolarHBondContact OE1-CB 3.24Å; E411-T420 PolarHBondContact OE1-N 3.41Å; E411-T420 PolarHBondContact OE1-OG1 3.31Å; E411-T420 PolarHBondContact OE2-OG1 2.94Å
412I92.7Very high92.8Very high51 Ų5138.7 Ų38.726%0.26220%0.198SC..Hα-helixtrans-60.2-37.8170.9-67.1164.2000110.8V312 A371 Y379 L408 F409 G415V312-I412 HydrophobicContact CG2-CD1 4.06Å; V312-I412 HydrophobicContact CG2-CG1 4.13Å; V312-I412 HydrophobicContact CG2-CG2 4.02Å; A371-I412 HydrophobicContact CB-CD1 4.03Å; A371-I412 HydrophobicContact CB-CG1 4.41Å; Y379-I412 HydrophobicContact CD2-CG1 3.81Å; Y379-I412 HydrophobicContact CE2-CG1 4.42Å; Y379-I412 HydrophobicContact CG-CG1 4.28Å; L408-I412 HydrophobicContact CD1-CD1 4.47Å; L408-I412 HydrophobicContact CD2-CD1 4.26Å; L408-I412 HydrophobicContact CG-CD1 3.82Å; L408-I412 HydrophobicContact CG-CG1 4.5Å; L408-I412 VanDerWaalsContact O-CG1 3.31Å; L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 2.97Å; F409-I412 PolarHBondContact O-N 2.92Å; I412-G415 PolarHBondContact O-N 2.85Å
413Y90.5Very high92.9Very high145 Ų14536.6 Ų36.657%0.56918%0.183SC*.Hα-helixtrans-67.9-41.1178-178.4-89.2000112.4F409 S410 E411 G415 L491F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 3.12Å; S410-Y413 PolarHBondContact O-N 2.93Å; E411-Y413 PolarHBondContact O-N 2.72Å; Y413-G415 VanDerWaalsContact C-N 3.32Å; Y413-L491 HydrophobicContact CD1-CD2 4.14Å; Y413-L491 HydrophobicContact CD2-CD2 3.45Å; Y413-L491 VanDerWaalsContact CD2-CD2 3.45Å; Y413-L491 HydrophobicContact CE1-CD2 3.95Å; Y413-L491 HydrophobicContact CE2-CD2 3.24Å; Y413-L491 HydrophobicContact CG-CD2 3.9Å; Y413-L491 VanDerWaalsContact CZ-CD2 3.5Å; Y413-L491 WeakPolarHBondContact O-CD1 3.16Å; Y413-L491 WeakPolarHBondContact O-CD2 3.32Å
414R88.5Confident92.9Very high102 Ų10231.6 Ų31.639%0.38516%0.16SC..Hα-helixtrans-59-47.4168-71170-175.9144.30.4110.7S410 E411 K494S410-R414 WeakPolarHBondContact O-CG 3.47Å; S410-R414 PolarHBondContact O-N 3.3Å; E411-R414 PolarHBondContact O-N 2.73Å; E411-R414 WeakPolarHBondContact OE2-CD 3.29Å; E411-R414 IonicContact OE2-CZ 3.76Å; E411-R414 IonicContact OE2-NE 3.24Å; E411-R414 IonicContact OE2-NH1 3.28Å; E411-R414 PolarHBondContact OE2-NH1 2.86Å; R414-K494 VanDerWaalsContact O-CE 3.27Å; R414-K494 WeakPolarHBondContact O-CE 3.4Å
415G87.1Confident92.9Very high1 Ų131.6 Ų31.61%0.0116%0.16CC..  trans59.5-161.4-179.400000113.5Y379 E411 I412 Y413 G443Y379-G415 WeakPolarHBondContact OH-CA 3.18Å; E411-G415 PolarHBondContact O-N 2.81Å; I412-G415 PolarHBondContact O-N 2.85Å; Y413-G415 VanDerWaalsContact C-N 3.32Å; G415-G443 WeakPolarHBondContact O-CA 3.42Å; G415-G443 PolarHBondContact O-N 3.25Å; G415-G443 VanDerWaalsContact O-N 3.08Å
416G89.9Confident92.9Very high1 Ų131.5 Ų31.51%0.0116%0.159CC..SBendtrans106176.8-171.800000111.1S309 Y379 V441S309-G416 WeakPolarHBondContact CB-O 3.48Å; Y379-G416 WeakPolarHBondContact CE1-O 3.43Å; Y379-G416 PolarHBondContact OH-N 3.33Å; Y379-G416 PolarHBondContact OH-O 2.78Å; G416-V441 CarbonylContact C-O 3.59Å
417C92.7Very high92.9Very high3 Ų327.1 Ų27.12%0.0214%0.136CC..SBendtrans-93.53.2-170.3-55.60000113.5L306 T308 V377 L440 V441L306-C417 HydrophobicContact CB-CB 3.7Å; L306-C417 HydrophobicContact CD1-CB 4.32Å; L306-C417 PolarHBondContact O-SG 2.92Å; L306-C417 VanDerWaalsContact O-SG 3.32Å; T308-C417 VanDerWaalsContact C-SG 3.52Å; V377-C417 VanDerWaalsContact CG1-C 3.47Å; V377-C417 WeakPolarHBondContact CG1-O 3.2Å; V377-C417 HydrophobicContact CG2-CB 4.28Å; C417-L440 HydrophobicContact CB-CD1 3.65Å; C417-V441 WeakPolarHBondContact CB-O 3.47Å; C417-V441 PolarHBondContact N-O 3.28Å; C417-V441 PolarHBondContact SG-O 3.1Å; C417-V441 VanDerWaalsContact SG-O 3.34Å
418C92Very high92.9Very high6 Ų624.7 Ų24.74%0.04112%0.119CC..SBendtrans-147.3154.616670.50000110L263 A422L263-C418 HydrophobicContact CD1-CB 4.42Å; L263-C418 HydrophobicContact CD2-CB 4.17Å; C418-A422 HydrophobicContact CB-CB 4.34Å
419D92.1Very high92.8Very high5 Ų524.7 Ų24.73%0.02712%0.119CC..  trans-57.4148.8169-170.399.7000112I380 T421 A422 Q423I380-D419 PolarHBondContact N-OD1 3.22Å; D419-T421 PolarHBondContact O-N 2.92Å; D419-T421 WeakPolarHBondContact OD2-CB 3.25Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.47Å; D419-T421 PolarHBondContact OD2-N 2.65Å; D419-T421 PolarHBondContact OD2-OG1 2.9Å; D419-A422 HydrophobicContact CB-CB 4.21Å; D419-A422 WeakPolarHBondContact O-CA 3.47Å; D419-A422 WeakPolarHBondContact O-CB 3.5Å; D419-A422 PolarHBondContact O-N 2.78Å; D419-Q423 PolarHBondContact O-N 3.33Å
420T92.7Very high92.7Very high31 Ų3122.1 Ų22.119%0.1911%0.108CC..G310 helixtrans-54.5-38.8178.3-63.40000112.1E411 A422 Q423E411-T420 VanDerWaalsContact CD-OG1 3.3Å; E411-T420 WeakPolarHBondContact OE1-CB 3.24Å; E411-T420 PolarHBondContact OE1-N 3.41Å; E411-T420 PolarHBondContact OE1-OG1 3.31Å; E411-T420 PolarHBondContact OE2-OG1 2.94Å; T420-A422 VanDerWaalsContact C-N 3.26Å; T420-A422 PolarHBondContact O-N 3.48Å; T420-Q423 WeakPolarHBondContact O-CG 3.45Å; T420-Q423 PolarHBondContact O-N 3.02Å
421T92Very high92.6Very high57 Ų5720.8 Ų20.835%0.3510%0.099SC..G310 helixtrans-68.6-25.7177.265.20000113.1L255 W260 D419L255-T421 HydrophobicContact CD1-CG2 4.06Å; L255-T421 HydrophobicContact CD2-CG2 4.44Å; W260-T421 WeakPolarHBondContact CZ2-O 3.45Å; W260-T421 PolarHBondContact NE1-OG1 2.89Å; W260-T421 VanDerWaalsContact NE1-OG1 3.09Å; D419-T421 PolarHBondContact O-N 2.92Å; D419-T421 WeakPolarHBondContact OD2-CB 3.25Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.47Å; D419-T421 PolarHBondContact OD2-N 2.65Å; D419-T421 PolarHBondContact OD2-OG1 2.9Å
422A94.5Very high92.5Very high1 Ų122.5 Ų22.51%0.00811%0.108CC..G310 helixtrans-90.9-3.9-176.200000113.3L263 C418 D419 T420 C424 L425 A426L263-A422 HydrophobicContact CD2-CB 3.77Å; C418-A422 HydrophobicContact CB-CB 4.34Å; D419-A422 HydrophobicContact CB-CB 4.21Å; D419-A422 WeakPolarHBondContact O-CA 3.47Å; D419-A422 WeakPolarHBondContact O-CB 3.5Å; D419-A422 PolarHBondContact O-N 2.78Å; T420-A422 VanDerWaalsContact C-N 3.26Å; T420-A422 PolarHBondContact O-N 3.48Å; A422-C424 PolarHBondContact O-N 3.5Å; A422-L425 WeakPolarHBondContact O-CB 3.32Å; A422-L425 PolarHBondContact O-N 2.77Å; A422-L425 VanDerWaalsContact O-N 3.14Å; A422-A426 PolarHBondContact O-N 2.94Å
423Q94.9Very high92Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-53.5-50.5-177.6-71178.9-0.200112.3D419 T420 L425 A426 V427 I442 P444 S446 C449D419-Q423 PolarHBondContact O-N 3.33Å; T420-Q423 WeakPolarHBondContact O-CG 3.45Å; T420-Q423 PolarHBondContact O-N 3.02Å; Q423-L425 VanDerWaalsContact C-N 3.32Å; Q423-L425 PolarHBondContact O-N 2.91Å; Q423-A426 PolarHBondContact O-N 3.03Å; Q423-V427 WeakPolarHBondContact O-CB 3.28Å; Q423-V427 VanDerWaalsContact O-CG2 3.28Å; Q423-V427 WeakPolarHBondContact O-CG2 3.35Å; Q423-V427 PolarHBondContact O-N 2.68Å; Q423-I442 HydrophobicContact CG-CD1 4.33Å; Q423-P444 PolarHBondContact NE2-O 2.69Å; Q423-S446 PolarHBondContact OE1-OG 3.02Å; Q423-C449 HydrophobicContact CB-CB 4Å
424C95.4Very high91Very high3 Ų320 Ų202%0.0210%0.103CC..Hα-helixtrans-62.9-36.9179.7-62.40000112.8Y228 A422 L428 Y448 C449 F452Y228-C424 WeakPolarHBondContact OH-CB 3.47Å; A422-C424 PolarHBondContact O-N 3.5Å; C424-L428 VanDerWaalsContact O-CB 3.28Å; C424-L428 WeakPolarHBondContact O-CB 3.4Å; C424-L428 PolarHBondContact O-N 3.43Å; C424-Y448 VanDerWaalsContact SG-CD1 3.54Å; C424-C449 VanDerWaalsContact SG-CA 3.57Å; C424-F452 HydrophobicContact CB-CB 4.49Å; C424-F452 HydrophobicContact CB-CD1 4.03Å; C424-F452 HydrophobicContact CB-CD2 4.08Å; C424-F452 HydrophobicContact CB-CE1 4.24Å; C424-F452 HydrophobicContact CB-CE2 4.32Å; C424-F452 HydrophobicContact CB-CG 3.95Å; C424-F452 HydrophobicContact CB-CZ 4.4Å; C424-F452 VanDerWaalsContact O-CE1 3.22Å; C424-F452 WeakPolarHBondContact O-CE1 3.2Å
425L95.7Very high89.7Confident0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-64.2-45.6176.3-176.762000111.2C227 Y228 W260 L263 M264 A422 Q423 F429C227-L425 HydrophobicContact CB-CD1 4.48Å; Y228-L425 HydrophobicContact CD1-CB 4.44Å; Y228-L425 HydrophobicContact CD1-CD1 3.58Å; Y228-L425 HydrophobicContact CE1-CB 3.85Å; Y228-L425 HydrophobicContact CE1-CD1 3.85Å; Y228-L425 HydrophobicContact CE1-CG 4.45Å; W260-L425 HydrophobicContact CB-CD2 3.64Å; W260-L425 HydrophobicContact CD2-CD2 4.13Å; W260-L425 HydrophobicContact CE3-CD2 4.33Å; W260-L425 HydrophobicContact CG-CD2 3.86Å; L263-L425 HydrophobicContact CD2-CD2 4.41Å; L263-L425 HydrophobicContact CD2-CG 4.49Å; M264-L425 HydrophobicContact CG-CD1 4.39Å; M264-L425 HydrophobicContact CG-CD2 3.82Å; M264-L425 HydrophobicContact CG-CG 4.42Å; M264-L425 HydrophobicContact SD-CD2 4.38Å; A422-L425 WeakPolarHBondContact O-CB 3.32Å; A422-L425 PolarHBondContact O-N 2.77Å; A422-L425 VanDerWaalsContact O-N 3.14Å; Q423-L425 VanDerWaalsContact C-N 3.32Å; Q423-L425 PolarHBondContact O-N 2.91Å; L425-F429 HydrophobicContact CD1-CD1 4.47Å; L425-F429 HydrophobicContact CD1-CD2 4.49Å; L425-F429 HydrophobicContact CD1-CE1 3.86Å; L425-F429 HydrophobicContact CD1-CE2 3.91Å; L425-F429 HydrophobicContact CD1-CZ 3.54Å; L425-F429 HydrophobicContact CG-CE2 4.46Å; L425-F429 WeakPolarHBondContact O-CG 3.19Å; L425-F429 PolarHBondContact O-N 3.14Å; L425-F429 VanDerWaalsContact O-N 3.17Å
426A95Very high88.6Confident0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-60.8-51.5176.800000111.1L263 A422 Q423 L428 F429 M430 L440L263-A426 HydrophobicContact CD2-CB 3.86Å; A422-A426 PolarHBondContact O-N 2.94Å; Q423-A426 PolarHBondContact O-N 3.03Å; A426-L428 PolarHBondContact O-N 3.25Å; A426-F429 PolarHBondContact O-N 3.15Å; A426-M430 WeakPolarHBondContact O-CB 3.45Å; A426-M430 WeakPolarHBondContact O-CG 3.22Å; A426-M430 PolarHBondContact O-N 3.15Å; A426-L440 HydrophobicContact CB-CD2 3.45Å; A426-L440 VanDerWaalsContact CB-CD2 3.45Å
427V94.4Very high88Confident0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-63.9-39.2-178174.90000111.6Q423 F429 M430 A431 F452 L453 L456 F464 L497Q423-V427 WeakPolarHBondContact O-CB 3.28Å; Q423-V427 VanDerWaalsContact O-CG2 3.28Å; Q423-V427 WeakPolarHBondContact O-CG2 3.35Å; Q423-V427 PolarHBondContact O-N 2.68Å; V427-F429 PolarHBondContact O-N 3.47Å; V427-M430 PolarHBondContact O-N 2.95Å; V427-A431 WeakPolarHBondContact O-CB 2.97Å; V427-A431 PolarHBondContact O-N 3.49Å; V427-F452 HydrophobicContact CB-CD1 4.42Å; V427-F452 HydrophobicContact CG1-CD1 4.21Å; V427-F452 HydrophobicContact CG1-CE1 4.43Å; V427-L453 HydrophobicContact CG1-CD2 3.49Å; V427-L453 VanDerWaalsContact CG1-CD2 3.49Å; V427-L453 HydrophobicContact CG1-CG 4.25Å; V427-L456 HydrophobicContact CG1-CD1 3.49Å; V427-L456 VanDerWaalsContact CG1-CD1 3.49Å; V427-F464 HydrophobicContact CG1-CD2 4.29Å; V427-F464 HydrophobicContact CG1-CE1 4.06Å; V427-F464 HydrophobicContact CG1-CE2 3.74Å; V427-F464 HydrophobicContact CG1-CZ 3.61Å; V427-F464 WeakPolarHBondContact O-CZ 3.38Å; V427-L497 HydrophobicContact CG2-CD1 3.61Å
428L95.2Very high87.7Confident0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-59.7-47.9175.1-176.956.5000111.6V145 L146 L149 Y228 C424 A426 A431 L432 F452 L456V145-L428 HydrophobicContact CG1-CD2 4.34Å; L146-L428 HydrophobicContact CD2-CD1 3.82Å; L149-L428 HydrophobicContact CD1-CD1 3.94Å; L149-L428 HydrophobicContact CD1-CD2 4.06Å; L149-L428 HydrophobicContact CD1-CG 4.45Å; Y228-L428 HydrophobicContact CD1-CD2 3.68Å; Y228-L428 HydrophobicContact CG-CD2 3.72Å; C424-L428 VanDerWaalsContact O-CB 3.28Å; C424-L428 WeakPolarHBondContact O-CB 3.4Å; C424-L428 PolarHBondContact O-N 3.43Å; A426-L428 PolarHBondContact O-N 3.25Å; L428-A431 PolarHBondContact O-N 3.29Å; L428-L432 HydrophobicContact CD1-CD1 3.69Å; L428-L432 HydrophobicContact CD1-CG 4.46Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 PolarHBondContact O-N 2.86Å; L428-F452 HydrophobicContact CB-CE1 3.81Å; L428-F452 HydrophobicContact CB-CZ 3.72Å; L428-F452 HydrophobicContact CD1-CE1 4.49Å; L428-F452 HydrophobicContact CD1-CZ 4Å; L428-F452 HydrophobicContact CD2-CZ 4.32Å; L428-F452 HydrophobicContact CG-CZ 4.21Å; L428-L456 HydrophobicContact CD1-CD2 4.03Å
429F94.3Very high87.6Confident0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-71-37.9-177.6-70.23.6000110.8C227 P231 F232 M264 F267 Y268 L301 L425 A426 V427 A431 L432 C433C227-F429 WeakPolarHBondContact O-CZ 3.44Å; P231-F429 HydrophobicContact CG-CE1 3.77Å; P231-F429 HydrophobicContact CG-CE2 4.14Å; P231-F429 HydrophobicContact CG-CZ 3.42Å; P231-F429 VanDerWaalsContact CG-CZ 3.42Å; F232-F429 HydrophobicContact CE2-CE1 4.32Å; M264-F429 HydrophobicContact CB-CE2 4.29Å; M264-F429 HydrophobicContact CE-CE2 4.42Å; M264-F429 HydrophobicContact CE-CZ 4.26Å; M264-F429 HydrophobicContact CG-CE2 3.88Å; M264-F429 HydrophobicContact CG-CZ 4.43Å; F267-F429 HydrophobicContact CB-CB 4.45Å; F267-F429 HydrophobicContact CB-CD2 3.87Å; F267-F429 HydrophobicContact CD1-CB 3.62Å; F267-F429 HydrophobicContact CD1-CD2 4.47Å; F267-F429 HydrophobicContact CD2-CB 4.01Å; F267-F429 AromaticContact CD2-CD2 3.68Å; F267-F429 HydrophobicContact CD2-CD2 3.68Å; F267-F429 HydrophobicContact CD2-CG 4.37Å; F267-F429 HydrophobicContact CE1-CB 3.62Å; F267-F429 HydrophobicContact CE2-CB 4.01Å; F267-F429 HydrophobicContact CE2-CD2 4.25Å; F267-F429 HydrophobicContact CG-CB 3.8Å; F267-F429 AromaticContact CG-CD2 3.79Å; F267-F429 HydrophobicContact CG-CD2 3.79Å; F267-F429 HydrophobicContact CG-CG 4.32Å; F267-F429 HydrophobicContact CZ-CB 3.8Å; Y268-F429 HydrophobicContact CE2-CE2 4.36Å; L301-F429 HydrophobicContact CD1-CB 4.11Å; L301-F429 HydrophobicContact CD1-CD1 4.12Å; L301-F429 HydrophobicContact CD1-CG 4.05Å; L301-F429 HydrophobicContact CD2-CD2 4.32Å; L425-F429 HydrophobicContact CD1-CD1 4.47Å; L425-F429 HydrophobicContact CD1-CD2 4.49Å; L425-F429 HydrophobicContact CD1-CE1 3.86Å; L425-F429 HydrophobicContact CD1-CE2 3.91Å; L425-F429 HydrophobicContact CD1-CZ 3.54Å; L425-F429 HydrophobicContact CG-CE2 4.46Å; L425-F429 WeakPolarHBondContact O-CG 3.19Å; L425-F429 PolarHBondContact O-N 3.14Å; L425-F429 VanDerWaalsContact O-N 3.17Å; A426-F429 PolarHBondContact O-N 3.15Å; V427-F429 PolarHBondContact O-N 3.47Å; F429-A431 VanDerWaalsContact C-N 3.27Å; F429-A431 PolarHBondContact O-N 3.5Å; F429-L432 CarbonylContact O-C 3.56Å; F429-L432 PolarHBondContact O-N 3.12Å; F429-L432 VanDerWaalsContact O-N 3.13Å; F429-C433 PolarHBondContact O-N 2.81Å; F429-C433 PolarHBondContact O-SG 3.28Å
430M92.5Very high87.6Confident5 Ų535.8 Ų35.83%0.02518%0.184CC..Hα-helixtrans-58.7-35170.3-69.1172.375.700113.1F267 A426 V427 L432 S438 L440 F464 C499F267-M430 HydrophobicContact CE1-CG 4Å; F267-M430 HydrophobicContact CZ-CG 3.98Å; A426-M430 WeakPolarHBondContact O-CB 3.45Å; A426-M430 WeakPolarHBondContact O-CG 3.22Å; A426-M430 PolarHBondContact O-N 3.15Å; V427-M430 PolarHBondContact O-N 2.95Å; M430-L432 VanDerWaalsContact C-N 3.34Å; M430-S438 WeakPolarHBondContact CE-O 3.18Å; M430-L440 HydrophobicContact CE-CB 3.67Å; M430-L440 HydrophobicContact SD-CB 3.55Å; M430-L440 VanDerWaalsContact SD-CB 3.55Å; M430-L440 HydrophobicContact SD-CD2 3.82Å; M430-L440 HydrophobicContact SD-CG 4.34Å; M430-F464 HydrophobicContact CB-CE1 3.92Å; M430-F464 HydrophobicContact CB-CZ 4.04Å; M430-F464 HydrophobicContact CE-CE1 4.08Å; M430-F464 HydrophobicContact SD-CE1 4.31Å; M430-C499 PolarHBondContact O-SG 3.26Å; M430-C499 VanDerWaalsContact O-SG 3.39Å
431A90.3Very high87.6Confident14 Ų1434.7 Ų34.712%0.11618%0.177CC..Hα-helixtrans-75.4-21.1177.500000113.8V427 L428 F429 L456 V462 F464V427-A431 WeakPolarHBondContact O-CB 2.97Å; V427-A431 PolarHBondContact O-N 3.49Å; L428-A431 PolarHBondContact O-N 3.29Å; F429-A431 VanDerWaalsContact C-N 3.27Å; F429-A431 PolarHBondContact O-N 3.5Å; A431-L456 HydrophobicContact CB-CD1 4.37Å; A431-L456 HydrophobicContact CB-CD2 4.12Å; A431-V462 HydrophobicContact CB-CG1 4Å; A431-F464 HydrophobicContact CB-CE2 4.07Å; A431-F464 HydrophobicContact CB-CZ 4.01Å
432L89.2Confident87.6Confident47 Ų4732 Ų3225%0.24616%0.16CC..Hα-helixtrans-115.98.2-175.5-65.1174.5000113.5L149 F232 L301 L428 F429 M430 L460L149-L432 HydrophobicContact CB-CD1 4.39Å; L149-L432 HydrophobicContact CD1-CD1 3.85Å; L149-L432 HydrophobicContact CD2-CD1 4.48Å; L149-L432 HydrophobicContact CG-CD1 4.47Å; F232-L432 HydrophobicContact CE1-CB 3.99Å; F232-L432 HydrophobicContact CE1-CD1 4.02Å; F232-L432 HydrophobicContact CE2-CD1 3.95Å; F232-L432 HydrophobicContact CZ-CB 3.74Å; F232-L432 HydrophobicContact CZ-CD1 3.43Å; F232-L432 VanDerWaalsContact CZ-CD1 3.43Å; F232-L432 HydrophobicContact CZ-CG 4.22Å; L301-L432 HydrophobicContact CD1-CB 4.42Å; L428-L432 HydrophobicContact CD1-CD1 3.69Å; L428-L432 HydrophobicContact CD1-CG 4.46Å; L428-L432 HydrophobicContact CG-CD1 4.19Å; L428-L432 PolarHBondContact O-N 2.86Å; F429-L432 CarbonylContact O-C 3.56Å; F429-L432 PolarHBondContact O-N 3.12Å; F429-L432 VanDerWaalsContact O-N 3.13Å; M430-L432 VanDerWaalsContact C-N 3.34Å; L432-L460 HydrophobicContact CD2-CD1 3.8Å; L432-L460 HydrophobicContact CD2-CD2 4.49Å; L432-L460 HydrophobicContact CG-CD1 4.3Å
433C83.9Confident87.4Confident23 Ų2332 Ų3216%0.15516%0.16CC..SBendtrans-65.5164.1167.7-81.10000111.9R302 P303 F429R302-C433 PolarHBondContact O-SG 3.36Å; P303-C433 HydrophobicContact CB-CB 4.33Å; F429-C433 PolarHBondContact O-N 2.81Å; F429-C433 PolarHBondContact O-SG 3.28Å
434Q69Low87.2Confident121 Ų12134.5 Ų34.557%0.56518%0.177SC*.  trans-76.9-167.8173-63-164.3-5.800112.1Y300 D436Y300-Q434 VanDerWaalsContact CB-NE2 3.31Å; Q434-D436 PolarHBondContact O-N 3.11Å
435K59.9Low86.9Confident206 Ų20637.1 Ų37.190%0.89619%0.19SC*.SBendtrans-46.9-21.7-160.4-64178.3177.71790118.4
436D65.4Low86.6Confident106 Ų10638.4 Ų38.457%0.56720%0.199SC*.SBendtrans-95.2141.3-173-41.1-62.2000113P303 Q434 S438P303-D436 HydrophobicContact CB-CB 4.24Å; P303-D436 HydrophobicContact CG-CB 3.84Å; Q434-D436 PolarHBondContact O-N 3.11Å; D436-S438 PolarHBondContact O-N 3.37Å
437V76.8Confident86.3Confident71 Ų7146.1 Ų46.143%0.4324%0.235SC..  trans-67.8113.9-178174.40000110.9K439 T498V437-K439 HydrophobicContact CG1-CG 4.36Å; V437-T498 HydrophobicContact CG1-CG2 3.4Å; V437-T498 VanDerWaalsContact CG1-CG2 3.4Å
438S86Confident86.1Confident1 Ų149.4 Ų49.41%0.00725%0.248CC..  trans-77.2140.5169.2-64.40000111.5P303 I304 M430 D436 C499P303-S438 VanDerWaalsContact CA-OG 3.26Å; P303-S438 WeakPolarHBondContact CA-OG 3.42Å; P303-S438 VanDerWaalsContact CB-OG 3.32Å; P303-S438 WeakPolarHBondContact CB-OG 3.24Å; I304-S438 PolarHBondContact N-OG 3.02Å; I304-S438 CarbonylContact O-C 3.58Å; I304-S438 WeakPolarHBondContact O-CA 3.42Å; I304-S438 WeakPolarHBondContact O-CB 3.45Å; M430-S438 WeakPolarHBondContact CE-O 3.18Å; D436-S438 PolarHBondContact O-N 3.37Å; S438-C499 PolarHBondContact O-N 2.93Å
439K90Very high86Confident65 Ų6549.4 Ų49.428%0.28325%0.248SC..EExtended strand (participates in β ladder)trans-128.9131.8177.8-63.6178.4-173.2167.40109.9I304 Q305 L306 E307 V437 L497 T498I304-K439 PolarHBondContact O-N 2.66Å; Q305-K439 WeakPolarHBondContact CA-O 3.41Å; L306-K439 PolarHBondContact N-O 2.87Å; E307-K439 WeakPolarHBondContact OE1-CD 3.3Å; V437-K439 HydrophobicContact CG1-CG 4.36Å; K439-L497 WeakPolarHBondContact CA-O 3.41Å; K439-T498 HydrophobicContact CG-CG2 4.22Å
440L92.8Very high85.8Confident0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-141.5122.4-178-175.868.5000110.2I304 L306 C417 A426 M430 I442 L497I304-L440 HydrophobicContact CD1-CD1 4.23Å; L306-L440 HydrophobicContact CB-CD1 3.91Å; L306-L440 HydrophobicContact CD1-CD1 4.21Å; L306-L440 CarbonylContact O-C 3.5Å; L306-L440 WeakPolarHBondContact O-CA 3.35Å; C417-L440 HydrophobicContact CB-CD1 3.65Å; A426-L440 HydrophobicContact CB-CD2 3.45Å; A426-L440 VanDerWaalsContact CB-CD2 3.45Å; M430-L440 HydrophobicContact CE-CB 3.67Å; M430-L440 HydrophobicContact SD-CB 3.55Å; M430-L440 VanDerWaalsContact SD-CB 3.55Å; M430-L440 HydrophobicContact SD-CD2 3.82Å; M430-L440 HydrophobicContact SD-CG 4.34Å; L440-I442 HydrophobicContact CD2-CG2 3.64Å; L440-I442 HydrophobicContact CG-CG2 3.77Å; L440-L497 PolarHBondContact N-O 2.85Å; L440-L497 PolarHBondContact O-N 3.04Å
441V92.8Very high85.8Confident8 Ų855 Ų555%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-88119.3167172.70000108.5L306 E307 G416 C417 L469 V495 K496L306-V441 PolarHBondContact O-N 3.2Å; E307-V441 HydrophobicContact CB-CG2 4.18Å; E307-V441 WeakPolarHBondContact O-CG2 3.35Å; G416-V441 CarbonylContact C-O 3.59Å; C417-V441 WeakPolarHBondContact CB-O 3.47Å; C417-V441 PolarHBondContact N-O 3.28Å; C417-V441 PolarHBondContact SG-O 3.1Å; C417-V441 VanDerWaalsContact SG-O 3.34Å; V441-L469 HydrophobicContact CB-CD1 4.42Å; V441-L469 HydrophobicContact CG1-CD1 3.63Å; V441-L469 HydrophobicContact CG2-CD1 3.85Å; V441-V495 CarbonylContact C-O 3.58Å; V441-V495 WeakPolarHBondContact CA-O 3.46Å; V441-K496 HydrophobicContact CG2-CB 3.93Å; V441-K496 HydrophobicContact CG2-CD 4.4Å; V441-K496 HydrophobicContact CG2-CG 3.99Å
442I92.7Very high86Confident0 Ų054.4 Ų54.40%027%0.27CS..EExtended strand (participates in β ladder)trans-109.6167.2174.458.8163.1000110.5Q423 L440 L445 V495 L497Q423-I442 HydrophobicContact CG-CD1 4.33Å; L440-I442 HydrophobicContact CD2-CG2 3.64Å; L440-I442 HydrophobicContact CG-CG2 3.77Å; I442-L445 HydrophobicContact CD1-CD1 3.92Å; I442-V495 HydrophobicContact CG1-CB 4.15Å; I442-V495 WeakPolarHBondContact CG1-O 3.37Å; I442-V495 PolarHBondContact N-O 2.87Å; I442-V495 PolarHBondContact O-N 2.81Å; I442-L497 HydrophobicContact CD1-CD1 3.67Å; I442-L497 HydrophobicContact CD1-CG 4.18Å; I442-L497 HydrophobicContact CG1-CD1 4.14Å; I442-L497 HydrophobicContact CG1-CG 4.24Å
443G90Very high86.2Confident1 Ų153.2 Ų53.21%0.0126%0.264CS..SBendtrans-67.4-162.9163.700000111.9G415 L445G415-G443 WeakPolarHBondContact O-CA 3.42Å; G415-G443 PolarHBondContact O-N 3.25Å; G415-G443 VanDerWaalsContact O-N 3.08Å; G443-L445 PolarHBondContact O-N 2.99Å
444P89.5Confident86.5Confident54 Ų5459 Ų5935%0.35128%0.283SS..SBendtrans-52.5135.6174.6-26.736.1000112.1Q423 S446 G493Q423-P444 PolarHBondContact NE2-O 2.69Å; P444-S446 PolarHBondContact O-N 3.16Å; P444-G493 VanDerWaalsContact CA-O 3.3Å; P444-G493 WeakPolarHBondContact CA-O 3.47Å
445L88.7Confident87.7Confident57 Ų5753.9 Ų53.930%0.29826%0.259SS..PPolyproline II helixtrans-65.8118.2179.9-174.769.6000109.5I442 G443 C449 A450 L453I442-L445 HydrophobicContact CD1-CD1 3.92Å; G443-L445 PolarHBondContact O-N 2.99Å; L445-C449 HydrophobicContact CD1-CB 3.75Å; L445-C449 HydrophobicContact CG-CB 4.48Å; L445-A450 HydrophobicContact CD2-CB 3.81Å; L445-A450 HydrophobicContact CG-CB 4.26Å; L445-L453 HydrophobicContact CD1-CD1 3.99Å; L445-L453 HydrophobicContact CD2-CD1 4.14Å
446S90Very high89.2Confident27 Ų2744.1 Ų44.119%0.18922%0.216CC..PPolyproline II helixtrans-66.6147.7173.861.20000110.9Q423 P444 Y448 C449 A450Q423-S446 PolarHBondContact OE1-OG 3.02Å; P444-S446 PolarHBondContact O-N 3.16Å; S446-Y448 PolarHBondContact O-N 3.28Å; S446-C449 WeakPolarHBondContact O-CA 3.48Å; S446-C449 PolarHBondContact O-N 3.06Å; S446-C449 WeakPolarHBondContact OG-CB 3.24Å; S446-C449 PolarHBondContact OG-N 3.44Å; S446-A450 PolarHBondContact O-N 3.22Å
447E88.3Confident90.2Very high162 Ų16241 Ų4176%0.75720%0.198SC*.Hα-helixtrans-55.5-41.2176.2-62.7-174.9169.700111.5C449 A450 Y451E447-C449 VanDerWaalsContact C-N 3.31Å; E447-C449 PolarHBondContact O-N 2.88Å; E447-A450 WeakPolarHBondContact O-CB 3.42Å; E447-A450 PolarHBondContact O-N 3.46Å; E447-A450 VanDerWaalsContact O-N 3.13Å; E447-Y451 VanDerWaalsContact O-CD2 3.26Å; E447-Y451 WeakPolarHBondContact O-CD2 3.31Å; E447-Y451 PolarHBondContact O-N 2.9Å
448Y91.2Very high90.7Very high70 Ų7040 Ų4028%0.27519%0.189SC..Hα-helixtrans-58.3-42176.2-163.8-111.6000111.7F139 R141 I142 E224 C424 S446 F452F139-Y448 AromaticContact CD1-CD2 3.81Å; F139-Y448 HydrophobicContact CD1-CD2 3.81Å; F139-Y448 AromaticContact CD1-CE2 3.82Å; F139-Y448 HydrophobicContact CD1-CE2 3.82Å; F139-Y448 AromaticContact CE1-CD2 3.67Å; F139-Y448 HydrophobicContact CE1-CD2 3.67Å; F139-Y448 HydrophobicContact CE1-CE2 4.16Å; R141-Y448 PolarHBondContact NH2-OH 3.03Å; I142-Y448 HydrophobicContact CD1-CD1 4.36Å; I142-Y448 HydrophobicContact CD1-CD2 4.32Å; I142-Y448 HydrophobicContact CD1-CE1 3.74Å; I142-Y448 HydrophobicContact CD1-CE2 3.67Å; I142-Y448 HydrophobicContact CG1-CE1 4.48Å; E224-Y448 PolarHBondContact OE1-OH 2.75Å; C424-Y448 VanDerWaalsContact SG-CD1 3.54Å; S446-Y448 PolarHBondContact O-N 3.28Å; Y448-F452 WeakPolarHBondContact O-CB 3.13Å; Y448-F452 PolarHBondContact O-N 2.94Å
449C92.7Very high90.8Very high0 Ų040.2 Ų40.20%019%0.19CC..Hα-helixtrans-71.3-34.2175-166.40000113.1Q423 C424 L445 S446 E447 F452 L453Q423-C449 HydrophobicContact CB-CB 4Å; C424-C449 VanDerWaalsContact SG-CA 3.57Å; L445-C449 HydrophobicContact CD1-CB 3.75Å; L445-C449 HydrophobicContact CG-CB 4.48Å; S446-C449 WeakPolarHBondContact O-CA 3.48Å; S446-C449 PolarHBondContact O-N 3.06Å; S446-C449 WeakPolarHBondContact OG-CB 3.24Å; S446-C449 PolarHBondContact OG-N 3.44Å; E447-C449 VanDerWaalsContact C-N 3.31Å; E447-C449 PolarHBondContact O-N 2.88Å; C449-F452 WeakPolarHBondContact O-CB 3.39Å; C449-F452 PolarHBondContact O-N 3.47Å; C449-L453 WeakPolarHBondContact O-CG 3.25Å; C449-L453 PolarHBondContact O-N 3.48Å
450A90.7Very high90.6Very high26 Ų2638.3 Ų38.322%0.21518%0.183CC..Hα-helixtrans-62.6-42.5174.400000112.3L445 S446 E447 R454L445-A450 HydrophobicContact CD2-CB 3.81Å; L445-A450 HydrophobicContact CG-CB 4.26Å; S446-A450 PolarHBondContact O-N 3.22Å; E447-A450 WeakPolarHBondContact O-CB 3.42Å; E447-A450 PolarHBondContact O-N 3.46Å; E447-A450 VanDerWaalsContact O-N 3.13Å; A450-R454 WeakPolarHBondContact O-CG 3.24Å; A450-R454 PolarHBondContact O-N 3.08Å
451Y91.8Very high90Very high97 Ų9739.7 Ų39.738%0.3820%0.198SC..Hα-helixtrans-69.9-34.4171.5-75.3-77.7000112.5F139 E447 L453 R454 H455F139-Y451 HydrophobicContact CD2-CG 4.41Å; F139-Y451 AromaticContact CE1-CD2 3.89Å; F139-Y451 HydrophobicContact CE1-CD2 3.89Å; F139-Y451 AromaticContact CE1-CG 3.91Å; F139-Y451 HydrophobicContact CE1-CG 3.91Å; F139-Y451 AromaticContact CE2-CD1 3.88Å; F139-Y451 HydrophobicContact CE2-CD1 3.88Å; F139-Y451 AromaticContact CE2-CD2 3.89Å; F139-Y451 HydrophobicContact CE2-CD2 3.89Å; F139-Y451 HydrophobicContact CE2-CE1 4.31Å; F139-Y451 HydrophobicContact CE2-CE2 4.33Å; F139-Y451 AromaticContact CE2-CG 3.65Å; F139-Y451 HydrophobicContact CE2-CG 3.65Å; F139-Y451 HydrophobicContact CZ-CD1 4.08Å; F139-Y451 AromaticContact CZ-CD2 3.25Å; F139-Y451 HydrophobicContact CZ-CD2 3.25Å; F139-Y451 AromaticContact CZ-CE2 3.87Å; F139-Y451 HydrophobicContact CZ-CE2 3.87Å; F139-Y451 AromaticContact CZ-CG 3.38Å; F139-Y451 HydrophobicContact CZ-CG 3.38Å; E447-Y451 VanDerWaalsContact O-CD2 3.26Å; E447-Y451 WeakPolarHBondContact O-CD2 3.31Å; E447-Y451 PolarHBondContact O-N 2.9Å; Y451-L453 PolarHBondContact O-N 3.32Å; Y451-R454 VanDerWaalsContact CE1-NH1 3.3Å; Y451-R454 PolarHBondContact O-N 3.5Å; Y451-H455 PolarHBondContact O-N 3.09Å
452F94.6Very high89.5Confident0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-59.4-44.8173.9-166-103.3000112.4I142 C424 V427 L428 Y448 C449 R454 H455 L456I142-F452 HydrophobicContact CB-CD2 4.19Å; I142-F452 HydrophobicContact CB-CE2 4.33Å; I142-F452 HydrophobicContact CD1-CD2 3.7Å; I142-F452 HydrophobicContact CD1-CE2 4.44Å; I142-F452 HydrophobicContact CG1-CD2 3.66Å; I142-F452 HydrophobicContact CG1-CE2 3.91Å; I142-F452 HydrophobicContact CG2-CD2 3.46Å; I142-F452 VanDerWaalsContact CG2-CD2 3.46Å; I142-F452 HydrophobicContact CG2-CE2 3.64Å; C424-F452 HydrophobicContact CB-CB 4.49Å; C424-F452 HydrophobicContact CB-CD1 4.03Å; C424-F452 HydrophobicContact CB-CD2 4.08Å; C424-F452 HydrophobicContact CB-CE1 4.24Å; C424-F452 HydrophobicContact CB-CE2 4.32Å; C424-F452 HydrophobicContact CB-CG 3.95Å; C424-F452 HydrophobicContact CB-CZ 4.4Å; C424-F452 VanDerWaalsContact O-CE1 3.22Å; C424-F452 WeakPolarHBondContact O-CE1 3.2Å; V427-F452 HydrophobicContact CB-CD1 4.42Å; V427-F452 HydrophobicContact CG1-CD1 4.21Å; V427-F452 HydrophobicContact CG1-CE1 4.43Å; L428-F452 HydrophobicContact CB-CE1 3.81Å; L428-F452 HydrophobicContact CB-CZ 3.72Å; L428-F452 HydrophobicContact CD1-CE1 4.49Å; L428-F452 HydrophobicContact CD1-CZ 4Å; L428-F452 HydrophobicContact CD2-CZ 4.32Å; L428-F452 HydrophobicContact CG-CZ 4.21Å; Y448-F452 WeakPolarHBondContact O-CB 3.13Å; Y448-F452 PolarHBondContact O-N 2.94Å; C449-F452 WeakPolarHBondContact O-CB 3.39Å; C449-F452 PolarHBondContact O-N 3.47Å; F452-R454 PolarHBondContact O-N 3.23Å; F452-H455 PolarHBondContact O-N 2.92Å; F452-L456 HydrophobicContact CD1-CD1 3.62Å; F452-L456 HydrophobicContact CD1-CG 4.11Å; F452-L456 HydrophobicContact CE1-CD1 3.53Å; F452-L456 HydrophobicContact CE1-CD2 4.28Å; F452-L456 HydrophobicContact CE1-CG 3.93Å; F452-L456 WeakPolarHBondContact O-CG 3.48Å; F452-L456 PolarHBondContact O-N 3.34Å
453L92.9Very high89.1Confident22 Ų2241.8 Ų41.812%0.11521%0.21CC..Hα-helixtrans-60.9-40.7175.8-76.1166.4000112.5V427 L445 C449 Y451 L456 K457 F464 I466V427-L453 HydrophobicContact CG1-CD2 3.49Å; V427-L453 VanDerWaalsContact CG1-CD2 3.49Å; V427-L453 HydrophobicContact CG1-CG 4.25Å; L445-L453 HydrophobicContact CD1-CD1 3.99Å; L445-L453 HydrophobicContact CD2-CD1 4.14Å; C449-L453 WeakPolarHBondContact O-CG 3.25Å; C449-L453 PolarHBondContact O-N 3.48Å; Y451-L453 PolarHBondContact O-N 3.32Å; L453-L456 PolarHBondContact O-N 3.48Å; L453-K457 PolarHBondContact O-N 3.29Å; L453-K457 VanDerWaalsContact O-N 3.17Å; L453-F464 HydrophobicContact CD2-CB 3.93Å; L453-F464 HydrophobicContact CD2-CD1 4.48Å; L453-F464 HydrophobicContact CD2-CD2 3.4Å; L453-F464 HydrophobicContact CD2-CE2 4.03Å; L453-F464 HydrophobicContact CD2-CG 3.68Å; L453-I466 HydrophobicContact CD1-CD1 4.19Å
454R91.4Very high89Confident146 Ų14642.5 Ų42.555%0.55121%0.213SC*.Hα-helixtrans-62.3-48.4174.7-68.1171.9-178.8162.7-1.6111.1A450 Y451 F452 L456 K457 D458A450-R454 WeakPolarHBondContact O-CG 3.24Å; A450-R454 PolarHBondContact O-N 3.08Å; Y451-R454 VanDerWaalsContact CE1-NH1 3.3Å; Y451-R454 PolarHBondContact O-N 3.5Å; F452-R454 PolarHBondContact O-N 3.23Å; R454-L456 PolarHBondContact O-N 3.24Å; R454-K457 WeakPolarHBondContact O-CB 3.46Å; R454-K457 PolarHBondContact O-N 2.92Å; R454-K457 VanDerWaalsContact O-N 3.12Å; R454-D458 PolarHBondContact O-N 3.16Å
455H93Very high88.7Confident13 Ų1344.7 Ų44.76%0.0622%0.217CC..Hα-helixtrans-66-34.3177-73.1-31.1000113F134 I142 R143 L146 Y451 F452 K457 D458 F459F134-H455 AromaticContact CD1-CE1 3.97Å; F134-H455 AromaticContact CE1-CE1 3.59Å; F134-H455 AromaticContact CE1-ND1 3.77Å; I142-H455 HydrophobicContact CG2-CB 4.31Å; R143-H455 PolarHBondContact NE-NE2 2.95Å; L146-H455 HydrophobicContact CD1-CB 3.66Å; Y451-H455 PolarHBondContact O-N 3.09Å; F452-H455 PolarHBondContact O-N 2.92Å; H455-K457 VanDerWaalsContact C-N 3.26Å; H455-K457 PolarHBondContact O-N 3.31Å; H455-D458 IonicContact ND1-OD2 2.71Å; H455-D458 PolarHBondContact ND1-OD2 2.96Å; H455-D458 PolarHBondContact O-N 2.82Å; H455-D458 VanDerWaalsContact O-N 3.16Å; H455-F459 HydrophobicContact CB-CD2 4.2Å; H455-F459 HydrophobicContact CB-CE2 4.37Å; H455-F459 WeakPolarHBondContact O-CB 3.49Å; H455-F459 VanDerWaalsContact O-CD2 3.26Å; H455-F459 WeakPolarHBondContact O-CD2 3.37Å; H455-F459 PolarHBondContact O-N 3.02Å
456L91.2Very high88.7Confident0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-58.8-38.6171-78.9170.7000112.3L146 V427 L428 A431 F452 L453 R454 L460 G461 F464L146-L456 HydrophobicContact CD1-CD2 4.48Å; L146-L456 HydrophobicContact CD2-CD2 3.63Å; L146-L456 HydrophobicContact CD2-CG 4.47Å; V427-L456 HydrophobicContact CG1-CD1 3.49Å; V427-L456 VanDerWaalsContact CG1-CD1 3.49Å; L428-L456 HydrophobicContact CD1-CD2 4.03Å; A431-L456 HydrophobicContact CB-CD1 4.37Å; A431-L456 HydrophobicContact CB-CD2 4.12Å; F452-L456 HydrophobicContact CD1-CD1 3.62Å; F452-L456 HydrophobicContact CD1-CG 4.11Å; F452-L456 HydrophobicContact CE1-CD1 3.53Å; F452-L456 HydrophobicContact CE1-CD2 4.28Å; F452-L456 HydrophobicContact CE1-CG 3.93Å; F452-L456 WeakPolarHBondContact O-CG 3.48Å; F452-L456 PolarHBondContact O-N 3.34Å; L453-L456 PolarHBondContact O-N 3.48Å; R454-L456 PolarHBondContact O-N 3.24Å; L456-L460 HydrophobicContact CD2-CD1 3.72Å; L456-L460 WeakPolarHBondContact O-CB 3.04Å; L456-L460 PolarHBondContact O-N 3.07Å; L456-G461 PolarHBondContact O-N 3.38Å; L456-F464 HydrophobicContact CD1-CE2 4.12Å
457K86.8Confident88.4Confident42 Ų4247.5 Ų47.518%0.18323%0.229CC..Hα-helixtrans-64-49.5171.3-177.5176.7169.7168.30111.2L453 R454 H455 F459 G461 V462 V463 Y562 E580L453-K457 PolarHBondContact O-N 3.29Å; L453-K457 VanDerWaalsContact O-N 3.17Å; R454-K457 WeakPolarHBondContact O-CB 3.46Å; R454-K457 PolarHBondContact O-N 2.92Å; R454-K457 VanDerWaalsContact O-N 3.12Å; H455-K457 VanDerWaalsContact C-N 3.26Å; H455-K457 PolarHBondContact O-N 3.31Å; K457-F459 PolarHBondContact O-N 3.4Å; K457-G461 WeakPolarHBondContact O-CA 3.42Å; K457-G461 PolarHBondContact O-N 3.31Å; K457-V462 WeakPolarHBondContact CA-O 3.28Å; K457-V462 PolarHBondContact N-O 3.05Å; K457-V463 HydrophobicContact CD-CG2 4.06Å; K457-V463 HydrophobicContact CG-CG2 4.22Å; K457-Y562 PolarHBondContact NZ-OH 3.34Å; K457-E580 WeakPolarHBondContact CE-OE2 3.33Å; K457-E580 IonicContact NZ-OE1 3.25Å; K457-E580 PolarHBondContact NZ-OE1 3.26Å; K457-E580 IonicContact NZ-OE2 3.19Å; K457-E580 PolarHBondContact NZ-OE2 2.97Å
458D87.1Confident88.1Confident48 Ų4846.9 Ų46.926%0.25723%0.227SC..Hα-helixtrans-61.8-41.6-177.6-58.8-36.7000113.1R152 R454 H455R152-D458 PolarHBondContact NH1-O 3.02Å; R454-D458 PolarHBondContact O-N 3.16Å; H455-D458 IonicContact ND1-OD2 2.71Å; H455-D458 PolarHBondContact ND1-OD2 2.96Å; H455-D458 PolarHBondContact O-N 2.82Å; H455-D458 VanDerWaalsContact O-N 3.16Å
459F89.3Confident87.3Confident6 Ų647 Ų473%0.02623%0.231CC..Hα-helixtrans-86.1-45.5-174.9-79.8-94.7000113.6L132 F134 R143 L146 I154 H455 K457L132-F459 HydrophobicContact CD1-CD1 3.67Å; L132-F459 HydrophobicContact CD1-CD2 4.08Å; L132-F459 HydrophobicContact CD1-CE1 3.83Å; L132-F459 HydrophobicContact CD1-CE2 4.24Å; L132-F459 HydrophobicContact CD1-CG 3.83Å; L132-F459 HydrophobicContact CD1-CZ 4.13Å; F134-F459 HydrophobicContact CE1-CE2 4.45Å; F134-F459 HydrophobicContact CE2-CE1 4.44Å; F134-F459 AromaticContact CE2-CE2 3.64Å; F134-F459 HydrophobicContact CE2-CE2 3.64Å; F134-F459 AromaticContact CE2-CZ 3.48Å; F134-F459 HydrophobicContact CE2-CZ 3.48Å; F134-F459 VanDerWaalsContact CE2-CZ 3.48Å; F134-F459 HydrophobicContact CZ-CD2 4.21Å; F134-F459 AromaticContact CZ-CE2 3.38Å; F134-F459 HydrophobicContact CZ-CE2 3.38Å; F134-F459 AromaticContact CZ-CZ 3.76Å; F134-F459 HydrophobicContact CZ-CZ 3.76Å; R143-F459 HydrophobicContact CB-CE2 4.44Å; R143-F459 HydrophobicContact CB-CZ 4.07Å; R143-F459 HydrophobicContact CG-CE2 4.41Å; R143-F459 HydrophobicContact CG-CZ 4.47Å; R143-F459 WeakPolarHBondContact O-CE1 3.14Å; R143-F459 WeakPolarHBondContact O-CZ 3.37Å; L146-F459 HydrophobicContact CB-CB 3.92Å; L146-F459 HydrophobicContact CB-CD1 3.74Å; L146-F459 HydrophobicContact CB-CD2 3.81Å; L146-F459 HydrophobicContact CB-CE1 4.11Å; L146-F459 HydrophobicContact CB-CE2 4.17Å; L146-F459 HydrophobicContact CB-CG 3.56Å; L146-F459 HydrophobicContact CB-CZ 4.3Å; L146-F459 HydrophobicContact CD1-CB 4.47Å; L146-F459 HydrophobicContact CD1-CD2 3.92Å; L146-F459 HydrophobicContact CD1-CE2 4.43Å; L146-F459 HydrophobicContact CD1-CG 4.32Å; I154-F459 HydrophobicContact CG2-CE1 3.5Å; I154-F459 HydrophobicContact CG2-CZ 3.74Å; H455-F459 HydrophobicContact CB-CD2 4.2Å; H455-F459 HydrophobicContact CB-CE2 4.37Å; H455-F459 WeakPolarHBondContact O-CB 3.49Å; H455-F459 VanDerWaalsContact O-CD2 3.26Å; H455-F459 WeakPolarHBondContact O-CD2 3.37Å; H455-F459 PolarHBondContact O-N 3.02Å; K457-F459 PolarHBondContact O-N 3.4Å
460L84.8Confident85.8Confident26 Ų2654.9 Ų54.914%0.13627%0.266CS..Hα-helixtrans-106.1-17.9-173.1-59.4175.7000113.5L432 L456 V462 K502L432-L460 HydrophobicContact CD2-CD1 3.8Å; L432-L460 HydrophobicContact CD2-CD2 4.49Å; L432-L460 HydrophobicContact CG-CD1 4.3Å; L456-L460 HydrophobicContact CD2-CD1 3.72Å; L456-L460 WeakPolarHBondContact O-CB 3.04Å; L456-L460 PolarHBondContact O-N 3.07Å; L460-V462 VanDerWaalsContact C-N 3.26Å; L460-V462 HydrophobicContact CB-CB 4.38Å; L460-V462 HydrophobicContact CB-CG2 3.83Å; L460-K502 WeakPolarHBondContact O-CE 3.35Å; L460-K502 PolarHBondContact O-NZ 3.28Å
461G80Confident84Confident29 Ų2956.8 Ų56.830%0.29928%0.276SS..  trans76.810-170.200000113.8L456 K457 K502 M503L456-G461 PolarHBondContact O-N 3.38Å; K457-G461 WeakPolarHBondContact O-CA 3.42Å; K457-G461 PolarHBondContact O-N 3.31Å; G461-K502 WeakPolarHBondContact O-CA 3.3Å; G461-M503 PolarHBondContact O-N 3.26Å
462V84.2Confident81.5Confident12 Ų1256.6 Ų56.67%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-85135-174.3176.50000110.7A431 K457 L460 F464 G501A431-V462 HydrophobicContact CB-CG1 4Å; K457-V462 WeakPolarHBondContact CA-O 3.28Å; K457-V462 PolarHBondContact N-O 3.05Å; L460-V462 VanDerWaalsContact C-N 3.26Å; L460-V462 HydrophobicContact CB-CB 4.38Å; L460-V462 HydrophobicContact CB-CG2 3.83Å; V462-F464 HydrophobicContact CG1-CD2 4.38Å; V462-F464 HydrophobicContact CG1-CE2 3.9Å; V462-G501 CarbonylContact C-O 3.58Å; V462-G501 VanDerWaalsContact CA-O 3.3Å; V462-G501 WeakPolarHBondContact CA-O 3.29Å
463V83.8Confident78.7Confident39 Ų3964.7 Ų64.724%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-121142.9178.5-179.10000110.2K457 V500 G501 M503K457-V463 HydrophobicContact CD-CG2 4.06Å; K457-V463 HydrophobicContact CG-CG2 4.22Å; V463-V500 WeakPolarHBondContact O-CB 3.38Å; V463-V500 PolarHBondContact O-N 3.04Å; V463-G501 PolarHBondContact N-O 2.91Å; V463-M503 HydrophobicContact CG2-CB 3.9Å; V463-M503 HydrophobicContact CG2-CG 4.47Å; V463-M503 HydrophobicContact CG2-SD 4.09Å
464F87Confident75.8Confident16 Ų1672.7 Ų72.77%0.0737%0.365CS..EExtended strand (participates in β ladder)trans-107.7135.3173.8-74.7-104.2000109.5V427 M430 A431 L453 L456 V462 L497 T498 C499V427-F464 HydrophobicContact CG1-CD2 4.29Å; V427-F464 HydrophobicContact CG1-CE1 4.06Å; V427-F464 HydrophobicContact CG1-CE2 3.74Å; V427-F464 HydrophobicContact CG1-CZ 3.61Å; V427-F464 WeakPolarHBondContact O-CZ 3.38Å; M430-F464 HydrophobicContact CB-CE1 3.92Å; M430-F464 HydrophobicContact CB-CZ 4.04Å; M430-F464 HydrophobicContact CE-CE1 4.08Å; M430-F464 HydrophobicContact SD-CE1 4.31Å; A431-F464 HydrophobicContact CB-CE2 4.07Å; A431-F464 HydrophobicContact CB-CZ 4.01Å; L453-F464 HydrophobicContact CD2-CB 3.93Å; L453-F464 HydrophobicContact CD2-CD1 4.48Å; L453-F464 HydrophobicContact CD2-CD2 3.4Å; L453-F464 HydrophobicContact CD2-CE2 4.03Å; L453-F464 HydrophobicContact CD2-CG 3.68Å; L456-F464 HydrophobicContact CD1-CE2 4.12Å; V462-F464 HydrophobicContact CG1-CD2 4.38Å; V462-F464 HydrophobicContact CG1-CE2 3.9Å; F464-L497 HydrophobicContact CD1-CB 4.26Å; F464-T498 CarbonylContact C-O 3.54Å; F464-T498 WeakPolarHBondContact CA-O 3.2Å; F464-C499 HydrophobicContact CD1-CB 4.18Å; F464-C499 HydrophobicContact CE1-CB 3.71Å; F464-C499 HydrophobicContact CZ-CB 4.05Å
465K83.9Confident72.7Confident100 Ų10070.4 Ų70.444%0.43537%0.371SS..EExtended strand (participates in β ladder)trans-80.4131.6163.8174168.4173.7167.20107.9D467 L497 T498 V500K465-D467 VanDerWaalsContact CE-CG 3.44Å; K465-D467 WeakPolarHBondContact CE-OD1 3.26Å; K465-D467 VanDerWaalsContact CE-OD2 3.29Å; K465-D467 WeakPolarHBondContact CE-OD2 3.41Å; K465-D467 IonicContact NZ-OD1 3.58Å; K465-L497 WeakPolarHBondContact O-CA 3.16Å; K465-T498 PolarHBondContact N-O 2.76Å; K465-T498 PolarHBondContact O-N 3.27Å; K465-V500 HydrophobicContact CB-CG2 3.64Å
466I88.2Confident69.7Low84 Ų8475.9 Ų75.943%0.43141%0.411SS..EExtended strand (participates in β ladder)trans-119.298.7-172-54.7-172.9000106.9L453 V495 L497L453-I466 HydrophobicContact CD1-CD1 4.19Å; I466-V495 HydrophobicContact CG2-CG1 3.42Å; I466-V495 VanDerWaalsContact CG2-CG1 3.42Å; I466-L497 HydrophobicContact CB-CD2 4.35Å; I466-L497 HydrophobicContact CD1-CD2 4.38Å; I466-L497 HydrophobicContact CG1-CD2 3.82Å; I466-L497 HydrophobicContact CG2-CD2 4.23Å
467D83.7Confident66.7Low60 Ų6082.8 Ų82.832%0.32145%0.448SS..EExtended strand (participates in β ladder)trans-99.4117.2177.8-62-54.7000109.7K465 L469 K496K465-D467 VanDerWaalsContact CE-CG 3.44Å; K465-D467 WeakPolarHBondContact CE-OD1 3.26Å; K465-D467 VanDerWaalsContact CE-OD2 3.29Å; K465-D467 WeakPolarHBondContact CE-OD2 3.41Å; K465-D467 IonicContact NZ-OD1 3.58Å; D467-L469 PolarHBondContact O-N 3.24Å; D467-K496 HydrophobicContact CB-CB 4.23Å; D467-K496 PolarHBondContact N-O 2.86Å; D467-K496 PolarHBondContact O-N 2.6Å
468E81.1Confident63.7Low149 Ų14984.2 Ų84.270%0.69648%0.475SS*.EExtended strand (participates in β ladder)trans-72122172.6-70.7-177.9178.800110.9K470E468-K470 PolarHBondContact O-N 3.32Å; E468-K470 VanDerWaalsContact O-N 3.1Å
469L74.4Confident60.7Low72 Ų7284.9 Ų84.938%0.37749%0.493SS..  trans-8390.1177.3-62.7-179.6000109.7V441 D467 K494 K496V441-L469 HydrophobicContact CB-CD1 4.42Å; V441-L469 HydrophobicContact CG1-CD1 3.63Å; V441-L469 HydrophobicContact CG2-CD1 3.85Å; D467-L469 PolarHBondContact O-N 3.24Å; L469-K494 HydrophobicContact CB-CB 4.3Å; L469-K494 HydrophobicContact CD1-CB 4.4Å; L469-K494 PolarHBondContact N-O 3.36Å; L469-K496 HydrophobicContact CD1-CB 4.46Å; L469-K496 HydrophobicContact CD2-CB 4.24Å; L469-K496 HydrophobicContact CG-CB 4.31Å
470K62.9Low57.6Low166 Ų16688.5 Ų88.572%0.72253%0.532SS*.  trans-60.1144.2172.1-65.9-171.9-179.8-177.30110.7E468 S472E468-K470 PolarHBondContact O-N 3.32Å; E468-K470 VanDerWaalsContact O-N 3.1Å; K470-S472 PolarHBondContact O-N 3.42Å; K470-S472 VanDerWaalsContact O-N 3.16Å
471P53.1Low54.8Low66 Ų6689.5 Ų89.543%0.42955%0.548SS..  trans-62.1119.2170.7-11.224.2000109.2L473 C490P471-L473 VanDerWaalsContact C-N 3.33Å; P471-L473 PolarHBondContact O-N 3.4Å; P471-C490 HydrophobicContact CB-CB 4.03Å; P471-C490 WeakPolarHBondContact CB-O 3.41Å; P471-C490 WeakPolarHBondContact CG-O 3.25Å
472S39.3Very low52.7Low92 Ų9294.3 Ų94.364%0.64357%0.574SS**  trans-7489.6172.138.60000109.5K470 K474K470-S472 PolarHBondContact O-N 3.42Å; K470-S472 VanDerWaalsContact O-N 3.16Å; S472-K474 VanDerWaalsContact C-N 3.33Å; S472-K474 PolarHBondContact O-N 3.07Å
473L35.8Very low50Low171 Ų171101.3 Ų101.390%0.89561%0.611SS**  trans-57.398.1162.2-69.2170.7000107.8P471 S475P471-L473 VanDerWaalsContact C-N 3.33Å; P471-L473 PolarHBondContact O-N 3.4Å; L473-S475 PolarHBondContact O-N 3.14Å
474K30.8Very low47.3Very low189 Ų189107 Ų10782%0.82263%0.633SS**  trans-64.4117.1169.2-73.7-173.9177.8179.40107.2S472 S476S472-K474 VanDerWaalsContact C-N 3.33Å; S472-K474 PolarHBondContact O-N 3.07Å; K474-S476 PolarHBondContact O-N 3.48Å
475S26.8Very low44.4Very low98 Ų98114.8 Ų114.869%0.68567%0.669SS**  trans-57.5121.4171.544.10000109.1L473 D477L473-S475 PolarHBondContact O-N 3.14Å; S475-D477 PolarHBondContact O-N 3.13Å
476S29.7Very low41.7Very low128 Ų128116 Ų11690%0.89569%0.69SS**  trans-79.564.8178.9-68.20000111.2K474K474-S476 PolarHBondContact O-N 3.48Å
477D27.9Very low38.8Very low146 Ų146114.8 Ų114.878%0.78170%0.699SS**  trans-87.2122.6162.7-77.9-43.9000109.7S475S475-D477 PolarHBondContact O-N 3.13Å
478G24.2Very low36.5Very low72 Ų72116.5 Ų116.574%0.74272%0.716SS**SBendtrans78.5114.3158.700000118.2
479G24.7Very low34.3Very low62 Ų62116.6 Ų116.664%0.63972%0.721SS**  trans92.8105139.400000118.2K484G479-K484 PolarHBondContact O-NZ 2.98Å
480G22.7Very low32.5Very low82 Ų82115.6 Ų115.685%0.84572%0.72SS**  42.6120.5127.600000120.3
481G25.9Very low31.8Very low46 Ų46109.7 Ų109.747%0.47470%0.696SS.*  trans148.499.5162.500000113.2N483 K484G481-N483 PolarHBondContact O-N 2.89Å; G481-K484 PolarHBondContact O-N 3.29Å
482P36.7Very low31.7Very low131 Ų131111.3 Ų111.385%0.85171%0.706SS**THydrogen-bonded Turntrans-79.163.8176.434.8-35.1000110.8
483N27.7Very low33.2Very low159 Ų159108.9 Ų108.985%0.8570%0.695SS**THydrogen-bonded Turntrans-17231.3163.6-98.2-15.7000111.2G481 E485G481-N483 PolarHBondContact O-N 2.89Å; N483-E485 PolarHBondContact O-N 2.71Å
484K26.2Very low35.5Very low157 Ų157102.7 Ų102.768%0.68366%0.661SS**  trans-71.799.3167.2-81176.3176.8168.80108G479 G481G479-K484 PolarHBondContact O-NZ 2.98Å; G481-K484 PolarHBondContact O-N 3.29Å
485E25.8Very low38.2Very low180 Ų18094.2 Ų94.284%0.84163%0.625SS**  trans-33.5143.2177.1-59.3170.7135.300113.2N483 G487N483-E485 PolarHBondContact O-N 2.71Å; E485-G487 PolarHBondContact O-N 2.78Å
486S27.8Very low41.2Very low125 Ų12591.2 Ų91.287%0.87460%0.6SS**  trans-34.2105176.3-62.80000111.5S488S486-S488 PolarHBondContact O-N 2.81Å
487G28.4Very low44.1Very low60 Ų6085.1 Ų85.162%0.61956%0.557SS**  trans-50128.5178.100000108.4E485 N489E485-G487 PolarHBondContact O-N 2.78Å; G487-N489 PolarHBondContact O-N 2.9Å
488S33.9Very low46.9Very low96 Ų9679.2 Ų79.267%0.67153%0.527SS*.  trans-64.692177.4590000107.9S486 C490S486-S488 PolarHBondContact O-N 2.81Å; S488-C490 PolarHBondContact O-N 3.02Å
489N36.7Very low49.7Very low150 Ų15076.4 Ų76.480%0.80250%0.495SS*.  trans-63.480.3166.7-77.8-14.6000106.3G487 L491G487-N489 PolarHBondContact O-N 2.9Å; N489-L491 PolarHBondContact O-N 2.99Å
490C35.2Very low52Low52 Ų5277.8 Ų77.835%0.35149%0.491SS..  trans-62113.5-178.6-80.40000107.7P471 S488P471-C490 HydrophobicContact CB-CB 4.03Å; P471-C490 WeakPolarHBondContact CB-O 3.41Å; P471-C490 WeakPolarHBondContact CG-O 3.25Å; S488-C490 PolarHBondContact O-N 3.02Å
491L47.8Very low54.2Low42 Ų4275.1 Ų75.122%0.2246%0.463CS..  trans-64.4139.2-167.4-58124.7000110.3Y413 N489 G493Y413-L491 HydrophobicContact CD1-CD2 4.14Å; Y413-L491 HydrophobicContact CD2-CD2 3.45Å; Y413-L491 VanDerWaalsContact CD2-CD2 3.45Å; Y413-L491 HydrophobicContact CE1-CD2 3.95Å; Y413-L491 HydrophobicContact CE2-CD2 3.24Å; Y413-L491 HydrophobicContact CG-CD2 3.9Å; Y413-L491 VanDerWaalsContact CZ-CD2 3.5Å; Y413-L491 WeakPolarHBondContact O-CD1 3.16Å; Y413-L491 WeakPolarHBondContact O-CD2 3.32Å; N489-L491 PolarHBondContact O-N 2.99Å; L491-G493 PolarHBondContact O-N 2.85Å
492P50.9Low56.2Low100 Ų10079.2 Ų79.265%0.64947%0.468SS*.THydrogen-bonded Turntrans-62.7136.8-17826.1-33.9000111.1
493G72.3Confident57.4Low40 Ų4074.4 Ų74.441%0.41244%0.435SS..THydrogen-bonded Turntrans92.512.8170.500000117P444 L491P444-G493 VanDerWaalsContact CA-O 3.3Å; P444-G493 WeakPolarHBondContact CA-O 3.47Å; L491-G493 PolarHBondContact O-N 2.85Å
494K83.7Confident59Low41 Ų4172.1 Ų72.118%0.17842%0.423CS..  trans-69.5139.2167.7-70.4-172.6179.2-1770111.1R414 L469R414-K494 VanDerWaalsContact O-CE 3.27Å; R414-K494 WeakPolarHBondContact O-CE 3.4Å; L469-K494 HydrophobicContact CB-CB 4.3Å; L469-K494 HydrophobicContact CD1-CB 4.4Å; L469-K494 PolarHBondContact N-O 3.36Å
495V88.1Confident60.7Low11 Ų1171.6 Ų71.67%0.06742%0.42CS..EExtended strand (participates in β ladder)trans-127.9128.5-172.4172.60000110.1V441 I442 I466 L497V441-V495 CarbonylContact C-O 3.58Å; V441-V495 WeakPolarHBondContact CA-O 3.46Å; I442-V495 HydrophobicContact CG1-CB 4.15Å; I442-V495 WeakPolarHBondContact CG1-O 3.37Å; I442-V495 PolarHBondContact N-O 2.87Å; I442-V495 PolarHBondContact O-N 2.81Å; I466-V495 HydrophobicContact CG2-CG1 3.42Å; I466-V495 VanDerWaalsContact CG2-CG1 3.42Å; V495-L497 HydrophobicContact CG1-CD2 3.78Å; V495-L497 HydrophobicContact CG1-CG 4.25Å
496K88.9Confident62.7Low36 Ų3664 Ų6416%0.15739%0.388CS..EExtended strand (participates in β ladder)trans-92.2113.8170.2-178.3173.9-1781660109.6E307 V441 D467 L469E307-K496 VanDerWaalsContact OE1-CE 3.24Å; E307-K496 WeakPolarHBondContact OE1-CE 3.2Å; E307-K496 IonicContact OE1-NZ 2.87Å; E307-K496 PolarHBondContact OE1-NZ 2.85Å; E307-K496 IonicContact OE2-NZ 3.8Å; E307-K496 PolarHBondContact OE2-NZ 2.87Å; V441-K496 HydrophobicContact CG2-CB 3.93Å; V441-K496 HydrophobicContact CG2-CD 4.4Å; V441-K496 HydrophobicContact CG2-CG 3.99Å; D467-K496 HydrophobicContact CB-CB 4.23Å; D467-K496 PolarHBondContact N-O 2.86Å; D467-K496 PolarHBondContact O-N 2.6Å; L469-K496 HydrophobicContact CD1-CB 4.46Å; L469-K496 HydrophobicContact CD2-CB 4.24Å; L469-K496 HydrophobicContact CG-CB 4.31Å
497L90.2Very high65.1Low0 Ų065.1 Ų65.10%038%0.38CS..EExtended strand (participates in β ladder)trans-93127.1172.9-62-177.6000110V427 K439 L440 I442 F464 K465 I466 V495V427-L497 HydrophobicContact CG2-CD1 3.61Å; K439-L497 WeakPolarHBondContact CA-O 3.41Å; L440-L497 PolarHBondContact N-O 2.85Å; L440-L497 PolarHBondContact O-N 3.04Å; I442-L497 HydrophobicContact CD1-CD1 3.67Å; I442-L497 HydrophobicContact CD1-CG 4.18Å; I442-L497 HydrophobicContact CG1-CD1 4.14Å; I442-L497 HydrophobicContact CG1-CG 4.24Å; F464-L497 HydrophobicContact CD1-CB 4.26Å; K465-L497 WeakPolarHBondContact O-CA 3.16Å; I466-L497 HydrophobicContact CB-CD2 4.35Å; I466-L497 HydrophobicContact CD1-CD2 4.38Å; I466-L497 HydrophobicContact CG1-CD2 3.82Å; I466-L497 HydrophobicContact CG2-CD2 4.23Å; V495-L497 HydrophobicContact CG1-CD2 3.78Å; V495-L497 HydrophobicContact CG1-CG 4.25Å
498T87Confident67.8Low22 Ų2263.7 Ų63.714%0.13536%0.359CS..EExtended strand (participates in β ladder)trans-121.3122.9171.5-57.50000108.7V437 K439 F464 K465 V500V437-T498 HydrophobicContact CG1-CG2 3.4Å; V437-T498 VanDerWaalsContact CG1-CG2 3.4Å; K439-T498 HydrophobicContact CG-CG2 4.22Å; F464-T498 CarbonylContact C-O 3.54Å; F464-T498 WeakPolarHBondContact CA-O 3.2Å; K465-T498 PolarHBondContact N-O 2.76Å; K465-T498 PolarHBondContact O-N 3.27Å; T498-V500 PolarHBondContact O-N 3.4Å
499C82.4Confident70.3Confident12 Ų1261.5 Ų61.58%0.08134%0.338CS..EExtended strand (participates in β ladder)trans-72.1110.4174.7-172.50000109M430 S438 F464 G501M430-C499 PolarHBondContact O-SG 3.26Å; M430-C499 VanDerWaalsContact O-SG 3.39Å; S438-C499 PolarHBondContact O-N 2.93Å; F464-C499 HydrophobicContact CD1-CB 4.18Å; F464-C499 HydrophobicContact CE1-CB 3.71Å; F464-C499 HydrophobicContact CZ-CB 4.05Å; C499-G501 VanDerWaalsContact C-N 3.29Å
500V72.8Confident72.8Confident92 Ų9256 Ų5656%0.55831%0.311SS*.EExtended strand (participates in β ladder)trans-80.4-18.3-179.7-175.10000110.8V463 K465 T498V463-V500 WeakPolarHBondContact O-CB 3.38Å; V463-V500 PolarHBondContact O-N 3.04Å; K465-V500 HydrophobicContact CB-CG2 3.64Å; T498-V500 PolarHBondContact O-N 3.4Å
501G70.3Confident75.3Confident25 Ų2556.2 Ų56.226%0.25831%0.308SS..EExtended strand (participates in β ladder)trans90.2-148.1-171.300000110.6V462 V463 C499V462-G501 CarbonylContact C-O 3.58Å; V462-G501 VanDerWaalsContact CA-O 3.3Å; V462-G501 WeakPolarHBondContact CA-O 3.29Å; V463-G501 PolarHBondContact N-O 2.91Å; C499-G501 VanDerWaalsContact C-N 3.29Å
502K66.5Low77.1Confident132 Ų13257.8 Ų57.857%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-77.1139.7177.7-70.5-168.6173.8-150.50111.2L460 G461 D504L460-K502 WeakPolarHBondContact O-CE 3.35Å; L460-K502 PolarHBondContact O-NZ 3.28Å; G461-K502 WeakPolarHBondContact O-CA 3.3Å; K502-D504 PolarHBondContact O-N 3.32Å
503M62.8Low78.5Confident30 Ų3055.9 Ų55.915%0.14831%0.314CS..PPolyproline II helixtrans-69.7123.5168.7-157.3165.5-167.500109G461 V463 K505 Y562 A577 E580G461-M503 PolarHBondContact O-N 3.26Å; V463-M503 HydrophobicContact CG2-CB 3.9Å; V463-M503 HydrophobicContact CG2-CG 4.47Å; V463-M503 HydrophobicContact CG2-SD 4.09Å; M503-K505 PolarHBondContact O-N 3.13Å; M503-Y562 HydrophobicContact CE-CD1 3.85Å; M503-Y562 HydrophobicContact CE-CE1 4.08Å; M503-Y562 HydrophobicContact SD-CE1 4.24Å; M503-A577 HydrophobicContact CE-CB 3.79Å; M503-A577 WeakPolarHBondContact CE-O 3.19Å; M503-E580 HydrophobicContact CE-CB 4.29Å; M503-E580 HydrophobicContact CG-CB 4.32Å; M503-E580 HydrophobicContact SD-CB 3.89Å
504D60.5Low79Confident112 Ų11263.1 Ų63.160%0.59933%0.334SS*.PPolyproline II helixtrans-64.7127177.3-80.5-27.1000110K502 A506 E580K502-D504 PolarHBondContact O-N 3.32Å; D504-A506 PolarHBondContact O-N 2.59Å; D504-E580 PolarHBondContact O-N 3.14Å
505K63.1Low78.9Confident145 Ų14567 Ų6763%0.6336%0.355SS*.BIsolated β-bridgetrans-71115.6167-73.3-161.4170-166.40108.3M503 E580 E582M503-K505 PolarHBondContact O-N 3.13Å; K505-E580 WeakPolarHBondContact CA-O 3.3Å; K505-E582 IonicContact NZ-OE1 3.54Å; K505-E582 PolarHBondContact NZ-OE1 2.76Å; K505-E582 IonicContact NZ-OE2 2.69Å; K505-E582 PolarHBondContact NZ-OE2 2.88Å
506A67.4Low78.7Confident21 Ų2172 Ų7217%0.17439%0.391CS..  trans-82.2138.6176.800000111.1D504 V508 K579 E580D504-A506 PolarHBondContact O-N 2.59Å; A506-V508 HydrophobicContact CB-CG2 3.59Å; A506-V508 PolarHBondContact O-N 3.15Å; A506-K579 HydrophobicContact CB-CB 3.8Å; A506-K579 HydrophobicContact CB-CD 3.84Å; A506-K579 HydrophobicContact CB-CG 4.46Å; A506-E580 PolarHBondContact N-O 3.19Å; A506-E580 VanDerWaalsContact N-O 3.1Å
507Q77.4Confident78.4Confident149 Ų14979.3 Ų79.370%0.69642%0.419SS*.  trans-72.1113.3148.6-67.6-167.135.100106.8
508V85.7Confident77.9Confident30 Ų3085.8 Ų85.818%0.18245%0.453CS..  trans-108.1130.9178.2-176.50000108.2A506 L561 V563 A581 F584 T585A506-V508 HydrophobicContact CB-CG2 3.59Å; A506-V508 PolarHBondContact O-N 3.15Å; V508-L561 HydrophobicContact CB-CD2 4.26Å; V508-L561 HydrophobicContact CG1-CD2 3.95Å; V508-L561 HydrophobicContact CG2-CD2 4.43Å; V508-V563 HydrophobicContact CG2-CG2 3.96Å; V508-A581 HydrophobicContact CB-CB 4.48Å; V508-A581 HydrophobicContact CG2-CB 3.77Å; V508-F584 HydrophobicContact CB-CB 3.98Å; V508-F584 HydrophobicContact CG1-CB 4.27Å; V508-F584 CarbonylContact O-C 3.49Å; V508-F584 WeakPolarHBondContact O-CA 3.26Å; V508-F584 WeakPolarHBondContact O-CB 2.99Å; V508-T585 PolarHBondContact O-N 2.83Å
509H87.2Confident77.6Confident50 Ų5087 Ų8723%0.23147%0.47CS..EExtended strand (participates in β ladder)trans-120.9127179.6-57.2-75.2000109.7I511 T585 W587H509-I511 HydrophobicContact CB-CG1 4.24Å; H509-T585 CarbonylContact C-O 3.53Å; H509-T585 WeakPolarHBondContact CA-O 3.13Å; H509-T585 WeakPolarHBondContact ND1-CB 3.39Å; H509-T585 PolarHBondContact ND1-OG1 3.24Å; H509-W587 AromaticContact CG-NE1 3.82Å; H509-W587 AromaticContact ND1-NE1 3.44Å; H509-W587 PolarHBondContact ND1-NE1 3.4Å
510S88.2Confident77.6Confident34 Ų3493 Ų9324%0.23851%0.509CS..EExtended strand (participates in β ladder)trans-91.9102.3169.2-172.40000108.1T585 W587S510-T585 PolarHBondContact N-O 3.32Å; S510-W587 PolarHBondContact O-N 2.92Å
511I87.6Confident78Confident56 Ų5692.4 Ų92.429%0.28751%0.513SS..  trans-99.5136.7-179.8-60.2179.1000108.6H509 A513 F527 L548H509-I511 HydrophobicContact CB-CG1 4.24Å; I511-A513 HydrophobicContact CG2-CB 3.98Å; I511-A513 PolarHBondContact O-N 2.73Å; I511-F527 HydrophobicContact CD1-CZ 4.29Å; I511-L548 HydrophobicContact CG2-CD1 4.49Å
512P85.5Confident78.7Confident76 Ų7697.2 Ų97.249%0.49453%0.529SS..SBendtrans-8058.4-177.233.6-34.5000111L548 W587 L589P512-L548 HydrophobicContact CG-CD2 4.14Å; P512-W587 WeakPolarHBondContact CD-O 3.48Å; P512-L589 HydrophobicContact CG-CB 4.17Å
513A81.7Confident79.4Confident59 Ų5994.4 Ų94.449%0.48852%0.523SS..  trans-130148.7-17700000110.9I511I511-A513 HydrophobicContact CG2-CB 3.98Å; I511-A513 PolarHBondContact O-N 2.73Å
514K82.9Confident80.3Confident193 Ų193100.6 Ų100.684%0.83955%0.552SS**  trans-91.2118170.1-174.7175.9179.6-179.50108.7
515I80.5Confident81.4Confident122 Ų12299.2 Ų99.263%0.62655%0.547SS*.  trans-74128.4172.4-54.5176.8000108Y517 D518I515-Y517 WeakPolarHBondContact CG2-O 3.4Å; I515-D518 WeakPolarHBondContact CG2-OD1 3.26Å
516S84.5Confident82.4Confident117 Ų117100 Ų10082%0.81855%0.547SS*.  trans-113.4-10.1178.1-56.90000113
517Y83.1Confident83.4Confident189 Ų18999.2 Ų99.274%0.74154%0.54SS*.  trans-161.3135.1-178.2173.9-101.6000109.1I515I515-Y517 WeakPolarHBondContact CG2-O 3.4Å
518D78.4Confident83.7Confident136 Ų13694.9 Ų94.973%0.72752%0.522SS*.  trans-101.9127.7176.6-65.8-43.8000110.2I515I515-D518 WeakPolarHBondContact CG2-OD1 3.26Å
519G81.2Confident83.7Confident47 Ų4797.3 Ų97.349%0.48554%0.54SS..  trans-178.2179-178.300000113.2
520P81.9Confident83.8Confident138 Ų13896.9 Ų96.990%0.89654%0.541SS*.  trans-65135.3-179.327.1-34.4000111.7
521A81Confident83.8Confident79 Ų7997.2 Ų97.265%0.65354%0.537SS*.  trans-135.1138.5-17900000111.4V523A521-V523 HydrophobicContact CB-CG2 4.15Å; A521-V523 PolarHBondContact O-N 3.24Å
522Q84.6Confident83.8Confident127 Ų12798.2 Ų98.259%0.59355%0.546SS*.  trans-82.264.1178.3-70.1-178.6-3000111.4E524 T525 Y526Q522-E524 VanDerWaalsContact C-N 3.35Å; Q522-E524 PolarHBondContact O-N 3.11Å; Q522-T525 PolarHBondContact O-N 3.11Å; Q522-Y526 HydrophobicContact CB-CD2 3.84Å; Q522-Y526 HydrophobicContact CB-CE2 3.94Å; Q522-Y526 WeakPolarHBondContact O-CD2 3.31Å; Q522-Y526 PolarHBondContact O-N 3.11Å
523V82.9Confident83.8Confident72 Ų72100.6 Ų100.644%0.43655%0.55SS..Hα-helixtrans-60.6-43.1-175-1740000111.6A521 T525 Y526 F527 D528A521-V523 HydrophobicContact CB-CG2 4.15Å; A521-V523 PolarHBondContact O-N 3.24Å; V523-T525 VanDerWaalsContact C-N 3.31Å; V523-T525 PolarHBondContact O-N 2.78Å; V523-Y526 PolarHBondContact O-N 3.35Å; V523-F527 HydrophobicContact CG1-CB 3.9Å; V523-F527 HydrophobicContact CG1-CD1 3.94Å; V523-F527 HydrophobicContact CG1-CG 4.35Å; V523-F527 WeakPolarHBondContact O-CA 3.12Å; V523-F527 WeakPolarHBondContact O-CB 3.44Å; V523-F527 PolarHBondContact O-N 2.72Å; V523-D528 PolarHBondContact O-N 3.25Å; V523-D528 VanDerWaalsContact O-N 3.12Å
524E81Confident83.9Confident161 Ų161101.6 Ų101.675%0.75254%0.544SS*.Hα-helixtrans-57.2-43.1179.9-171.9173-161.600112.3Q522 S529Q522-E524 VanDerWaalsContact C-N 3.35Å; Q522-E524 PolarHBondContact O-N 3.11Å; E524-S529 PolarHBondContact O-N 3.05Å; E524-S529 VanDerWaalsContact O-N 3.11Å
525T83.9Confident83.5Confident82 Ų82102 Ų10250%0.50355%0.549SS..Hα-helixtrans-75.9-35.8-177.4-44.70000113.7Q522 V523 S529Q522-T525 PolarHBondContact O-N 3.11Å; V523-T525 VanDerWaalsContact C-N 3.31Å; V523-T525 PolarHBondContact O-N 2.78Å; T525-S529 WeakPolarHBondContact O-CB 3.11Å; T525-S529 PolarHBondContact O-OG 2.91Å
526Y84Confident83.1Confident161 Ų161103.4 Ų103.463%0.63156%0.558SS**Hα-helixtrans-110.7-13.9-170.1-67.9-67.8000115.6Q522 V523Q522-Y526 HydrophobicContact CB-CD2 3.84Å; Q522-Y526 HydrophobicContact CB-CE2 3.94Å; Q522-Y526 WeakPolarHBondContact O-CD2 3.31Å; Q522-Y526 PolarHBondContact O-N 3.11Å; V523-Y526 PolarHBondContact O-N 3.35Å
527F87.9Confident82.7Confident6 Ų6100.3 Ų100.33%0.02654%0.544CS..THydrogen-bonded Turntrans-122.6-60-178.3-176.7-113.2000110.8I511 V523 S529 T530 R531 A541 F543 L548 W587I511-F527 HydrophobicContact CD1-CZ 4.29Å; V523-F527 HydrophobicContact CG1-CB 3.9Å; V523-F527 HydrophobicContact CG1-CD1 3.94Å; V523-F527 HydrophobicContact CG1-CG 4.35Å; V523-F527 WeakPolarHBondContact O-CA 3.12Å; V523-F527 WeakPolarHBondContact O-CB 3.44Å; V523-F527 PolarHBondContact O-N 2.72Å; F527-S529 VanDerWaalsContact C-N 3.33Å; F527-S529 PolarHBondContact O-N 2.89Å; F527-T530 PolarHBondContact O-N 2.92Å; F527-T530 PolarHBondContact O-OG1 2.99Å; F527-R531 PolarHBondContact O-N 3.38Å; F527-A541 HydrophobicContact CD2-CB 4.28Å; F527-A541 HydrophobicContact CE2-CB 3.69Å; F527-A541 HydrophobicContact CZ-CB 4.19Å; F527-F543 HydrophobicContact CD2-CD2 4.14Å; F527-L548 HydrophobicContact CE2-CD1 4.04Å; F527-W587 HydrophobicContact CE1-CZ2 4.21Å; F527-W587 HydrophobicContact CZ-CD2 4.16Å; F527-W587 AromaticContact CZ-CE2 3.57Å; F527-W587 HydrophobicContact CZ-CH2 4.34Å; F527-W587 AromaticContact CZ-CZ2 3.68Å; F527-W587 HydrophobicContact CZ-CZ2 3.68Å; F527-W587 AromaticContact CZ-NE1 3.69Å
528D84.6Confident82.7Confident57 Ų5793.4 Ų93.431%0.30552%0.522SS..G310 helixtrans-65.4-35.8-175.7-63.3-60.1000112.7V523 T530 R531V523-D528 PolarHBondContact O-N 3.25Å; V523-D528 VanDerWaalsContact O-N 3.12Å; D528-T530 PolarHBondContact O-N 3.15Å; D528-R531 WeakPolarHBondContact O-CB 3.46Å; D528-R531 PolarHBondContact O-N 3.4Å; D528-R531 VanDerWaalsContact O-N 3.08Å; D528-R531 WeakPolarHBondContact OD1-CD 3.39Å; D528-R531 IonicContact OD1-CZ 3.81Å; D528-R531 IonicContact OD1-NE 2.85Å; D528-R531 IonicContact OD1-NH1 2.81Å; D528-R531 PolarHBondContact OD1-NH1 2.89Å
529S85.5Confident83.2Confident81 Ų8187.5 Ų87.557%0.56649%0.49SS*.G310 helixtrans-55.9-20.3170.565.10000114.8E524 T525 F527E524-S529 PolarHBondContact O-N 3.05Å; E524-S529 VanDerWaalsContact O-N 3.11Å; T525-S529 WeakPolarHBondContact O-CB 3.11Å; T525-S529 PolarHBondContact O-OG 2.91Å; F527-S529 VanDerWaalsContact C-N 3.33Å; F527-S529 PolarHBondContact O-N 2.89Å
530T88.6Confident83.6Confident41 Ų4187.3 Ų87.325%0.25248%0.479SS..G310 helixtrans-105.2-2.2-178.777.20000113.2F527 D528 T542F527-T530 PolarHBondContact O-N 2.92Å; F527-T530 PolarHBondContact O-OG1 2.99Å; D528-T530 PolarHBondContact O-N 3.15Å; T530-T542 WeakPolarHBondContact CB-OG1 3.2Å; T530-T542 WeakPolarHBondContact CG2-OG1 3.34Å; T530-T542 PolarHBondContact OG1-N 2.69Å; T530-T542 PolarHBondContact OG1-O 2.72Å; T530-T542 PolarHBondContact OG1-OG1 3.45Å
531R89.3Confident84Confident41 Ų4180.9 Ų80.916%0.15544%0.438CS..  trans-75.3126.8179.3-72.2171.271.9-170.3-3110.4F527 D528 E539 T540 A541 W587F527-R531 PolarHBondContact O-N 3.38Å; D528-R531 WeakPolarHBondContact O-CB 3.46Å; D528-R531 PolarHBondContact O-N 3.4Å; D528-R531 VanDerWaalsContact O-N 3.08Å; D528-R531 WeakPolarHBondContact OD1-CD 3.39Å; D528-R531 IonicContact OD1-CZ 3.81Å; D528-R531 IonicContact OD1-NE 2.85Å; D528-R531 IonicContact OD1-NH1 2.81Å; D528-R531 PolarHBondContact OD1-NH1 2.89Å; R531-E539 IonicContact CZ-OE2 3.56Å; R531-E539 VanDerWaalsContact CZ-OE2 3.31Å; R531-E539 IonicContact NE-OE2 3.52Å; R531-E539 PolarHBondContact NE-OE2 3.49Å; R531-E539 IonicContact NH2-OE1 3.31Å; R531-E539 PolarHBondContact NH2-OE1 3.36Å; R531-E539 IonicContact NH2-OE2 2.78Å; R531-E539 PolarHBondContact NH2-OE2 3.07Å; R531-T540 CarbonylContact C-O 3.59Å; R531-T540 WeakPolarHBondContact CA-O 3.48Å; R531-A541 HydrophobicContact CG-CB 3.89Å; R531-W587 HydrophobicContact CG-CH2 4.19Å; R531-W587 HydrophobicContact CG-CZ2 4.48Å
532V87.6Confident84.4Confident78 Ų7880 Ų8047%0.47343%0.425SS..EExtended strand (participates in β ladder)trans-120125.2172.6-178.10000107.4E539 T540V532-E539 CarbonylContact O-C 3.57Å; V532-E539 WeakPolarHBondContact O-CA 3.38Å; V532-T540 PolarHBondContact N-O 3.08Å; V532-T540 PolarHBondContact O-N 3.1Å
533H85.2Confident84.4Confident126 Ų12677.5 Ų77.558%0.58341%0.412SS*.EExtended strand (participates in β ladder)trans-90.3130.7173.6-61.3-86.9000109.2E539H533-E539 IonicContact CE1-OE1 2.76Å; H533-E539 PolarHBondContact CE1-OE1 3.17Å; H533-E539 VanDerWaalsContact CE1-OE1 3.22Å; H533-E539 IonicContact CE1-OE2 3.59Å; H533-E539 WeakPolarHBondContact ND1-CG 3.46Å; H533-E539 IonicContact ND1-OE1 2.99Å; H533-E539 PolarHBondContact ND1-OE1 2.92Å; H533-E539 IonicContact ND1-OE2 2.99Å
534H83Confident84.4Confident79 Ų7984.9 Ų84.937%0.36643%0.432SS..  trans-97.5159176.9-63.7-75.5000111.2D536 G537 T538 T540H534-D536 PolarHBondContact O-N 2.97Å; H534-G537 PolarHBondContact O-N 3.21Å; H534-T538 PolarHBondContact N-O 3.11Å; H534-T540 VanDerWaalsContact NE2-CG2 3.28Å; H534-T540 WeakPolarHBondContact NE2-CG2 3.34Å; H534-T540 PolarHBondContact NE2-OG1 2.8Å
535E75.4Confident84.5Confident203 Ų20380.6 Ų80.695%0.94943%0.431SS*.THydrogen-bonded Turntrans-63.6-28-178.8-60.7-166.9156.800112.6G537E535-G537 PolarHBondContact O-N 2.78Å; E535-G537 VanDerWaalsContact O-N 3.12Å
536D72.2Confident84.7Confident150 Ų15084.2 Ų84.280%0.80244%0.436SS*.THydrogen-bonded Turntrans-70.70.5177.2-58.4-29.4000114.1H534 T538H534-D536 PolarHBondContact O-N 2.97Å; D536-T538 PolarHBondContact O-N 3Å
537G74.7Confident84.9Confident52 Ų5279.5 Ų79.554%0.53642%0.424SS..SBendtrans79.71.7-177.500000114.6H534 E535H534-G537 PolarHBondContact O-N 3.21Å; E535-G537 PolarHBondContact O-N 2.78Å; E535-G537 VanDerWaalsContact O-N 3.12Å
538T83.5Confident85.1Confident44 Ų4479.4 Ų79.427%0.2742%0.424SS..EExtended strand (participates in β ladder)trans-82.4160.4168.159.30000111.5H534 D536 G550H534-T538 PolarHBondContact N-O 3.11Å; D536-T538 PolarHBondContact O-N 3Å; T538-G550 WeakPolarHBondContact CA-O 3.36Å
539E89.1Confident85.4Confident13 Ų1378.9 Ų78.96%0.06142%0.421CS..EExtended strand (participates in β ladder)trans-119.9150.3173.7-58-173.1-162.100109.2R531 V532 H533 N549 G550 W587R531-E539 IonicContact CZ-OE2 3.56Å; R531-E539 VanDerWaalsContact CZ-OE2 3.31Å; R531-E539 IonicContact NE-OE2 3.52Å; R531-E539 PolarHBondContact NE-OE2 3.49Å; R531-E539 IonicContact NH2-OE1 3.31Å; R531-E539 PolarHBondContact NH2-OE1 3.36Å; R531-E539 IonicContact NH2-OE2 2.78Å; R531-E539 PolarHBondContact NH2-OE2 3.07Å; V532-E539 CarbonylContact O-C 3.57Å; V532-E539 WeakPolarHBondContact O-CA 3.38Å; H533-E539 IonicContact CE1-OE1 2.76Å; H533-E539 PolarHBondContact CE1-OE1 3.17Å; H533-E539 VanDerWaalsContact CE1-OE1 3.22Å; H533-E539 IonicContact CE1-OE2 3.59Å; H533-E539 WeakPolarHBondContact ND1-CG 3.46Å; H533-E539 IonicContact ND1-OE1 2.99Å; H533-E539 PolarHBondContact ND1-OE1 2.92Å; H533-E539 IonicContact ND1-OE2 2.99Å; E539-N549 CarbonylContact O-C 3.57Å; E539-G550 PolarHBondContact N-O 2.68Å; E539-G550 PolarHBondContact O-N 2.98Å; E539-W587 HydrophobicContact CB-CH2 3.57Å; E539-W587 HydrophobicContact CB-CZ2 4.47Å; E539-W587 HydrophobicContact CB-CZ3 3.93Å; E539-W587 WeakPolarHBondContact OE2-CH2 3.32Å
540T89.6Confident85.6Confident42 Ų4275 Ų7526%0.25839%0.394SS..EExtended strand (participates in β ladder)trans-122.5137.9163.453.90000109.5R531 V532 H534 L548R531-T540 CarbonylContact C-O 3.59Å; R531-T540 WeakPolarHBondContact CA-O 3.48Å; V532-T540 PolarHBondContact N-O 3.08Å; V532-T540 PolarHBondContact O-N 3.1Å; H534-T540 VanDerWaalsContact NE2-CG2 3.28Å; H534-T540 WeakPolarHBondContact NE2-CG2 3.34Å; H534-T540 PolarHBondContact NE2-OG1 2.8Å; T540-L548 CarbonylContact C-O 3.58Å; T540-L548 VanDerWaalsContact CA-O 3.3Å; T540-L548 WeakPolarHBondContact CA-O 3Å
541A91.3Very high85.5Confident4 Ų475.1 Ų75.13%0.03339%0.393CS..EExtended strand (participates in β ladder)trans-134.1170.5174.600000109.6F527 R531 L548 W587F527-A541 HydrophobicContact CD2-CB 4.28Å; F527-A541 HydrophobicContact CE2-CB 3.69Å; F527-A541 HydrophobicContact CZ-CB 4.19Å; R531-A541 HydrophobicContact CG-CB 3.89Å; A541-L548 PolarHBondContact N-O 2.9Å; A541-L548 PolarHBondContact O-N 2.99Å; A541-W587 HydrophobicContact CB-CE3 4.23Å; A541-W587 HydrophobicContact CB-CH2 3.68Å; A541-W587 HydrophobicContact CB-CZ2 4.47Å; A541-W587 HydrophobicContact CB-CZ3 3.54Å
542T88.1Confident85.4Confident60 Ų6075.6 Ų75.637%0.36840%0.4SS..EExtended strand (participates in β ladder)trans-117.7138.6165.669.50000110.4T530 R546T530-T542 WeakPolarHBondContact CB-OG1 3.2Å; T530-T542 WeakPolarHBondContact CG2-OG1 3.34Å; T530-T542 PolarHBondContact OG1-N 2.69Å; T530-T542 PolarHBondContact OG1-O 2.72Å; T530-T542 PolarHBondContact OG1-OG1 3.45Å; T542-R546 CarbonylContact C-O 3.58Å; T542-R546 VanDerWaalsContact CA-O 3.28Å; T542-R546 WeakPolarHBondContact CA-O 3.47Å
543F85.6Confident85.2Confident75 Ų7573.1 Ų73.133%0.32939%0.386SS..EExtended strand (participates in β ladder)trans-126112.3174-171.3-99.5000109.3F527 G545 R546 L548F527-F543 HydrophobicContact CD2-CD2 4.14Å; F543-G545 PolarHBondContact O-N 3.33Å; F543-R546 PolarHBondContact N-O 2.82Å; F543-R546 PolarHBondContact O-N 3.32Å; F543-R546 VanDerWaalsContact O-N 3.09Å; F543-L548 HydrophobicContact CB-CD1 3.5Å; F543-L548 VanDerWaalsContact CB-CD1 3.5Å; F543-L548 HydrophobicContact CB-CG 4.15Å; F543-L548 HydrophobicContact CG-CD1 4.39Å
544R82.7Confident85Confident226 Ų22676.3 Ų76.385%0.85339%0.393SS*.THydrogen-bonded Turntrans51.443-172.8-57.5-177.1174.5-165.7-2.8112.6R546R544-R546 VanDerWaalsContact C-N 3.29Å; R544-R546 PolarHBondContact O-N 2.71Å
545G82.7Confident85Confident71 Ų7174 Ų7473%0.73238%0.383SS*.THydrogen-bonded Turntrans76.43.4179.900000115.8F543F543-G545 PolarHBondContact O-N 3.33Å
546R87.9Confident84.9Confident159 Ų15965.3 Ų65.360%0.634%0.344SS*.EExtended strand (participates in β ladder)trans-96137.8173.7-59.7-173.1176.9-151.1-4.2111T542 F543 R544 L589T542-R546 CarbonylContact C-O 3.58Å; T542-R546 VanDerWaalsContact CA-O 3.28Å; T542-R546 WeakPolarHBondContact CA-O 3.47Å; F543-R546 PolarHBondContact N-O 2.82Å; F543-R546 PolarHBondContact O-N 3.32Å; F543-R546 VanDerWaalsContact O-N 3.09Å; R544-R546 VanDerWaalsContact C-N 3.29Å; R544-R546 PolarHBondContact O-N 2.71Å; R546-L589 HydrophobicContact CB-CD1 3.79Å
547P89.6Confident84.7Confident61 Ų6167.4 Ų67.440%0.39635%0.349SS..EExtended strand (participates in β ladder)trans-68.9135.4175.729.5-34.3000110.9D590P547-D590 HydrophobicContact CG-CB 4.34Å; P547-D590 PolarHBondContact O-N 3.21Å
548L91.1Very high84.5Confident5 Ų568.6 Ų68.63%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-122131.8171.5-68.2-179.5000109.3I511 P512 F527 T540 A541 F543 W587 S588 L589I511-L548 HydrophobicContact CG2-CD1 4.49Å; P512-L548 HydrophobicContact CG-CD2 4.14Å; F527-L548 HydrophobicContact CE2-CD1 4.04Å; T540-L548 CarbonylContact C-O 3.58Å; T540-L548 VanDerWaalsContact CA-O 3.3Å; T540-L548 WeakPolarHBondContact CA-O 3Å; A541-L548 PolarHBondContact N-O 2.9Å; A541-L548 PolarHBondContact O-N 2.99Å; F543-L548 HydrophobicContact CB-CD1 3.5Å; F543-L548 VanDerWaalsContact CB-CD1 3.5Å; F543-L548 HydrophobicContact CB-CG 4.15Å; F543-L548 HydrophobicContact CG-CD1 4.39Å; L548-W587 HydrophobicContact CB-CE3 3.78Å; L548-W587 HydrophobicContact CB-CZ3 4.47Å; L548-W587 HydrophobicContact CD1-CB 4.38Å; L548-S588 WeakPolarHBondContact CA-O 3.27Å; L548-L589 HydrophobicContact CD2-CB 4.27Å; L548-L589 HydrophobicContact CD2-CD1 4.09Å
549N90.5Very high84.3Confident45 Ų4571.1 Ų71.124%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-104.5124.8172.8-54.7-33.8000108.2E539 W587 S588 S591E539-N549 CarbonylContact O-C 3.57Å; N549-W587 CarbonylContact O-C 3.58Å; N549-W587 WeakPolarHBondContact O-CA 3.43Å; N549-S588 PolarHBondContact N-O 2.9Å; N549-S588 PolarHBondContact O-N 3.39Å; N549-S591 WeakPolarHBondContact CB-O 3.4Å; N549-S591 PolarHBondContact ND2-O 2.78Å
550G89.9Confident83.7Confident0 Ų076.9 Ų76.90%039%0.388CS..EExtended strand (participates in β ladder)trans-113.2148.2-174.100000112.3T538 E539 V586T538-G550 WeakPolarHBondContact CA-O 3.36Å; E539-G550 PolarHBondContact N-O 2.68Å; E539-G550 PolarHBondContact O-N 2.98Å; G550-V586 CarbonylContact C-O 3.6Å; G550-V586 VanDerWaalsContact CA-O 3.27Å; G550-V586 WeakPolarHBondContact CA-O 3.39Å
551M87.1Confident83.3Confident44 Ų4477.4 Ų77.422%0.21739%0.389CS..EExtended strand (participates in β ladder)trans-138.3133.3164.6-169.7177.479.300109.7S553 T585 V586 P593 N594 L599M551-S553 PolarHBondContact O-N 2.9Å; M551-T585 WeakPolarHBondContact O-CA 3.37Å; M551-V586 PolarHBondContact N-O 3.33Å; M551-V586 PolarHBondContact O-N 3.47Å; M551-P593 HydrophobicContact CB-CB 3.64Å; M551-P593 HydrophobicContact CB-CG 3.78Å; M551-N594 WeakPolarHBondContact CE-OD1 3.29Å; M551-L599 HydrophobicContact CE-CD1 3.97Å
552T86.3Confident82.9Confident51 Ų5181.2 Ų81.231%0.31340%0.403SS..EExtended strand (participates in β ladder)trans-81.8113.6173.7-67.70000109.5Q583 T585T552-Q583 HydrophobicContact CG2-CB 4.24Å; T552-Q583 HydrophobicContact CG2-CG 4.09Å; T552-T585 PolarHBondContact OG1-OG1 3.12Å; T552-T585 VanDerWaalsContact OG1-OG1 3.07Å
553S83.6Confident82.5Confident25 Ų2581.1 Ų81.118%0.17540%0.403CS..EExtended strand (participates in β ladder)trans-109139.6-179.3-175.30000110.5M551 Q583 F584 L599M551-S553 PolarHBondContact O-N 2.9Å; S553-Q583 CarbonylContact O-C 3.59Å; S553-Q583 WeakPolarHBondContact O-CA 3.34Å; S553-Q583 WeakPolarHBondContact O-CB 3.41Å; S553-F584 PolarHBondContact N-O 3.28Å; S553-F584 PolarHBondContact O-N 2.88Å; S553-L599 WeakPolarHBondContact OG-CD2 3.39Å
554R82.1Confident82.2Confident194 Ų19480.7 Ų80.773%0.73241%0.406SS*.EExtended strand (participates in β ladder)trans-84.4150.2170.8-69.7-176.1177.6178.73.3109.8Q583R554-Q583 HydrophobicContact CG-CB 4.04Å
555L81.3Confident82Confident31 Ų3174.9 Ų74.916%0.16239%0.389CS..PPolyproline II helixtrans-70.9153.5170.5-59.7166.6000110.3L561 A581 E582 F584 L602L555-L561 HydrophobicContact CD1-CB 3.54Å; L555-L561 HydrophobicContact CD2-CB 4.32Å; L555-L561 HydrophobicContact CG-CB 4.48Å; L555-A581 WeakPolarHBondContact CD1-O 3.37Å; L555-E582 PolarHBondContact N-O 2.9Å; L555-E582 VanDerWaalsContact N-O 3.1Å; L555-F584 HydrophobicContact CD2-CD1 4.13Å; L555-F584 HydrophobicContact CD2-CE1 3.95Å; L555-L602 HydrophobicContact CD2-CD1 4.34Å
556P75Confident81.7Confident19 Ų1975.9 Ų75.912%0.12338%0.377CS..PPolyproline II helixtrans-55.8156.3169.2-28.437.9000113.7G558 Y559 D606P556-G558 PolarHBondContact O-N 3.27Å; P556-Y559 HydrophobicContact CB-CD2 3.8Å; P556-Y559 HydrophobicContact CB-CE2 4.36Å; P556-Y559 PolarHBondContact O-N 2.89Å; P556-Y559 VanDerWaalsContact O-N 3.11Å; P556-D606 WeakPolarHBondContact CB-OD1 3.31Å
557E67.6Low80.6Confident194 Ų19470.8 Ų70.891%0.90736%0.364SS*.THydrogen-bonded Turntrans-63137.1-178.1-167.5168-171.900111.4Y559E557-Y559 VanDerWaalsContact C-N 3.28Å; E557-Y559 WeakPolarHBondContact O-CD2 3.36Å; E557-Y559 PolarHBondContact O-N 3.3Å
558G70.3Confident79.7Confident78 Ų7869.9 Ų69.980%0.80436%0.359SS*.THydrogen-bonded Turntrans83.4-15.3-173.400000115.5P556P556-G558 PolarHBondContact O-N 3.27Å
559Y78Confident77.9Confident97 Ų9779.8 Ų79.838%0.3840%0.402SS..  trans-93.8151.2178.2-66.3-95.2000112.6P556 E557 L605P556-Y559 HydrophobicContact CB-CD2 3.8Å; P556-Y559 HydrophobicContact CB-CE2 4.36Å; P556-Y559 PolarHBondContact O-N 2.89Å; P556-Y559 VanDerWaalsContact O-N 3.11Å; E557-Y559 VanDerWaalsContact C-N 3.28Å; E557-Y559 WeakPolarHBondContact O-CD2 3.36Å; E557-Y559 PolarHBondContact O-N 3.3Å; Y559-L605 HydrophobicContact CD1-CD1 3.93Å; Y559-L605 HydrophobicContact CE1-CB 4.37Å; Y559-L605 HydrophobicContact CE1-CD1 3.9Å; Y559-L605 HydrophobicContact CE1-CD2 4.02Å; Y559-L605 HydrophobicContact CE1-CG 4.33Å; Y559-L605 HydrophobicContact CE2-CB 4.2Å; Y559-L605 HydrophobicContact CG-CD1 4.33Å
560R76.5Confident76.6Confident133 Ų13380.2 Ų80.250%0.50242%0.417SS..  trans-141.9138.8-179.9-67.8179.2175.8-173.47110.5Y562 E580R560-Y562 HydrophobicContact CB-CE2 3.9Å; R560-E580 WeakPolarHBondContact CD-OE1 3.24Å; R560-E580 IonicContact NH1-OE1 2.76Å
561L83Confident75.4Confident54 Ų5488.1 Ų88.128%0.28346%0.459SS..EExtended strand (participates in β ladder)trans-99.2127.8179179.364.6000109.8V508 L555 E580 A581 F584V508-L561 HydrophobicContact CB-CD2 4.26Å; V508-L561 HydrophobicContact CG1-CD2 3.95Å; V508-L561 HydrophobicContact CG2-CD2 4.43Å; L555-L561 HydrophobicContact CD1-CB 3.54Å; L555-L561 HydrophobicContact CD2-CB 4.32Å; L555-L561 HydrophobicContact CG-CB 4.48Å; L561-E580 CarbonylContact O-C 3.58Å; L561-E580 WeakPolarHBondContact O-CA 3.28Å; L561-A581 HydrophobicContact CB-CB 4.43Å; L561-A581 WeakPolarHBondContact CB-O 3.45Å; L561-A581 HydrophobicContact CD2-CB 4.36Å; L561-A581 PolarHBondContact N-O 3.13Å; L561-A581 VanDerWaalsContact N-O 3.17Å; L561-A581 PolarHBondContact O-N 3.01Å; L561-F584 HydrophobicContact CD2-CB 4.03Å; L561-F584 HydrophobicContact CD2-CD1 4.41Å; L561-F584 HydrophobicContact CD2-CG 4.16Å
562Y81.4Confident73.9Confident83 Ų8392.6 Ų92.633%0.32548%0.484SS..EExtended strand (participates in β ladder)trans-118.1130.2175.8-66.4-74.2000110.5K457 M503 R560 A577 K579 E580K457-Y562 PolarHBondContact NZ-OH 3.34Å; M503-Y562 HydrophobicContact CE-CD1 3.85Å; M503-Y562 HydrophobicContact CE-CE1 4.08Å; M503-Y562 HydrophobicContact SD-CE1 4.24Å; R560-Y562 HydrophobicContact CB-CE2 3.9Å; Y562-A577 HydrophobicContact CD1-CB 4Å; Y562-A577 HydrophobicContact CG-CB 4.24Å; Y562-K579 WeakPolarHBondContact CA-O 3.47Å; Y562-E580 HydrophobicContact CD1-CB 3.99Å; Y562-E580 HydrophobicContact CD1-CG 4.09Å; Y562-E580 HydrophobicContact CE1-CB 3.89Å; Y562-E580 VanDerWaalsContact CE1-CD 3.46Å; Y562-E580 HydrophobicContact CE1-CG 3.66Å; Y562-E580 WeakPolarHBondContact CE1-OE1 3.49Å; Y562-E580 PolarHBondContact OH-OE1 2.75Å
563V81.4Confident73.1Confident59 Ų5995.1 Ų95.136%0.35850%0.499SS..EExtended strand (participates in β ladder)trans-81118.3163.8-177.40000106.6V508 L578 K579V508-V563 HydrophobicContact CG2-CG2 3.96Å; V563-L578 PolarHBondContact O-N 2.99Å; V563-K579 HydrophobicContact CB-CB 4.15Å; V563-K579 HydrophobicContact CG2-CB 4.3Å; V563-K579 PolarHBondContact N-O 3.34Å; V563-K579 PolarHBondContact O-N 2.78Å
564T79.1Confident72.2Confident65 Ų6599.2 Ų99.240%0.39952%0.515SS..EExtended strand (participates in β ladder)trans-113148.2-176.956.70000111.6L575 T576 A577T564-L575 HydrophobicContact CG2-CB 4.13Å; T564-T576 CarbonylContact C-O 3.56Å; T564-T576 VanDerWaalsContact CA-O 3.26Å; T564-T576 WeakPolarHBondContact CA-O 3.48Å; T564-A577 HydrophobicContact CG2-CB 4.35Å
565E77.9Confident71.7Confident105 Ų10595 Ų9549%0.49151%0.507SS..EExtended strand (participates in β ladder)trans-107.2135.3166.9178.5176.6-148.500108.7T567 T576 L578E565-T567 HydrophobicContact CG-CG2 4.1Å; E565-T567 PolarHBondContact O-N 3.31Å; E565-T576 PolarHBondContact N-O 2.9Å; E565-T576 PolarHBondContact O-N 3.48Å; E565-L578 HydrophobicContact CB-CD1 3.74Å; E565-L578 HydrophobicContact CB-CD2 4.47Å; E565-L578 HydrophobicContact CB-CG 4.03Å
566N75.6Confident71.2Confident91 Ų9195.9 Ų95.949%0.48751%0.514SS..EExtended strand (participates in β ladder)trans-79.9108.3173.3-176.710.8000109.6S568 Q574 L575N566-S568 PolarHBondContact ND2-OG 2.98Å; N566-S568 VanDerWaalsContact OD1-CB 3.22Å; N566-S568 WeakPolarHBondContact OD1-CB 3.43Å; N566-S568 PolarHBondContact OD1-N 3.25Å; N566-S568 VanDerWaalsContact OD1-N 3.09Å; N566-S568 PolarHBondContact OD1-OG 2.83Å; N566-Q574 PolarHBondContact OD1-O 2.93Å; N566-L575 HydrophobicContact CB-CD2 4.26Å
567T66Low71Confident53 Ų5397.2 Ų97.233%0.32553%0.526SS..  trans-104.318.5-179.854.90000112.5E565 Q574 T576E565-T567 HydrophobicContact CG-CG2 4.1Å; E565-T567 PolarHBondContact O-N 3.31Å; T567-Q574 PolarHBondContact N-O 3.09Å; T567-Q574 PolarHBondContact OG1-O 3.2Å; T567-T576 PolarHBondContact OG1-OG1 2.77Å
568S70.9Confident71.2Confident42 Ų4292 Ų9229%0.29450%0.504SS..  trans-57.6137.8-178.459.40000113.4N566 N572N566-S568 PolarHBondContact ND2-OG 2.98Å; N566-S568 VanDerWaalsContact OD1-CB 3.22Å; N566-S568 WeakPolarHBondContact OD1-CB 3.43Å; N566-S568 PolarHBondContact OD1-N 3.25Å; N566-S568 VanDerWaalsContact OD1-N 3.09Å; N566-S568 PolarHBondContact OD1-OG 2.83Å; S568-N572 WeakPolarHBondContact CB-O 3.5Å
569K52.9Low71.4Confident212 Ų21292.7 Ų92.792%0.92249%0.485SS*.SBendtrans-123.884.6164-67.2-172.5-179.9-175.80108.8
570G62.1Low71.4Confident54 Ų5489.4 Ų89.456%0.55747%0.473SS*.SBendtrans115.9-169.3-173.900000112.6N572G570-N572 VanDerWaalsContact C-N 3.27Å; G570-N572 PolarHBondContact O-N 2.98Å
571D66.2Low71.7Confident167 Ų16783.3 Ų83.389%0.89345%0.451SS*.SBendtrans-67.9-20.8-168.8-55.6-32.6000114.8V573D571-V573 PolarHBondContact O-N 3.28Å
572N54.5Low71.5Confident138 Ų13886.4 Ų86.474%0.73846%0.464SS*.SBendtrans-81.7109.5177.2-74.5-13.8000110.8S568 G570 Q574S568-N572 WeakPolarHBondContact CB-O 3.5Å; G570-N572 VanDerWaalsContact C-N 3.27Å; G570-N572 PolarHBondContact O-N 2.98Å; N572-Q574 PolarHBondContact O-N 3.45Å
573V68.9Low71.7Confident104 Ų10486.8 Ų86.863%0.6347%0.469SS*.  trans-63.6114.2174.1-176.60000109.9D571 L575D571-V573 PolarHBondContact O-N 3.28Å; V573-L575 HydrophobicContact CG1-CD2 3.88Å; V573-L575 HydrophobicContact CG1-CG 4.07Å
574Q64.8Low71.9Confident110 Ų11084.5 Ų84.551%0.51445%0.454SS..  trans-108.8116.4172.7-72.5-168.2-32.900109.2N566 T567 N572N566-Q574 PolarHBondContact OD1-O 2.93Å; T567-Q574 PolarHBondContact N-O 3.09Å; T567-Q574 PolarHBondContact OG1-O 3.2Å; N572-Q574 PolarHBondContact O-N 3.45Å
575L72.9Confident72.4Confident107 Ų10781.8 Ų81.856%0.5644%0.438SS*.EExtended strand (participates in β ladder)trans-101.2114.5178.7-61.5-179.7000109.8T564 N566 V573T564-L575 HydrophobicContact CG2-CB 4.13Å; N566-L575 HydrophobicContact CB-CD2 4.26Å; V573-L575 HydrophobicContact CG1-CD2 3.88Å; V573-L575 HydrophobicContact CG1-CG 4.07Å
576T70.2Confident73Confident48 Ų4876.9 Ų76.929%0.29442%0.415SS..EExtended strand (participates in β ladder)trans-91.3117.3173.6-630000109T564 E565 T567 L578T564-T576 CarbonylContact C-O 3.56Å; T564-T576 VanDerWaalsContact CA-O 3.26Å; T564-T576 WeakPolarHBondContact CA-O 3.48Å; E565-T576 PolarHBondContact N-O 2.9Å; E565-T576 PolarHBondContact O-N 3.48Å; T567-T576 PolarHBondContact OG1-OG1 2.77Å; T576-L578 HydrophobicContact CG2-CD2 4.24Å; T576-L578 PolarHBondContact O-N 3.19Å
577A70.8Confident73.7Confident47 Ų4772.8 Ų72.839%0.38839%0.392SS..EExtended strand (participates in β ladder)trans-73.7113.8176.400000110.7M503 Y562 T564M503-A577 HydrophobicContact CE-CB 3.79Å; M503-A577 WeakPolarHBondContact CE-O 3.19Å; Y562-A577 HydrophobicContact CD1-CB 4Å; Y562-A577 HydrophobicContact CG-CB 4.24Å; T564-A577 HydrophobicContact CG2-CB 4.35Å
578L72Confident74.8Confident85 Ų8570.6 Ų70.645%0.44538%0.379SS..EExtended strand (participates in β ladder)trans-91.2-44.1-178.3-63.6-175.3000112.5V563 E565 T576V563-L578 PolarHBondContact O-N 2.99Å; E565-L578 HydrophobicContact CB-CD1 3.74Å; E565-L578 HydrophobicContact CB-CD2 4.47Å; E565-L578 HydrophobicContact CB-CG 4.03Å; T576-L578 HydrophobicContact CG2-CD2 4.24Å; T576-L578 PolarHBondContact O-N 3.19Å
579K75.2Confident75.6Confident93 Ų9372.1 Ų72.140%0.40438%0.384SS..EExtended strand (participates in β ladder)trans-137.8156.7-176.5-53.5-172.7-177.4-177.10110.9A506 Y562 V563A506-K579 HydrophobicContact CB-CB 3.8Å; A506-K579 HydrophobicContact CB-CD 3.84Å; A506-K579 HydrophobicContact CB-CG 4.46Å; Y562-K579 WeakPolarHBondContact CA-O 3.47Å; V563-K579 HydrophobicContact CB-CB 4.15Å; V563-K579 HydrophobicContact CG2-CB 4.3Å; V563-K579 PolarHBondContact N-O 3.34Å; V563-K579 PolarHBondContact O-N 2.78Å
580E78.2Confident77Confident27 Ų2768 Ų6813%0.12637%0.372CS..EExtended strand (participates in β ladder)trans-125.8148.3-178.5-177.1169.4-149.100110.5K457 M503 D504 K505 A506 R560 L561 Y562K457-E580 WeakPolarHBondContact CE-OE2 3.33Å; K457-E580 IonicContact NZ-OE1 3.25Å; K457-E580 PolarHBondContact NZ-OE1 3.26Å; K457-E580 IonicContact NZ-OE2 3.19Å; K457-E580 PolarHBondContact NZ-OE2 2.97Å; M503-E580 HydrophobicContact CE-CB 4.29Å; M503-E580 HydrophobicContact CG-CB 4.32Å; M503-E580 HydrophobicContact SD-CB 3.89Å; D504-E580 PolarHBondContact O-N 3.14Å; K505-E580 WeakPolarHBondContact CA-O 3.3Å; A506-E580 PolarHBondContact N-O 3.19Å; A506-E580 VanDerWaalsContact N-O 3.1Å; R560-E580 WeakPolarHBondContact CD-OE1 3.24Å; R560-E580 IonicContact NH1-OE1 2.76Å; L561-E580 CarbonylContact O-C 3.58Å; L561-E580 WeakPolarHBondContact O-CA 3.28Å; Y562-E580 HydrophobicContact CD1-CB 3.99Å; Y562-E580 HydrophobicContact CD1-CG 4.09Å; Y562-E580 HydrophobicContact CE1-CB 3.89Å; Y562-E580 VanDerWaalsContact CE1-CD 3.46Å; Y562-E580 HydrophobicContact CE1-CG 3.66Å; Y562-E580 WeakPolarHBondContact CE1-OE1 3.49Å; Y562-E580 PolarHBondContact OH-OE1 2.75Å
581A81Confident78Confident5 Ų567.7 Ų67.74%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-143.6139.5175.100000111V508 L555 L561V508-A581 HydrophobicContact CB-CB 4.48Å; V508-A581 HydrophobicContact CG2-CB 3.77Å; L555-A581 WeakPolarHBondContact CD1-O 3.37Å; L561-A581 HydrophobicContact CB-CB 4.43Å; L561-A581 WeakPolarHBondContact CB-O 3.45Å; L561-A581 HydrophobicContact CD2-CB 4.36Å; L561-A581 PolarHBondContact N-O 3.13Å; L561-A581 VanDerWaalsContact N-O 3.17Å; L561-A581 PolarHBondContact O-N 3.01Å
582E79.9Confident78.7Confident119 Ų11963.9 Ų63.956%0.55634%0.341SS*.SBendtrans-95.5-15.9173.1-65.1149.1175.400111.4K505 L555K505-E582 IonicContact NZ-OE1 3.54Å; K505-E582 PolarHBondContact NZ-OE1 2.76Å; K505-E582 IonicContact NZ-OE2 2.69Å; K505-E582 PolarHBondContact NZ-OE2 2.88Å; L555-E582 PolarHBondContact N-O 2.9Å; L555-E582 VanDerWaalsContact N-O 3.1Å
583Q84.4Confident79.8Confident92 Ų9257.7 Ų57.743%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-149154.2-179.168.2-176.122.500109.7T552 S553 R554T552-Q583 HydrophobicContact CG2-CB 4.24Å; T552-Q583 HydrophobicContact CG2-CG 4.09Å; S553-Q583 CarbonylContact O-C 3.59Å; S553-Q583 WeakPolarHBondContact O-CA 3.34Å; S553-Q583 WeakPolarHBondContact O-CB 3.41Å; R554-Q583 HydrophobicContact CG-CB 4.04Å
584F87.5Confident80.2Confident11 Ų1156.9 Ų56.95%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-148.3148.7-179.171.1-67.3000110.1V508 S553 L555 L561 V586 M598 L602V508-F584 HydrophobicContact CB-CB 3.98Å; V508-F584 HydrophobicContact CG1-CB 4.27Å; V508-F584 CarbonylContact O-C 3.49Å; V508-F584 WeakPolarHBondContact O-CA 3.26Å; V508-F584 WeakPolarHBondContact O-CB 2.99Å; S553-F584 PolarHBondContact N-O 3.28Å; S553-F584 PolarHBondContact O-N 2.88Å; L555-F584 HydrophobicContact CD2-CD1 4.13Å; L555-F584 HydrophobicContact CD2-CE1 3.95Å; L561-F584 HydrophobicContact CD2-CB 4.03Å; L561-F584 HydrophobicContact CD2-CD1 4.41Å; L561-F584 HydrophobicContact CD2-CG 4.16Å; F584-V586 HydrophobicContact CD2-CG2 3.87Å; F584-V586 HydrophobicContact CE2-CG2 3.25Å; F584-V586 HydrophobicContact CZ-CG2 3.64Å; F584-M598 HydrophobicContact CE2-CG 3.8Å; F584-M598 HydrophobicContact CZ-CG 3.88Å; F584-L602 HydrophobicContact CE1-CD1 3.52Å; F584-L602 HydrophobicContact CZ-CD1 3.51Å
585T89.1Confident80.8Confident8 Ų853.8 Ų53.85%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-89.3118.2179.7-41.40000109.6V508 H509 S510 M551 T552 W587V508-T585 PolarHBondContact O-N 2.83Å; H509-T585 CarbonylContact C-O 3.53Å; H509-T585 WeakPolarHBondContact CA-O 3.13Å; H509-T585 WeakPolarHBondContact ND1-CB 3.39Å; H509-T585 PolarHBondContact ND1-OG1 3.24Å; S510-T585 PolarHBondContact N-O 3.32Å; M551-T585 WeakPolarHBondContact O-CA 3.37Å; T552-T585 PolarHBondContact OG1-OG1 3.12Å; T552-T585 VanDerWaalsContact OG1-OG1 3.07Å; T585-W587 HydrophobicContact CG2-CD2 4.41Å; T585-W587 HydrophobicContact CG2-CZ2 3.8Å
586V89.6Confident81.2Confident1 Ų149.3 Ų49.31%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-91.8122.8174.5179.80000109G550 M551 F584 A596 L599G550-V586 CarbonylContact C-O 3.6Å; G550-V586 VanDerWaalsContact CA-O 3.27Å; G550-V586 WeakPolarHBondContact CA-O 3.39Å; M551-V586 PolarHBondContact N-O 3.33Å; M551-V586 PolarHBondContact O-N 3.47Å; F584-V586 HydrophobicContact CD2-CG2 3.87Å; F584-V586 HydrophobicContact CE2-CG2 3.25Å; F584-V586 HydrophobicContact CZ-CG2 3.64Å; V586-A596 HydrophobicContact CG1-CB 3.39Å; V586-L599 HydrophobicContact CB-CD2 4.48Å; V586-L599 HydrophobicContact CB-CG 4.38Å; V586-L599 HydrophobicContact CG1-CG 4.33Å; V586-L599 HydrophobicContact CG2-CD2 3.77Å; V586-L599 HydrophobicContact CG2-CG 4.06Å
587W90.8Very high81.7Confident5 Ų556.1 Ų56.12%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-102.5138.9176-59.393.8000110.7H509 S510 P512 F527 R531 E539 A541 L548 N549 T585H509-W587 AromaticContact CG-NE1 3.82Å; H509-W587 AromaticContact ND1-NE1 3.44Å; H509-W587 PolarHBondContact ND1-NE1 3.4Å; S510-W587 PolarHBondContact O-N 2.92Å; P512-W587 WeakPolarHBondContact CD-O 3.48Å; F527-W587 HydrophobicContact CE1-CZ2 4.21Å; F527-W587 HydrophobicContact CZ-CD2 4.16Å; F527-W587 AromaticContact CZ-CE2 3.57Å; F527-W587 HydrophobicContact CZ-CH2 4.34Å; F527-W587 AromaticContact CZ-CZ2 3.68Å; F527-W587 HydrophobicContact CZ-CZ2 3.68Å; F527-W587 AromaticContact CZ-NE1 3.69Å; R531-W587 HydrophobicContact CG-CH2 4.19Å; R531-W587 HydrophobicContact CG-CZ2 4.48Å; E539-W587 HydrophobicContact CB-CH2 3.57Å; E539-W587 HydrophobicContact CB-CZ2 4.47Å; E539-W587 HydrophobicContact CB-CZ3 3.93Å; E539-W587 WeakPolarHBondContact OE2-CH2 3.32Å; A541-W587 HydrophobicContact CB-CE3 4.23Å; A541-W587 HydrophobicContact CB-CH2 3.68Å; A541-W587 HydrophobicContact CB-CZ2 4.47Å; A541-W587 HydrophobicContact CB-CZ3 3.54Å; L548-W587 HydrophobicContact CB-CE3 3.78Å; L548-W587 HydrophobicContact CB-CZ3 4.47Å; L548-W587 HydrophobicContact CD1-CB 4.38Å; N549-W587 CarbonylContact O-C 3.58Å; N549-W587 WeakPolarHBondContact O-CA 3.43Å; T585-W587 HydrophobicContact CG2-CD2 4.41Å; T585-W587 HydrophobicContact CG2-CZ2 3.8Å
588S88.8Confident82.2Confident7 Ų758 Ų585%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-118.3140.1173-79.50000109.6L548 N549 D590 S591 D592L548-S588 WeakPolarHBondContact CA-O 3.27Å; N549-S588 PolarHBondContact N-O 2.9Å; N549-S588 PolarHBondContact O-N 3.39Å; S588-D590 PolarHBondContact O-N 2.9Å; S588-S591 WeakPolarHBondContact CB-O 3.43Å; S588-D592 PolarHBondContact OG-O 3.47Å
589L87.6Confident82.7Confident74 Ų7455.1 Ų55.139%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-81.6114.4175.5179.270.7000108.5P512 R546 L548 S591P512-L589 HydrophobicContact CG-CB 4.17Å; R546-L589 HydrophobicContact CB-CD1 3.79Å; L548-L589 HydrophobicContact CD2-CB 4.27Å; L548-L589 HydrophobicContact CD2-CD1 4.09Å; L589-S591 PolarHBondContact O-N 3.03Å; L589-S591 PolarHBondContact O-OG 2.93Å
590D83.4Confident83Confident126 Ų12656.4 Ų56.467%0.67429%0.287SS*.SBendtrans4736.5173.5-153.924.7000114.7P547 S588P547-D590 HydrophobicContact CG-CB 4.34Å; P547-D590 PolarHBondContact O-N 3.21Å; S588-D590 PolarHBondContact O-N 2.9Å
591S82.9Confident83.1Confident47 Ų4757.8 Ų57.833%0.32930%0.303SS..SBendtrans-152.6164.4-177.148.10000110.8N549 S588 L589N549-S591 WeakPolarHBondContact CB-O 3.4Å; N549-S591 PolarHBondContact ND2-O 2.78Å; S588-S591 WeakPolarHBondContact CB-O 3.43Å; L589-S591 PolarHBondContact O-N 3.03Å; L589-S591 PolarHBondContact O-OG 2.93Å
592D80.7Confident83Confident87 Ų8758.9 Ų58.947%0.46531%0.308SS..  trans-58.2128.2176.8170.713.7000110.9S588 N594 S595S588-D592 PolarHBondContact OG-O 3.47Å; D592-N594 PolarHBondContact O-N 3.44Å; D592-N594 WeakPolarHBondContact OD1-CB 3.14Å; D592-N594 PolarHBondContact OD1-N 3.2Å; D592-N594 PolarHBondContact OD1-ND2 3.13Å; D592-N594 WeakPolarHBondContact OD2-CB 3.3Å; D592-S595 VanDerWaalsContact O-CB 3.31Å; D592-S595 WeakPolarHBondContact O-CB 3.48Å; D592-S595 PolarHBondContact O-N 2.84Å; D592-S595 PolarHBondContact O-OG 3.08Å
593P76.7Confident82.9Confident8 Ų855.8 Ų55.85%0.05230%0.303CS..G310 helixtrans-55.2-32174.921.8-33000113.7M551 S595 A596 L599M551-P593 HydrophobicContact CB-CB 3.64Å; M551-P593 HydrophobicContact CB-CG 3.78Å; P593-S595 PolarHBondContact O-N 2.81Å; P593-A596 WeakPolarHBondContact O-CB 3.27Å; P593-A596 PolarHBondContact O-N 3.29Å; P593-A596 VanDerWaalsContact O-N 3.11Å; P593-L599 WeakPolarHBondContact O-CD1 3.45Å
594N78.7Confident82.4Confident87 Ų8760.2 Ų60.247%0.46532%0.316SS..G310 helixtrans-63.9-23.1176.6-60.8-68.3000113.2M551 D592 A596M551-N594 WeakPolarHBondContact CE-OD1 3.29Å; D592-N594 PolarHBondContact O-N 3.44Å; D592-N594 WeakPolarHBondContact OD1-CB 3.14Å; D592-N594 PolarHBondContact OD1-N 3.2Å; D592-N594 PolarHBondContact OD1-ND2 3.13Å; D592-N594 WeakPolarHBondContact OD2-CB 3.3Å; N594-A596 PolarHBondContact O-N 3.49Å
595S76.8Confident81.7Confident46 Ų4662.2 Ų62.232%0.32233%0.327SS..G310 helixtrans-72-13.817877.80000113.5D592 P593 K600D592-S595 VanDerWaalsContact O-CB 3.31Å; D592-S595 WeakPolarHBondContact O-CB 3.48Å; D592-S595 PolarHBondContact O-N 2.84Å; D592-S595 PolarHBondContact O-OG 3.08Å; P593-S595 PolarHBondContact O-N 2.81Å; S595-K600 VanDerWaalsContact O-CE 3.31Å; S595-K600 WeakPolarHBondContact O-CE 2.95Å; S595-K600 PolarHBondContact O-NZ 2.77Å
596A80.4Confident80.6Confident12 Ų1265.4 Ų65.410%0.09934%0.343CS..  trans-58.4134.7-172.300000113.3V586 P593 N594 M598 L599 K600V586-A596 HydrophobicContact CG1-CB 3.39Å; P593-A596 WeakPolarHBondContact O-CB 3.27Å; P593-A596 PolarHBondContact O-N 3.29Å; P593-A596 VanDerWaalsContact O-N 3.11Å; N594-A596 PolarHBondContact O-N 3.49Å; A596-M598 PolarHBondContact O-N 2.86Å; A596-M598 VanDerWaalsContact O-N 3.13Å; A596-L599 PolarHBondContact O-N 3.02Å; A596-K600 PolarHBondContact O-N 2.74Å
597K81.5Confident79.4Confident191 Ų19168.9 Ų68.983%0.8336%0.364SS*.Hα-helixtrans-57-31.3180-62.3-176.7-178.7-178.90112.9A601K597-A601 WeakPolarHBondContact O-CB 3.35Å; K597-A601 PolarHBondContact O-N 2.93Å
598M81.1Confident78.1Confident87 Ų8770.9 Ų70.943%0.42938%0.382SS..Hα-helixtrans-67.7-45.5179.5-172.663.381.200112.5F584 A596 K600 A601 L602F584-M598 HydrophobicContact CE2-CG 3.8Å; F584-M598 HydrophobicContact CZ-CG 3.88Å; A596-M598 PolarHBondContact O-N 2.86Å; A596-M598 VanDerWaalsContact O-N 3.13Å; M598-K600 VanDerWaalsContact C-N 3.33Å; M598-K600 PolarHBondContact O-N 3.44Å; M598-A601 WeakPolarHBondContact O-CB 3.48Å; M598-A601 PolarHBondContact O-N 2.76Å; M598-A601 VanDerWaalsContact O-N 3.15Å; M598-L602 PolarHBondContact O-N 2.9Å
599L82.9Confident76.6Confident24 Ų2472.6 Ų72.613%0.12639%0.394CS..Hα-helixtrans-65.1-40.6177.8-63.7179.3000111.1M551 S553 V586 P593 A596 A601 L602 A603M551-L599 HydrophobicContact CE-CD1 3.97Å; S553-L599 WeakPolarHBondContact OG-CD2 3.39Å; V586-L599 HydrophobicContact CB-CD2 4.48Å; V586-L599 HydrophobicContact CB-CG 4.38Å; V586-L599 HydrophobicContact CG1-CG 4.33Å; V586-L599 HydrophobicContact CG2-CD2 3.77Å; V586-L599 HydrophobicContact CG2-CG 4.06Å; P593-L599 WeakPolarHBondContact O-CD1 3.45Å; A596-L599 PolarHBondContact O-N 3.02Å; L599-A601 VanDerWaalsContact C-N 3.27Å; L599-A601 PolarHBondContact O-N 3.42Å; L599-L602 PolarHBondContact O-N 2.86Å; L599-A603 PolarHBondContact O-N 3.49Å
600K81.8Confident75Confident120 Ų12075.6 Ų75.652%0.52241%0.406SS..Hα-helixtrans-61.9-32.4173.2-68.1172.6177.1165.60113S595 A596 M598 W604S595-K600 VanDerWaalsContact O-CE 3.31Å; S595-K600 WeakPolarHBondContact O-CE 2.95Å; S595-K600 PolarHBondContact O-NZ 2.77Å; A596-K600 PolarHBondContact O-N 2.74Å; M598-K600 VanDerWaalsContact C-N 3.33Å; M598-K600 PolarHBondContact O-N 3.44Å; K600-W604 VanDerWaalsContact O-CD1 3.31Å
601A79.9Confident73.6Confident56 Ų5673.3 Ų73.346%0.46340%0.396SS..Hα-helixtrans-75.3-35.4174.400000112.5K597 M598 L599 W604K597-A601 WeakPolarHBondContact O-CB 3.35Å; K597-A601 PolarHBondContact O-N 2.93Å; M598-A601 WeakPolarHBondContact O-CB 3.48Å; M598-A601 PolarHBondContact O-N 2.76Å; M598-A601 VanDerWaalsContact O-N 3.15Å; L599-A601 VanDerWaalsContact C-N 3.27Å; L599-A601 PolarHBondContact O-N 3.42Å; A601-W604 WeakPolarHBondContact O-CB 3.46Å; A601-W604 PolarHBondContact O-N 2.95Å
602L78.7Confident71.7Confident29 Ų2978.6 Ų78.615%0.15241%0.414CS..Hα-helixtrans-67.6-37.2174.6-71.5178.7000112.5L555 F584 M598 L599 W604 L605L555-L602 HydrophobicContact CD2-CD1 4.34Å; F584-L602 HydrophobicContact CE1-CD1 3.52Å; F584-L602 HydrophobicContact CZ-CD1 3.51Å; M598-L602 PolarHBondContact O-N 2.9Å; L599-L602 PolarHBondContact O-N 2.86Å; L602-W604 PolarHBondContact O-N 2.84Å; L602-W604 VanDerWaalsContact O-N 3.14Å; L602-L605 HydrophobicContact CD2-CD1 3.66Å; L602-L605 VanDerWaalsContact O-CB 3.23Å; L602-L605 WeakPolarHBondContact O-CB 3.2Å; L602-L605 PolarHBondContact O-N 3.43Å
603A76.7Confident69.7Low53 Ų5378 Ų7844%0.43841%0.413SS..Hα-helixtrans-60-23.5175.300000113.6L599 L605 V607L599-A603 PolarHBondContact O-N 3.49Å; A603-L605 VanDerWaalsContact C-N 3.29Å; A603-L605 PolarHBondContact O-N 2.88Å; A603-V607 WeakPolarHBondContact O-CG2 3.47Å; A603-V607 PolarHBondContact O-N 3.35Å
604W74.7Confident67.6Low186 Ų18679.9 Ų79.971%0.70543%0.434SS*.Hα-helixtrans-70.9-21.2171.7-83.8101.9000113.5K600 A601 L602 V607 A608K600-W604 VanDerWaalsContact O-CD1 3.31Å; A601-W604 WeakPolarHBondContact O-CB 3.46Å; A601-W604 PolarHBondContact O-N 2.95Å; L602-W604 PolarHBondContact O-N 2.84Å; L602-W604 VanDerWaalsContact O-N 3.14Å; W604-V607 HydrophobicContact CE3-CB 4.39Å; W604-V607 HydrophobicContact CE3-CG1 4.2Å; W604-V607 HydrophobicContact CZ3-CG1 4.24Å; W604-A608 VanDerWaalsContact O-CB 3.24Å; W604-A608 WeakPolarHBondContact O-CB 3.23Å; W604-A608 PolarHBondContact O-N 3.32Å
605L73.4Confident65.6Low53 Ų5378.2 Ų78.228%0.27742%0.423SS..Hα-helixtrans-68-44.2176.2-63.1177.3000110.8Y559 L602 A603 A608 S609Y559-L605 HydrophobicContact CD1-CD1 3.93Å; Y559-L605 HydrophobicContact CE1-CB 4.37Å; Y559-L605 HydrophobicContact CE1-CD1 3.9Å; Y559-L605 HydrophobicContact CE1-CD2 4.02Å; Y559-L605 HydrophobicContact CE1-CG 4.33Å; Y559-L605 HydrophobicContact CE2-CB 4.2Å; Y559-L605 HydrophobicContact CG-CD1 4.33Å; L602-L605 HydrophobicContact CD2-CD1 3.66Å; L602-L605 VanDerWaalsContact O-CB 3.23Å; L602-L605 WeakPolarHBondContact O-CB 3.2Å; L602-L605 PolarHBondContact O-N 3.43Å; A603-L605 VanDerWaalsContact C-N 3.29Å; A603-L605 PolarHBondContact O-N 2.88Å; L605-A608 WeakPolarHBondContact O-CB 2.96Å; L605-A608 PolarHBondContact O-N 3.33Å; L605-A608 VanDerWaalsContact O-N 3.15Å; L605-S609 PolarHBondContact O-N 3.36Å; L605-S609 PolarHBondContact O-OG 3.23Å
606D65.4Low63.4Low75 Ų7579.9 Ų79.940%0.40144%0.439SS..Hα-helixtrans-61.2-46.2176.4-62-50.8000111.3P556 A608 S609 E610P556-D606 WeakPolarHBondContact CB-OD1 3.31Å; D606-A608 VanDerWaalsContact C-N 3.3Å; D606-A608 PolarHBondContact O-N 3.13Å; D606-S609 WeakPolarHBondContact CA-OG 3.02Å; D606-S609 PolarHBondContact O-N 3.5Å; D606-S609 PolarHBondContact O-OG 3.05Å; D606-E610 PolarHBondContact O-N 3.4Å
607V65.3Low61Low73 Ų7384.2 Ų84.244%0.44246%0.464SS..Hα-helixtrans-59.7-41.6173.9176.40000111A603 W604 V611A603-V607 WeakPolarHBondContact O-CG2 3.47Å; A603-V607 PolarHBondContact O-N 3.35Å; W604-V607 HydrophobicContact CE3-CB 4.39Å; W604-V607 HydrophobicContact CE3-CG1 4.2Å; W604-V607 HydrophobicContact CZ3-CG1 4.24Å; V607-V611 HydrophobicContact CG1-CG2 4.47Å; V607-V611 WeakPolarHBondContact O-CB 3.25Å; V607-V611 VanDerWaalsContact O-CG2 3.25Å; V607-V611 WeakPolarHBondContact O-CG2 3.49Å; V607-V611 PolarHBondContact O-N 3.44Å
608A62.2Low58.7Low48 Ų4878.4 Ų78.440%0.39745%0.445SS..Hα-helixtrans-67.4-38.2178.700000112.6W604 L605 D606 F612W604-A608 VanDerWaalsContact O-CB 3.24Å; W604-A608 WeakPolarHBondContact O-CB 3.23Å; W604-A608 PolarHBondContact O-N 3.32Å; L605-A608 WeakPolarHBondContact O-CB 2.96Å; L605-A608 PolarHBondContact O-N 3.33Å; L605-A608 VanDerWaalsContact O-N 3.15Å; D606-A608 VanDerWaalsContact C-N 3.3Å; D606-A608 PolarHBondContact O-N 3.13Å; A608-F612 WeakPolarHBondContact O-CB 3.34Å; A608-F612 PolarHBondContact O-N 3.04Å
609S58.2Low56.2Low42 Ų4283.3 Ų83.329%0.29447%0.466SS..Hα-helixtrans-66.8-42.5174.842.70000112.7L605 D606 F612 V613L605-S609 PolarHBondContact O-N 3.36Å; L605-S609 PolarHBondContact O-OG 3.23Å; D606-S609 WeakPolarHBondContact CA-OG 3.02Å; D606-S609 PolarHBondContact O-N 3.5Å; D606-S609 PolarHBondContact O-OG 3.05Å; S609-F612 WeakPolarHBondContact O-CB 3.36Å; S609-F612 PolarHBondContact O-N 2.64Å; S609-F612 VanDerWaalsContact O-N 3.11Å; S609-V613 WeakPolarHBondContact O-CG2 3.38Å; S609-V613 PolarHBondContact O-N 2.84Å
610E54.4Low53.6Low138 Ų13885.4 Ų85.465%0.64549%0.487SS*.Hα-helixtrans-64.7-41.9175.9-74.6-59135.900111.7D606 F612 V613 G614D606-E610 PolarHBondContact O-N 3.4Å; E610-F612 VanDerWaalsContact C-N 3.27Å; E610-F612 PolarHBondContact O-N 3.04Å; E610-V613 PolarHBondContact O-N 3.04Å; E610-G614 PolarHBondContact O-N 2.02Å
611V52.9Low51.4Low78 Ų7886.1 Ų86.147%0.47350%0.504SS..Hα-helixtrans-57.7-41.8171.2167.50000110.5V607 F615V607-V611 HydrophobicContact CG1-CG2 4.47Å; V607-V611 WeakPolarHBondContact O-CB 3.25Å; V607-V611 VanDerWaalsContact O-CG2 3.25Å; V607-V611 WeakPolarHBondContact O-CG2 3.49Å; V607-V611 PolarHBondContact O-N 3.44Å; V611-F615 HydrophobicContact CG1-CE2 4Å; V611-F615 WeakPolarHBondContact O-CD2 3.49Å; V611-F615 VanDerWaalsContact O-CE2 3.22Å; V611-F615 WeakPolarHBondContact O-CE2 3.37Å
612F43.7Very low49.1Very low157 Ų15789.1 Ų89.169%0.68952%0.517SS*.Hα-helixtrans-67.9-41.9178.3-128.9-88.3000113.7A608 S609 E610 G614 F615A608-F612 WeakPolarHBondContact O-CB 3.34Å; A608-F612 PolarHBondContact O-N 3.04Å; S609-F612 WeakPolarHBondContact O-CB 3.36Å; S609-F612 PolarHBondContact O-N 2.64Å; S609-F612 VanDerWaalsContact O-N 3.11Å; E610-F612 VanDerWaalsContact C-N 3.27Å; E610-F612 PolarHBondContact O-N 3.04Å; F612-G614 VanDerWaalsContact C-N 3.32Å; F612-F615 PolarHBondContact O-N 3.17Å
613V39.2Very low46.8Very low75 Ų7598.7 Ų98.746%0.45555%0.551SS.*Hα-helixtrans-69.8-31.7178.2174.50000111.2S609 E610 F615 A616 V617S609-V613 WeakPolarHBondContact O-CG2 3.38Å; S609-V613 PolarHBondContact O-N 2.84Å; E610-V613 PolarHBondContact O-N 3.04Å; V613-F615 PolarHBondContact O-N 3.02Å; V613-F615 VanDerWaalsContact O-N 3.15Å; V613-A616 PolarHBondContact O-N 3.38Å; V613-V617 HydrophobicContact CG1-CG2 4.1Å; V613-V617 PolarHBondContact O-N 3.35Å
614G32Very low45.1Very low48 Ų48102.7 Ų102.750%0.49557%0.572SS.*Hα-helixtrans-57.3-23.1171.900000114.8E610 F612 V618E610-G614 PolarHBondContact O-N 2.02Å; F612-G614 VanDerWaalsContact C-N 3.32Å; G614-V618 WeakPolarHBondContact O-CG2 3.37Å
615F36.5Very low43.5Very low52 Ų5296.3 Ų96.323%0.22856%0.564CS.*Hα-helixtrans-78.8-32.7170.1-64.6-101.4000113.1V611 F612 V613 V634 T635V611-F615 HydrophobicContact CG1-CE2 4Å; V611-F615 WeakPolarHBondContact O-CD2 3.49Å; V611-F615 VanDerWaalsContact O-CE2 3.22Å; V611-F615 WeakPolarHBondContact O-CE2 3.37Å; F612-F615 PolarHBondContact O-N 3.17Å; V613-F615 PolarHBondContact O-N 3.02Å; V613-F615 VanDerWaalsContact O-N 3.15Å; F615-V634 HydrophobicContact CD1-CG1 4.1Å; F615-V634 HydrophobicContact CD2-CG1 4.05Å; F615-V634 VanDerWaalsContact CE1-C 3.41Å; F615-V634 HydrophobicContact CE1-CB 4.44Å; F615-V634 HydrophobicContact CE1-CG1 3.54Å; F615-V634 WeakPolarHBondContact CE1-O 3.39Å; F615-V634 HydrophobicContact CE2-CG1 3.46Å; F615-V634 VanDerWaalsContact CE2-CG1 3.46Å; F615-V634 HydrophobicContact CG-CG1 4.35Å; F615-V634 HydrophobicContact CZ-CB 4.36Å; F615-V634 HydrophobicContact CZ-CG1 3.18Å; F615-V634 VanDerWaalsContact CZ-O 3.31Å; F615-V634 WeakPolarHBondContact CZ-O 3.47Å; F615-T635 HydrophobicContact CD1-CG2 4.08Å; F615-T635 HydrophobicContact CE1-CG2 4.42Å
616A30.8Very low41.7Very low80 Ų80104 Ų10466%0.66159%0.591SS**Hα-helixtrans-84.8-20.8-166.200000114.2V613 V618V613-A616 PolarHBondContact O-N 3.38Å; A616-V618 VanDerWaalsContact C-N 3.33Å
617V29.3Very low40.3Very low103 Ų103108.6 Ų108.662%0.62461%0.608SS**THydrogen-bonded Turntrans-87.8-1.3-176.6-177.30000112.5V613 E619V613-V617 HydrophobicContact CG1-CG2 4.1Å; V613-V617 PolarHBondContact O-N 3.35Å; V617-E619 VanDerWaalsContact C-N 3.25Å; V617-E619 PolarHBondContact O-N 2.95Å
618V32.7Very low38.8Very low70 Ų70107.2 Ų107.242%0.42460%0.604SS.*THydrogen-bonded Turntrans-87.849.5-173.3-158.90000113.1G614 A616 Y631G614-V618 WeakPolarHBondContact O-CG2 3.37Å; A616-V618 VanDerWaalsContact C-N 3.33Å; V618-Y631 HydrophobicContact CB-CD2 3.91Å; V618-Y631 HydrophobicContact CB-CE2 3.65Å; V618-Y631 HydrophobicContact CG1-CD2 3.77Å; V618-Y631 HydrophobicContact CG1-CE2 3.79Å; V618-Y631 HydrophobicContact CG1-CG 4.25Å; V618-Y631 HydrophobicContact CG2-CD2 3.74Å; V618-Y631 HydrophobicContact CG2-CE2 3.87Å
619E28.5Very low37.5Very low189 Ų189108.5 Ų108.588%0.88361%0.61SS**THydrogen-bonded Turntrans-115.34.7160.7-72.2-163.6158.100112.8V617 P621V617-E619 VanDerWaalsContact C-N 3.25Å; V617-E619 PolarHBondContact O-N 2.95Å; E619-P621 WeakPolarHBondContact O-CD 3.37Å
620A28.3Very low36.4Very low69 Ų69112 Ų11257%0.5763%0.625SS**SBendtrans-83.6118.217300000111.4V622A620-V622 PolarHBondContact O-N 3.06Å
621P36Very low35.7Very low134 Ų134109.5 Ų109.587%0.8761%0.61SS**  trans-80.283.2-174.732-35.4000112E619E619-P621 WeakPolarHBondContact O-CD 3.37Å
622V31.4Very low34.8Very low120 Ų120110.4 Ų110.473%0.72761%0.612SS**  trans-122.3102.1176.9-1720000111.8A620A620-V622 PolarHBondContact O-N 3.06Å
623R30.6Very low34.6Very low230 Ų230106.1 Ų106.187%0.86860%0.602SS**  trans40117.1165.7-71.4-174.2174.2172.7-0.6118.8
624P41.7Very low34.6Very low136 Ų136104.7 Ų104.788%0.88359%0.594SS**SBendtrans-75.1136.2-177.532-34.1000112.2
625G41.5Very low34.9Very low53 Ų53103 Ų10355%0.54657%0.573SS.*SBendtrans162.3-84.7176.300000112.2
626Y35.5Very low35.3Very low214 Ų214104.1 Ų104.184%0.83959%0.588SS**Hα-helixtrans-86.1-45.4-168.5-134.5-102.3000114A628 S629Y626-A628 VanDerWaalsContact C-N 3.27Å; Y626-A628 PolarHBondContact O-N 3.47Å; Y626-S629 PolarHBondContact O-N 3.23Å
627F35.1Very low36.1Very low171 Ų171105.6 Ų105.675%0.7558%0.584SS**Hα-helixtrans-66.4-26.9178.2-85.4-84000113.3S629 L630 Y631F627-S629 VanDerWaalsContact C-N 3.27Å; F627-S629 PolarHBondContact O-N 3Å; F627-L630 PolarHBondContact O-N 2.76Å; F627-Y631 VanDerWaalsContact O-CB 3.23Å; F627-Y631 WeakPolarHBondContact O-CB 3.23Å; F627-Y631 PolarHBondContact O-N 3.14Å
628A34.3Very low37Very low44 Ų44102.5 Ų102.536%0.36457%0.567SS.*Hα-helixtrans-61.7-33.9175.200000112.6Y626 N632Y626-A628 VanDerWaalsContact C-N 3.27Å; Y626-A628 PolarHBondContact O-N 3.47Å; A628-N632 WeakPolarHBondContact O-CB 3.18Å; A628-N632 PolarHBondContact O-N 3.37Å; A628-N632 PolarHBondContact O-ND2 3.41Å; A628-N632 PolarHBondContact O-OD1 3.46Å
629S34.7Very low38Very low76 Ų7699.6 Ų99.653%0.53155%0.549SS..Hα-helixtrans-69.1-44.6177-1760000111.9Y626 F627 N632 S633Y626-S629 PolarHBondContact O-N 3.23Å; F627-S629 VanDerWaalsContact C-N 3.27Å; F627-S629 PolarHBondContact O-N 3Å; S629-N632 PolarHBondContact O-N 3.03Å; S629-S633 WeakPolarHBondContact O-CB 3.49Å; S629-S633 PolarHBondContact O-N 3.07Å; S629-S633 PolarHBondContact O-OG 3.19Å
630L35.3Very low39.3Very low114 Ų11498.9 Ų98.960%0.59754%0.54SS*.Hα-helixtrans-68-43.6177.5-149.981.2000111F627 S633 V634F627-L630 PolarHBondContact O-N 2.76Å; L630-S633 PolarHBondContact O-N 3.12Å; L630-V634 VanDerWaalsContact O-CB 3.3Å; L630-V634 WeakPolarHBondContact O-CB 3.37Å; L630-V634 VanDerWaalsContact O-CG2 3.29Å; L630-V634 WeakPolarHBondContact O-CG2 3.43Å; L630-V634 PolarHBondContact O-N 2.97Å
631Y38.6Very low40.6Very low86 Ų86102.7 Ų102.734%0.33754%0.544SS..Hα-helixtrans-58.5-48.7174.2-176.4-110.7000111.3V618 F627 S633 V634 T635V618-Y631 HydrophobicContact CB-CD2 3.91Å; V618-Y631 HydrophobicContact CB-CE2 3.65Å; V618-Y631 HydrophobicContact CG1-CD2 3.77Å; V618-Y631 HydrophobicContact CG1-CE2 3.79Å; V618-Y631 HydrophobicContact CG1-CG 4.25Å; V618-Y631 HydrophobicContact CG2-CD2 3.74Å; V618-Y631 HydrophobicContact CG2-CE2 3.87Å; F627-Y631 VanDerWaalsContact O-CB 3.23Å; F627-Y631 WeakPolarHBondContact O-CB 3.23Å; F627-Y631 PolarHBondContact O-N 3.14Å; Y631-S633 VanDerWaalsContact C-N 3.34Å; Y631-S633 PolarHBondContact O-N 3.47Å; Y631-V634 PolarHBondContact O-N 3.05Å; Y631-T635 HydrophobicContact CD1-CG2 4.26Å; Y631-T635 HydrophobicContact CD2-CG2 3.8Å; Y631-T635 HydrophobicContact CE1-CG2 4.04Å; Y631-T635 HydrophobicContact CE2-CG2 3.55Å; Y631-T635 HydrophobicContact CG-CG2 4.18Å; Y631-T635 VanDerWaalsContact O-CB 3.25Å; Y631-T635 WeakPolarHBondContact O-CB 3.15Å; Y631-T635 VanDerWaalsContact O-CG2 3.31Å; Y631-T635 WeakPolarHBondContact O-CG2 3.17Å; Y631-T635 PolarHBondContact O-N 3.25Å; Y631-T635 PolarHBondContact O-OG1 2.82Å
632N35.9Very low41.8Very low97 Ų97104.1 Ų104.152%0.51953%0.533SS..Hα-helixtrans-63.6-37.8177.4-72-3.5000112.2A628 S629 T635 S636A628-N632 WeakPolarHBondContact O-CB 3.18Å; A628-N632 PolarHBondContact O-N 3.37Å; A628-N632 PolarHBondContact O-ND2 3.41Å; A628-N632 PolarHBondContact O-OD1 3.46Å; S629-N632 PolarHBondContact O-N 3.03Å; N632-T635 WeakPolarHBondContact CA-OG1 3.36Å; N632-T635 PolarHBondContact O-OG1 3.01Å; N632-S636 WeakPolarHBondContact O-CA 3.31Å; N632-S636 WeakPolarHBondContact O-CB 3.25Å; N632-S636 PolarHBondContact O-N 3.06Å
633S38.7Very low43.7Very low67 Ų6799.3 Ų99.347%0.46950%0.503SS..Hα-helixtrans-68.8-41.2178.9-58.10000112.4S629 L630 Y631 L637S629-S633 WeakPolarHBondContact O-CB 3.49Å; S629-S633 PolarHBondContact O-N 3.07Å; S629-S633 PolarHBondContact O-OG 3.19Å; L630-S633 PolarHBondContact O-N 3.12Å; Y631-S633 VanDerWaalsContact C-N 3.34Å; Y631-S633 PolarHBondContact O-N 3.47Å; S633-L637 PolarHBondContact O-N 3Å
634V40Very low45.6Very low46 Ų4689.4 Ų89.428%0.27947%0.469SS..Hα-helixtrans-82.1-42.4-175.1173.20000110.5F615 L630 Y631 L637 S638F615-V634 HydrophobicContact CD1-CG1 4.1Å; F615-V634 HydrophobicContact CD2-CG1 4.05Å; F615-V634 VanDerWaalsContact CE1-C 3.41Å; F615-V634 HydrophobicContact CE1-CB 4.44Å; F615-V634 HydrophobicContact CE1-CG1 3.54Å; F615-V634 WeakPolarHBondContact CE1-O 3.39Å; F615-V634 HydrophobicContact CE2-CG1 3.46Å; F615-V634 VanDerWaalsContact CE2-CG1 3.46Å; F615-V634 HydrophobicContact CG-CG1 4.35Å; F615-V634 HydrophobicContact CZ-CB 4.36Å; F615-V634 HydrophobicContact CZ-CG1 3.18Å; F615-V634 VanDerWaalsContact CZ-O 3.31Å; F615-V634 WeakPolarHBondContact CZ-O 3.47Å; L630-V634 VanDerWaalsContact O-CB 3.3Å; L630-V634 WeakPolarHBondContact O-CB 3.37Å; L630-V634 VanDerWaalsContact O-CG2 3.29Å; L630-V634 WeakPolarHBondContact O-CG2 3.43Å; L630-V634 PolarHBondContact O-N 2.97Å; Y631-V634 PolarHBondContact O-N 3.05Å; V634-L637 PolarHBondContact O-N 3.42Å; V634-S638 PolarHBondContact O-N 2.98Å; V634-S638 VanDerWaalsContact O-N 3.11Å
635T37.9Very low47.3Very low11 Ų1185.2 Ų85.27%0.06744%0.442CS..Hα-helixtrans-59.2-46.4165.858.10000111.4F615 Y631 N632 L637 S638 C639F615-T635 HydrophobicContact CD1-CG2 4.08Å; F615-T635 HydrophobicContact CE1-CG2 4.42Å; Y631-T635 HydrophobicContact CD1-CG2 4.26Å; Y631-T635 HydrophobicContact CD2-CG2 3.8Å; Y631-T635 HydrophobicContact CE1-CG2 4.04Å; Y631-T635 HydrophobicContact CE2-CG2 3.55Å; Y631-T635 HydrophobicContact CG-CG2 4.18Å; Y631-T635 VanDerWaalsContact O-CB 3.25Å; Y631-T635 WeakPolarHBondContact O-CB 3.15Å; Y631-T635 VanDerWaalsContact O-CG2 3.31Å; Y631-T635 WeakPolarHBondContact O-CG2 3.17Å; Y631-T635 PolarHBondContact O-N 3.25Å; Y631-T635 PolarHBondContact O-OG1 2.82Å; N632-T635 WeakPolarHBondContact CA-OG1 3.36Å; N632-T635 PolarHBondContact O-OG1 3.01Å; T635-L637 PolarHBondContact O-N 3.44Å; T635-L637 VanDerWaalsContact O-N 3.11Å; T635-S638 PolarHBondContact O-N 3.29Å; T635-S638 VanDerWaalsContact O-N 3.11Å; T635-C639 WeakPolarHBondContact O-CA 3.33Å; T635-C639 WeakPolarHBondContact O-CB 3.15Å; T635-C639 PolarHBondContact O-N 3.11Å; T635-C639 PolarHBondContact O-SG 3Å
636S43.9Very low48.9Very low76 Ų7685.2 Ų85.253%0.53143%0.428SS..Hα-helixtrans-53.9-36176.5-179.10000112.7N632 C639 Y640N632-S636 WeakPolarHBondContact O-CA 3.31Å; N632-S636 WeakPolarHBondContact O-CB 3.25Å; N632-S636 PolarHBondContact O-N 3.06Å; S636-C639 CarbonylContact O-C 3.58Å; S636-Y640 VanDerWaalsContact O-CB 3.26Å; S636-Y640 WeakPolarHBondContact O-CB 3.49Å; S636-Y640 PolarHBondContact O-N 2.91Å
637L47.8Very low50.5Low112 Ų11280 Ų8059%0.58641%0.414SS*.Hα-helixtrans-71.5-46.6175.2-99.8154.8000113.6S633 V634 T635 Y640 F641S633-L637 PolarHBondContact O-N 3Å; V634-L637 PolarHBondContact O-N 3.42Å; T635-L637 PolarHBondContact O-N 3.44Å; T635-L637 VanDerWaalsContact O-N 3.11Å; L637-Y640 WeakPolarHBondContact O-CB 3.28Å; L637-Y640 PolarHBondContact O-N 2.96Å; L637-Y640 VanDerWaalsContact O-N 3.15Å; L637-F641 HydrophobicContact CD2-CE2 4.34Å; L637-F641 VanDerWaalsContact O-CD2 3.28Å; L637-F641 WeakPolarHBondContact O-CD2 3.43Å
638S48.7Very low51.9Low38 Ų3878 Ų7827%0.26641%0.407SS..Hα-helixtrans-63.2-46174.4-179.10000111.2V634 T635 Y640 F641 Y642V634-S638 PolarHBondContact O-N 2.98Å; V634-S638 VanDerWaalsContact O-N 3.11Å; T635-S638 PolarHBondContact O-N 3.29Å; T635-S638 VanDerWaalsContact O-N 3.11Å; S638-Y640 PolarHBondContact O-N 3.07Å; S638-F641 PolarHBondContact O-N 3.21Å; S638-F641 VanDerWaalsContact O-N 3.13Å; S638-Y642 PolarHBondContact O-N 3.23Å
639C53.4Low53.5Low8 Ų877.4 Ų77.45%0.05440%0.396CS..Hα-helixtrans-68.2-11.2174.4-54.30000112.9T635 S636 Y642 C644 Y649T635-C639 WeakPolarHBondContact O-CA 3.33Å; T635-C639 WeakPolarHBondContact O-CB 3.15Å; T635-C639 PolarHBondContact O-N 3.11Å; T635-C639 PolarHBondContact O-SG 3Å; S636-C639 CarbonylContact O-C 3.58Å; C639-Y642 CarbonylContact C-O 3.26Å; C639-Y642 VanDerWaalsContact CA-O 3.26Å; C639-Y642 WeakPolarHBondContact CA-O 3.45Å; C639-C644 WeakPolarHBondContact CA-SG 3.42Å; C639-C644 HydrophobicContact CB-CB 3.74Å; C639-C644 WeakPolarHBondContact CB-SG 3.33Å; C639-C644 WeakPolarHBondContact SG-CB 3.43Å; C639-C644 CovalentContact SG-SG 2.02Å; C639-C644 PolarHBondContact SG-SG 3.41Å; C639-Y649 HydrophobicContact CB-CE2 4.17Å; C639-Y649 WeakPolarHBondContact O-CE2 3.48Å; C639-Y649 PolarHBondContact O-OH 3.43Å
640Y56.6Low55.5Low175 Ų17574.1 Ų74.169%0.68637%0.372SS*.Hα-helixtrans-74.5-37.4170.3-174.1-95.9000110.8S636 L637 S638S636-Y640 VanDerWaalsContact O-CB 3.26Å; S636-Y640 WeakPolarHBondContact O-CB 3.49Å; S636-Y640 PolarHBondContact O-N 2.91Å; L637-Y640 WeakPolarHBondContact O-CB 3.28Å; L637-Y640 PolarHBondContact O-N 2.96Å; L637-Y640 VanDerWaalsContact O-N 3.15Å; S638-Y640 PolarHBondContact O-N 3.07Å
641F54.7Low57.5Low148 Ų14874.6 Ų74.665%0.64937%0.369SS*.Hα-helixtrans-91.5-28.8-179.9-64.3-72000113.6L637 S638L637-F641 HydrophobicContact CD2-CE2 4.34Å; L637-F641 VanDerWaalsContact O-CD2 3.28Å; L637-F641 WeakPolarHBondContact O-CD2 3.43Å; S638-F641 PolarHBondContact O-N 3.21Å; S638-F641 VanDerWaalsContact O-N 3.13Å
642Y62.3Low59.6Low164 Ų16473.5 Ų73.564%0.64337%0.369SS*.SBendtrans-123.3154.4-177.1-61.1-77.7000111.8S638 C639S638-Y642 PolarHBondContact O-N 3.23Å; C639-Y642 CarbonylContact C-O 3.26Å; C639-Y642 VanDerWaalsContact CA-O 3.26Å; C639-Y642 WeakPolarHBondContact CA-O 3.45Å
643E69.6Low62.2Low19 Ų1971.1 Ų71.19%0.08936%0.356CS..  trans-72.3134.9170.4-69.3175.8113.800110.1Y649 K718 S722 R723 Y724E643-Y649 HydrophobicContact CB-CD1 4.32Å; E643-Y649 HydrophobicContact CG-CD1 3.9Å; E643-Y649 HydrophobicContact CG-CE1 4.21Å; E643-K718 VanDerWaalsContact CD-CD 3.48Å; E643-K718 VanDerWaalsContact CD-CE 3.43Å; E643-K718 HydrophobicContact CG-CD 4.14Å; E643-K718 WeakPolarHBondContact OE1-CD 3.37Å; E643-K718 WeakPolarHBondContact OE1-CG 3.39Å; E643-K718 IonicContact OE2-NZ 2.62Å; E643-K718 PolarHBondContact OE2-NZ 2.85Å; E643-S722 WeakPolarHBondContact OE1-CA 3.47Å; E643-S722 WeakPolarHBondContact OE1-CB 3.23Å; E643-S722 PolarHBondContact OE1-OG 3.42Å; E643-S722 WeakPolarHBondContact OE2-CA 3.15Å; E643-R723 PolarHBondContact OE2-N 2.82Å; E643-Y724 HydrophobicContact CB-CE2 4.06Å; E643-Y724 PolarHBondContact O-OH 3.3Å; E643-Y724 VanDerWaalsContact O-OH 3.04Å
644C72.3Confident64.6Low23 Ų2369.2 Ų69.216%0.15534%0.341CS..  trans-116.7154.7175.5-72.80000111.2C639 Q646 Y649 Y724C639-C644 WeakPolarHBondContact CA-SG 3.42Å; C639-C644 HydrophobicContact CB-CB 3.74Å; C639-C644 WeakPolarHBondContact CB-SG 3.33Å; C639-C644 WeakPolarHBondContact SG-CB 3.43Å; C639-C644 CovalentContact SG-SG 2.02Å; C639-C644 PolarHBondContact SG-SG 3.41Å; C644-Q646 HydrophobicContact CB-CG 4.31Å; C644-Q646 PolarHBondContact O-N 2.95Å; C644-Y649 HydrophobicContact CB-CD2 4.47Å; C644-Y649 WeakPolarHBondContact O-CB 3.17Å; C644-Y724 VanDerWaalsContact CA-OH 3.23Å; C644-Y724 WeakPolarHBondContact CA-OH 3.37Å; C644-Y724 WeakPolarHBondContact O-CE2 3.38Å
645C76.8Confident67Low48 Ų4871.4 Ų71.432%0.32436%0.356SS..SBendtrans-79.556.8176.9-167.50000110.6Y724 C758C645-Y724 HydrophobicContact CB-CE1 4.47Å; C645-Y724 PolarHBondContact N-OH 2.75Å; C645-C758 HydrophobicContact CB-CB 3.66Å; C645-C758 WeakPolarHBondContact CB-SG 3.12Å; C645-C758 WeakPolarHBondContact SG-CA 3.49Å; C645-C758 WeakPolarHBondContact SG-CB 3.45Å; C645-C758 CovalentContact SG-SG 2.04Å; C645-C758 PolarHBondContact SG-SG 2.84Å
646Q74.7Confident69.6Low53 Ų5371.4 Ų71.425%0.24836%0.357CS..SBendtrans-131.7162-176.9-65.2179.9-34.400110.5C644 E648 Y649 I650C644-Q646 HydrophobicContact CB-CG 4.31Å; C644-Q646 PolarHBondContact O-N 2.95Å; Q646-E648 VanDerWaalsContact CB-OE2 3.29Å; Q646-E648 WeakPolarHBondContact CB-OE2 3.46Å; Q646-E648 PolarHBondContact O-N 3.22Å; Q646-Y649 PolarHBondContact O-N 2.86Å; Q646-Y649 VanDerWaalsContact O-N 3.07Å; Q646-I650 PolarHBondContact O-N 3.17Å
647D69.5Low71.9Confident104 Ų10467.8 Ų67.856%0.55633%0.332SS*.THydrogen-bonded Turntrans-63.7-23.2-173-65.6-22.7000113.1Y649 I650 R760D647-Y649 PolarHBondContact O-N 3.13Å; D647-I650 CarbonylContact O-C 3.47Å; D647-R760 IonicContact OD1-CZ 3.31Å; D647-R760 IonicContact OD1-NH1 3.63Å; D647-R760 PolarHBondContact OD1-NH1 3.45Å; D647-R760 IonicContact OD1-NH2 3.99Å
648E64.2Low74.1Confident128 Ų12866.7 Ų66.760%0.59832%0.32SS*.THydrogen-bonded Turntrans-64.1-25.5174.7-67.274.8-167.600113.4Q646Q646-E648 VanDerWaalsContact CB-OE2 3.29Å; Q646-E648 WeakPolarHBondContact CB-OE2 3.46Å; Q646-E648 PolarHBondContact O-N 3.22Å
649Y67.8Low76.3Confident33 Ų3372.5 Ų72.513%0.12934%0.337CS..THydrogen-bonded Turntrans-109.3-36178.9-79.9-78.9000112.7C639 E643 C644 Q646 D647 K651 K717C639-Y649 HydrophobicContact CB-CE2 4.17Å; C639-Y649 WeakPolarHBondContact O-CE2 3.48Å; C639-Y649 PolarHBondContact O-OH 3.43Å; E643-Y649 HydrophobicContact CB-CD1 4.32Å; E643-Y649 HydrophobicContact CG-CD1 3.9Å; E643-Y649 HydrophobicContact CG-CE1 4.21Å; C644-Y649 HydrophobicContact CB-CD2 4.47Å; C644-Y649 WeakPolarHBondContact O-CB 3.17Å; Q646-Y649 PolarHBondContact O-N 2.86Å; Q646-Y649 VanDerWaalsContact O-N 3.07Å; D647-Y649 PolarHBondContact O-N 3.13Å; Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 PolarHBondContact O-N 3.03Å; Y649-K717 HydrophobicContact CD1-CB 4.43Å; Y649-K717 HydrophobicContact CD1-CD 4.09Å; Y649-K717 HydrophobicContact CE1-CD 4.08Å; Y649-K717 PolarHBondContact O-N 3.02Å
650I77.6Confident78.1Confident6 Ų673.5 Ų73.53%0.03134%0.34CS..SBendtrans-93.665.4176.5-49.6-177.2000108.7Q646 D647 I652 L715 Y716 R760Q646-I650 PolarHBondContact O-N 3.17Å; D647-I650 CarbonylContact O-C 3.47Å; I650-I652 HydrophobicContact CG2-CG1 4.39Å; I650-I652 PolarHBondContact O-N 3.45Å; I650-L715 CarbonylContact C-O 3.6Å; I650-L715 VanDerWaalsContact C-O 3.26Å; I650-L715 VanDerWaalsContact CA-O 3.26Å; I650-L715 WeakPolarHBondContact CA-O 3.5Å; I650-L715 WeakPolarHBondContact CG2-O 3.41Å; I650-Y716 HydrophobicContact CD1-CE1 4.32Å; I650-Y716 HydrophobicContact CG1-CD1 4.12Å; I650-Y716 HydrophobicContact CG1-CE1 4.2Å; I650-Y716 HydrophobicContact CG2-CD1 4.31Å; I650-Y716 HydrophobicContact CG2-CE1 4.09Å; I650-R760 HydrophobicContact CD1-CB 3.84Å
651K76.2Confident79.8Confident124 Ų12465.2 Ų65.254%0.53931%0.308SS..  trans-80.597.8180-171.9-161.9176.1-152.50110.5Y649 D653 H714 L715Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 PolarHBondContact O-N 3.03Å; K651-D653 IonicContact NZ-OD2 3.07Å; K651-D653 PolarHBondContact NZ-OD2 3.29Å; K651-D653 PolarHBondContact O-N 2.59Å; K651-H714 CarbonylContact O-C 3.43Å; K651-L715 PolarHBondContact N-O 3.48Å
652I83.4Confident81.6Confident63 Ų6364.5 Ų64.532%0.32330%0.304SS..  trans-75.587.8178.6-56.7166.6000110.7I650 L654 F683 L715I650-I652 HydrophobicContact CG2-CG1 4.39Å; I650-I652 PolarHBondContact O-N 3.45Å; I652-L654 HydrophobicContact CG2-CD1 4.26Å; I652-L654 HydrophobicContact CG2-CD2 3.96Å; I652-L654 HydrophobicContact CG2-CG 3.82Å; I652-L654 PolarHBondContact O-N 2.96Å; I652-F683 HydrophobicContact CD1-CD1 3.67Å; I652-F683 HydrophobicContact CD1-CD2 4.4Å; I652-F683 HydrophobicContact CD1-CE1 3.89Å; I652-F683 HydrophobicContact CD1-CG 3.96Å; I652-F683 HydrophobicContact CD1-CZ 4.35Å; I652-F683 HydrophobicContact CG2-CD2 3.81Å; I652-F683 HydrophobicContact CG2-CE2 4.23Å; I652-F683 HydrophobicContact CG2-CG 4.18Å; I652-L715 HydrophobicContact CB-CD2 4.42Å; I652-L715 HydrophobicContact CG1-CD2 4.22Å; I652-L715 HydrophobicContact CG2-CD2 3.97Å
653D89.4Confident82.9Confident47 Ų4762.3 Ų62.325%0.25130%0.3SS..  trans-100.469.7-178.2-163.6-18.4000112.2K651 G656 L657 H714K651-D653 IonicContact NZ-OD2 3.07Å; K651-D653 PolarHBondContact NZ-OD2 3.29Å; K651-D653 PolarHBondContact O-N 2.59Å; D653-G656 PolarHBondContact O-N 2.71Å; D653-G656 WeakPolarHBondContact OD1-CA 3.44Å; D653-G656 PolarHBondContact OD1-N 2.83Å; D653-L657 WeakPolarHBondContact O-CB 3.26Å; D653-L657 PolarHBondContact O-N 2.95Å; D653-H714 PolarHBondContact N-O 3.04Å; D653-H714 PolarHBondContact O-CD2 3.49Å
654L89.3Confident83.9Confident28 Ų2865.6 Ų65.615%0.14731%0.312CS..Hα-helixtrans-63.1-37178.5-53.6178.2000114.2I652 L657 R658 L679 A680I652-L654 HydrophobicContact CG2-CD1 4.26Å; I652-L654 HydrophobicContact CG2-CD2 3.96Å; I652-L654 HydrophobicContact CG2-CG 3.82Å; I652-L654 PolarHBondContact O-N 2.96Å; L654-L657 HydrophobicContact CD2-CD2 4.43Å; L654-L657 PolarHBondContact O-N 3.17Å; L654-R658 PolarHBondContact O-N 3.4Å; L654-L679 HydrophobicContact CD2-CB 3.82Å; L654-L679 HydrophobicContact CD2-CD1 4.49Å; L654-A680 HydrophobicContact CD1-CB 3.84Å
655P91.1Very high84.8Confident92 Ų9265 Ų6560%0.59731%0.307SS*.Hα-helixtrans-65.3-37.5173.7-22.235.3000113R659P655-R659 PolarHBondContact O-N 3.46Å
656G91.5Very high85.5Confident10 Ų1064.6 Ų64.610%0.10330%0.299CS..Hα-helixtrans-61.8-50.2170.200000111.4D653 R658 R659 E660 H714D653-G656 PolarHBondContact O-N 2.71Å; D653-G656 WeakPolarHBondContact OD1-CA 3.44Å; D653-G656 PolarHBondContact OD1-N 2.83Å; G656-R658 VanDerWaalsContact C-N 3.31Å; G656-R658 PolarHBondContact O-N 3.05Å; G656-R659 WeakPolarHBondContact O-CA 3.34Å; G656-R659 WeakPolarHBondContact O-CB 3.4Å; G656-R659 PolarHBondContact O-N 3.29Å; G656-E660 PolarHBondContact O-N 3.48Å; G656-H714 VanDerWaalsContact C-CD2 3.5Å
657L93.2Very high86.2Confident0 Ų062.8 Ų62.80%030%0.295CS..Hα-helixtrans-55.6-46.5179.1-178.861.6000111.4D653 L654 R659 E660 L661 V676 L679 F710 V711 H714D653-L657 WeakPolarHBondContact O-CB 3.26Å; D653-L657 PolarHBondContact O-N 2.95Å; L654-L657 HydrophobicContact CD2-CD2 4.43Å; L654-L657 PolarHBondContact O-N 3.17Å; L657-R659 PolarHBondContact O-N 2.81Å; L657-E660 PolarHBondContact O-N 3.35Å; L657-L661 HydrophobicContact CD1-CD1 3.8Å; L657-L661 HydrophobicContact CD1-CD2 4.48Å; L657-L661 HydrophobicContact CD1-CG 3.9Å; L657-L661 HydrophobicContact CG-CD1 3.79Å; L657-L661 HydrophobicContact CG-CG 4.29Å; L657-L661 VanDerWaalsContact O-CB 3.25Å; L657-L661 WeakPolarHBondContact O-CB 3.32Å; L657-L661 WeakPolarHBondContact O-CG 3.41Å; L657-L661 PolarHBondContact O-N 3.19Å; L657-V676 HydrophobicContact CD2-CG2 4.41Å; L657-V676 HydrophobicContact CG-CG2 4.31Å; L657-L679 HydrophobicContact CD2-CD1 3.66Å; L657-F710 HydrophobicContact CD1-CB 3.83Å; L657-V711 HydrophobicContact CD1-CG2 4.39Å; L657-V711 HydrophobicContact CD2-CG2 4.35Å; L657-H714 HydrophobicContact CB-CB 3.79Å; L657-H714 HydrophobicContact CD1-CB 4.17Å; L657-H714 HydrophobicContact CG-CB 4.4Å; L657-H714 PolarHBondContact N-CD2 2.77Å; L657-H714 PolarHBondContact N-NE2 2.79Å
658R93.8Very high87.3Confident89 Ų8958 Ų5834%0.33627%0.269SS..Hα-helixtrans-62.6-32177.8-161.4173.5-164158.85.7112.9L654 G656 K662 N673 V676L654-R658 PolarHBondContact O-N 3.4Å; G656-R658 VanDerWaalsContact C-N 3.31Å; G656-R658 PolarHBondContact O-N 3.05Å; R658-K662 WeakPolarHBondContact O-CB 3.49Å; R658-K662 VanDerWaalsContact O-CG 3.3Å; R658-K662 WeakPolarHBondContact O-CG 3.19Å; R658-K662 PolarHBondContact O-N 3.09Å; R658-N673 PolarHBondContact NH2-OD1 2.77Å; R658-V676 HydrophobicContact CB-CG1 4.02Å; R658-V676 HydrophobicContact CB-CG2 4.17Å; R658-V676 HydrophobicContact CG-CG1 4.15Å; R658-V676 HydrophobicContact CG-CG2 4.29Å
659R93.8Very high88.5Confident161 Ų16154.2 Ų54.261%0.60825%0.251SS*.Hα-helixtrans-74.6-51.5178.8-166.5-170.2-50171.97.1111.1P655 G656 L657 L661 K662 Q663P655-R659 PolarHBondContact O-N 3.46Å; G656-R659 WeakPolarHBondContact O-CA 3.34Å; G656-R659 WeakPolarHBondContact O-CB 3.4Å; G656-R659 PolarHBondContact O-N 3.29Å; L657-R659 PolarHBondContact O-N 2.81Å; R659-L661 PolarHBondContact O-N 3.24Å; R659-K662 PolarHBondContact O-N 3.01Å; R659-Q663 WeakPolarHBondContact O-CG 3.45Å; R659-Q663 PolarHBondContact O-N 3.29Å; R659-Q663 VanDerWaalsContact O-N 3.07Å
660E92.2Very high89.7Confident29 Ų2953.5 Ų53.514%0.13625%0.25CC..Hα-helixtrans-65.7-40.6-178.6-162.3176.6-172.800111G656 L657 K662 Q663 R664 F710 R713 H714G656-E660 PolarHBondContact O-N 3.48Å; L657-E660 PolarHBondContact O-N 3.35Å; E660-K662 PolarHBondContact O-N 3.2Å; E660-Q663 PolarHBondContact O-N 3.02Å; E660-Q663 VanDerWaalsContact O-N 3.15Å; E660-R664 HydrophobicContact CG-CG 4.44Å; E660-R664 PolarHBondContact O-N 2.84Å; E660-R664 IonicContact OE1-CZ 2.69Å; E660-R664 IonicContact OE1-NE 3.59Å; E660-R664 IonicContact OE1-NH1 3.9Å; E660-R664 PolarHBondContact OE1-NH1 3.26Å; E660-F710 HydrophobicContact CB-CD1 4.43Å; E660-F710 HydrophobicContact CG-CD1 3.79Å; E660-F710 HydrophobicContact CG-CE1 3.62Å; E660-F710 HydrophobicContact CG-CZ 4.5Å; E660-F710 WeakPolarHBondContact OE1-CE1 3.25Å; E660-F710 VanDerWaalsContact OE2-CD1 3.31Å; E660-F710 WeakPolarHBondContact OE2-CD1 3.47Å; E660-R713 IonicContact OE1-NH1 2.7Å; E660-R713 PolarHBondContact OE1-NH1 3.11Å; E660-R713 VanDerWaalsContact OE1-NH1 3.07Å; E660-R713 IonicContact OE2-NH1 3.03Å; E660-R713 PolarHBondContact OE2-NH1 3.31Å; E660-H714 IonicContact OE2-CE1 3.22Å; E660-H714 PolarHBondContact OE2-CE1 2.81Å; E660-H714 IonicContact OE2-NE2 2.79Å
661L93Very high90.4Very high0 Ų053.3 Ų53.30%025%0.249CC..Hα-helixtrans-59.6-43.2173.9-72176.8000112.4L657 R659 Q663 V665 I672 V676 V707 F710L657-L661 HydrophobicContact CD1-CD1 3.8Å; L657-L661 HydrophobicContact CD1-CD2 4.48Å; L657-L661 HydrophobicContact CD1-CG 3.9Å; L657-L661 HydrophobicContact CG-CD1 3.79Å; L657-L661 HydrophobicContact CG-CG 4.29Å; L657-L661 VanDerWaalsContact O-CB 3.25Å; L657-L661 WeakPolarHBondContact O-CB 3.32Å; L657-L661 WeakPolarHBondContact O-CG 3.41Å; L657-L661 PolarHBondContact O-N 3.19Å; R659-L661 PolarHBondContact O-N 3.24Å; L661-Q663 VanDerWaalsContact C-N 3.3Å; L661-Q663 PolarHBondContact O-N 2.88Å; L661-V665 HydrophobicContact CD2-CG2 3.69Å; L661-V665 VanDerWaalsContact O-CB 3.29Å; L661-V665 WeakPolarHBondContact O-CB 3.45Å; L661-V665 PolarHBondContact O-N 3.28Å; L661-I672 HydrophobicContact CB-CG1 4.22Å; L661-I672 HydrophobicContact CB-CG2 4.24Å; L661-V676 HydrophobicContact CD1-CG2 3.78Å; L661-V707 HydrophobicContact CD2-CG1 4.21Å; L661-V707 HydrophobicContact CD2-CG2 4.25Å; L661-F710 HydrophobicContact CD2-CB 3.99Å; L661-F710 HydrophobicContact CD2-CD2 3.65Å; L661-F710 HydrophobicContact CD2-CE2 4.45Å; L661-F710 HydrophobicContact CD2-CG 4.08Å
662K91.9Very high91Very high133 Ų13348.2 Ų48.258%0.57823%0.227SC*.Hα-helixtrans-66.5-28.2176-81.8-175.7172.4-169.40113.9R658 R659 E660 I672R658-K662 WeakPolarHBondContact O-CB 3.49Å; R658-K662 VanDerWaalsContact O-CG 3.3Å; R658-K662 WeakPolarHBondContact O-CG 3.19Å; R658-K662 PolarHBondContact O-N 3.09Å; R659-K662 PolarHBondContact O-N 3.01Å; E660-K662 PolarHBondContact O-N 3.2Å; K662-I672 HydrophobicContact CG-CG2 3.97Å
663Q90.2Very high91.2Very high118 Ų11848.6 Ų48.655%0.55123%0.23SC*.Hα-helixtrans-85.7-36.4-177.7-73.9174.3-29.300112.7R659 E660 L661 Y666R659-Q663 WeakPolarHBondContact O-CG 3.45Å; R659-Q663 PolarHBondContact O-N 3.29Å; R659-Q663 VanDerWaalsContact O-N 3.07Å; E660-Q663 PolarHBondContact O-N 3.02Å; E660-Q663 VanDerWaalsContact O-N 3.15Å; L661-Q663 VanDerWaalsContact C-N 3.3Å; L661-Q663 PolarHBondContact O-N 2.88Å; Q663-Y666 VanDerWaalsContact O-CE1 3.27Å; Q663-Y666 WeakPolarHBondContact O-CE1 3.39Å; Q663-Y666 PolarHBondContact O-OH 2.94Å
664R90.4Very high91.4Very high88 Ų8847.3 Ų47.333%0.33222%0.224SC..Hα-helixtrans-113.6-15-169-67.7-177.1158.8176.8-13.7115.5E660 Y706 F710E660-R664 HydrophobicContact CG-CG 4.44Å; E660-R664 PolarHBondContact O-N 2.84Å; E660-R664 IonicContact OE1-CZ 2.69Å; E660-R664 IonicContact OE1-NE 3.59Å; E660-R664 IonicContact OE1-NH1 3.9Å; E660-R664 PolarHBondContact OE1-NH1 3.26Å; R664-Y706 HydrophobicContact CB-CE1 4.42Å; R664-F710 HydrophobicContact CB-CE1 4.45Å; R664-F710 HydrophobicContact CB-CE2 4.45Å; R664-F710 HydrophobicContact CB-CZ 3.76Å; R664-F710 HydrophobicContact CG-CZ 4.5Å
665V91.6Very high91.6Very high11 Ų1146 Ų467%0.06722%0.217CC..  trans-104.894.8-179.1-1720000110.3L661 Q668 Y706 V707 F710L661-V665 HydrophobicContact CD2-CG2 3.69Å; L661-V665 VanDerWaalsContact O-CB 3.29Å; L661-V665 WeakPolarHBondContact O-CB 3.45Å; L661-V665 PolarHBondContact O-N 3.28Å; V665-Q668 HydrophobicContact CG1-CB 3.79Å; V665-Q668 HydrophobicContact CG1-CG 3.92Å; V665-Y706 HydrophobicContact CG2-CD1 4.42Å; V665-V707 HydrophobicContact CG1-CG2 4.07Å; V665-V707 HydrophobicContact CG2-CG2 4.1Å; V665-F710 HydrophobicContact CG2-CD2 4.07Å; V665-F710 HydrophobicContact CG2-CE2 3.65Å
666Y90.5Very high91.7Very high40 Ų4042 Ų4216%0.15719%0.191CC..  trans-77.8141.7-177.9-52.9-54.3000112.7Q663 Q668 L867 L874 D878Q663-Y666 VanDerWaalsContact O-CE1 3.27Å; Q663-Y666 WeakPolarHBondContact O-CE1 3.39Å; Q663-Y666 PolarHBondContact O-OH 2.94Å; Y666-Q668 PolarHBondContact O-N 3.16Å; Y666-L867 WeakPolarHBondContact O-CD2 3.43Å; Y666-L874 HydrophobicContact CD1-CB 3.99Å; Y666-L874 HydrophobicContact CD1-CD1 3.77Å; Y666-L874 HydrophobicContact CD2-CB 3.52Å; Y666-L874 HydrophobicContact CE1-CB 4.16Å; Y666-L874 HydrophobicContact CE1-CD1 4.33Å; Y666-L874 HydrophobicContact CE2-CB 3.68Å; Y666-L874 HydrophobicContact CG-CB 3.69Å; Y666-L874 HydrophobicContact CG-CD1 3.98Å; Y666-D878 PolarHBondContact OH-OD1 3.06Å; Y666-D878 PolarHBondContact OH-OD2 2.95Å
667G88.6Confident91.8Very high15 Ų1545.5 Ų45.516%0.15521%0.207CC..SBendtrans72.5-20.917500000116.4H669 R824 H871G667-H669 VanDerWaalsContact C-N 3.26Å; G667-H669 PolarHBondContact O-N 3.39Å; G667-H669 PolarHBondContact O-ND1 3.46Å; G667-R824 VanDerWaalsContact O-CZ 3.3Å; G667-R824 PolarHBondContact O-NH1 2.91Å; G667-R824 PolarHBondContact O-NH2 3.37Å; G667-H871 WeakPolarHBondContact CA-CD2 3.47Å; G667-H871 VanDerWaalsContact CA-NE2 3.27Å; G667-H871 WeakPolarHBondContact CA-NE2 3.42Å; G667-H871 PolarHBondContact N-CD2 3.07Å; G667-H871 VanDerWaalsContact N-CD2 3.26Å
668Q93Very high91.9Very high2 Ų245.7 Ų45.71%0.00921%0.209CC..  trans-86.254.6-174.1-53.9-59.4-0.400113.5V665 Y666 L670 V671 I672 G702 F864 L865V665-Q668 HydrophobicContact CG1-CB 3.79Å; V665-Q668 HydrophobicContact CG1-CG 3.92Å; Y666-Q668 PolarHBondContact O-N 3.16Å; Q668-L670 VanDerWaalsContact C-N 3.3Å; Q668-L670 PolarHBondContact O-N 3.47Å; Q668-V671 HydrophobicContact CB-CB 3.9Å; Q668-V671 HydrophobicContact CB-CG2 3.73Å; Q668-V671 HydrophobicContact CG-CG2 4.4Å; Q668-V671 WeakPolarHBondContact O-CB 3.07Å; Q668-V671 PolarHBondContact O-N 2.95Å; Q668-V671 VanDerWaalsContact O-N 3.12Å; Q668-I672 WeakPolarHBondContact O-CG1 3.23Å; Q668-I672 PolarHBondContact O-N 3.34Å; Q668-G702 PolarHBondContact NE2-O 3.07Å; Q668-F864 HydrophobicContact CG-CD1 4.07Å; Q668-L865 PolarHBondContact NE2-O 3.48Å
669H90.7Very high91.8Very high49 Ų4941.4 Ų41.423%0.22719%0.193CC..Hα-helixtrans-58.9-35.7-176.166.3-81.5000113.6G667 R824 L865G667-H669 VanDerWaalsContact C-N 3.26Å; G667-H669 PolarHBondContact O-N 3.39Å; G667-H669 PolarHBondContact O-ND1 3.46Å; H669-R824 PolarHBondContact CE1-O 3.15Å; H669-R824 VanDerWaalsContact CE1-O 3.23Å; H669-L865 VanDerWaalsContact CE1-CD1 3.5Å; H669-L865 WeakPolarHBondContact CE1-CD1 3.26Å
670L91.6Very high91.7Very high19 Ų1935.6 Ų35.610%0.09918%0.179CC..Hα-helixtrans-63.3-49.3173.3-61.8179000111.5Q668 I672 N673 T674 L829 I832 P863 L865Q668-L670 VanDerWaalsContact C-N 3.3Å; Q668-L670 PolarHBondContact O-N 3.47Å; L670-I672 PolarHBondContact O-N 2.86Å; L670-N673 PolarHBondContact O-N 3.15Å; L670-T674 PolarHBondContact O-N 2.98Å; L670-T674 PolarHBondContact O-OG1 3.02Å; L670-T674 VanDerWaalsContact O-OG1 3.11Å; L670-L829 HydrophobicContact CD2-CB 4.34Å; L670-I832 HydrophobicContact CD1-CD1 3.9Å; L670-P863 HydrophobicContact CB-CG 4.2Å; L670-P863 HydrophobicContact CD1-CG 3.65Å; L670-L865 HydrophobicContact CD1-CD1 4.3Å; L670-L865 HydrophobicContact CD1-CG 4.49Å
671V92.5Very high91.6Very high1 Ų137 Ų371%0.00620%0.195CC..Hα-helixtrans-58.2-46.7-177.3-177.90000111.9Q668 N673 T674 V675 V707 V862 P863 F864Q668-V671 HydrophobicContact CB-CB 3.9Å; Q668-V671 HydrophobicContact CB-CG2 3.73Å; Q668-V671 HydrophobicContact CG-CG2 4.4Å; Q668-V671 WeakPolarHBondContact O-CB 3.07Å; Q668-V671 PolarHBondContact O-N 2.95Å; Q668-V671 VanDerWaalsContact O-N 3.12Å; V671-N673 VanDerWaalsContact C-N 3.31Å; V671-N673 PolarHBondContact O-N 3.43Å; V671-T674 PolarHBondContact O-N 3.19Å; V671-V675 HydrophobicContact CG1-CG2 3.9Å; V671-V675 WeakPolarHBondContact O-CB 3.4Å; V671-V675 WeakPolarHBondContact O-CG2 3.44Å; V671-V675 PolarHBondContact O-N 3.03Å; V671-V707 HydrophobicContact CG1-CG1 4Å; V671-V707 HydrophobicContact CG1-CG2 4.13Å; V671-V862 HydrophobicContact CB-CG1 4.09Å; V671-V862 HydrophobicContact CG1-CG1 3.84Å; V671-V862 HydrophobicContact CG2-CG1 3.81Å; V671-P863 WeakPolarHBondContact CG2-O 3.3Å; V671-F864 HydrophobicContact CB-CZ 4.41Å; V671-F864 HydrophobicContact CG1-CE1 4.06Å; V671-F864 HydrophobicContact CG1-CE2 4.06Å; V671-F864 HydrophobicContact CG1-CZ 3.58Å; V671-F864 HydrophobicContact CG2-CD1 4.07Å; V671-F864 HydrophobicContact CG2-CD2 3.97Å; V671-F864 HydrophobicContact CG2-CE1 4.02Å; V671-F864 HydrophobicContact CG2-CE2 3.89Å; V671-F864 HydrophobicContact CG2-CG 4.06Å; V671-F864 HydrophobicContact CG2-CZ 3.93Å
672I88.9Confident91.5Very high17 Ų1738 Ų389%0.08720%0.2CC..Hα-helixtrans-60.4-41.6-175.7-61.7169.3000111.2L661 K662 Q668 L670 V676L661-I672 HydrophobicContact CB-CG1 4.22Å; L661-I672 HydrophobicContact CB-CG2 4.24Å; K662-I672 HydrophobicContact CG-CG2 3.97Å; Q668-I672 WeakPolarHBondContact O-CG1 3.23Å; Q668-I672 PolarHBondContact O-N 3.34Å; L670-I672 PolarHBondContact O-N 2.86Å; I672-V676 WeakPolarHBondContact O-CB 3.39Å; I672-V676 VanDerWaalsContact O-CG2 3.26Å; I672-V676 WeakPolarHBondContact O-CG2 3.39Å
673N88.6Confident91.3Very high72 Ų7234.1 Ų34.139%0.38518%0.183SC..Hα-helixtrans-78-45.5-179.9-72.4-39.8000111.4R658 L670 V671 N677R658-N673 PolarHBondContact NH2-OD1 2.77Å; L670-N673 PolarHBondContact O-N 3.15Å; V671-N673 VanDerWaalsContact C-N 3.31Å; V671-N673 PolarHBondContact O-N 3.43Å; N673-N677 WeakPolarHBondContact O-CB 3.31Å; N673-N677 PolarHBondContact O-N 2.91Å; N673-N677 PolarHBondContact O-ND2 2.89Å
674T92.4Very high91.1Very high20 Ų2037.4 Ų37.412%0.12320%0.196CC..Hα-helixtrans-63.7-50.2-177.8-56.50000111.9L670 V671 N677 A678 L829 H860 V862L670-T674 PolarHBondContact O-N 2.98Å; L670-T674 PolarHBondContact O-OG1 3.02Å; L670-T674 VanDerWaalsContact O-OG1 3.11Å; V671-T674 PolarHBondContact O-N 3.19Å; T674-N677 PolarHBondContact O-N 3.08Å; T674-A678 WeakPolarHBondContact O-CB 3.29Å; T674-A678 PolarHBondContact O-N 3.11Å; T674-L829 HydrophobicContact CG2-CD2 4.41Å; T674-H860 HydrophobicContact CG2-CB 4.16Å; T674-V862 HydrophobicContact CG2-CG2 4.03Å
675V94.4Very high90.7Very high0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-65.1-46.1-175.9175.30000111.7V671 A678 L679 F696 V711 V862V671-V675 HydrophobicContact CG1-CG2 3.9Å; V671-V675 WeakPolarHBondContact O-CB 3.4Å; V671-V675 WeakPolarHBondContact O-CG2 3.44Å; V671-V675 PolarHBondContact O-N 3.03Å; V675-A678 PolarHBondContact O-N 3.33Å; V675-L679 HydrophobicContact CG1-CD1 3.87Å; V675-L679 VanDerWaalsContact O-CG 3.31Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.33Å; V675-F696 HydrophobicContact CG2-CE1 3.83Å; V675-F696 HydrophobicContact CG2-CZ 3.79Å; V675-V711 HydrophobicContact CG1-CG2 3.83Å; V675-V862 HydrophobicContact CG2-CG1 4.03Å; V675-V862 HydrophobicContact CG2-CG2 4.27Å
676V93.8Very high89.8Confident7 Ų741.3 Ų41.34%0.04224%0.24CC..Hα-helixtrans-67.2-41.9-179.7175.50000111.3L657 R658 L661 I672 A680L657-V676 HydrophobicContact CD2-CG2 4.41Å; L657-V676 HydrophobicContact CG-CG2 4.31Å; R658-V676 HydrophobicContact CB-CG1 4.02Å; R658-V676 HydrophobicContact CB-CG2 4.17Å; R658-V676 HydrophobicContact CG-CG1 4.15Å; R658-V676 HydrophobicContact CG-CG2 4.29Å; L661-V676 HydrophobicContact CD1-CG2 3.78Å; I672-V676 WeakPolarHBondContact O-CB 3.39Å; I672-V676 VanDerWaalsContact O-CG2 3.26Å; I672-V676 WeakPolarHBondContact O-CG2 3.39Å; V676-A680 VanDerWaalsContact O-CB 3.23Å; V676-A680 WeakPolarHBondContact O-CB 3.41Å; V676-A680 PolarHBondContact O-N 2.92Å
677N93.6Very high89.2Confident84 Ų8444.5 Ų44.545%0.44926%0.26SS..Hα-helixtrans-69.3-37.2179.2-67.7-11.6000111.7N673 T674 A680 A681N673-N677 WeakPolarHBondContact O-CB 3.31Å; N673-N677 PolarHBondContact O-N 2.91Å; N673-N677 PolarHBondContact O-ND2 2.89Å; T674-N677 PolarHBondContact O-N 3.08Å; N677-A680 PolarHBondContact O-N 3.29Å; N677-A681 VanDerWaalsContact O-CB 3.31Å; N677-A681 WeakPolarHBondContact O-CB 3.43Å; N677-A681 PolarHBondContact O-N 3.07Å
678A93.4Very high88.9Confident4 Ų444.7 Ų44.73%0.03326%0.256CS..Hα-helixtrans-63.5-48.4175.900000112.2T674 V675 A680 A681 H682 L692 L694 H860T674-A678 WeakPolarHBondContact O-CB 3.29Å; T674-A678 PolarHBondContact O-N 3.11Å; V675-A678 PolarHBondContact O-N 3.33Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A678-A680 PolarHBondContact O-N 2.9Å; A678-A681 PolarHBondContact O-N 3.38Å; A678-H682 WeakPolarHBondContact O-CB 3.26Å; A678-H682 PolarHBondContact O-N 3.32Å; A678-L692 HydrophobicContact CB-CD1 4.43Å; A678-L694 HydrophobicContact CB-CD2 3.96Å; A678-H860 WeakPolarHBondContact CB-CD2 3.45Å
679L93.4Very high88.4Confident0 Ų051.6 Ų51.60%029%0.287CS..Hα-helixtrans-62.4-41.3175.3-67.4166.6000111.3L654 L657 V675 H682 F683 L692 V711 L715 V798L654-L679 HydrophobicContact CD2-CB 3.82Å; L654-L679 HydrophobicContact CD2-CD1 4.49Å; L657-L679 HydrophobicContact CD2-CD1 3.66Å; V675-L679 HydrophobicContact CG1-CD1 3.87Å; V675-L679 VanDerWaalsContact O-CG 3.31Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.33Å; L679-H682 PolarHBondContact O-N 3.4Å; L679-F683 HydrophobicContact CB-CD2 4.36Å; L679-F683 HydrophobicContact CB-CE2 4.39Å; L679-F683 HydrophobicContact CD2-CE2 3.92Å; L679-F683 WeakPolarHBondContact O-CD2 3.45Å; L679-F683 PolarHBondContact O-N 3.39Å; L679-L692 HydrophobicContact CD2-CD2 3.75Å; L679-L692 HydrophobicContact CG-CD2 4.38Å; L679-V711 HydrophobicContact CD1-CG1 4.08Å; L679-V711 HydrophobicContact CD1-CG2 4.31Å; L679-L715 HydrophobicContact CD2-CD1 4.37Å; L679-V798 HydrophobicContact CD2-CG1 4.47Å
680A91.1Very high88.2Confident38 Ų3849.9 Ų49.931%0.31428%0.278SS..Hα-helixtrans-65-38.9176.200000113.1L654 V676 N677 A678 K684L654-A680 HydrophobicContact CD1-CB 3.84Å; V676-A680 VanDerWaalsContact O-CB 3.23Å; V676-A680 WeakPolarHBondContact O-CB 3.41Å; V676-A680 PolarHBondContact O-N 2.92Å; N677-A680 PolarHBondContact O-N 3.29Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A678-A680 PolarHBondContact O-N 2.9Å; A680-K684 WeakPolarHBondContact O-CB 3.46Å; A680-K684 PolarHBondContact O-N 3.35Å
681A89.9Confident88.1Confident59 Ų5949 Ų4949%0.48827%0.274SS..Hα-helixtrans-66.1-45.6175.200000111N677 A678N677-A681 VanDerWaalsContact O-CB 3.31Å; N677-A681 WeakPolarHBondContact O-CB 3.43Å; N677-A681 PolarHBondContact O-N 3.07Å; A678-A681 PolarHBondContact O-N 3.38Å
682H91Very high88.2Confident20 Ų2049.4 Ų49.49%0.09328%0.276CS..Hα-helixtrans-62.7-55179.1179.680.6000112.2A678 L679 K684 V685 K688 L692 R795A678-H682 WeakPolarHBondContact O-CB 3.26Å; A678-H682 PolarHBondContact O-N 3.32Å; L679-H682 PolarHBondContact O-N 3.4Å; H682-K684 VanDerWaalsContact C-N 3.27Å; H682-K684 PolarHBondContact O-N 3.43Å; H682-V685 PolarHBondContact O-N 3.42Å; H682-K688 PolarHBondContact NE2-NZ 3.07Å; H682-K688 WeakPolarHBondContact O-CE 3.36Å; H682-L692 HydrophobicContact CB-CB 4.22Å; H682-L692 HydrophobicContact CB-CD2 4.02Å; H682-R795 PolarHBondContact CE1-O 3.04Å; H682-R795 VanDerWaalsContact CE1-O 3.3Å
683F88.2Confident88.4Confident52 Ų5248.6 Ų48.623%0.22827%0.272CS..Hα-helixtrans-73.7-12.1-176-66.8-60.4000114.9I652 L679 L715 V798I652-F683 HydrophobicContact CD1-CD1 3.67Å; I652-F683 HydrophobicContact CD1-CD2 4.4Å; I652-F683 HydrophobicContact CD1-CE1 3.89Å; I652-F683 HydrophobicContact CD1-CG 3.96Å; I652-F683 HydrophobicContact CD1-CZ 4.35Å; I652-F683 HydrophobicContact CG2-CD2 3.81Å; I652-F683 HydrophobicContact CG2-CE2 4.23Å; I652-F683 HydrophobicContact CG2-CG 4.18Å; L679-F683 HydrophobicContact CB-CD2 4.36Å; L679-F683 HydrophobicContact CB-CE2 4.39Å; L679-F683 HydrophobicContact CD2-CE2 3.92Å; L679-F683 WeakPolarHBondContact O-CD2 3.45Å; L679-F683 PolarHBondContact O-N 3.39Å; F683-L715 HydrophobicContact CD2-CD2 4.45Å; F683-L715 HydrophobicContact CE2-CD1 4.46Å; F683-L715 HydrophobicContact CE2-CD2 3.58Å; F683-L715 HydrophobicContact CZ-CD2 4.02Å; F683-V798 HydrophobicContact CZ-CG2 4.02Å
684K85.5Confident88.7Confident187 Ų18745.2 Ų45.281%0.81325%0.254SS*.Hα-helixtrans-81.5-22.4175.4-175.3177.3-180-173.40113.2A680 H682A680-K684 WeakPolarHBondContact O-CB 3.46Å; A680-K684 PolarHBondContact O-N 3.35Å; H682-K684 VanDerWaalsContact C-N 3.27Å; H682-K684 PolarHBondContact O-N 3.43Å
685V82.4Confident88.7Confident75 Ų7544.2 Ų44.246%0.45525%0.248SC..  trans-88123.8-179.6177.10000109.5H682 D687 K688H682-V685 PolarHBondContact O-N 3.42Å; V685-D687 VanDerWaalsContact CG1-O 3.24Å; V685-D687 WeakPolarHBondContact CG1-O 3.35Å; V685-K688 HydrophobicContact CG1-CG 4.41Å; V685-K688 WeakPolarHBondContact O-CE 3.39Å
686A72Confident88.7Confident106 Ų10644.3 Ų44.388%0.87625%0.248SC*.SBendtrans-77.2-43.8179.700000112.9
687D78.3Confident88.7Confident108 Ų10844 Ų4458%0.57825%0.246SC*.SBendtrans-10192.4174.8-177.938.7000110.3V685 R795V685-D687 VanDerWaalsContact CG1-O 3.24Å; V685-D687 WeakPolarHBondContact CG1-O 3.35Å; D687-R795 IonicContact OD1-NH1 3.82Å; D687-R795 PolarHBondContact OD1-NH1 3.32Å
688K82.8Confident88.5Confident18 Ų1840 Ų408%0.07823%0.225CC..  trans-83.7148.2178.6-62.6165.4-176.4179.20109.2H682 V685 R795 D796H682-K688 PolarHBondContact NE2-NZ 3.07Å; H682-K688 WeakPolarHBondContact O-CE 3.36Å; V685-K688 HydrophobicContact CG1-CG 4.41Å; V685-K688 WeakPolarHBondContact O-CE 3.39Å; K688-R795 HydrophobicContact CB-CB 4.05Å; K688-R795 VanDerWaalsContact CD-O 3.27Å; K688-R795 WeakPolarHBondContact CD-O 3.4Å; K688-R795 VanDerWaalsContact O-CD 3.31Å; K688-R795 WeakPolarHBondContact O-CD 3.49Å; K688-R795 PolarHBondContact O-NH1 3.33Å; K688-D796 WeakPolarHBondContact CD-OD1 3.48Å; K688-D796 WeakPolarHBondContact CE-OD1 3.17Å; K688-D796 IonicContact NZ-OD1 3.2Å; K688-D796 PolarHBondContact NZ-OD1 3.19Å
689K81.3Confident88.3Confident148 Ų14844.4 Ų44.464%0.64324%0.241SC*.SBendtrans-103.9-14.2179.4-59.3-169.9175.6-171.40114.7Y785K689-Y785 HydrophobicContact CB-CD1 3.82Å; K689-Y785 HydrophobicContact CB-CE1 4.27Å; K689-Y785 WeakPolarHBondContact O-CA 3.43Å
690K86.7Confident88Confident12 Ų1247.4 Ų47.45%0.05226%0.259CS..SBendtrans-164163.317669.4153.2-171.2159.80109.9Y785 L857 D859K690-Y785 HydrophobicContact CB-CD1 4.01Å; K690-Y785 HydrophobicContact CB-CE1 4.29Å; K690-Y785 HydrophobicContact CB-CG 4.33Å; K690-Y785 HydrophobicContact CD-CD1 4.32Å; K690-Y785 HydrophobicContact CD-CD2 4.31Å; K690-Y785 HydrophobicContact CD-CE1 3.94Å; K690-Y785 HydrophobicContact CD-CE2 3.92Å; K690-Y785 HydrophobicContact CG-CD1 3.92Å; K690-Y785 HydrophobicContact CG-CE1 3.67Å; K690-Y785 HydrophobicContact CG-CG 4.46Å; K690-L857 PolarHBondContact NZ-O 3.19Å; K690-D859 WeakPolarHBondContact CE-OD1 3.42Å; K690-D859 WeakPolarHBondContact CE-OD2 3.41Å; K690-D859 IonicContact NZ-OD1 2.69Å; K690-D859 PolarHBondContact NZ-OD1 3.23Å; K690-D859 IonicContact NZ-OD2 2.67Å; K690-D859 PolarHBondContact NZ-OD2 3.16Å
691P90.4Very high87.7Confident2 Ų246.7 Ų46.71%0.01326%0.255CS..  trans-60.9162.7168.723.4-35.2000113.7F782 M783 F794 C797 F799P691-F782 WeakPolarHBondContact CG-O 3.48Å; P691-M783 HydrophobicContact CG-CG 4.46Å; P691-F794 WeakPolarHBondContact CB-O 3.39Å; P691-C797 WeakPolarHBondContact CA-O 3.5Å; P691-C797 HydrophobicContact CB-CB 4.2Å; P691-C797 WeakPolarHBondContact CB-O 3.4Å; P691-F799 HydrophobicContact CB-CD2 3.82Å; P691-F799 HydrophobicContact CB-CE2 3.79Å; P691-F799 HydrophobicContact CG-CD2 4.12Å; P691-F799 HydrophobicContact CG-CE2 3.87Å
692L93.2Very high87.6Confident8 Ų844.3 Ų44.34%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-81.5128.1169.4176.564.5000110.6A678 L679 H682 L694 C797 V798 F799 D859A678-L692 HydrophobicContact CB-CD1 4.43Å; L679-L692 HydrophobicContact CD2-CD2 3.75Å; L679-L692 HydrophobicContact CG-CD2 4.38Å; H682-L692 HydrophobicContact CB-CB 4.22Å; H682-L692 HydrophobicContact CB-CD2 4.02Å; L692-L694 HydrophobicContact CD1-CD2 3.96Å; L692-L694 HydrophobicContact CD1-CG 4.49Å; L692-L694 HydrophobicContact CD2-CD1 4.31Å; L692-L694 HydrophobicContact CD2-CD2 4.28Å; L692-L694 HydrophobicContact CD2-CG 4.23Å; L692-L694 HydrophobicContact CG-CD2 4.12Å; L692-L694 HydrophobicContact CG-CG 4.12Å; L692-C797 PolarHBondContact N-O 3.44Å; L692-V798 HydrophobicContact CB-CG1 4.48Å; L692-V798 HydrophobicContact CB-CG2 4.43Å; L692-V798 HydrophobicContact CD2-CG1 4.22Å; L692-V798 HydrophobicContact CG-CG1 4.47Å; L692-F799 PolarHBondContact O-N 2.99Å; L692-D859 HydrophobicContact CD1-CB 4.23Å
693V93.9Very high87.5Confident0 Ų044.2 Ų44.20%024%0.241CC..EExtended strand (participates in β ladder)trans-120.3108.6178.3-173.50000111.1M783 F799 F801 L857 I858 D859 H860V693-M783 HydrophobicContact CG1-SD 4.2Å; V693-M783 HydrophobicContact CG2-CB 4.24Å; V693-M783 HydrophobicContact CG2-CG 3.89Å; V693-M783 HydrophobicContact CG2-SD 3.93Å; V693-F799 HydrophobicContact CG1-CB 4.33Å; V693-F799 HydrophobicContact CG2-CB 4.27Å; V693-F801 HydrophobicContact CG1-CD2 3.9Å; V693-F801 HydrophobicContact CG1-CE2 3.62Å; V693-L857 WeakPolarHBondContact CB-O 3.17Å; V693-L857 WeakPolarHBondContact CG2-O 3.17Å; V693-I858 HydrophobicContact CG1-CB 4.34Å; V693-I858 HydrophobicContact CG1-CG1 4.05Å; V693-D859 PolarHBondContact N-OD2 3.11Å; V693-D859 WeakPolarHBondContact O-CB 3.33Å; V693-D859 PolarHBondContact O-N 3.2Å; V693-H860 PolarHBondContact O-N 2.77Å
694L94.5Very high87.8Confident1 Ų142.4 Ų42.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-103.3139.9176.5-56.3179.7000110.6A678 L692 F696 F799 V800 F801 H860A678-L694 HydrophobicContact CB-CD2 3.96Å; L692-L694 HydrophobicContact CD1-CD2 3.96Å; L692-L694 HydrophobicContact CD1-CG 4.49Å; L692-L694 HydrophobicContact CD2-CD1 4.31Å; L692-L694 HydrophobicContact CD2-CD2 4.28Å; L692-L694 HydrophobicContact CD2-CG 4.23Å; L692-L694 HydrophobicContact CG-CD2 4.12Å; L692-L694 HydrophobicContact CG-CG 4.12Å; L694-F696 HydrophobicContact CB-CD1 4.36Å; L694-F696 HydrophobicContact CB-CE1 3.9Å; L694-F696 HydrophobicContact CD1-CE1 4.14Å; L694-F696 HydrophobicContact CD1-CZ 4.5Å; L694-F799 PolarHBondContact N-O 3.21Å; L694-V800 HydrophobicContact CB-CG2 4.48Å; L694-V800 WeakPolarHBondContact O-CA 3.36Å; L694-F801 PolarHBondContact O-N 3.34Å; L694-H860 HydrophobicContact CD2-CB 3.93Å
695S93.2Very high88.1Confident0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-128.6112.7175.2-162.80000111.5H697 F801 H860 V862S695-H697 WeakPolarHBondContact CB-NE2 3.07Å; S695-H697 PolarHBondContact O-CD2 2.95Å; S695-H697 PolarHBondContact OG-CE1 3.04Å; S695-H697 PolarHBondContact OG-NE2 3.38Å; S695-F801 CarbonylContact C-O 3.6Å; S695-F801 WeakPolarHBondContact CA-O 3.44Å; S695-H860 PolarHBondContact N-O 3.09Å; S695-V862 PolarHBondContact O-N 3.5Å
696F95Very high88.6Confident1 Ų138.5 Ų38.50%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-96.7117.7-174.5-66.36.3000110.2V675 L694 K704 V707 V800 F801 L802 S803 V862 F864V675-F696 HydrophobicContact CG2-CE1 3.83Å; V675-F696 HydrophobicContact CG2-CZ 3.79Å; L694-F696 HydrophobicContact CB-CD1 4.36Å; L694-F696 HydrophobicContact CB-CE1 3.9Å; L694-F696 HydrophobicContact CD1-CE1 4.14Å; L694-F696 HydrophobicContact CD1-CZ 4.5Å; F696-K704 HydrophobicContact CB-CD 4.28Å; F696-K704 HydrophobicContact CB-CG 4.41Å; F696-K704 WeakPolarHBondContact O-CD 3.43Å; F696-V707 HydrophobicContact CE2-CB 4.26Å; F696-V707 HydrophobicContact CE2-CG1 3.84Å; F696-V707 HydrophobicContact CZ-CG1 4.18Å; F696-V800 HydrophobicContact CD1-CG1 4.49Å; F696-V800 HydrophobicContact CD2-CG1 4.31Å; F696-V800 HydrophobicContact CE1-CG1 4.34Å; F696-V800 HydrophobicContact CE2-CG1 4.12Å; F696-V800 HydrophobicContact CG-CG1 4.49Å; F696-V800 HydrophobicContact CZ-CG1 4.15Å; F696-F801 PolarHBondContact N-O 3.41Å; F696-L802 HydrophobicContact CB-CD2 3.64Å; F696-L802 HydrophobicContact CD2-CD2 3.35Å; F696-L802 HydrophobicContact CE2-CD2 4.17Å; F696-L802 HydrophobicContact CG-CD2 3.69Å; F696-S803 PolarHBondContact O-N 3.47Å; F696-V862 HydrophobicContact CD1-CB 3.61Å; F696-V862 HydrophobicContact CD1-CG1 4.01Å; F696-V862 HydrophobicContact CD1-CG2 3.84Å; F696-V862 HydrophobicContact CE1-CB 4.05Å; F696-V862 HydrophobicContact CE1-CG1 4.19Å; F696-V862 HydrophobicContact CE1-CG2 3.88Å; F696-V862 HydrophobicContact CG-CB 4.41Å; F696-F864 HydrophobicContact CB-CD2 4.18Å; F696-F864 HydrophobicContact CB-CE2 3.63Å; F696-F864 HydrophobicContact CD1-CE2 4.33Å; F696-F864 AromaticContact CD2-CE2 3.64Å; F696-F864 HydrophobicContact CD2-CE2 3.64Å; F696-F864 AromaticContact CD2-CZ 3.77Å; F696-F864 HydrophobicContact CD2-CZ 3.77Å; F696-F864 HydrophobicContact CE2-CE2 4.38Å; F696-F864 HydrophobicContact CE2-CZ 4.21Å; F696-F864 AromaticContact CG-CE2 3.62Å; F696-F864 HydrophobicContact CG-CE2 3.62Å; F696-F864 HydrophobicContact CG-CZ 4.24Å
697H92.6Very high89.7Confident0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-123.1143.7-177.6-60.4-82.5000111.4S695 A806 I810 I836 F861 V862 F864S695-H697 WeakPolarHBondContact CB-NE2 3.07Å; S695-H697 PolarHBondContact O-CD2 2.95Å; S695-H697 PolarHBondContact OG-CE1 3.04Å; S695-H697 PolarHBondContact OG-NE2 3.38Å; H697-A806 HydrophobicContact CB-CB 4.25Å; H697-I810 HydrophobicContact CB-CD1 4.09Å; H697-I836 HydrophobicContact CB-CD1 4.24Å; H697-I836 HydrophobicContact CB-CG2 4.22Å; H697-F861 AromaticContact CD2-CD1 3.85Å; H697-F861 AromaticContact NE2-CD1 3.56Å; H697-F861 AromaticContact NE2-CE1 3.95Å; H697-V862 PolarHBondContact N-O 2.96Å; H697-F864 PolarHBondContact O-N 3.03Å
698G90.7Very high90.4Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans159.8178.3175.900000112.3K704 S803G698-K704 PolarHBondContact O-NZ 3.07Å; G698-S803 PolarHBondContact N-O 2.71Å
699W88.6Confident90.9Very high98 Ų9828.5 Ų28.537%0.37115%0.145SC..SBendtrans-65.4168.5-179.3-157.6-101.6000113K704 S913W699-K704 PolarHBondContact O-NZ 3.05Å; W699-S913 PolarHBondContact NE1-O 2.66Å
700T86.2Confident91.5Very high63 Ų6321.5 Ų21.539%0.38712%0.115SC..THydrogen-bonded Turntrans-64.6142.9174.669.10000110.7G702T700-G702 PolarHBondContact O-N 3Å; T700-G702 VanDerWaalsContact O-N 3.14Å
701G84.9Confident91.8Very high23 Ų2321 Ų2124%0.23711%0.113CC..THydrogen-bonded Turntrans70.52.2179.800000116.6G703 T914 C916G701-G703 PolarHBondContact O-N 2.7Å; G701-T914 WeakPolarHBondContact CA-O 3.46Å; G701-C916 PolarHBondContact O-N 3.39Å
702G87.3Confident92Very high8 Ų821 Ų218%0.08211%0.112CC..SBendtrans-68.5-11.1178.200000115.5Q668 T700 F864Q668-G702 PolarHBondContact NE2-O 3.07Å; T700-G702 PolarHBondContact O-N 3Å; T700-G702 VanDerWaalsContact O-N 3.14Å; G702-F864 WeakPolarHBondContact O-CD1 3.05Å
703G90.8Very high92Very high18 Ų1825.3 Ų25.319%0.18613%0.128CC..SBendtrans116.64174.400000116.6G701 N705 Y706 V707 F864G701-G703 PolarHBondContact O-N 2.7Å; G703-N705 PolarHBondContact O-N 3.1Å; G703-Y706 WeakPolarHBondContact O-CA 3.43Å; G703-Y706 WeakPolarHBondContact O-CB 3.4Å; G703-Y706 PolarHBondContact O-N 2.96Å; G703-V707 PolarHBondContact O-N 2.89Å; G703-F864 VanDerWaalsContact C-CE1 3.45Å
704K93.2Very high91.9Very high15 Ų1526.4 Ų26.47%0.06513%0.133CC..Hα-helixtrans-47.1-66.4-176.6-61.6-166.9-67.3-89.20113.5F696 G698 W699 Y706 V707 T708 S803 N804 F864F696-K704 HydrophobicContact CB-CD 4.28Å; F696-K704 HydrophobicContact CB-CG 4.41Å; F696-K704 WeakPolarHBondContact O-CD 3.43Å; G698-K704 PolarHBondContact O-NZ 3.07Å; W699-K704 PolarHBondContact O-NZ 3.05Å; K704-Y706 PolarHBondContact O-N 2.91Å; K704-V707 PolarHBondContact O-N 3.07Å; K704-T708 PolarHBondContact O-N 2.95Å; K704-T708 VanDerWaalsContact O-N 3.1Å; K704-T708 PolarHBondContact O-OG1 2.7Å; K704-T708 VanDerWaalsContact O-OG1 3.06Å; K704-S803 WeakPolarHBondContact CD-O 3.49Å; K704-S803 WeakPolarHBondContact CE-O 3.42Å; K704-S803 PolarHBondContact NZ-O 2.96Å; K704-S803 VanDerWaalsContact NZ-O 3.15Å; K704-N804 PolarHBondContact NZ-OD1 3.1Å; K704-F864 HydrophobicContact CG-CB 4.41Å; K704-F864 HydrophobicContact CG-CD1 4.15Å; K704-F864 HydrophobicContact CG-CD2 3.83Å; K704-F864 HydrophobicContact CG-CE1 4.37Å; K704-F864 HydrophobicContact CG-CE2 4.09Å; K704-F864 HydrophobicContact CG-CG 3.86Å; K704-F864 HydrophobicContact CG-CZ 4.34Å
705N92.4Very high91.8Very high73 Ų7326.5 Ų26.539%0.3913%0.134SC..Hα-helixtrans-59.4-30177-83.2-27.8000113.9G703 T708 S709 D766 L802G703-N705 PolarHBondContact O-N 3.1Å; N705-T708 PolarHBondContact O-N 2.54Å; N705-S709 PolarHBondContact O-N 3.19Å; N705-D766 PolarHBondContact ND2-OD2 2.88Å; N705-D766 PolarHBondContact OD1-OD2 3.21Å; N705-L802 WeakPolarHBondContact OD1-CD1 3.48Å
706Y92.3Very high91.7Very high106 Ų10626.8 Ų26.842%0.41614%0.135SC..Hα-helixtrans-68.5-45.3178.8-166.1-127.3000111R664 V665 G703 K704 S709 F710R664-Y706 HydrophobicContact CB-CE1 4.42Å; V665-Y706 HydrophobicContact CG2-CD1 4.42Å; G703-Y706 WeakPolarHBondContact O-CA 3.43Å; G703-Y706 WeakPolarHBondContact O-CB 3.4Å; G703-Y706 PolarHBondContact O-N 2.96Å; K704-Y706 PolarHBondContact O-N 2.91Å; Y706-S709 WeakPolarHBondContact O-CB 3.3Å; Y706-S709 PolarHBondContact O-N 3.28Å; Y706-S709 PolarHBondContact O-OG 3.35Å; Y706-F710 AromaticContact CD1-CE2 3.48Å; Y706-F710 HydrophobicContact CD1-CE2 3.48Å; Y706-F710 VanDerWaalsContact CD1-CE2 3.48Å; Y706-F710 HydrophobicContact CD1-CZ 4.04Å; Y706-F710 HydrophobicContact CD2-CE2 4.28Å; Y706-F710 HydrophobicContact CD2-CZ 4.44Å; Y706-F710 AromaticContact CE1-CE2 3.38Å; Y706-F710 HydrophobicContact CE1-CE2 3.38Å; Y706-F710 AromaticContact CE1-CZ 3.46Å; Y706-F710 HydrophobicContact CE1-CZ 3.46Å; Y706-F710 VanDerWaalsContact CE1-CZ 3.46Å; Y706-F710 HydrophobicContact CE2-CE2 4.2Å; Y706-F710 AromaticContact CE2-CZ 3.93Å; Y706-F710 HydrophobicContact CE2-CZ 3.93Å; Y706-F710 AromaticContact CG-CE2 3.94Å; Y706-F710 HydrophobicContact CG-CE2 3.94Å; Y706-F710 HydrophobicContact CG-CZ 4.48Å; Y706-F710 AromaticContact CZ-CE2 3.76Å; Y706-F710 AromaticContact CZ-CZ 3.39Å; Y706-F710 WeakPolarHBondContact O-CD2 3.23Å; Y706-F710 PolarHBondContact O-N 2.94Å
707V94.7Very high91.2Very high0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-60.6-45.9172.4174.10000111.4L661 V665 V671 F696 G703 K704 S709 F710 V711 F864L661-V707 HydrophobicContact CD2-CG1 4.21Å; L661-V707 HydrophobicContact CD2-CG2 4.25Å; V665-V707 HydrophobicContact CG1-CG2 4.07Å; V665-V707 HydrophobicContact CG2-CG2 4.1Å; V671-V707 HydrophobicContact CG1-CG1 4Å; V671-V707 HydrophobicContact CG1-CG2 4.13Å; F696-V707 HydrophobicContact CE2-CB 4.26Å; F696-V707 HydrophobicContact CE2-CG1 3.84Å; F696-V707 HydrophobicContact CZ-CG1 4.18Å; G703-V707 PolarHBondContact O-N 2.89Å; K704-V707 PolarHBondContact O-N 3.07Å; V707-S709 PolarHBondContact O-N 3.35Å; V707-F710 PolarHBondContact O-N 3.48Å; V707-V711 HydrophobicContact CG1-CG2 4.45Å; V707-V711 WeakPolarHBondContact O-CG2 3.42Å; V707-V711 PolarHBondContact O-N 2.7Å; V707-F864 HydrophobicContact CB-CE1 4.21Å; V707-F864 HydrophobicContact CB-CZ 3.95Å; V707-F864 HydrophobicContact CG1-CZ 4.34Å; V707-F864 HydrophobicContact CG2-CE1 3.68Å; V707-F864 HydrophobicContact CG2-CZ 3.87Å
708T93.7Very high90.8Very high5 Ų538.3 Ų38.33%0.03119%0.185CC..Hα-helixtrans-57.6-37.8175.8-47.10000112.1K704 N705 F710 V711 A712 I764 V800K704-T708 PolarHBondContact O-N 2.95Å; K704-T708 VanDerWaalsContact O-N 3.1Å; K704-T708 PolarHBondContact O-OG1 2.7Å; K704-T708 VanDerWaalsContact O-OG1 3.06Å; N705-T708 PolarHBondContact O-N 2.54Å; T708-F710 VanDerWaalsContact C-N 3.35Å; T708-F710 PolarHBondContact O-N 3.48Å; T708-V711 PolarHBondContact O-N 3.27Å; T708-A712 PolarHBondContact O-N 2.83Å; T708-I764 HydrophobicContact CG2-CB 4.46Å; T708-I764 HydrophobicContact CG2-CD1 3.49Å; T708-I764 VanDerWaalsContact CG2-CD1 3.49Å; T708-I764 HydrophobicContact CG2-CG1 3.69Å; T708-I764 HydrophobicContact CG2-CG2 3.9Å; T708-V800 HydrophobicContact CG2-CG1 4.42Å
709S93.3Very high90.7Very high18 Ų1838.4 Ų38.413%0.12619%0.186CC..Hα-helixtrans-64.4-34.7175.488.90000113.6N705 Y706 V707 R713N705-S709 PolarHBondContact O-N 3.19Å; Y706-S709 WeakPolarHBondContact O-CB 3.3Å; Y706-S709 PolarHBondContact O-N 3.28Å; Y706-S709 PolarHBondContact O-OG 3.35Å; V707-S709 PolarHBondContact O-N 3.35Å; S709-R713 WeakPolarHBondContact O-CB 3.4Å; S709-R713 WeakPolarHBondContact O-CG 3.47Å; S709-R713 PolarHBondContact O-N 2.04Å; S709-R713 PolarHBondContact O-NE 3.22Å; S709-R713 VanDerWaalsContact O-NE 3.1Å; S709-R713 PolarHBondContact OG-NH2 2.97Å
710F93.7Very high90.7Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-72.4-41.6175.1-65.6-65.2000111L657 E660 L661 R664 V665 Y706 V707 T708 R713 H714L657-F710 HydrophobicContact CD1-CB 3.83Å; E660-F710 HydrophobicContact CB-CD1 4.43Å; E660-F710 HydrophobicContact CG-CD1 3.79Å; E660-F710 HydrophobicContact CG-CE1 3.62Å; E660-F710 HydrophobicContact CG-CZ 4.5Å; E660-F710 WeakPolarHBondContact OE1-CE1 3.25Å; E660-F710 VanDerWaalsContact OE2-CD1 3.31Å; E660-F710 WeakPolarHBondContact OE2-CD1 3.47Å; L661-F710 HydrophobicContact CD2-CB 3.99Å; L661-F710 HydrophobicContact CD2-CD2 3.65Å; L661-F710 HydrophobicContact CD2-CE2 4.45Å; L661-F710 HydrophobicContact CD2-CG 4.08Å; R664-F710 HydrophobicContact CB-CE1 4.45Å; R664-F710 HydrophobicContact CB-CE2 4.45Å; R664-F710 HydrophobicContact CB-CZ 3.76Å; R664-F710 HydrophobicContact CG-CZ 4.5Å; V665-F710 HydrophobicContact CG2-CD2 4.07Å; V665-F710 HydrophobicContact CG2-CE2 3.65Å; Y706-F710 AromaticContact CD1-CE2 3.48Å; Y706-F710 HydrophobicContact CD1-CE2 3.48Å; Y706-F710 VanDerWaalsContact CD1-CE2 3.48Å; Y706-F710 HydrophobicContact CD1-CZ 4.04Å; Y706-F710 HydrophobicContact CD2-CE2 4.28Å; Y706-F710 HydrophobicContact CD2-CZ 4.44Å; Y706-F710 AromaticContact CE1-CE2 3.38Å; Y706-F710 HydrophobicContact CE1-CE2 3.38Å; Y706-F710 AromaticContact CE1-CZ 3.46Å; Y706-F710 HydrophobicContact CE1-CZ 3.46Å; Y706-F710 VanDerWaalsContact CE1-CZ 3.46Å; Y706-F710 HydrophobicContact CE2-CE2 4.2Å; Y706-F710 AromaticContact CE2-CZ 3.93Å; Y706-F710 HydrophobicContact CE2-CZ 3.93Å; Y706-F710 AromaticContact CG-CE2 3.94Å; Y706-F710 HydrophobicContact CG-CE2 3.94Å; Y706-F710 HydrophobicContact CG-CZ 4.48Å; Y706-F710 AromaticContact CZ-CE2 3.76Å; Y706-F710 AromaticContact CZ-CZ 3.39Å; Y706-F710 WeakPolarHBondContact O-CD2 3.23Å; Y706-F710 PolarHBondContact O-N 2.94Å; V707-F710 PolarHBondContact O-N 3.48Å; T708-F710 VanDerWaalsContact C-N 3.35Å; T708-F710 PolarHBondContact O-N 3.48Å; F710-R713 VanDerWaalsContact CD1-CZ 3.43Å; F710-R713 PolarHBondContact O-N 2.84Å; F710-H714 PolarHBondContact O-N 2.91Å; F710-H714 VanDerWaalsContact O-N 3.08Å; F710-H714 PolarHBondContact O-ND1 3.31Å
711V94.2Very high90.8Very high3 Ų342.4 Ų42.42%0.01821%0.207CC..Hα-helixtrans-58.1-51.8176.1173.20000109.7L657 V675 L679 V707 T708 R713 H714 L715L657-V711 HydrophobicContact CD1-CG2 4.39Å; L657-V711 HydrophobicContact CD2-CG2 4.35Å; V675-V711 HydrophobicContact CG1-CG2 3.83Å; L679-V711 HydrophobicContact CD1-CG1 4.08Å; L679-V711 HydrophobicContact CD1-CG2 4.31Å; V707-V711 HydrophobicContact CG1-CG2 4.45Å; V707-V711 WeakPolarHBondContact O-CG2 3.42Å; V707-V711 PolarHBondContact O-N 2.7Å; T708-V711 PolarHBondContact O-N 3.27Å; V711-R713 PolarHBondContact O-N 3.37Å; V711-H714 PolarHBondContact O-N 3.4Å; V711-L715 HydrophobicContact CG1-CD1 3.68Å; V711-L715 HydrophobicContact CG1-CG 4.35Å; V711-L715 WeakPolarHBondContact O-CG 3.36Å; V711-L715 PolarHBondContact O-N 3.44Å; V711-L715 VanDerWaalsContact O-N 3.1Å
712A93.6Very high90.9Very high0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-57.7-44.8177.500000112.5T708 H714 L715 Y716 L720 V725 L762T708-A712 PolarHBondContact O-N 2.83Å; A712-H714 VanDerWaalsContact C-N 3.29Å; A712-H714 PolarHBondContact O-N 3.01Å; A712-L715 PolarHBondContact O-N 2.91Å; A712-Y716 PolarHBondContact O-N 3.31Å; A712-L720 HydrophobicContact CB-CD2 3.64Å; A712-L720 HydrophobicContact CB-CG 4.08Å; A712-V725 HydrophobicContact CB-CG1 4.45Å; A712-V725 HydrophobicContact CB-CG2 4.48Å; A712-L762 HydrophobicContact CB-CD2 4.09Å
713R92.4Very high90.9Very high100 Ų10048.6 Ų48.638%0.37722%0.221SC..Hα-helixtrans-65.5-23.7179.4-80.7-178.2-75.9133.4-11.5115.1E660 S709 F710 V711E660-R713 IonicContact OE1-NH1 2.7Å; E660-R713 PolarHBondContact OE1-NH1 3.11Å; E660-R713 VanDerWaalsContact OE1-NH1 3.07Å; E660-R713 IonicContact OE2-NH1 3.03Å; E660-R713 PolarHBondContact OE2-NH1 3.31Å; S709-R713 WeakPolarHBondContact O-CB 3.4Å; S709-R713 WeakPolarHBondContact O-CG 3.47Å; S709-R713 PolarHBondContact O-N 2.04Å; S709-R713 PolarHBondContact O-NE 3.22Å; S709-R713 VanDerWaalsContact O-NE 3.1Å; S709-R713 PolarHBondContact OG-NH2 2.97Å; F710-R713 VanDerWaalsContact CD1-CZ 3.43Å; F710-R713 PolarHBondContact O-N 2.84Å; V711-R713 PolarHBondContact O-N 3.37Å
714H93Very high90.8Very high23 Ų2348.3 Ų48.311%0.10621%0.214CC..Hα-helixtrans-103.33.6177.5-67.495.3000114K651 D653 G656 L657 E660 F710 V711 A712K651-H714 CarbonylContact O-C 3.43Å; D653-H714 PolarHBondContact N-O 3.04Å; D653-H714 PolarHBondContact O-CD2 3.49Å; G656-H714 VanDerWaalsContact C-CD2 3.5Å; L657-H714 HydrophobicContact CB-CB 3.79Å; L657-H714 HydrophobicContact CD1-CB 4.17Å; L657-H714 HydrophobicContact CG-CB 4.4Å; L657-H714 PolarHBondContact N-CD2 2.77Å; L657-H714 PolarHBondContact N-NE2 2.79Å; E660-H714 IonicContact OE2-CE1 3.22Å; E660-H714 PolarHBondContact OE2-CE1 2.81Å; E660-H714 IonicContact OE2-NE2 2.79Å; F710-H714 PolarHBondContact O-N 2.91Å; F710-H714 VanDerWaalsContact O-N 3.08Å; F710-H714 PolarHBondContact O-ND1 3.31Å; V711-H714 PolarHBondContact O-N 3.4Å; A712-H714 VanDerWaalsContact C-N 3.29Å; A712-H714 PolarHBondContact O-N 3.01Å
715L91.6Very high90.8Very high2 Ų248.2 Ų48.21%0.0122%0.215CC..Hα-helixtrans-109-32.7168.7-63.8179.5000111.2I650 K651 I652 L679 F683 V711 A712I650-L715 CarbonylContact C-O 3.6Å; I650-L715 VanDerWaalsContact C-O 3.26Å; I650-L715 VanDerWaalsContact CA-O 3.26Å; I650-L715 WeakPolarHBondContact CA-O 3.5Å; I650-L715 WeakPolarHBondContact CG2-O 3.41Å; K651-L715 PolarHBondContact N-O 3.48Å; I652-L715 HydrophobicContact CB-CD2 4.42Å; I652-L715 HydrophobicContact CG1-CD2 4.22Å; I652-L715 HydrophobicContact CG2-CD2 3.97Å; L679-L715 HydrophobicContact CD2-CD1 4.37Å; F683-L715 HydrophobicContact CD2-CD2 4.45Å; F683-L715 HydrophobicContact CE2-CD1 4.46Å; F683-L715 HydrophobicContact CE2-CD2 3.58Å; F683-L715 HydrophobicContact CZ-CD2 4.02Å; V711-L715 HydrophobicContact CG1-CD1 3.68Å; V711-L715 HydrophobicContact CG1-CG 4.35Å; V711-L715 WeakPolarHBondContact O-CG 3.36Å; V711-L715 PolarHBondContact O-N 3.44Å; V711-L715 VanDerWaalsContact O-N 3.1Å; A712-L715 PolarHBondContact O-N 2.91Å
716Y91.6Very high90.9Very high6 Ų645.6 Ų45.62%0.02420%0.2CC..SBendtrans-130.7135.8-176.2-50.2-86.8000111.4I650 A712 K718 G719 V725 R760 L762I650-Y716 HydrophobicContact CD1-CE1 4.32Å; I650-Y716 HydrophobicContact CG1-CD1 4.12Å; I650-Y716 HydrophobicContact CG1-CE1 4.2Å; I650-Y716 HydrophobicContact CG2-CD1 4.31Å; I650-Y716 HydrophobicContact CG2-CE1 4.09Å; A712-Y716 PolarHBondContact O-N 3.31Å; Y716-K718 VanDerWaalsContact C-N 3.26Å; Y716-K718 PolarHBondContact O-N 3.49Å; Y716-K718 VanDerWaalsContact O-N 3.17Å; Y716-G719 PolarHBondContact O-N 3.39Å; Y716-V725 HydrophobicContact CD1-CG2 4.43Å; Y716-V725 HydrophobicContact CD2-CG2 3.26Å; Y716-V725 HydrophobicContact CE2-CG2 3.52Å; Y716-V725 HydrophobicContact CG-CG2 3.79Å; Y716-R760 PolarHBondContact OH-O 2.98Å; Y716-L762 HydrophobicContact CE2-CB 3.62Å; Y716-L762 HydrophobicContact CE2-CD2 3.91Å; Y716-L762 HydrophobicContact CE2-CG 4.41Å; Y716-L762 WeakPolarHBondContact OH-CB 3.3Å; Y716-L762 PolarHBondContact OH-N 2.97Å
717K83.8Confident90.9Very high140 Ų14044.9 Ų44.961%0.60920%0.201SC*.THydrogen-bonded Turntrans-57.6-31.3-176.9-171.5176.6179.2-178.70114.5Y649Y649-K717 HydrophobicContact CD1-CB 4.43Å; Y649-K717 HydrophobicContact CD1-CD 4.09Å; Y649-K717 HydrophobicContact CE1-CD 4.08Å; Y649-K717 PolarHBondContact O-N 3.02Å
718K85.1Confident90.9Very high104 Ų10445.7 Ų45.745%0.45220%0.204SC..THydrogen-bonded Turntrans-96.65174.1-62.1-169.6-162.3162.70114.3E643 Y716 L720 Q721E643-K718 VanDerWaalsContact CD-CD 3.48Å; E643-K718 VanDerWaalsContact CD-CE 3.43Å; E643-K718 HydrophobicContact CG-CD 4.14Å; E643-K718 WeakPolarHBondContact OE1-CD 3.37Å; E643-K718 WeakPolarHBondContact OE1-CG 3.39Å; E643-K718 IonicContact OE2-NZ 2.62Å; E643-K718 PolarHBondContact OE2-NZ 2.85Å; Y716-K718 VanDerWaalsContact C-N 3.26Å; Y716-K718 PolarHBondContact O-N 3.49Å; Y716-K718 VanDerWaalsContact O-N 3.17Å; K718-L720 PolarHBondContact O-N 2.6Å; K718-Q721 HydrophobicContact CB-CB 4.36Å; K718-Q721 PolarHBondContact O-N 3.3Å; K718-Q721 VanDerWaalsContact O-N 3.12Å
719G88.8Confident90.8Very high2 Ų246.4 Ų46.42%0.02121%0.209CC..G310 helixtrans54.8-130.5-177.100000112.9Y716 Q721 S722 V725Y716-G719 PolarHBondContact O-N 3.39Å; G719-Q721 PolarHBondContact O-N 3.24Å; G719-Q721 VanDerWaalsContact O-N 3.14Å; G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.27Å; G719-S722 PolarHBondContact O-N 2.96Å; G719-V725 WeakPolarHBondContact O-CG2 3.43Å
720L88.7Confident90.5Very high75 Ų7545.5 Ų45.539%0.39320%0.203SC..G310 helixtrans-63.9-13.2179.4-64.4174.3000114.5A712 K718 V725 I764A712-L720 HydrophobicContact CB-CD2 3.64Å; A712-L720 HydrophobicContact CB-CG 4.08Å; K718-L720 PolarHBondContact O-N 2.6Å; L720-V725 HydrophobicContact CD2-CG1 4.12Å; L720-I764 HydrophobicContact CD2-CD1 3.95Å
721Q86.7Confident90.2Very high170 Ų17048.4 Ų48.479%0.79422%0.223SC*.G310 helixtrans-93.65.3175.4-65.2-177-19.900113.1K718 G719K718-Q721 HydrophobicContact CB-CB 4.36Å; K718-Q721 PolarHBondContact O-N 3.3Å; K718-Q721 VanDerWaalsContact O-N 3.12Å; G719-Q721 PolarHBondContact O-N 3.24Å; G719-Q721 VanDerWaalsContact O-N 3.14Å
722S88.5Confident89.9Confident4 Ų454.3 Ų54.33%0.02825%0.254CS..SBendtrans-72.3139.6176-170.20000111.3E643 G719 Y724 V725E643-S722 WeakPolarHBondContact OE1-CA 3.47Å; E643-S722 WeakPolarHBondContact OE1-CB 3.23Å; E643-S722 PolarHBondContact OE1-OG 3.42Å; E643-S722 WeakPolarHBondContact OE2-CA 3.15Å; G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.27Å; G719-S722 PolarHBondContact O-N 2.96Å; S722-Y724 PolarHBondContact O-N 3.47Å; S722-V725 PolarHBondContact O-N 3.4Å
723R86Confident89.7Confident156 Ų15658 Ų5859%0.58927%0.271SS*.THydrogen-bonded Turntrans-57.7-21.4175.3-172.5175.4177.7-172-1.2113.7E643 H726E643-R723 PolarHBondContact OE2-N 2.82Å; R723-H726 PolarHBondContact O-CE1 2.77Å
724Y89.8Confident89.6Confident13 Ų1353.8 Ų53.85%0.05126%0.256CS..THydrogen-bonded Turntrans-964.2-179.8-48.9-57.6000113.8E643 C644 C645 S722 I757 C758 S761 L762E643-Y724 HydrophobicContact CB-CE2 4.06Å; E643-Y724 PolarHBondContact O-OH 3.3Å; E643-Y724 VanDerWaalsContact O-OH 3.04Å; C644-Y724 VanDerWaalsContact CA-OH 3.23Å; C644-Y724 WeakPolarHBondContact CA-OH 3.37Å; C644-Y724 WeakPolarHBondContact O-CE2 3.38Å; C645-Y724 HydrophobicContact CB-CE1 4.47Å; C645-Y724 PolarHBondContact N-OH 2.75Å; S722-Y724 PolarHBondContact O-N 3.47Å; Y724-I757 HydrophobicContact CE1-CG2 4.26Å; Y724-C758 HydrophobicContact CD1-CB 3.34Å; Y724-C758 HydrophobicContact CE1-CB 3.45Å; Y724-C758 VanDerWaalsContact CE1-CB 3.45Å; Y724-C758 HydrophobicContact CG-CB 4.14Å; Y724-S761 WeakPolarHBondContact O-CA 3.44Å; Y724-L762 PolarHBondContact O-N 2.91Å
725V93Very high89.3Confident13 Ų1356.5 Ų56.58%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-107.3123.6173.8178.50000108.5A712 Y716 G719 L720 S722 L762 I764A712-V725 HydrophobicContact CB-CG1 4.45Å; A712-V725 HydrophobicContact CB-CG2 4.48Å; Y716-V725 HydrophobicContact CD1-CG2 4.43Å; Y716-V725 HydrophobicContact CD2-CG2 3.26Å; Y716-V725 HydrophobicContact CE2-CG2 3.52Å; Y716-V725 HydrophobicContact CG-CG2 3.79Å; G719-V725 WeakPolarHBondContact O-CG2 3.43Å; L720-V725 HydrophobicContact CD2-CG1 4.12Å; S722-V725 PolarHBondContact O-N 3.4Å; V725-L762 HydrophobicContact CG1-CD2 4.27Å; V725-L762 HydrophobicContact CG2-CB 4.3Å; V725-L762 HydrophobicContact CG2-CD2 4.24Å; V725-I764 HydrophobicContact CG1-CD1 3.83Å
726H94.1Very high89Confident17 Ų1760.1 Ų60.18%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-125103.4-168.5-62.5-43.8000109.7R723 W750 L762 F763 I764R723-H726 PolarHBondContact O-CE1 2.77Å; H726-W750 HydrophobicContact CB-CH2 3.68Å; H726-W750 HydrophobicContact CB-CZ3 3.8Å; H726-W750 AromaticContact CD2-CZ3 4Å; H726-W750 AromaticContact CE1-CH2 3.99Å; H726-W750 AromaticContact CG-CH2 3.48Å; H726-W750 VanDerWaalsContact CG-CH2 3.48Å; H726-W750 AromaticContact CG-CZ3 3.66Å; H726-W750 AromaticContact ND1-CH2 3.39Å; H726-W750 WeakPolarHBondContact ND1-CH2 3.37Å; H726-W750 AromaticContact ND1-CZ3 3.98Å; H726-L762 PolarHBondContact N-O 2.92Å; H726-F763 HydrophobicContact CB-CD1 3.83Å; H726-F763 HydrophobicContact CB-CE1 4.27Å; H726-F763 AromaticContact CD2-CD1 3.79Å; H726-F763 AromaticContact CD2-CE1 3.4Å; H726-F763 WeakPolarHBondContact CD2-CE1 3.45Å; H726-F763 AromaticContact CD2-CZ 3.96Å; H726-I764 PolarHBondContact O-N 3.03Å
727Q93.4Very high88.4Confident91 Ų9163.8 Ų63.843%0.42532%0.317SS..EExtended strand (participates in β ladder)trans-103.9116.6-179.1-174.2176.1-4.900111.7I764Q727-I764 WeakPolarHBondContact CA-O 3.48Å; Q727-I764 HydrophobicContact CB-CB 4.37Å; Q727-I764 HydrophobicContact CG-CB 4.32Å; Q727-I764 HydrophobicContact CG-CG2 4.15Å
728F93Very high88.3Confident18 Ų1863.7 Ų63.78%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-99.2148.7167.8-64.5-81.1000110.1H733 F734 L747 W750 I764 F765 D766F728-H733 HydrophobicContact CD1-CB 4.42Å; F728-H733 AromaticContact CD1-CD2 3.85Å; F728-F734 HydrophobicContact CB-CE2 4.38Å; F728-F734 HydrophobicContact CD1-CZ 4.24Å; F728-L747 HydrophobicContact CD1-CD1 4.37Å; F728-L747 HydrophobicContact CD2-CD1 4.44Å; F728-L747 HydrophobicContact CE1-CD1 3.86Å; F728-L747 HydrophobicContact CE2-CD1 3.93Å; F728-L747 HydrophobicContact CZ-CD1 3.61Å; F728-W750 HydrophobicContact CE2-CE3 4.15Å; F728-W750 HydrophobicContact CE2-CH2 4.17Å; F728-W750 AromaticContact CE2-CZ3 3.69Å; F728-W750 HydrophobicContact CE2-CZ3 3.69Å; F728-W750 HydrophobicContact CZ-CD2 4.05Å; F728-W750 AromaticContact CZ-CE3 3.56Å; F728-W750 HydrophobicContact CZ-CE3 3.56Å; F728-W750 AromaticContact CZ-CH2 3.78Å; F728-W750 HydrophobicContact CZ-CH2 3.78Å; F728-W750 HydrophobicContact CZ-CZ2 4.27Å; F728-W750 AromaticContact CZ-CZ3 3.43Å; F728-W750 HydrophobicContact CZ-CZ3 3.43Å; F728-W750 VanDerWaalsContact CZ-CZ3 3.43Å; F728-I764 PolarHBondContact N-O 3.21Å; F728-F765 HydrophobicContact CB-CD1 3.92Å; F728-F765 HydrophobicContact CB-CE1 4.28Å; F728-F765 HydrophobicContact CD2-CD1 4.04Å; F728-F765 AromaticContact CD2-CE1 3.61Å; F728-F765 HydrophobicContact CD2-CE1 3.61Å; F728-F765 AromaticContact CD2-CZ 4Å; F728-F765 HydrophobicContact CD2-CZ 4Å; F728-F765 HydrophobicContact CE2-CE1 4.22Å; F728-F765 HydrophobicContact CE2-CZ 4.33Å; F728-F765 HydrophobicContact CG-CD1 4.24Å; F728-F765 HydrophobicContact CG-CE1 4.08Å; F728-D766 PolarHBondContact O-N 2.98Å
729S91.6Very high88.2Confident19 Ų1961.8 Ų61.813%0.13331%0.31CS..EExtended strand (participates in β ladder)trans-125.7133.4169.8143.40000108.3S731 L732 H733 D766 E767S729-S731 PolarHBondContact O-N 2.85Å; S729-S731 PolarHBondContact OG-OG 3.44Å; S729-L732 PolarHBondContact O-N 3.46Å; S729-L732 PolarHBondContact OG-N 3.34Å; S729-H733 PolarHBondContact N-ND1 2.88Å; S729-H733 VanDerWaalsContact N-ND1 3.11Å; S729-H733 WeakPolarHBondContact O-CB 3.46Å; S729-H733 PolarHBondContact O-N 3Å; S729-H733 PolarHBondContact O-ND1 2.86Å; S729-D766 WeakPolarHBondContact CA-O 3.33Å; S729-E767 PolarHBondContact OG-OE2 3.33Å
730G87.2Confident87.7Confident0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-53.7-51.1179.500000112.7F734 D766G730-F734 PolarHBondContact O-N 3.31Å; G730-D766 PolarHBondContact N-O 3.13Å
731S87.2Confident87.3Confident61 Ų6167.2 Ų67.243%0.42733%0.331SS..Hα-helixtrans-67.7-39.4-178.862.60000113.8S729 E767S729-S731 PolarHBondContact O-N 2.85Å; S729-S731 PolarHBondContact OG-OG 3.44Å; S731-E767 WeakPolarHBondContact CB-OE2 3.2Å; S731-E767 PolarHBondContact N-OE2 3Å; S731-E767 PolarHBondContact OG-OE2 3.44Å
732L89.3Confident87.1Confident127 Ų12764.1 Ų64.167%0.66532%0.316SS*.Hα-helixtrans-82-41.4-173.9-179.462000113.4S729S729-L732 PolarHBondContact O-N 3.46Å; S729-L732 PolarHBondContact OG-N 3.34Å
733H89.4Confident87.1Confident77 Ų7764.9 Ų64.936%0.35632%0.319SS..Hα-helixtrans-95.1-22.6-171.4-63.575.7000113.1F728 S729F728-H733 HydrophobicContact CD1-CB 4.42Å; F728-H733 AromaticContact CD1-CD2 3.85Å; S729-H733 PolarHBondContact N-ND1 2.88Å; S729-H733 VanDerWaalsContact N-ND1 3.11Å; S729-H733 WeakPolarHBondContact O-CB 3.46Å; S729-H733 PolarHBondContact O-N 3Å; S729-H733 PolarHBondContact O-ND1 2.86Å
734F90.4Very high87.1Confident11 Ų1158.5 Ų58.55%0.04830%0.297CS..  trans-127.748.6-175.4-48.2-68.4000113.2F728 G730 E736 Y743 L747 M771 P772 V775F728-F734 HydrophobicContact CB-CE2 4.38Å; F728-F734 HydrophobicContact CD1-CZ 4.24Å; G730-F734 PolarHBondContact O-N 3.31Å; F734-E736 VanDerWaalsContact C-N 3.29Å; F734-E736 PolarHBondContact O-N 3.29Å; F734-Y743 HydrophobicContact CB-CD2 4.09Å; F734-Y743 HydrophobicContact CB-CE2 4.16Å; F734-Y743 HydrophobicContact CD1-CD1 4.23Å; F734-Y743 AromaticContact CD1-CD2 3.85Å; F734-Y743 HydrophobicContact CD1-CD2 3.85Å; F734-Y743 HydrophobicContact CD1-CE2 4.49Å; F734-Y743 AromaticContact CD1-CG 3.69Å; F734-Y743 HydrophobicContact CD1-CG 3.69Å; F734-Y743 HydrophobicContact CE1-CG 4.39Å; F734-Y743 HydrophobicContact CG-CD2 4.46Å; F734-L747 HydrophobicContact CZ-CD1 4.36Å; F734-L747 HydrophobicContact CZ-CD2 4.18Å; F734-M771 HydrophobicContact CD2-CE 4.14Å; F734-M771 HydrophobicContact CD2-CG 3.9Å; F734-M771 HydrophobicContact CD2-SD 4.13Å; F734-M771 HydrophobicContact CE2-CE 3.93Å; F734-M771 HydrophobicContact CE2-CG 4.42Å; F734-M771 HydrophobicContact CE2-SD 4.04Å; F734-P772 HydrophobicContact CB-CG 4.3Å; F734-V775 HydrophobicContact CD1-CG1 4.32Å; F734-V775 HydrophobicContact CE1-CG1 4.14Å; F734-V775 HydrophobicContact CZ-CG1 4.45Å
735P86.2Confident86.8Confident81 Ų8161.5 Ų61.553%0.52632%0.316SS..  trans-68.7-18.4-169.429.5-38.3000115.3P737P735-P737 WeakPolarHBondContact O-CD 3.49Å
736E84.9Confident86.5Confident77 Ų7766.4 Ų66.436%0.3634%0.338SS..  trans-115101.6-174.9-65.9172.2-108.100112F734 Q738 K739 Y743F734-E736 VanDerWaalsContact C-N 3.29Å; F734-E736 PolarHBondContact O-N 3.29Å; E736-Q738 PolarHBondContact O-N 3.48Å; E736-K739 HydrophobicContact CB-CB 4.35Å; E736-K739 HydrophobicContact CB-CD 4.19Å; E736-K739 HydrophobicContact CB-CG 4.27Å; E736-K739 PolarHBondContact O-N 3.42Å; E736-K739 IonicContact OE1-NZ 3.72Å; E736-K739 PolarHBondContact OE1-NZ 3.02Å; E736-K739 WeakPolarHBondContact OE2-CD 3.46Å; E736-K739 WeakPolarHBondContact OE2-CE 3.34Å; E736-K739 IonicContact OE2-NZ 3.96Å; E736-K739 PolarHBondContact OE2-NZ 3.46Å; E736-Y743 PolarHBondContact N-OH 3.16Å; E736-Y743 VanDerWaalsContact O-CE2 3.28Å; E736-Y743 WeakPolarHBondContact O-CE2 3.29Å
737P79.2Confident86.3Confident83 Ų8365.8 Ų65.854%0.53934%0.336SS..G310 helixtrans-56-25.8179.5-28.336.2000115.1P735 K739 S740 P772P735-P737 WeakPolarHBondContact O-CD 3.49Å; P737-K739 VanDerWaalsContact C-N 3.26Å; P737-K739 PolarHBondContact O-N 2.72Å; P737-S740 PolarHBondContact O-N 2.88Å; P737-P772 HydrophobicContact CB-CB 4.39Å; P737-P772 HydrophobicContact CB-CG 4.39Å
738Q81.2Confident86Confident139 Ų13964.4 Ų64.465%0.6533%0.329SS*.G310 helixtrans-68-24.3177.9-56.679.14.800112.6E736E736-Q738 PolarHBondContact O-N 3.48Å
739K82.7Confident85.5Confident64 Ų6467.7 Ų67.728%0.27835%0.351SS..G310 helixtrans-92.711.4-179.2-70.5-179.3-179.9159.10113.6E736 P737 R741 Q742 Y743E736-K739 HydrophobicContact CB-CB 4.35Å; E736-K739 HydrophobicContact CB-CD 4.19Å; E736-K739 HydrophobicContact CB-CG 4.27Å; E736-K739 PolarHBondContact O-N 3.42Å; E736-K739 IonicContact OE1-NZ 3.72Å; E736-K739 PolarHBondContact OE1-NZ 3.02Å; E736-K739 WeakPolarHBondContact OE2-CD 3.46Å; E736-K739 WeakPolarHBondContact OE2-CE 3.34Å; E736-K739 IonicContact OE2-NZ 3.96Å; E736-K739 PolarHBondContact OE2-NZ 3.46Å; P737-K739 VanDerWaalsContact C-N 3.26Å; P737-K739 PolarHBondContact O-N 2.72Å; K739-R741 VanDerWaalsContact C-N 3.31Å; K739-R741 PolarHBondContact O-N 3.22Å; K739-R741 VanDerWaalsContact O-N 3.13Å; K739-Q742 WeakPolarHBondContact O-CA 3.38Å; K739-Q742 WeakPolarHBondContact O-CB 3.34Å; K739-Q742 PolarHBondContact O-N 3.03Å; K739-Y743 HydrophobicContact CB-CD2 4.17Å; K739-Y743 HydrophobicContact CB-CE1 4.14Å; K739-Y743 HydrophobicContact CB-CE2 3.74Å; K739-Y743 PolarHBondContact O-N 3.49Å
740S80Confident85.3Confident36 Ų3671.9 Ų71.925%0.25236%0.364SS..Hα-helixtrans-42.4-53.2-177.359.70000113P737 Q742 Y743 T744P737-S740 PolarHBondContact O-N 2.88Å; S740-Q742 VanDerWaalsContact C-N 3.34Å; S740-Q742 PolarHBondContact O-N 2.7Å; S740-Y743 WeakPolarHBondContact O-CB 3.37Å; S740-Y743 PolarHBondContact O-N 2.91Å; S740-Y743 VanDerWaalsContact O-N 3.17Å; S740-T744 PolarHBondContact O-N 3.06Å; S740-T744 PolarHBondContact O-OG1 2.99Å
741R79.7Confident85.4Confident155 Ų15571.9 Ų71.959%0.58536%0.364SS*.Hα-helixtrans-59.1-37.3178.6-172.3179.7-179.6-157.4-0114.2L392 K739 V745L392-R741 VanDerWaalsContact CD1-NH1 3.27Å; K739-R741 VanDerWaalsContact C-N 3.31Å; K739-R741 PolarHBondContact O-N 3.22Å; K739-R741 VanDerWaalsContact O-N 3.13Å; R741-V745 WeakPolarHBondContact O-CG2 3.42Å; R741-V745 PolarHBondContact O-N 3.06Å
742Q83Confident85.3Confident105 Ų10574.1 Ų74.149%0.49136%0.363SS..Hα-helixtrans-69.2-44.5177.2-63.6-179.50.900110.3K739 S740 T744 V745 Q746K739-Q742 WeakPolarHBondContact O-CA 3.38Å; K739-Q742 WeakPolarHBondContact O-CB 3.34Å; K739-Q742 PolarHBondContact O-N 3.03Å; S740-Q742 VanDerWaalsContact C-N 3.34Å; S740-Q742 PolarHBondContact O-N 2.7Å; Q742-T744 VanDerWaalsContact C-N 3.33Å; Q742-T744 PolarHBondContact O-N 3.2Å; Q742-V745 PolarHBondContact O-N 3.02Å; Q742-Q746 WeakPolarHBondContact O-CB 3.3Å; Q742-Q746 WeakPolarHBondContact O-CG 3.46Å; Q742-Q746 PolarHBondContact O-N 2.91Å
743Y88.3Confident84.8Confident20 Ų2069.7 Ų69.78%0.07835%0.348CS..Hα-helixtrans-61.2-40.1175.1-60.7-33.6000112.2F734 E736 K739 S740 V745 Q746 L747F734-Y743 HydrophobicContact CB-CD2 4.09Å; F734-Y743 HydrophobicContact CB-CE2 4.16Å; F734-Y743 HydrophobicContact CD1-CD1 4.23Å; F734-Y743 AromaticContact CD1-CD2 3.85Å; F734-Y743 HydrophobicContact CD1-CD2 3.85Å; F734-Y743 HydrophobicContact CD1-CE2 4.49Å; F734-Y743 AromaticContact CD1-CG 3.69Å; F734-Y743 HydrophobicContact CD1-CG 3.69Å; F734-Y743 HydrophobicContact CE1-CG 4.39Å; F734-Y743 HydrophobicContact CG-CD2 4.46Å; E736-Y743 PolarHBondContact N-OH 3.16Å; E736-Y743 VanDerWaalsContact O-CE2 3.28Å; E736-Y743 WeakPolarHBondContact O-CE2 3.29Å; K739-Y743 HydrophobicContact CB-CD2 4.17Å; K739-Y743 HydrophobicContact CB-CE1 4.14Å; K739-Y743 HydrophobicContact CB-CE2 3.74Å; K739-Y743 PolarHBondContact O-N 3.49Å; S740-Y743 WeakPolarHBondContact O-CB 3.37Å; S740-Y743 PolarHBondContact O-N 2.91Å; S740-Y743 VanDerWaalsContact O-N 3.17Å; Y743-V745 PolarHBondContact O-N 3.22Å; Y743-Q746 PolarHBondContact O-N 2.64Å; Y743-L747 WeakPolarHBondContact O-CB 3.39Å; Y743-L747 PolarHBondContact O-N 3.48Å
744T85.1Confident84.6Confident21 Ų2167.6 Ų67.613%0.12934%0.339CS..Hα-helixtrans-55.3-50.9174.4-50.80000111.5S740 Q742 Q748 G774 G778S740-T744 PolarHBondContact O-N 3.06Å; S740-T744 PolarHBondContact O-OG1 2.99Å; Q742-T744 VanDerWaalsContact C-N 3.33Å; Q742-T744 PolarHBondContact O-N 3.2Å; T744-Q748 WeakPolarHBondContact O-CB 3.27Å; T744-Q748 VanDerWaalsContact O-CG 3.27Å; T744-Q748 WeakPolarHBondContact O-CG 3.49Å; T744-Q748 PolarHBondContact O-N 3.18Å; T744-G774 PolarHBondContact OG1-O 3.3Å; T744-G778 VanDerWaalsContact CG2-CA 3.47Å
745V84.4Confident84.3Confident76 Ų7667.2 Ų67.246%0.46134%0.338SS..Hα-helixtrans-69.3-40.6-178.3175.10000111.8R741 Q742 Y743 T749R741-V745 WeakPolarHBondContact O-CG2 3.42Å; R741-V745 PolarHBondContact O-N 3.06Å; Q742-V745 PolarHBondContact O-N 3.02Å; Y743-V745 PolarHBondContact O-N 3.22Å; V745-T749 WeakPolarHBondContact O-CB 3.49Å; V745-T749 PolarHBondContact O-N 2.67Å; V745-T749 PolarHBondContact O-OG1 3.27Å
746Q86.8Confident83.9Confident116 Ų11667 Ų6754%0.54234%0.338SS..Hα-helixtrans-62.1-47.5175.8-74.4174.3-12.400111.3Q742 Y743 T749 W750Q742-Q746 WeakPolarHBondContact O-CB 3.3Å; Q742-Q746 WeakPolarHBondContact O-CG 3.46Å; Q742-Q746 PolarHBondContact O-N 2.91Å; Y743-Q746 PolarHBondContact O-N 2.64Å; Q746-T749 PolarHBondContact O-N 3.26Å; Q746-W750 VanDerWaalsContact O-CB 3.25Å; Q746-W750 WeakPolarHBondContact O-CB 3.43Å; Q746-W750 PolarHBondContact O-N 3.24Å
747L89.7Confident83.6Confident5 Ų567 Ų673%0.02634%0.341CS..Hα-helixtrans-64.6-42.4-180-174.563.5000111.6F728 F734 Y743 W750 I751 F765 V775 I779F728-L747 HydrophobicContact CD1-CD1 4.37Å; F728-L747 HydrophobicContact CD2-CD1 4.44Å; F728-L747 HydrophobicContact CE1-CD1 3.86Å; F728-L747 HydrophobicContact CE2-CD1 3.93Å; F728-L747 HydrophobicContact CZ-CD1 3.61Å; F734-L747 HydrophobicContact CZ-CD1 4.36Å; F734-L747 HydrophobicContact CZ-CD2 4.18Å; Y743-L747 WeakPolarHBondContact O-CB 3.39Å; Y743-L747 PolarHBondContact O-N 3.48Å; L747-W750 PolarHBondContact O-N 3.11Å; L747-I751 HydrophobicContact CD1-CD1 3.84Å; L747-I751 HydrophobicContact CD1-CG1 4.13Å; L747-I751 HydrophobicContact CG-CD1 3.81Å; L747-I751 HydrophobicContact CG-CG1 4.43Å; L747-I751 WeakPolarHBondContact O-CB 3.18Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.31Å; L747-I751 PolarHBondContact O-N 2.94Å; L747-F765 HydrophobicContact CD1-CE1 4.14Å; L747-F765 HydrophobicContact CD2-CE1 4.07Å; L747-V775 HydrophobicContact CD2-CG1 4.04Å; L747-I779 HydrophobicContact CB-CG2 4.5Å; L747-I779 HydrophobicContact CD2-CG2 3.68Å; L747-I779 HydrophobicContact CG-CG2 3.78Å
748Q86.1Confident83.7Confident61 Ų6163.2 Ų63.229%0.28532%0.316SS..Hα-helixtrans-57.4-50172.4-77.2172.3-27.300112.2T744 W750 R752 G778 F782T744-Q748 WeakPolarHBondContact O-CB 3.27Å; T744-Q748 VanDerWaalsContact O-CG 3.27Å; T744-Q748 WeakPolarHBondContact O-CG 3.49Å; T744-Q748 PolarHBondContact O-N 3.18Å; Q748-W750 VanDerWaalsContact C-N 3.32Å; Q748-W750 PolarHBondContact O-N 3.34Å; Q748-R752 WeakPolarHBondContact O-CB 3.45Å; Q748-R752 PolarHBondContact O-N 3.26Å; Q748-G778 PolarHBondContact NE2-O 3.34Å; Q748-F782 HydrophobicContact CB-CE2 4.21Å; Q748-F782 HydrophobicContact CB-CZ 4.21Å; Q748-F782 HydrophobicContact CG-CE2 4.02Å; Q748-F782 HydrophobicContact CG-CZ 4.29Å
749T83.8Confident83.8Confident88 Ų8857.7 Ų57.754%0.5430%0.296SS..Hα-helixtrans-62.4-40.8-179-53.20000111.5V745 Q746 G753V745-T749 WeakPolarHBondContact O-CB 3.49Å; V745-T749 PolarHBondContact O-N 2.67Å; V745-T749 PolarHBondContact O-OG1 3.27Å; Q746-T749 PolarHBondContact O-N 3.26Å; T749-G753 PolarHBondContact O-N 3.02Å
750W87.7Confident84Confident107 Ų10758.1 Ų58.141%0.40530%0.296SS..Hα-helixtrans-72.3-45.1-177.8-167.5101.1000112.7H726 F728 Q746 L747 Q748 R752 G753 N754 F763H726-W750 HydrophobicContact CB-CH2 3.68Å; H726-W750 HydrophobicContact CB-CZ3 3.8Å; H726-W750 AromaticContact CD2-CZ3 4Å; H726-W750 AromaticContact CE1-CH2 3.99Å; H726-W750 AromaticContact CG-CH2 3.48Å; H726-W750 VanDerWaalsContact CG-CH2 3.48Å; H726-W750 AromaticContact CG-CZ3 3.66Å; H726-W750 AromaticContact ND1-CH2 3.39Å; H726-W750 WeakPolarHBondContact ND1-CH2 3.37Å; H726-W750 AromaticContact ND1-CZ3 3.98Å; F728-W750 HydrophobicContact CE2-CE3 4.15Å; F728-W750 HydrophobicContact CE2-CH2 4.17Å; F728-W750 AromaticContact CE2-CZ3 3.69Å; F728-W750 HydrophobicContact CE2-CZ3 3.69Å; F728-W750 HydrophobicContact CZ-CD2 4.05Å; F728-W750 AromaticContact CZ-CE3 3.56Å; F728-W750 HydrophobicContact CZ-CE3 3.56Å; F728-W750 AromaticContact CZ-CH2 3.78Å; F728-W750 HydrophobicContact CZ-CH2 3.78Å; F728-W750 HydrophobicContact CZ-CZ2 4.27Å; F728-W750 AromaticContact CZ-CZ3 3.43Å; F728-W750 HydrophobicContact CZ-CZ3 3.43Å; F728-W750 VanDerWaalsContact CZ-CZ3 3.43Å; Q746-W750 VanDerWaalsContact O-CB 3.25Å; Q746-W750 WeakPolarHBondContact O-CB 3.43Å; Q746-W750 PolarHBondContact O-N 3.24Å; L747-W750 PolarHBondContact O-N 3.11Å; Q748-W750 VanDerWaalsContact C-N 3.32Å; Q748-W750 PolarHBondContact O-N 3.34Å; W750-R752 VanDerWaalsContact C-N 3.35Å; W750-G753 PolarHBondContact O-N 3.47Å; W750-N754 VanDerWaalsContact CD2-ND2 3.31Å; W750-N754 WeakPolarHBondContact CH2-ND2 3.44Å; W750-N754 WeakPolarHBondContact CZ2-ND2 3.49Å; W750-N754 WeakPolarHBondContact CZ3-ND2 3.43Å; W750-N754 PolarHBondContact O-N 3.2Å; W750-F763 HydrophobicContact CZ3-CD1 4.44Å; W750-F763 HydrophobicContact CZ3-CE1 4.12Å
751I89Confident84.6Confident0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-61.7-45175.4-70.9173000110L747 G753 N754 A755 F763 F765 I779 F782 F794L747-I751 HydrophobicContact CD1-CD1 3.84Å; L747-I751 HydrophobicContact CD1-CG1 4.13Å; L747-I751 HydrophobicContact CG-CD1 3.81Å; L747-I751 HydrophobicContact CG-CG1 4.43Å; L747-I751 WeakPolarHBondContact O-CB 3.18Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.31Å; L747-I751 PolarHBondContact O-N 2.94Å; I751-G753 PolarHBondContact O-N 3.45Å; I751-N754 PolarHBondContact O-N 3.09Å; I751-A755 VanDerWaalsContact O-CB 3.23Å; I751-A755 WeakPolarHBondContact O-CB 3.45Å; I751-A755 PolarHBondContact O-N 3.31Å; I751-F763 HydrophobicContact CB-CE1 4.34Å; I751-F763 HydrophobicContact CG1-CD1 4.21Å; I751-F763 HydrophobicContact CG1-CE1 3.97Å; I751-F763 HydrophobicContact CG2-CE1 4.13Å; I751-F763 HydrophobicContact CG2-CE2 4.5Å; I751-F763 HydrophobicContact CG2-CZ 3.99Å; I751-F765 HydrophobicContact CD1-CZ 4.06Å; I751-I779 HydrophobicContact CD1-CB 4.3Å; I751-I779 HydrophobicContact CD1-CD1 4.4Å; I751-I779 HydrophobicContact CD1-CG2 3.67Å; I751-F782 HydrophobicContact CB-CE2 4.47Å; I751-F782 HydrophobicContact CG2-CD2 3.99Å; I751-F782 HydrophobicContact CG2-CE2 4.3Å; I751-F782 HydrophobicContact CG2-CG 4.37Å; I751-F794 HydrophobicContact CG2-CE1 4.01Å
752R83.6Confident85.3Confident107 Ų10749 Ų4940%0.40426%0.256SS..Hα-helixtrans-57.5-50.5175.1-165.5-179.582.4171.55.4111Q748 W750 N754 A755 S756 D790 V792Q748-R752 WeakPolarHBondContact O-CB 3.45Å; Q748-R752 PolarHBondContact O-N 3.26Å; W750-R752 VanDerWaalsContact C-N 3.35Å; R752-N754 PolarHBondContact O-N 2.86Å; R752-A755 PolarHBondContact O-N 3.08Å; R752-S756 PolarHBondContact O-N 3.1Å; R752-S756 PolarHBondContact O-OG 3.38Å; R752-D790 IonicContact CZ-OD2 3.72Å; R752-D790 IonicContact NH1-OD2 3.99Å; R752-D790 PolarHBondContact NH1-OD2 3.15Å; R752-V792 HydrophobicContact CG-CG2 4.07Å
753G80.2Confident85.9Confident34 Ų3444 Ų4435%0.35123%0.233SC..Hα-helixtrans-59.6-41.7-17900000114.2T749 W750 I751 I757T749-G753 PolarHBondContact O-N 3.02Å; W750-G753 PolarHBondContact O-N 3.47Å; I751-G753 PolarHBondContact O-N 3.45Å; G753-I757 WeakPolarHBondContact O-CG1 3.34Å
754N84.5Confident86.3Confident33 Ų3343.1 Ų43.118%0.17623%0.229CC..Hα-helixtrans-79.5-35.5179.2-77.2-28.3000113.3W750 I751 R752 S756 I757 C758W750-N754 VanDerWaalsContact CD2-ND2 3.31Å; W750-N754 WeakPolarHBondContact CH2-ND2 3.44Å; W750-N754 WeakPolarHBondContact CZ2-ND2 3.49Å; W750-N754 WeakPolarHBondContact CZ3-ND2 3.43Å; W750-N754 PolarHBondContact O-N 3.2Å; I751-N754 PolarHBondContact O-N 3.09Å; R752-N754 PolarHBondContact O-N 2.86Å; N754-S756 VanDerWaalsContact C-N 3.26Å; N754-S756 PolarHBondContact O-N 3.29Å; N754-I757 WeakPolarHBondContact O-CB 3.16Å; N754-I757 PolarHBondContact O-N 3.19Å; N754-C758 PolarHBondContact O-N 3.24Å; N754-C758 VanDerWaalsContact O-N 3.11Å
755A84.6Confident86.7Confident3 Ų342.1 Ų42.13%0.02522%0.223CC..Hα-helixtrans-62.2-34.9171.900000111.8I751 R752 I757 C758 G759 V792 F794I751-A755 VanDerWaalsContact O-CB 3.23Å; I751-A755 WeakPolarHBondContact O-CB 3.45Å; I751-A755 PolarHBondContact O-N 3.31Å; R752-A755 PolarHBondContact O-N 3.08Å; A755-I757 PolarHBondContact O-N 3.33Å; A755-C758 CarbonylContact O-C 3.57Å; A755-C758 PolarHBondContact O-N 3.2Å; A755-G759 PolarHBondContact O-N 3.35Å; A755-V792 HydrophobicContact CB-CG1 3.83Å; A755-F794 HydrophobicContact CB-CD1 3.76Å; A755-F794 HydrophobicContact CB-CE1 3.32Å; A755-F794 HydrophobicContact CB-CZ 4.08Å
756S78.1Confident87.1Confident76 Ų7639.3 Ų39.353%0.53121%0.206SC..THydrogen-bonded Turntrans-62.2-25.1170.1-56.90000114R752 N754 V792R752-S756 PolarHBondContact O-N 3.1Å; R752-S756 PolarHBondContact O-OG 3.38Å; N754-S756 VanDerWaalsContact C-N 3.26Å; N754-S756 PolarHBondContact O-N 3.29Å; S756-V792 VanDerWaalsContact OG-CG2 3.25Å; S756-V792 WeakPolarHBondContact OG-CG2 3.3Å
757I78.6Confident87.4Confident79 Ų7936.5 Ų36.541%0.40519%0.192SC..THydrogen-bonded Turntrans-82.6-33.1176.2-60.6168.2000110.6Y724 G753 N754 A755Y724-I757 HydrophobicContact CE1-CG2 4.26Å; G753-I757 WeakPolarHBondContact O-CG1 3.34Å; N754-I757 WeakPolarHBondContact O-CB 3.16Å; N754-I757 PolarHBondContact O-N 3.19Å; A755-I757 PolarHBondContact O-N 3.33Å
758C80.8Confident87.4Confident3 Ų336.3 Ų36.32%0.0219%0.191CC..  trans-158.6112.9175.1-173.10000111.5C645 Y724 N754 A755 R760 S761C645-C758 HydrophobicContact CB-CB 3.66Å; C645-C758 WeakPolarHBondContact CB-SG 3.12Å; C645-C758 WeakPolarHBondContact SG-CA 3.49Å; C645-C758 WeakPolarHBondContact SG-CB 3.45Å; C645-C758 CovalentContact SG-SG 2.04Å; C645-C758 PolarHBondContact SG-SG 2.84Å; Y724-C758 HydrophobicContact CD1-CB 3.34Å; Y724-C758 HydrophobicContact CE1-CB 3.45Å; Y724-C758 VanDerWaalsContact CE1-CB 3.45Å; Y724-C758 HydrophobicContact CG-CB 4.14Å; N754-C758 PolarHBondContact O-N 3.24Å; N754-C758 VanDerWaalsContact O-N 3.11Å; A755-C758 CarbonylContact O-C 3.57Å; A755-C758 PolarHBondContact O-N 3.2Å; C758-R760 PolarHBondContact O-N 3.14Å; C758-R760 VanDerWaalsContact O-N 3.09Å; C758-S761 PolarHBondContact O-N 3.09Å; C758-S761 PolarHBondContact O-OG 3.28Å
759G83.2Confident87.4Confident23 Ų2335.1 Ų35.124%0.23719%0.186CC..THydrogen-bonded Turntrans-64.8-10.2176.900000114.6A755 D796 C797A755-G759 PolarHBondContact O-N 3.35Å; G759-D796 CarbonylContact O-C 3.59Å; G759-D796 WeakPolarHBondContact O-CB 3.41Å; G759-C797 PolarHBondContact O-N 2.99Å; G759-C797 VanDerWaalsContact O-N 3.13Å; G759-C797 PolarHBondContact O-SG 2.84Å
760R87.9Confident87.6Confident73 Ų7335.4 Ų35.428%0.27518%0.184SC..THydrogen-bonded Turntrans-10036.6176.9-65.4175.6178.8-178.14.3112.9D647 I650 Y716 C758 D796D647-R760 IonicContact OD1-CZ 3.31Å; D647-R760 IonicContact OD1-NH1 3.63Å; D647-R760 PolarHBondContact OD1-NH1 3.45Å; D647-R760 IonicContact OD1-NH2 3.99Å; I650-R760 HydrophobicContact CD1-CB 3.84Å; Y716-R760 PolarHBondContact OH-O 2.98Å; C758-R760 PolarHBondContact O-N 3.14Å; C758-R760 VanDerWaalsContact O-N 3.09Å; R760-D796 HydrophobicContact CG-CB 3.79Å; R760-D796 WeakPolarHBondContact CG-OD2 3.04Å; R760-D796 IonicContact NE-OD2 3.83Å; R760-D796 PolarHBondContact NE-OD2 3.29Å; R760-D796 VanDerWaalsContact NE-OD2 3.09Å
761S91.8Very high87.7Confident0 Ų030.5 Ų30.50%017%0.165CC..  trans-82.7146-178.4-65.20000112.5Y724 C758 C797 V798Y724-S761 WeakPolarHBondContact O-CA 3.44Å; C758-S761 PolarHBondContact O-N 3.09Å; C758-S761 PolarHBondContact O-OG 3.28Å; S761-C797 WeakPolarHBondContact O-CA 3.23Å; S761-V798 PolarHBondContact O-N 3.38Å; S761-V798 VanDerWaalsContact O-N 3.1Å
762L94.8Very high87.6Confident0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-105.4113176.4169.461.8000109.6A712 Y716 Y724 V725 H726 I764 V798 V800A712-L762 HydrophobicContact CB-CD2 4.09Å; Y716-L762 HydrophobicContact CE2-CB 3.62Å; Y716-L762 HydrophobicContact CE2-CD2 3.91Å; Y716-L762 HydrophobicContact CE2-CG 4.41Å; Y716-L762 WeakPolarHBondContact OH-CB 3.3Å; Y716-L762 PolarHBondContact OH-N 2.97Å; Y724-L762 PolarHBondContact O-N 2.91Å; V725-L762 HydrophobicContact CG1-CD2 4.27Å; V725-L762 HydrophobicContact CG2-CB 4.3Å; V725-L762 HydrophobicContact CG2-CD2 4.24Å; H726-L762 PolarHBondContact N-O 2.92Å; L762-I764 HydrophobicContact CD1-CG1 4.27Å; L762-I764 HydrophobicContact CD2-CD1 4.17Å; L762-I764 HydrophobicContact CD2-CG1 4.41Å; L762-I764 HydrophobicContact CG-CD1 4.25Å; L762-I764 HydrophobicContact CG-CG1 4.05Å; L762-V798 WeakPolarHBondContact CA-O 3.44Å; L762-V798 HydrophobicContact CD1-CB 3.96Å; L762-V798 HydrophobicContact CD1-CG1 3.89Å; L762-V800 HydrophobicContact CD1-CG2 3.78Å
763F95.2Very high87.5Confident0 Ų028.9 Ų28.90%017%0.174CC..EExtended strand (participates in β ladder)trans-101.1117.1177.5-58.7-85000110.3H726 W750 I751 F765 C797 V798 F799 V800H726-F763 HydrophobicContact CB-CD1 3.83Å; H726-F763 HydrophobicContact CB-CE1 4.27Å; H726-F763 AromaticContact CD2-CD1 3.79Å; H726-F763 AromaticContact CD2-CE1 3.4Å; H726-F763 WeakPolarHBondContact CD2-CE1 3.45Å; H726-F763 AromaticContact CD2-CZ 3.96Å; W750-F763 HydrophobicContact CZ3-CD1 4.44Å; W750-F763 HydrophobicContact CZ3-CE1 4.12Å; I751-F763 HydrophobicContact CB-CE1 4.34Å; I751-F763 HydrophobicContact CG1-CD1 4.21Å; I751-F763 HydrophobicContact CG1-CE1 3.97Å; I751-F763 HydrophobicContact CG2-CE1 4.13Å; I751-F763 HydrophobicContact CG2-CE2 4.5Å; I751-F763 HydrophobicContact CG2-CZ 3.99Å; F763-F765 HydrophobicContact CB-CE2 3.74Å; F763-F765 HydrophobicContact CB-CZ 4.41Å; F763-C797 HydrophobicContact CD2-CB 4.49Å; F763-C797 HydrophobicContact CE2-CB 4.25Å; F763-V798 PolarHBondContact N-O 2.81Å; F763-F799 HydrophobicContact CB-CD1 3.83Å; F763-F799 HydrophobicContact CB-CE1 3.99Å; F763-F799 HydrophobicContact CB-CG 4.48Å; F763-F799 HydrophobicContact CD2-CD1 4.2Å; F763-F799 AromaticContact CD2-CE1 3.7Å; F763-F799 HydrophobicContact CD2-CE1 3.7Å; F763-F799 HydrophobicContact CD2-CE2 4.2Å; F763-F799 AromaticContact CD2-CZ 3.7Å; F763-F799 HydrophobicContact CD2-CZ 3.7Å; F763-F799 HydrophobicContact CE2-CE1 4.42Å; F763-F799 HydrophobicContact CE2-CZ 4.08Å; F763-F799 HydrophobicContact CG-CD1 4.29Å; F763-F799 AromaticContact CG-CE1 3.95Å; F763-F799 HydrophobicContact CG-CE1 3.95Å; F763-F799 HydrophobicContact CG-CZ 4.4Å; F763-F799 CarbonylContact O-C 3.59Å; F763-F799 WeakPolarHBondContact O-CA 3.15Å; F763-V800 PolarHBondContact O-N 3.39Å
764I96.1Very high87.5Confident0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-109.7125.9179.1-59.1157.7000108.1T708 L720 V725 H726 Q727 F728 L762 V800 L802T708-I764 HydrophobicContact CG2-CB 4.46Å; T708-I764 HydrophobicContact CG2-CD1 3.49Å; T708-I764 VanDerWaalsContact CG2-CD1 3.49Å; T708-I764 HydrophobicContact CG2-CG1 3.69Å; T708-I764 HydrophobicContact CG2-CG2 3.9Å; L720-I764 HydrophobicContact CD2-CD1 3.95Å; V725-I764 HydrophobicContact CG1-CD1 3.83Å; H726-I764 PolarHBondContact O-N 3.03Å; Q727-I764 WeakPolarHBondContact CA-O 3.48Å; Q727-I764 HydrophobicContact CB-CB 4.37Å; Q727-I764 HydrophobicContact CG-CB 4.32Å; Q727-I764 HydrophobicContact CG-CG2 4.15Å; F728-I764 PolarHBondContact N-O 3.21Å; L762-I764 HydrophobicContact CD1-CG1 4.27Å; L762-I764 HydrophobicContact CD2-CD1 4.17Å; L762-I764 HydrophobicContact CD2-CG1 4.41Å; L762-I764 HydrophobicContact CG-CD1 4.25Å; L762-I764 HydrophobicContact CG-CG1 4.05Å; I764-V800 CarbonylContact C-O 3.5Å; I764-V800 WeakPolarHBondContact CA-O 3.33Å; I764-V800 HydrophobicContact CG1-CB 4.46Å; I764-L802 HydrophobicContact CG2-CD1 3.93Å; I764-L802 HydrophobicContact CG2-CG 4.43Å
765F94.3Very high87.6Confident0 Ų027.1 Ų27.10%016%0.163CC..EExtended strand (participates in β ladder)trans-116.8103.8175.9-65.9-89.8000108.5F728 L747 I751 F763 V768 M771 L776 I779 F799 V800 F801 L802F728-F765 HydrophobicContact CB-CD1 3.92Å; F728-F765 HydrophobicContact CB-CE1 4.28Å; F728-F765 HydrophobicContact CD2-CD1 4.04Å; F728-F765 AromaticContact CD2-CE1 3.61Å; F728-F765 HydrophobicContact CD2-CE1 3.61Å; F728-F765 AromaticContact CD2-CZ 4Å; F728-F765 HydrophobicContact CD2-CZ 4Å; F728-F765 HydrophobicContact CE2-CE1 4.22Å; F728-F765 HydrophobicContact CE2-CZ 4.33Å; F728-F765 HydrophobicContact CG-CD1 4.24Å; F728-F765 HydrophobicContact CG-CE1 4.08Å; L747-F765 HydrophobicContact CD1-CE1 4.14Å; L747-F765 HydrophobicContact CD2-CE1 4.07Å; I751-F765 HydrophobicContact CD1-CZ 4.06Å; F763-F765 HydrophobicContact CB-CE2 3.74Å; F763-F765 HydrophobicContact CB-CZ 4.41Å; F765-V768 HydrophobicContact CB-CG2 3.92Å; F765-V768 WeakPolarHBondContact O-CG2 3.38Å; F765-M771 HydrophobicContact CB-CE 4.03Å; F765-M771 HydrophobicContact CD1-CE 4.08Å; F765-M771 HydrophobicContact CD1-SD 4.45Å; F765-L776 HydrophobicContact CD1-CD2 4.38Å; F765-I779 HydrophobicContact CE1-CD1 4.29Å; F765-I779 HydrophobicContact CE2-CD1 4.22Å; F765-I779 HydrophobicContact CZ-CD1 3.82Å; F765-F799 HydrophobicContact CE2-CD1 4Å; F765-F799 HydrophobicContact CE2-CE1 4.49Å; F765-V800 PolarHBondContact N-O 3.01Å; F765-F801 HydrophobicContact CB-CD1 3.61Å; F765-F801 HydrophobicContact CB-CE1 3.95Å; F765-F801 HydrophobicContact CD1-CE1 4.49Å; F765-F801 AromaticContact CD2-CD1 3.9Å; F765-F801 HydrophobicContact CD2-CD1 3.9Å; F765-F801 AromaticContact CD2-CE1 3.48Å; F765-F801 HydrophobicContact CD2-CE1 3.48Å; F765-F801 VanDerWaalsContact CD2-CE1 3.48Å; F765-F801 HydrophobicContact CD2-CZ 4.13Å; F765-F801 HydrophobicContact CE2-CE1 4.1Å; F765-F801 HydrophobicContact CE2-CZ 4.42Å; F765-F801 AromaticContact CG-CD1 3.93Å; F765-F801 HydrophobicContact CG-CD1 3.93Å; F765-F801 AromaticContact CG-CE1 3.72Å; F765-F801 HydrophobicContact CG-CE1 3.72Å; F765-L802 PolarHBondContact O-N 2.05Å
766D93.6Very high87.7Confident18 Ų1827 Ų2710%0.09616%0.162CC..EExtended strand (participates in β ladder)trans-92.9153.7177.7-160.911.4000111.9N705 F728 S729 G730 V768 M771 L802N705-D766 PolarHBondContact ND2-OD2 2.88Å; N705-D766 PolarHBondContact OD1-OD2 3.21Å; F728-D766 PolarHBondContact O-N 2.98Å; S729-D766 WeakPolarHBondContact CA-O 3.33Å; G730-D766 PolarHBondContact N-O 3.13Å; D766-V768 VanDerWaalsContact C-N 3.33Å; D766-V768 PolarHBondContact O-N 3.26Å; D766-M771 WeakPolarHBondContact O-CE 3.36Å; D766-L802 HydrophobicContact CB-CD1 4.15Å
767E91.2Very high87.9Confident56 Ų5624.8 Ų24.826%0.26215%0.145SC..  trans5345.3-179.3-53.2177.6139.800113.4S729 S731 E769 L770 L802S729-E767 PolarHBondContact OG-OE2 3.33Å; S731-E767 WeakPolarHBondContact CB-OE2 3.2Å; S731-E767 PolarHBondContact N-OE2 3Å; S731-E767 PolarHBondContact OG-OE2 3.44Å; E767-E769 PolarHBondContact O-N 3.28Å; E767-E769 VanDerWaalsContact O-N 3.16Å; E767-L770 HydrophobicContact CB-CB 4.45Å; E767-L770 HydrophobicContact CB-CD1 4.01Å; E767-L770 HydrophobicContact CB-CG 4.21Å; E767-L770 WeakPolarHBondContact O-CB 3.45Å; E767-L770 PolarHBondContact O-N 3Å; E767-L802 PolarHBondContact N-O 3.26Å
768V89.7Confident88Confident1 Ų121.4 Ų21.41%0.00613%0.13CC..G310 helixtrans-58.5-30.5-174.11710000113.3F765 D766 L770 M771 L776 F801 L802 G846 L847F765-V768 HydrophobicContact CB-CG2 3.92Å; F765-V768 WeakPolarHBondContact O-CG2 3.38Å; D766-V768 VanDerWaalsContact C-N 3.33Å; D766-V768 PolarHBondContact O-N 3.26Å; V768-L770 PolarHBondContact O-N 2.96Å; V768-M771 HydrophobicContact CG2-CE 4.24Å; V768-M771 HydrophobicContact CG2-SD 4.4Å; V768-M771 WeakPolarHBondContact O-CB 3.34Å; V768-M771 PolarHBondContact O-N 3.27Å; V768-M771 VanDerWaalsContact O-N 3.1Å; V768-L776 HydrophobicContact CG1-CD1 3.57Å; V768-F801 HydrophobicContact CG2-CB 4.26Å; V768-F801 HydrophobicContact CG2-CD1 4Å; V768-L802 WeakPolarHBondContact CG2-O 3.4Å; V768-L802 PolarHBondContact N-O 3.37Å; V768-G846 WeakPolarHBondContact O-CA 3.48Å; V768-G846 PolarHBondContact O-N 3.04Å; V768-L847 HydrophobicContact CG1-CD1 3.71Å; V768-L847 HydrophobicContact CG1-CD2 4.46Å; V768-L847 HydrophobicContact CG1-CG 3.59Å
769E86.6Confident88.1Confident36 Ų3621.3 Ų21.317%0.16813%0.129CC..G310 helixtrans-60.2-25.9172.960.5-80.718000114.1E767 S803 N804 T805 G845E767-E769 PolarHBondContact O-N 3.28Å; E767-E769 VanDerWaalsContact O-N 3.16Å; E769-S803 WeakPolarHBondContact OE2-CA 3.46Å; E769-S803 VanDerWaalsContact OE2-CB 3.25Å; E769-S803 WeakPolarHBondContact OE2-CB 3.27Å; E769-S803 PolarHBondContact OE2-OG 2.75Å; E769-N804 WeakPolarHBondContact OE1-CB 3.19Å; E769-N804 PolarHBondContact OE1-N 3.34Å; E769-N804 PolarHBondContact OE1-ND2 3.16Å; E769-N804 PolarHBondContact OE2-N 2.79Å; E769-T805 WeakPolarHBondContact CB-OG1 3.39Å; E769-G845 WeakPolarHBondContact O-CA 3.47Å
770L88.8Confident88Confident94 Ų9422.9 Ų22.949%0.49213%0.129SC..G310 helixtrans-86.3-8.8178.1-54.9-175.1000112.8E767 V768E767-L770 HydrophobicContact CB-CB 4.45Å; E767-L770 HydrophobicContact CB-CD1 4.01Å; E767-L770 HydrophobicContact CB-CG 4.21Å; E767-L770 WeakPolarHBondContact O-CB 3.45Å; E767-L770 PolarHBondContact O-N 3Å; V768-L770 PolarHBondContact O-N 2.96Å
771M89.6Confident87.6Confident4 Ų421.4 Ų21.42%0.0213%0.128CC..SBendtrans-72.3139.7177-64-175.2-174.400111F734 F765 D766 V768 L776 G846F734-M771 HydrophobicContact CD2-CE 4.14Å; F734-M771 HydrophobicContact CD2-CG 3.9Å; F734-M771 HydrophobicContact CD2-SD 4.13Å; F734-M771 HydrophobicContact CE2-CE 3.93Å; F734-M771 HydrophobicContact CE2-CG 4.42Å; F734-M771 HydrophobicContact CE2-SD 4.04Å; F765-M771 HydrophobicContact CB-CE 4.03Å; F765-M771 HydrophobicContact CD1-CE 4.08Å; F765-M771 HydrophobicContact CD1-SD 4.45Å; D766-M771 WeakPolarHBondContact O-CE 3.36Å; V768-M771 HydrophobicContact CG2-CE 4.24Å; V768-M771 HydrophobicContact CG2-SD 4.4Å; V768-M771 WeakPolarHBondContact O-CB 3.34Å; V768-M771 PolarHBondContact O-N 3.27Å; V768-M771 VanDerWaalsContact O-N 3.1Å; M771-L776 HydrophobicContact SD-CD2 4.05Å; M771-L776 HydrophobicContact SD-CG 4.35Å; M771-G846 VanDerWaalsContact O-CA 3.23Å; M771-G846 WeakPolarHBondContact O-CA 3.12Å; M771-G846 PolarHBondContact O-N 2.79Å; M771-G846 VanDerWaalsContact O-N 3.09Å
772P86.7Confident87.1Confident11 Ų1122 Ų227%0.07113%0.131CC..PPolyproline II helixtrans-61138.5173.8-22.633.7000112F734 P737 V775F734-P772 HydrophobicContact CB-CG 4.3Å; P737-P772 HydrophobicContact CB-CB 4.39Å; P737-P772 HydrophobicContact CB-CG 4.39Å; P772-V775 HydrophobicContact CB-CG2 3.99Å; P772-V775 HydrophobicContact CG-CG2 4.35Å; P772-V775 WeakPolarHBondContact O-CB 3.48Å; P772-V775 WeakPolarHBondContact O-CG2 3.28Å; P772-V775 PolarHBondContact O-N 2.64Å
773A81.4Confident86.5Confident62 Ų6222.1 Ų22.151%0.51213%0.131SC..THydrogen-bonded Turntrans-56.5141.2175.900000111.4V775A773-V775 VanDerWaalsContact C-N 3.34Å; A773-V775 PolarHBondContact O-N 3.09Å
774G80.8Confident85.7Confident30 Ų3023.1 Ų23.131%0.30914%0.136SC..THydrogen-bonded Turntrans85.2-13-176.700000115.9T744 D777T744-G774 PolarHBondContact OG1-O 3.3Å; G774-D777 WeakPolarHBondContact CA-OD2 3.43Å; G774-D777 PolarHBondContact O-N 3.36Å
775V86.8Confident84.2Confident0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-66.7-48.1175.1176.40000110.5F734 L747 P772 A773 D777 G778F734-V775 HydrophobicContact CD1-CG1 4.32Å; F734-V775 HydrophobicContact CE1-CG1 4.14Å; F734-V775 HydrophobicContact CZ-CG1 4.45Å; L747-V775 HydrophobicContact CD2-CG1 4.04Å; P772-V775 HydrophobicContact CB-CG2 3.99Å; P772-V775 HydrophobicContact CG-CG2 4.35Å; P772-V775 WeakPolarHBondContact O-CB 3.48Å; P772-V775 WeakPolarHBondContact O-CG2 3.28Å; P772-V775 PolarHBondContact O-N 2.64Å; A773-V775 VanDerWaalsContact C-N 3.34Å; A773-V775 PolarHBondContact O-N 3.09Å; V775-D777 VanDerWaalsContact C-N 3.3Å; V775-D777 PolarHBondContact O-N 3.02Å; V775-G778 PolarHBondContact O-N 3.25Å
776L85.5Confident82.7Confident0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-68-27.1177.3-69.5-172.1000113.4F765 V768 M771 G778 I779 F801 L847 L852F765-L776 HydrophobicContact CD1-CD2 4.38Å; V768-L776 HydrophobicContact CG1-CD1 3.57Å; M771-L776 HydrophobicContact SD-CD2 4.05Å; M771-L776 HydrophobicContact SD-CG 4.35Å; L776-G778 PolarHBondContact O-N 3.04Å; L776-I779 HydrophobicContact CD2-CD1 3.93Å; L776-I779 HydrophobicContact CD2-CG1 4.41Å; L776-I779 WeakPolarHBondContact O-CG1 3.18Å; L776-I779 PolarHBondContact O-N 2.99Å; L776-F801 HydrophobicContact CD1-CD1 4.4Å; L776-F801 HydrophobicContact CD1-CE1 4.21Å; L776-F801 HydrophobicContact CD2-CE1 3.87Å; L776-L847 HydrophobicContact CD1-CD2 3.85Å; L776-L847 HydrophobicContact CD1-CG 4.15Å; L776-L852 HydrophobicContact CB-CD1 3.97Å; L776-L852 HydrophobicContact CD1-CD1 4.32Å
777D81.9Confident80.8Confident30 Ų3043.2 Ų43.216%0.1622%0.218CC..Hα-helixtrans-68.8-19.9177.5-68.1-52.6000113.6G774 V775 K780 H851G774-D777 WeakPolarHBondContact CA-OD2 3.43Å; G774-D777 PolarHBondContact O-N 3.36Å; V775-D777 VanDerWaalsContact C-N 3.3Å; V775-D777 PolarHBondContact O-N 3.02Å; D777-K780 WeakPolarHBondContact O-CD 2.96Å; D777-K780 WeakPolarHBondContact O-CE 3.46Å; D777-K780 WeakPolarHBondContact O-CG 3.45Å; D777-H851 WeakPolarHBondContact OD1-CB 3.23Å; D777-H851 IonicContact OD1-CD2 2.67Å; D777-H851 IonicContact OD1-CG 2.96Å; D777-H851 PolarHBondContact OD1-N 2.77Å
778G80.5Confident79Confident9 Ų945 Ų459%0.09323%0.23CC..Hα-helixtrans-73.6-31.4172.700000113.5T744 Q748 V775 L776 K780T744-G778 VanDerWaalsContact CG2-CA 3.47Å; Q748-G778 PolarHBondContact NE2-O 3.34Å; V775-G778 PolarHBondContact O-N 3.25Å; L776-G778 PolarHBondContact O-N 3.04Å; G778-K780 VanDerWaalsContact C-N 3.29Å
779I84.2Confident77.5Confident0 Ų046.1 Ų46.10%024%0.237CC..G310 helixtrans-86-1.6-179.264.5161.7000113L747 I751 F765 L776 T781 F782 M783 F801L747-I779 HydrophobicContact CB-CG2 4.5Å; L747-I779 HydrophobicContact CD2-CG2 3.68Å; L747-I779 HydrophobicContact CG-CG2 3.78Å; I751-I779 HydrophobicContact CD1-CB 4.3Å; I751-I779 HydrophobicContact CD1-CD1 4.4Å; I751-I779 HydrophobicContact CD1-CG2 3.67Å; F765-I779 HydrophobicContact CE1-CD1 4.29Å; F765-I779 HydrophobicContact CE2-CD1 4.22Å; F765-I779 HydrophobicContact CZ-CD1 3.82Å; L776-I779 HydrophobicContact CD2-CD1 3.93Å; L776-I779 HydrophobicContact CD2-CG1 4.41Å; L776-I779 WeakPolarHBondContact O-CG1 3.18Å; L776-I779 PolarHBondContact O-N 2.99Å; I779-T781 PolarHBondContact O-N 3.17Å; I779-T781 VanDerWaalsContact O-N 3.16Å; I779-F782 HydrophobicContact CB-CD2 3.97Å; I779-F782 HydrophobicContact CB-CE2 4.36Å; I779-F782 HydrophobicContact CG2-CD2 4.31Å; I779-F782 HydrophobicContact CG2-CE2 4.27Å; I779-F782 WeakPolarHBondContact O-CD2 3.38Å; I779-F782 PolarHBondContact O-N 3.45Å; I779-F782 VanDerWaalsContact O-N 3.11Å; I779-M783 HydrophobicContact CB-CE 4.33Å; I779-M783 HydrophobicContact CD1-CE 3.71Å; I779-M783 HydrophobicContact CG1-CE 3.64Å; I779-M783 WeakPolarHBondContact O-CE 3.42Å; I779-F801 HydrophobicContact CD1-CE1 4.5Å; I779-F801 HydrophobicContact CD1-CZ 4.32Å
780K81.7Confident75.9Confident56 Ų5649.7 Ų49.724%0.24326%0.257CS..G310 helixtrans-51.6-38.8178.376.4-170.4169.6-156.30113D777 G778 F782 M783 E784 H851 L852 L857D777-K780 WeakPolarHBondContact O-CD 2.96Å; D777-K780 WeakPolarHBondContact O-CE 3.46Å; D777-K780 WeakPolarHBondContact O-CG 3.45Å; G778-K780 VanDerWaalsContact C-N 3.29Å; K780-F782 PolarHBondContact O-N 3.18Å; K780-M783 PolarHBondContact O-N 3.24Å; K780-E784 PolarHBondContact O-N 3.18Å; K780-H851 HydrophobicContact CD-CB 4Å; K780-L852 HydrophobicContact CB-CD2 3.82Å; K780-L857 HydrophobicContact CB-CD1 4.17Å
781T78.2Confident74.7Confident42 Ų4255.8 Ų55.826%0.25827%0.273SS..G310 helixtrans-60.7-30.2-176.5-42.60000112.6I779 M783 V789I779-T781 PolarHBondContact O-N 3.17Å; I779-T781 VanDerWaalsContact O-N 3.16Å; T781-M783 VanDerWaalsContact C-N 3.31Å; T781-V789 HydrophobicContact CG2-CG1 4.09Å; T781-V789 HydrophobicContact CG2-CG2 4.16Å
782F82Confident73.8Confident14 Ų1456.3 Ų56.36%0.06128%0.277CS..G310 helixtrans-80.9-10.3178-47-57.4000113.4P691 Q748 I751 I779 K780 V789 F794P691-F782 WeakPolarHBondContact CG-O 3.48Å; Q748-F782 HydrophobicContact CB-CE2 4.21Å; Q748-F782 HydrophobicContact CB-CZ 4.21Å; Q748-F782 HydrophobicContact CG-CE2 4.02Å; Q748-F782 HydrophobicContact CG-CZ 4.29Å; I751-F782 HydrophobicContact CB-CE2 4.47Å; I751-F782 HydrophobicContact CG2-CD2 3.99Å; I751-F782 HydrophobicContact CG2-CE2 4.3Å; I751-F782 HydrophobicContact CG2-CG 4.37Å; I779-F782 HydrophobicContact CB-CD2 3.97Å; I779-F782 HydrophobicContact CB-CE2 4.36Å; I779-F782 HydrophobicContact CG2-CD2 4.31Å; I779-F782 HydrophobicContact CG2-CE2 4.27Å; I779-F782 WeakPolarHBondContact O-CD2 3.38Å; I779-F782 PolarHBondContact O-N 3.45Å; I779-F782 VanDerWaalsContact O-N 3.11Å; K780-F782 PolarHBondContact O-N 3.18Å; F782-V789 HydrophobicContact CE1-CG1 4.36Å; F782-F794 HydrophobicContact CB-CD1 4.03Å; F782-F794 HydrophobicContact CB-CE1 4.2Å; F782-F794 HydrophobicContact CB-CG 4.21Å; F782-F794 HydrophobicContact CD1-CD1 4.33Å; F782-F794 HydrophobicContact CD1-CD2 4.15Å; F782-F794 AromaticContact CD1-CE1 3.77Å; F782-F794 HydrophobicContact CD1-CE1 3.77Å; F782-F794 AromaticContact CD1-CE2 3.58Å; F782-F794 HydrophobicContact CD1-CE2 3.58Å; F782-F794 HydrophobicContact CD1-CG 4.5Å; F782-F794 AromaticContact CD1-CZ 3.36Å; F782-F794 HydrophobicContact CD1-CZ 3.36Å; F782-F794 HydrophobicContact CE1-CE1 4.41Å; F782-F794 HydrophobicContact CE1-CE2 4.15Å; F782-F794 AromaticContact CE1-CZ 3.75Å; F782-F794 HydrophobicContact CE1-CZ 3.75Å; F782-F794 HydrophobicContact CG-CD1 4.41Å; F782-F794 HydrophobicContact CG-CE1 4.07Å; F782-F794 HydrophobicContact CG-CZ 4.13Å
783M82.2Confident73.4Confident1 Ų158.9 Ų58.91%0.00529%0.29CS..THydrogen-bonded Turntrans-109.8-2178.4-70175.7-81.600113.1P691 V693 I779 K780 T781 F799 F801 L852 L857P691-M783 HydrophobicContact CG-CG 4.46Å; V693-M783 HydrophobicContact CG1-SD 4.2Å; V693-M783 HydrophobicContact CG2-CB 4.24Å; V693-M783 HydrophobicContact CG2-CG 3.89Å; V693-M783 HydrophobicContact CG2-SD 3.93Å; I779-M783 HydrophobicContact CB-CE 4.33Å; I779-M783 HydrophobicContact CD1-CE 3.71Å; I779-M783 HydrophobicContact CG1-CE 3.64Å; I779-M783 WeakPolarHBondContact O-CE 3.42Å; K780-M783 PolarHBondContact O-N 3.24Å; T781-M783 VanDerWaalsContact C-N 3.31Å; M783-F799 HydrophobicContact CG-CD1 4.39Å; M783-F799 HydrophobicContact CG-CD2 4.16Å; M783-F799 HydrophobicContact CG-CE1 4.48Å; M783-F799 HydrophobicContact CG-CE2 4.24Å; M783-F799 HydrophobicContact CG-CG 4.26Å; M783-F799 HydrophobicContact CG-CZ 4.41Å; M783-F799 HydrophobicContact SD-CB 4.46Å; M783-F799 HydrophobicContact SD-CD1 4.17Å; M783-F799 HydrophobicContact SD-CG 4.19Å; M783-F801 HydrophobicContact CE-CZ 4.11Å; M783-F801 HydrophobicContact SD-CE2 3.87Å; M783-F801 HydrophobicContact SD-CZ 3.9Å; M783-L852 HydrophobicContact CE-CD1 3.97Å; M783-L852 HydrophobicContact CE-CD2 3.48Å; M783-L852 VanDerWaalsContact CE-CD2 3.48Å; M783-L852 HydrophobicContact CE-CG 4.4Å; M783-L852 HydrophobicContact SD-CD2 4.4Å; M783-L857 HydrophobicContact CB-CD1 4.45Å
784E78.9Confident73.6Confident21 Ų2156.3 Ų56.310%0.09827%0.267CS..SBendtrans-75.6159.9175.2-77.8-179.317500112.2K780 R786 R855 L857K780-E784 PolarHBondContact O-N 3.18Å; E784-R786 VanDerWaalsContact C-N 3.33Å; E784-R786 HydrophobicContact CB-CG 4.26Å; E784-R786 PolarHBondContact O-N 2.91Å; E784-R786 IonicContact OE2-CZ 3.28Å; E784-R786 VanDerWaalsContact OE2-CZ 3.28Å; E784-R786 IonicContact OE2-NE 2.99Å; E784-R786 PolarHBondContact OE2-NE 3.05Å; E784-R786 IonicContact OE2-NH2 2.72Å; E784-R786 PolarHBondContact OE2-NH2 3.23Å; E784-R855 IonicContact OE1-CZ 3.53Å; E784-R855 IonicContact OE1-NH1 2.71Å; E784-R855 PolarHBondContact OE1-NH1 3.09Å; E784-L857 HydrophobicContact CG-CD1 4.18Å; E784-L857 HydrophobicContact CG-CD2 4.17Å
785Y62.9Low73.8Confident153 Ų15357.6 Ų57.660%0.626%0.262SS*.SBendtrans-71.883.5173.1-69.5-89.5000110.9K689 K690K689-Y785 HydrophobicContact CB-CD1 3.82Å; K689-Y785 HydrophobicContact CB-CE1 4.27Å; K689-Y785 WeakPolarHBondContact O-CA 3.43Å; K690-Y785 HydrophobicContact CB-CD1 4.01Å; K690-Y785 HydrophobicContact CB-CE1 4.29Å; K690-Y785 HydrophobicContact CB-CG 4.33Å; K690-Y785 HydrophobicContact CD-CD1 4.32Å; K690-Y785 HydrophobicContact CD-CD2 4.31Å; K690-Y785 HydrophobicContact CD-CE1 3.94Å; K690-Y785 HydrophobicContact CD-CE2 3.92Å; K690-Y785 HydrophobicContact CG-CD1 3.92Å; K690-Y785 HydrophobicContact CG-CE1 3.67Å; K690-Y785 HydrophobicContact CG-CG 4.46Å
786R63.1Low73.8Confident132 Ų13260 Ų6050%0.49828%0.275SS..  trans-137.4145.5177.8-59.6-177.8-172.5-124.34.2109.9E784 V789E784-R786 VanDerWaalsContact C-N 3.33Å; E784-R786 HydrophobicContact CB-CG 4.26Å; E784-R786 PolarHBondContact O-N 2.91Å; E784-R786 IonicContact OE2-CZ 3.28Å; E784-R786 VanDerWaalsContact OE2-CZ 3.28Å; E784-R786 IonicContact OE2-NE 2.99Å; E784-R786 PolarHBondContact OE2-NE 3.05Å; E784-R786 IonicContact OE2-NH2 2.72Å; E784-R786 PolarHBondContact OE2-NH2 3.23Å; R786-V789 HydrophobicContact CB-CG2 4.45Å
787E54.1Low74Confident155 Ų15560 Ų6072%0.72428%0.275SS*.SBendtrans-74-43180-68.8176.6-170.900111.6
788D54.5Low74.6Confident95 Ų9558.6 Ų58.651%0.50827%0.268SS..  trans-142153.9173.173.7-52.6000112.3R791D788-R791 PolarHBondContact OD2-N 3.49Å
789V56.6Low75.3Confident24 Ų2458.1 Ų58.115%0.14526%0.263CS..BIsolated β-bridgetrans-128.8117.5165.3-178.30000107T781 F782 R786 R791 V792 F794T781-V789 HydrophobicContact CG2-CG1 4.09Å; T781-V789 HydrophobicContact CG2-CG2 4.16Å; F782-V789 HydrophobicContact CE1-CG1 4.36Å; R786-V789 HydrophobicContact CB-CG2 4.45Å; V789-R791 PolarHBondContact O-N 3.22Å; V789-V792 PolarHBondContact N-O 3.1Å; V789-V792 PolarHBondContact O-N 3.06Å; V789-F794 HydrophobicContact CB-CD2 4.45Å; V789-F794 HydrophobicContact CB-CE2 4.07Å
790D54.7Low75.8Confident110 Ų11058.2 Ų58.259%0.58826%0.264SS*.THydrogen-bonded Turntrans49.939.7-172.7-63.5-18.8000113.7R752 V792R752-D790 IonicContact CZ-OD2 3.72Å; R752-D790 IonicContact NH1-OD2 3.99Å; R752-D790 PolarHBondContact NH1-OD2 3.15Å; D790-V792 VanDerWaalsContact C-N 3.25Å; D790-V792 PolarHBondContact O-N 3.48Å
791R63Low76.4Confident223 Ų22355.6 Ų55.684%0.84225%0.252SS*.THydrogen-bonded Turntrans65.314.1-175.4-46.8177.1-179.8174.2-0116.1D788 V789D788-R791 PolarHBondContact OD2-N 3.49Å; V789-R791 PolarHBondContact O-N 3.22Å
792V70.3Confident77.1Confident15 Ų1553.6 Ų53.69%0.09124%0.24CC..BIsolated β-bridgetrans-102.9127.3173-174.40000109.3R752 A755 S756 V789 D790 F794R752-V792 HydrophobicContact CG-CG2 4.07Å; A755-V792 HydrophobicContact CB-CG1 3.83Å; S756-V792 VanDerWaalsContact OG-CG2 3.25Å; S756-V792 WeakPolarHBondContact OG-CG2 3.3Å; V789-V792 PolarHBondContact N-O 3.1Å; V789-V792 PolarHBondContact O-N 3.06Å; D790-V792 VanDerWaalsContact C-N 3.25Å; D790-V792 PolarHBondContact O-N 3.48Å; V792-F794 HydrophobicContact CB-CD2 4.44Å; V792-F794 HydrophobicContact CB-CE2 3.66Å; V792-F794 HydrophobicContact CB-CZ 3.94Å; V792-F794 HydrophobicContact CG1-CD2 4.32Å; V792-F794 HydrophobicContact CG1-CE1 4.19Å; V792-F794 HydrophobicContact CG1-CE2 3.73Å; V792-F794 HydrophobicContact CG1-CZ 3.66Å; V792-F794 VanDerWaalsContact O-CD2 3.3Å; V792-F794 WeakPolarHBondContact O-CD2 3.46Å; V792-F794 WeakPolarHBondContact O-CE2 3.33Å
793D78.5Confident77.6Confident65 Ų6553 Ų5335%0.34824%0.237SC..  trans-88.7118176.3-167.8-20.7000110R795D793-R795 VanDerWaalsContact CG-NE 3.35Å; D793-R795 WeakPolarHBondContact OD1-CB 3.13Å; D793-R795 WeakPolarHBondContact OD1-CG 3.5Å; D793-R795 IonicContact OD1-CZ 2.95Å; D793-R795 PolarHBondContact OD1-N 2.87Å; D793-R795 IonicContact OD1-NE 3.72Å; D793-R795 PolarHBondContact OD1-NE 3.1Å; D793-R795 IonicContact OD2-CZ 3.23Å; D793-R795 VanDerWaalsContact OD2-CZ 3.31Å; D793-R795 IonicContact OD2-NE 3.83Å; D793-R795 PolarHBondContact OD2-NE 3.13Å; D793-R795 IonicContact OD2-NH2 2.72Å; D793-R795 PolarHBondContact OD2-NH2 3.35Å
794F84.4Confident78Confident8 Ų855.3 Ų55.34%0.03525%0.25CS..  trans-101.8-0.9178.7-64.7-88.3000112.8P691 I751 A755 F782 V789 V792 D796 C797P691-F794 WeakPolarHBondContact CB-O 3.39Å; I751-F794 HydrophobicContact CG2-CE1 4.01Å; A755-F794 HydrophobicContact CB-CD1 3.76Å; A755-F794 HydrophobicContact CB-CE1 3.32Å; A755-F794 HydrophobicContact CB-CZ 4.08Å; F782-F794 HydrophobicContact CB-CD1 4.03Å; F782-F794 HydrophobicContact CB-CE1 4.2Å; F782-F794 HydrophobicContact CB-CG 4.21Å; F782-F794 HydrophobicContact CD1-CD1 4.33Å; F782-F794 HydrophobicContact CD1-CD2 4.15Å; F782-F794 AromaticContact CD1-CE1 3.77Å; F782-F794 HydrophobicContact CD1-CE1 3.77Å; F782-F794 AromaticContact CD1-CE2 3.58Å; F782-F794 HydrophobicContact CD1-CE2 3.58Å; F782-F794 HydrophobicContact CD1-CG 4.5Å; F782-F794 AromaticContact CD1-CZ 3.36Å; F782-F794 HydrophobicContact CD1-CZ 3.36Å; F782-F794 HydrophobicContact CE1-CE1 4.41Å; F782-F794 HydrophobicContact CE1-CE2 4.15Å; F782-F794 AromaticContact CE1-CZ 3.75Å; F782-F794 HydrophobicContact CE1-CZ 3.75Å; F782-F794 HydrophobicContact CG-CD1 4.41Å; F782-F794 HydrophobicContact CG-CE1 4.07Å; F782-F794 HydrophobicContact CG-CZ 4.13Å; V789-F794 HydrophobicContact CB-CD2 4.45Å; V789-F794 HydrophobicContact CB-CE2 4.07Å; V792-F794 HydrophobicContact CB-CD2 4.44Å; V792-F794 HydrophobicContact CB-CE2 3.66Å; V792-F794 HydrophobicContact CB-CZ 3.94Å; V792-F794 HydrophobicContact CG1-CD2 4.32Å; V792-F794 HydrophobicContact CG1-CE1 4.19Å; V792-F794 HydrophobicContact CG1-CE2 3.73Å; V792-F794 HydrophobicContact CG1-CZ 3.66Å; V792-F794 VanDerWaalsContact O-CD2 3.3Å; V792-F794 WeakPolarHBondContact O-CD2 3.46Å; V792-F794 WeakPolarHBondContact O-CE2 3.33Å; F794-D796 PolarHBondContact O-N 3.11Å; F794-C797 VanDerWaalsContact O-CB 3.28Å; F794-C797 WeakPolarHBondContact O-CB 3.47Å; F794-C797 PolarHBondContact O-N 3.25Å
795R85.3Confident78.1Confident56 Ų5655.1 Ų55.121%0.21125%0.25CS..THydrogen-bonded Turntrans-70.6-21.3-167.5-57.5172.8-56.1152.1-11.4113H682 D687 K688 D793H682-R795 PolarHBondContact CE1-O 3.04Å; H682-R795 VanDerWaalsContact CE1-O 3.3Å; D687-R795 IonicContact OD1-NH1 3.82Å; D687-R795 PolarHBondContact OD1-NH1 3.32Å; K688-R795 HydrophobicContact CB-CB 4.05Å; K688-R795 VanDerWaalsContact CD-O 3.27Å; K688-R795 WeakPolarHBondContact CD-O 3.4Å; K688-R795 VanDerWaalsContact O-CD 3.31Å; K688-R795 WeakPolarHBondContact O-CD 3.49Å; K688-R795 PolarHBondContact O-NH1 3.33Å; D793-R795 VanDerWaalsContact CG-NE 3.35Å; D793-R795 WeakPolarHBondContact OD1-CB 3.13Å; D793-R795 WeakPolarHBondContact OD1-CG 3.5Å; D793-R795 IonicContact OD1-CZ 2.95Å; D793-R795 PolarHBondContact OD1-N 2.87Å; D793-R795 IonicContact OD1-NE 3.72Å; D793-R795 PolarHBondContact OD1-NE 3.1Å; D793-R795 IonicContact OD2-CZ 3.23Å; D793-R795 VanDerWaalsContact OD2-CZ 3.31Å; D793-R795 IonicContact OD2-NE 3.83Å; D793-R795 PolarHBondContact OD2-NE 3.13Å; D793-R795 IonicContact OD2-NH2 2.72Å; D793-R795 PolarHBondContact OD2-NH2 3.35Å
796D87.2Confident79.1Confident50 Ų5047.8 Ų47.827%0.26722%0.222SC..THydrogen-bonded Turntrans-87.5-6.1174.1-104.613.2000113.9K688 G759 R760 F794K688-D796 WeakPolarHBondContact CD-OD1 3.48Å; K688-D796 WeakPolarHBondContact CE-OD1 3.17Å; K688-D796 IonicContact NZ-OD1 3.2Å; K688-D796 PolarHBondContact NZ-OD1 3.19Å; G759-D796 CarbonylContact O-C 3.59Å; G759-D796 WeakPolarHBondContact O-CB 3.41Å; R760-D796 HydrophobicContact CG-CB 3.79Å; R760-D796 WeakPolarHBondContact CG-OD2 3.04Å; R760-D796 IonicContact NE-OD2 3.83Å; R760-D796 PolarHBondContact NE-OD2 3.29Å; R760-D796 VanDerWaalsContact NE-OD2 3.09Å; F794-D796 PolarHBondContact O-N 3.11Å
797C90.9Very high80.3Confident0 Ų041.6 Ų41.60%020%0.198CC..  trans-77.9153.9-178.7-69.90000112.6P691 L692 G759 S761 F763 F794 F799P691-C797 WeakPolarHBondContact CA-O 3.5Å; P691-C797 HydrophobicContact CB-CB 4.2Å; P691-C797 WeakPolarHBondContact CB-O 3.4Å; L692-C797 PolarHBondContact N-O 3.44Å; G759-C797 PolarHBondContact O-N 2.99Å; G759-C797 VanDerWaalsContact O-N 3.13Å; G759-C797 PolarHBondContact O-SG 2.84Å; S761-C797 WeakPolarHBondContact O-CA 3.23Å; F763-C797 HydrophobicContact CD2-CB 4.49Å; F763-C797 HydrophobicContact CE2-CB 4.25Å; F794-C797 VanDerWaalsContact O-CB 3.28Å; F794-C797 WeakPolarHBondContact O-CB 3.47Å; F794-C797 PolarHBondContact O-N 3.25Å; C797-F799 HydrophobicContact CB-CD2 4.4Å; C797-F799 HydrophobicContact CB-CE2 3.75Å; C797-F799 HydrophobicContact CB-CZ 4.48Å
798V93.8Very high81.9Confident1 Ų136.7 Ų36.71%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-121127.9172.7-177.30000109.5L679 F683 L692 S761 L762 F763 V800L679-V798 HydrophobicContact CD2-CG1 4.47Å; F683-V798 HydrophobicContact CZ-CG2 4.02Å; L692-V798 HydrophobicContact CB-CG1 4.48Å; L692-V798 HydrophobicContact CB-CG2 4.43Å; L692-V798 HydrophobicContact CD2-CG1 4.22Å; L692-V798 HydrophobicContact CG-CG1 4.47Å; S761-V798 PolarHBondContact O-N 3.38Å; S761-V798 VanDerWaalsContact O-N 3.1Å; L762-V798 WeakPolarHBondContact CA-O 3.44Å; L762-V798 HydrophobicContact CD1-CB 3.96Å; L762-V798 HydrophobicContact CD1-CG1 3.89Å; F763-V798 PolarHBondContact N-O 2.81Å; V798-V800 HydrophobicContact CG1-CG2 4.19Å
799F94.6Very high83.4Confident0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-110131.4176.4-67.6-99.8000109.5P691 L692 V693 L694 F763 F765 M783 C797 F801P691-F799 HydrophobicContact CB-CD2 3.82Å; P691-F799 HydrophobicContact CB-CE2 3.79Å; P691-F799 HydrophobicContact CG-CD2 4.12Å; P691-F799 HydrophobicContact CG-CE2 3.87Å; L692-F799 PolarHBondContact O-N 2.99Å; V693-F799 HydrophobicContact CG1-CB 4.33Å; V693-F799 HydrophobicContact CG2-CB 4.27Å; L694-F799 PolarHBondContact N-O 3.21Å; F763-F799 HydrophobicContact CB-CD1 3.83Å; F763-F799 HydrophobicContact CB-CE1 3.99Å; F763-F799 HydrophobicContact CB-CG 4.48Å; F763-F799 HydrophobicContact CD2-CD1 4.2Å; F763-F799 AromaticContact CD2-CE1 3.7Å; F763-F799 HydrophobicContact CD2-CE1 3.7Å; F763-F799 HydrophobicContact CD2-CE2 4.2Å; F763-F799 AromaticContact CD2-CZ 3.7Å; F763-F799 HydrophobicContact CD2-CZ 3.7Å; F763-F799 HydrophobicContact CE2-CE1 4.42Å; F763-F799 HydrophobicContact CE2-CZ 4.08Å; F763-F799 HydrophobicContact CG-CD1 4.29Å; F763-F799 AromaticContact CG-CE1 3.95Å; F763-F799 HydrophobicContact CG-CE1 3.95Å; F763-F799 HydrophobicContact CG-CZ 4.4Å; F763-F799 CarbonylContact O-C 3.59Å; F763-F799 WeakPolarHBondContact O-CA 3.15Å; F765-F799 HydrophobicContact CE2-CD1 4Å; F765-F799 HydrophobicContact CE2-CE1 4.49Å; M783-F799 HydrophobicContact CG-CD1 4.39Å; M783-F799 HydrophobicContact CG-CD2 4.16Å; M783-F799 HydrophobicContact CG-CE1 4.48Å; M783-F799 HydrophobicContact CG-CE2 4.24Å; M783-F799 HydrophobicContact CG-CG 4.26Å; M783-F799 HydrophobicContact CG-CZ 4.41Å; M783-F799 HydrophobicContact SD-CB 4.46Å; M783-F799 HydrophobicContact SD-CD1 4.17Å; M783-F799 HydrophobicContact SD-CG 4.19Å; C797-F799 HydrophobicContact CB-CD2 4.4Å; C797-F799 HydrophobicContact CB-CE2 3.75Å; C797-F799 HydrophobicContact CB-CZ 4.48Å; F799-F801 HydrophobicContact CB-CE2 4.28Å
800V95.4Very high85.1Confident2 Ų234 Ų341%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-129.1108.3179.5-177.70000109.2L694 F696 T708 L762 F763 I764 F765 V798 L802L694-V800 HydrophobicContact CB-CG2 4.48Å; L694-V800 WeakPolarHBondContact O-CA 3.36Å; F696-V800 HydrophobicContact CD1-CG1 4.49Å; F696-V800 HydrophobicContact CD2-CG1 4.31Å; F696-V800 HydrophobicContact CE1-CG1 4.34Å; F696-V800 HydrophobicContact CE2-CG1 4.12Å; F696-V800 HydrophobicContact CG-CG1 4.49Å; F696-V800 HydrophobicContact CZ-CG1 4.15Å; T708-V800 HydrophobicContact CG2-CG1 4.42Å; L762-V800 HydrophobicContact CD1-CG2 3.78Å; F763-V800 PolarHBondContact O-N 3.39Å; I764-V800 CarbonylContact C-O 3.5Å; I764-V800 WeakPolarHBondContact CA-O 3.33Å; I764-V800 HydrophobicContact CG1-CB 4.46Å; F765-V800 PolarHBondContact N-O 3.01Å; V798-V800 HydrophobicContact CG1-CG2 4.19Å; V800-L802 HydrophobicContact CG1-CD2 3.59Å; V800-L802 HydrophobicContact CG1-CG 4.38Å
801F93.9Very high86.7Confident0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans-92.3134.3173.4-63.7-74.5000109.9V693 L694 S695 F696 F765 V768 L776 I779 M783 F799 L852V693-F801 HydrophobicContact CG1-CD2 3.9Å; V693-F801 HydrophobicContact CG1-CE2 3.62Å; L694-F801 PolarHBondContact O-N 3.34Å; S695-F801 CarbonylContact C-O 3.6Å; S695-F801 WeakPolarHBondContact CA-O 3.44Å; F696-F801 PolarHBondContact N-O 3.41Å; F765-F801 HydrophobicContact CB-CD1 3.61Å; F765-F801 HydrophobicContact CB-CE1 3.95Å; F765-F801 HydrophobicContact CD1-CE1 4.49Å; F765-F801 AromaticContact CD2-CD1 3.9Å; F765-F801 HydrophobicContact CD2-CD1 3.9Å; F765-F801 AromaticContact CD2-CE1 3.48Å; F765-F801 HydrophobicContact CD2-CE1 3.48Å; F765-F801 VanDerWaalsContact CD2-CE1 3.48Å; F765-F801 HydrophobicContact CD2-CZ 4.13Å; F765-F801 HydrophobicContact CE2-CE1 4.1Å; F765-F801 HydrophobicContact CE2-CZ 4.42Å; F765-F801 AromaticContact CG-CD1 3.93Å; F765-F801 HydrophobicContact CG-CD1 3.93Å; F765-F801 AromaticContact CG-CE1 3.72Å; F765-F801 HydrophobicContact CG-CE1 3.72Å; V768-F801 HydrophobicContact CG2-CB 4.26Å; V768-F801 HydrophobicContact CG2-CD1 4Å; L776-F801 HydrophobicContact CD1-CD1 4.4Å; L776-F801 HydrophobicContact CD1-CE1 4.21Å; L776-F801 HydrophobicContact CD2-CE1 3.87Å; I779-F801 HydrophobicContact CD1-CE1 4.5Å; I779-F801 HydrophobicContact CD1-CZ 4.32Å; M783-F801 HydrophobicContact CE-CZ 4.11Å; M783-F801 HydrophobicContact SD-CE2 3.87Å; M783-F801 HydrophobicContact SD-CZ 3.9Å; F799-F801 HydrophobicContact CB-CE2 4.28Å; F801-L852 HydrophobicContact CE2-CD1 4.37Å; F801-L852 HydrophobicContact CZ-CD1 4.01Å
802L94Very high88Confident0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-122.5129178.7-43.7175.7000109.1F696 N705 I764 F765 D766 E767 V768 V800F696-L802 HydrophobicContact CB-CD2 3.64Å; F696-L802 HydrophobicContact CD2-CD2 3.35Å; F696-L802 HydrophobicContact CE2-CD2 4.17Å; F696-L802 HydrophobicContact CG-CD2 3.69Å; N705-L802 WeakPolarHBondContact OD1-CD1 3.48Å; I764-L802 HydrophobicContact CG2-CD1 3.93Å; I764-L802 HydrophobicContact CG2-CG 4.43Å; F765-L802 PolarHBondContact O-N 2.05Å; D766-L802 HydrophobicContact CB-CD1 4.15Å; E767-L802 PolarHBondContact N-O 3.26Å; V768-L802 WeakPolarHBondContact CG2-O 3.4Å; V768-L802 PolarHBondContact N-O 3.37Å; V800-L802 HydrophobicContact CG1-CD2 3.59Å; V800-L802 HydrophobicContact CG1-CG 4.38Å
803S91.6Very high88.9Confident1 Ų123.3 Ų23.31%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-147.1151.7-175.3177.90000113.9F696 G698 K704 E769 T805F696-S803 PolarHBondContact O-N 3.47Å; G698-S803 PolarHBondContact N-O 2.71Å; K704-S803 WeakPolarHBondContact CD-O 3.49Å; K704-S803 WeakPolarHBondContact CE-O 3.42Å; K704-S803 PolarHBondContact NZ-O 2.96Å; K704-S803 VanDerWaalsContact NZ-O 3.15Å; E769-S803 WeakPolarHBondContact OE2-CA 3.46Å; E769-S803 VanDerWaalsContact OE2-CB 3.25Å; E769-S803 WeakPolarHBondContact OE2-CB 3.27Å; E769-S803 PolarHBondContact OE2-OG 2.75Å; S803-T805 WeakPolarHBondContact OG-CB 3.29Å; S803-T805 PolarHBondContact OG-N 2.71Å; S803-T805 PolarHBondContact OG-OG1 3.18Å; S803-T805 VanDerWaalsContact OG-OG1 3.09Å
804N89.6Confident89.4Confident51 Ų5120.2 Ų20.227%0.27311%0.105SC..SBendtrans-96.2-17.9174.9-62.3-65.3000114K704 E769 A806 G807K704-N804 PolarHBondContact NZ-OD1 3.1Å; E769-N804 WeakPolarHBondContact OE1-CB 3.19Å; E769-N804 PolarHBondContact OE1-N 3.34Å; E769-N804 PolarHBondContact OE1-ND2 3.16Å; E769-N804 PolarHBondContact OE2-N 2.79Å; N804-A806 PolarHBondContact O-N 2.9Å; N804-G807 WeakPolarHBondContact O-CA 3.25Å; N804-G807 PolarHBondContact O-N 3.25Å
805T82.2Confident89.7Confident16 Ų1621.6 Ų21.610%0.09811%0.11CC..THydrogen-bonded Turntrans-36.3-72.2-177.2-65.20000114.3E769 S803 G807 V840 E843E769-T805 WeakPolarHBondContact CB-OG1 3.39Å; S803-T805 WeakPolarHBondContact OG-CB 3.29Å; S803-T805 PolarHBondContact OG-N 2.71Å; S803-T805 PolarHBondContact OG-OG1 3.18Å; S803-T805 VanDerWaalsContact OG-OG1 3.09Å; T805-G807 PolarHBondContact O-N 3.21Å; T805-V840 HydrophobicContact CG2-CB 4.35Å; T805-V840 HydrophobicContact CG2-CG2 3.99Å; T805-E843 HydrophobicContact CG2-CB 3.65Å; T805-E843 HydrophobicContact CG2-CG 4.08Å; T805-E843 VanDerWaalsContact CG2-OE2 3.28Å; T805-E843 WeakPolarHBondContact CG2-OE2 3.15Å
806A84.2Confident89.9Confident0 Ų023.3 Ų23.30%012%0.12CC..THydrogen-bonded Turntrans-71.96.6-177.800000115.1H697 N804 S808 E809 I810 I836 S839 V840H697-A806 HydrophobicContact CB-CB 4.25Å; N804-A806 PolarHBondContact O-N 2.9Å; A806-S808 VanDerWaalsContact C-N 3.26Å; A806-S808 PolarHBondContact O-N 3.18Å; A806-E809 PolarHBondContact O-N 3.42Å; A806-I810 HydrophobicContact CB-CD1 4.18Å; A806-I810 HydrophobicContact CB-CG1 4.48Å; A806-I810 WeakPolarHBondContact O-CB 3.47Å; A806-I810 WeakPolarHBondContact O-CD1 3.47Å; A806-I810 WeakPolarHBondContact O-CG1 3.48Å; A806-I810 PolarHBondContact O-N 3.33Å; A806-I836 HydrophobicContact CB-CB 4.27Å; A806-I836 HydrophobicContact CB-CG1 3.96Å; A806-I836 HydrophobicContact CB-CG2 4.18Å; A806-S839 WeakPolarHBondContact CA-OG 3.35Å; A806-V840 HydrophobicContact CB-CG2 3.96Å
807G86.9Confident90Very high1 Ų121 Ų211%0.0111%0.108CC..Hα-helixtrans-60.9-33.6-178.900000113.7N804 T805 A811N804-G807 WeakPolarHBondContact O-CA 3.25Å; N804-G807 PolarHBondContact O-N 3.25Å; T805-G807 PolarHBondContact O-N 3.21Å; G807-A811 VanDerWaalsContact O-CB 3.32Å; G807-A811 WeakPolarHBondContact O-CB 3.31Å; G807-A811 PolarHBondContact O-N 3.3Å; G807-A811 VanDerWaalsContact O-N 3.16Å
808S87.4Confident89.9Confident53 Ų5325.8 Ų25.837%0.37113%0.126SC..Hα-helixtrans-65.3-51.3176.151.70000111.7A806 A811 K812A806-S808 VanDerWaalsContact C-N 3.26Å; A806-S808 PolarHBondContact O-N 3.18Å; S808-A811 PolarHBondContact O-N 3.26Å; S808-K812 PolarHBondContact O-N 3.14Å
809E87.9Confident89.7Confident61 Ų6132.1 Ų32.129%0.28515%0.153SC..Hα-helixtrans-72.4-36.9-176.7-161.761.3-152.900111.9A806 A811 K812 S813 A835A806-E809 PolarHBondContact O-N 3.42Å; E809-A811 VanDerWaalsContact C-N 3.32Å; E809-A811 PolarHBondContact O-N 3.49Å; E809-K812 PolarHBondContact O-N 2.93Å; E809-K812 IonicContact OE1-NZ 2.66Å; E809-K812 PolarHBondContact OE1-NZ 2.81Å; E809-K812 IonicContact OE2-NZ 3.37Å; E809-K812 PolarHBondContact OE2-NZ 3.09Å; E809-S813 WeakPolarHBondContact O-CB 3.43Å; E809-S813 PolarHBondContact O-N 3.1Å; E809-A835 HydrophobicContact CG-CB 4.05Å
810I90.7Very high89.5Confident2 Ų238.2 Ų38.21%0.0118%0.182CC..Hα-helixtrans-57-47.3169.6-67.3161.9000109.9H697 A806 T814 I832 I836 L865H697-I810 HydrophobicContact CB-CD1 4.09Å; A806-I810 HydrophobicContact CB-CD1 4.18Å; A806-I810 HydrophobicContact CB-CG1 4.48Å; A806-I810 WeakPolarHBondContact O-CB 3.47Å; A806-I810 WeakPolarHBondContact O-CD1 3.47Å; A806-I810 WeakPolarHBondContact O-CG1 3.48Å; A806-I810 PolarHBondContact O-N 3.33Å; I810-T814 WeakPolarHBondContact O-CB 3.5Å; I810-T814 PolarHBondContact O-N 3.18Å; I810-T814 PolarHBondContact O-OG1 3.26Å; I810-I832 HydrophobicContact CG1-CG2 3.83Å; I810-I836 HydrophobicContact CD1-CD1 3.8Å; I810-I836 HydrophobicContact CD1-CG1 3.89Å; I810-I836 HydrophobicContact CG1-CD1 4.09Å; I810-I836 HydrophobicContact CG1-CG1 3.87Å; I810-L865 HydrophobicContact CG2-CD2 4.13Å
811A89.3Confident89.1Confident8 Ų841.3 Ų41.37%0.06622%0.215CC..Hα-helixtrans-66.1-39.2-179.500000112.6G807 S808 E809 Y815 P866 F904G807-A811 VanDerWaalsContact O-CB 3.32Å; G807-A811 WeakPolarHBondContact O-CB 3.31Å; G807-A811 PolarHBondContact O-N 3.3Å; G807-A811 VanDerWaalsContact O-N 3.16Å; S808-A811 PolarHBondContact O-N 3.26Å; E809-A811 VanDerWaalsContact C-N 3.32Å; E809-A811 PolarHBondContact O-N 3.49Å; A811-Y815 WeakPolarHBondContact O-CB 3.2Å; A811-Y815 PolarHBondContact O-N 3.49Å; A811-P866 HydrophobicContact CB-CG 4.49Å; A811-F904 HydrophobicContact CB-CE2 4Å; A811-F904 HydrophobicContact CB-CZ 4.25Å
812K89.6Confident88.9Confident97 Ų9744.9 Ų44.942%0.42223%0.228SC..Hα-helixtrans-62.9-51.6174.7175.6-179.1155-132.90111.8S808 E809 T814 Y815 E816S808-K812 PolarHBondContact O-N 3.14Å; E809-K812 PolarHBondContact O-N 2.93Å; E809-K812 IonicContact OE1-NZ 2.66Å; E809-K812 PolarHBondContact OE1-NZ 2.81Å; E809-K812 IonicContact OE2-NZ 3.37Å; E809-K812 PolarHBondContact OE2-NZ 3.09Å; K812-T814 VanDerWaalsContact C-N 3.32Å; K812-T814 PolarHBondContact O-N 2.88Å; K812-Y815 PolarHBondContact O-N 2.92Å; K812-Y815 VanDerWaalsContact O-N 3.13Å; K812-E816 WeakPolarHBondContact CE-OE1 3.13Å; K812-E816 WeakPolarHBondContact CG-OE1 3.45Å; K812-E816 WeakPolarHBondContact O-CG 3.17Å; K812-E816 PolarHBondContact O-N 3.47Å
813S88.8Confident88.6Confident17 Ų1753.5 Ų53.512%0.11926%0.261CS..Hα-helixtrans-58.5-42176.6174.50000112E809 Y815 E816 A817E809-S813 WeakPolarHBondContact O-CB 3.43Å; E809-S813 PolarHBondContact O-N 3.1Å; S813-Y815 PolarHBondContact O-N 3.48Å; S813-E816 PolarHBondContact O-N 3.26Å; S813-A817 PolarHBondContact O-N 3.31Å
814T90.3Very high88.4Confident1 Ų153.8 Ų53.81%0.00626%0.262CS..Hα-helixtrans-62.3-42175.5-470000111.7I810 K812 A817 W818 R824 I827 L865 P866 Y911I810-T814 WeakPolarHBondContact O-CB 3.5Å; I810-T814 PolarHBondContact O-N 3.18Å; I810-T814 PolarHBondContact O-OG1 3.26Å; K812-T814 VanDerWaalsContact C-N 3.32Å; K812-T814 PolarHBondContact O-N 2.88Å; T814-A817 PolarHBondContact O-N 3.07Å; T814-W818 PolarHBondContact O-N 3.3Å; T814-R824 HydrophobicContact CG2-CG 4.24Å; T814-I827 HydrophobicContact CG2-CD1 3.7Å; T814-L865 HydrophobicContact CG2-CD2 4.48Å; T814-P866 HydrophobicContact CG2-CG 3.96Å; T814-Y911 HydrophobicContact CG2-CE1 4.31Å; T814-Y911 WeakPolarHBondContact CG2-OH 3.17Å; T814-Y911 PolarHBondContact O-OH 2.83Å
815Y90.1Very high88.3Confident36 Ų3655.8 Ų55.814%0.14127%0.269CS..Hα-helixtrans-70.7-32.9178177.7-117.3000112.9A811 K812 S813 W818 K819 P905 D907A811-Y815 WeakPolarHBondContact O-CB 3.2Å; A811-Y815 PolarHBondContact O-N 3.49Å; K812-Y815 PolarHBondContact O-N 2.92Å; K812-Y815 VanDerWaalsContact O-N 3.13Å; S813-Y815 PolarHBondContact O-N 3.48Å; Y815-W818 HydrophobicContact CD2-CE3 4.17Å; Y815-W818 HydrophobicContact CE2-CE3 4.09Å; Y815-W818 HydrophobicContact CE2-CZ3 4.23Å; Y815-W818 PolarHBondContact O-N 2.86Å; Y815-K819 HydrophobicContact CE1-CD 4.17Å; Y815-K819 VanDerWaalsContact CE1-NZ 3.29Å; Y815-K819 PolarHBondContact O-N 3.47Å; Y815-K819 WeakPolarHBondContact OH-CE 3.5Å; Y815-K819 PolarHBondContact OH-NZ 2.94Å; Y815-P905 HydrophobicContact CD1-CG 4.46Å; Y815-P905 HydrophobicContact CD2-CG 3.82Å; Y815-P905 HydrophobicContact CE1-CG 4.11Å; Y815-P905 HydrophobicContact CE2-CG 3.41Å; Y815-P905 VanDerWaalsContact CE2-CG 3.41Å; Y815-P905 HydrophobicContact CG-CG 4.32Å; Y815-D907 PolarHBondContact OH-OD2 2.89Å
816E89.4Confident88.7Confident92 Ų9259.8 Ų59.843%0.4329%0.29SS..Hα-helixtrans-66.9-41.5171.8-73.8174.4-16800111.8K812 S813 K819 Q820K812-E816 WeakPolarHBondContact CE-OE1 3.13Å; K812-E816 WeakPolarHBondContact CG-OE1 3.45Å; K812-E816 WeakPolarHBondContact O-CG 3.17Å; K812-E816 PolarHBondContact O-N 3.47Å; S813-E816 PolarHBondContact O-N 3.26Å; E816-K819 PolarHBondContact O-N 3.05Å; E816-Q820 WeakPolarHBondContact O-CG 3.42Å; E816-Q820 PolarHBondContact O-N 2.85Å; E816-Q820 VanDerWaalsContact O-N 3.17Å
817A88.9Confident88.9Confident1 Ų160 Ų601%0.00829%0.291CS..Hα-helixtrans-61.7-41.9171.900000111.9S813 T814 Q820 G821 R822 I827S813-A817 PolarHBondContact O-N 3.31Å; T814-A817 PolarHBondContact O-N 3.07Å; A817-Q820 WeakPolarHBondContact O-CB 3.15Å; A817-Q820 PolarHBondContact O-N 3.38Å; A817-Q820 VanDerWaalsContact O-N 3.15Å; A817-G821 PolarHBondContact O-N 2.9Å; A817-R822 WeakPolarHBondContact O-CB 3.2Å; A817-R822 PolarHBondContact O-N 3.07Å; A817-R822 VanDerWaalsContact O-N 3.15Å; A817-I827 HydrophobicContact CB-CD1 4.04Å; A817-I827 HydrophobicContact CB-CG1 4.16Å
818W89.7Confident89Confident102 Ų10262.6 Ų62.639%0.38631%0.309SS..Hα-helixtrans-62.1-41.7174.6-178.887.3000112.5T814 Y815 Q820 G821 V908 L910T814-W818 PolarHBondContact O-N 3.3Å; Y815-W818 HydrophobicContact CD2-CE3 4.17Å; Y815-W818 HydrophobicContact CE2-CE3 4.09Å; Y815-W818 HydrophobicContact CE2-CZ3 4.23Å; Y815-W818 PolarHBondContact O-N 2.86Å; W818-Q820 PolarHBondContact O-N 3.33Å; W818-G821 PolarHBondContact O-N 2.96Å; W818-V908 HydrophobicContact CH2-CG1 3.75Å; W818-V908 HydrophobicContact CH2-CG2 4.03Å; W818-V908 HydrophobicContact CZ2-CG1 4.02Å; W818-V908 HydrophobicContact CZ3-CG1 4.42Å; W818-V908 HydrophobicContact CZ3-CG2 4.15Å; W818-L910 HydrophobicContact CB-CD2 4.36Å; W818-L910 HydrophobicContact CD2-CD2 3.68Å; W818-L910 HydrophobicContact CE3-CD2 4.37Å; W818-L910 HydrophobicContact CG-CD2 3.63Å; W818-L910 HydrophobicContact CZ2-CD2 4.46Å
819K89Confident89Confident133 Ų13362.3 Ų62.358%0.57830%0.303SS*.Hα-helixtrans-60.6-28.6173.7-82.8-177.1171.3171.20113.6Y815 E816 G821Y815-K819 HydrophobicContact CE1-CD 4.17Å; Y815-K819 VanDerWaalsContact CE1-NZ 3.29Å; Y815-K819 PolarHBondContact O-N 3.47Å; Y815-K819 WeakPolarHBondContact OH-CE 3.5Å; Y815-K819 PolarHBondContact OH-NZ 2.94Å; E816-K819 PolarHBondContact O-N 3.05Å; K819-G821 PolarHBondContact O-N 3.18Å
820Q90.5Very high88.9Confident128 Ų12866.4 Ų66.460%0.59832%0.322SS*.THydrogen-bonded Turntrans-79.80.1174.4-65.8165.9-1.900113E816 A817 W818 R822E816-Q820 WeakPolarHBondContact O-CG 3.42Å; E816-Q820 PolarHBondContact O-N 2.85Å; E816-Q820 VanDerWaalsContact O-N 3.17Å; A817-Q820 WeakPolarHBondContact O-CB 3.15Å; A817-Q820 PolarHBondContact O-N 3.38Å; A817-Q820 VanDerWaalsContact O-N 3.15Å; W818-Q820 PolarHBondContact O-N 3.33Å; Q820-R822 VanDerWaalsContact C-N 3.27Å; Q820-R822 PolarHBondContact O-N 3.04Å; Q820-R822 VanDerWaalsContact OE1-NE 3.07Å
821G87.7Confident88.6Confident68 Ų6869.6 Ų69.670%0.70134%0.337SS*.THydrogen-bonded Turntrans75.89.7-176.300000114.5A817 W818 K819A817-G821 PolarHBondContact O-N 2.9Å; W818-G821 PolarHBondContact O-N 2.96Å; K819-G821 PolarHBondContact O-N 3.18Å
822R89.4Confident88.5Confident74 Ų7469.2 Ų69.228%0.27933%0.334SS..  trans-76.2145.2172.5-65.4-167.1-77.6148.4-6.4110A817 Q820 E831A817-R822 WeakPolarHBondContact O-CB 3.2Å; A817-R822 PolarHBondContact O-N 3.07Å; A817-R822 VanDerWaalsContact O-N 3.15Å; Q820-R822 VanDerWaalsContact C-N 3.27Å; Q820-R822 PolarHBondContact O-N 3.04Å; Q820-R822 VanDerWaalsContact OE1-NE 3.07Å; R822-E831 IonicContact CZ-OE1 3.36Å; R822-E831 IonicContact CZ-OE2 3.83Å; R822-E831 IonicContact NH1-OE1 3.11Å; R822-E831 PolarHBondContact NH1-OE1 3.19Å; R822-E831 VanDerWaalsContact NH1-OE1 3.11Å; R822-E831 IonicContact NH1-OE2 2.83Å; R822-E831 PolarHBondContact NH1-OE2 3.31Å; R822-E831 IonicContact NH2-OE1 2.71Å; R822-E831 PolarHBondContact NH2-OE1 3.29Å; R822-E831 IonicContact NH2-OE2 3.91Å
823R87.2Confident88.3Confident182 Ų18267 Ų6769%0.68733%0.325SS*.  trans-78.9155.3174.6-55.1-179.4176.5-173.3-0.6109.7E825 D826R823-E825 PolarHBondContact O-N 2.93Å; R823-D826 VanDerWaalsContact CB-OD2 3.23Å; R823-D826 WeakPolarHBondContact CB-OD2 3.37Å; R823-D826 PolarHBondContact N-OD2 3.01Å; R823-D826 WeakPolarHBondContact O-CB 3.28Å; R823-D826 PolarHBondContact O-N 3.42Å
824R87.8Confident88Confident7 Ų772.8 Ų72.83%0.02635%0.348CS..G310 helixtrans-62.3-28.2178.5-175.4-179.1161.1-68.2-6.2112.3G667 H669 T814 D826 L865 P866 E868G667-R824 VanDerWaalsContact O-CZ 3.3Å; G667-R824 PolarHBondContact O-NH1 2.91Å; G667-R824 PolarHBondContact O-NH2 3.37Å; H669-R824 PolarHBondContact CE1-O 3.15Å; H669-R824 VanDerWaalsContact CE1-O 3.23Å; T814-R824 HydrophobicContact CG2-CG 4.24Å; R824-D826 VanDerWaalsContact C-N 3.34Å; R824-L865 HydrophobicContact CG-CD1 4.22Å; R824-P866 PolarHBondContact NE-O 2.74Å; R824-P866 PolarHBondContact NH2-O 2.95Å; R824-E868 WeakPolarHBondContact CB-OE1 3.1Å; R824-E868 VanDerWaalsContact CD-CD 3.43Å; R824-E868 WeakPolarHBondContact CD-OE1 3.27Å
825E88.4Confident87.6Confident92 Ų9273.7 Ų73.743%0.4336%0.355SS..G310 helixtrans-78.5-15.1177.5-64.660.9-12700113.4R823 I827R823-E825 PolarHBondContact O-N 2.93Å; E825-I827 VanDerWaalsContact C-N 3.35Å
826D88.9Confident87.3Confident100 Ų10072 Ų7254%0.53535%0.349SS..G310 helixtrans-87.2-7179-54.8-35.6000112.2R823 R824 S828R823-D826 VanDerWaalsContact CB-OD2 3.23Å; R823-D826 WeakPolarHBondContact CB-OD2 3.37Å; R823-D826 PolarHBondContact N-OD2 3.01Å; R823-D826 WeakPolarHBondContact O-CB 3.28Å; R823-D826 PolarHBondContact O-N 3.42Å; R824-D826 VanDerWaalsContact C-N 3.34Å; D826-S828 PolarHBondContact O-N 3.43Å
827I88.8Confident87Confident4 Ų470 Ų702%0.02134%0.343CS..  trans-77.3123-174.9-50.2171000109.9T814 A817 E825 I832T814-I827 HydrophobicContact CG2-CD1 3.7Å; A817-I827 HydrophobicContact CB-CD1 4.04Å; A817-I827 HydrophobicContact CB-CG1 4.16Å; E825-I827 VanDerWaalsContact C-N 3.35Å; I827-I832 HydrophobicContact CB-CD1 4.46Å; I827-I832 HydrophobicContact CG2-CD1 3.52Å; I827-I832 HydrophobicContact CG2-CG1 3.86Å
828S88.5Confident86.6Confident57 Ų5775.1 Ų75.140%0.39937%0.367SS..  trans-80.2152.2-177.877.20000112.8D826 H830 E831D826-S828 PolarHBondContact O-N 3.43Å; S828-H830 VanDerWaalsContact C-N 3.29Å; S828-H830 PolarHBondContact O-N 3.29Å; S828-E831 PolarHBondContact O-N 2.96Å; S828-E831 WeakPolarHBondContact OG-CB 3.17Å; S828-E831 PolarHBondContact OG-N 3.43Å
829L88.1Confident86.1Confident46 Ų4671 Ų7124%0.24135%0.354CS..Hα-helixtrans-55.3-45173.9178.861.6000111.8L670 T674 E831 I832 E833 P863L670-L829 HydrophobicContact CD2-CB 4.34Å; T674-L829 HydrophobicContact CG2-CD2 4.41Å; L829-E831 VanDerWaalsContact C-N 3.33Å; L829-E831 PolarHBondContact O-N 3.29Å; L829-I832 PolarHBondContact O-N 3.13Å; L829-E833 VanDerWaalsContact O-CB 3.26Å; L829-E833 WeakPolarHBondContact O-CB 3.37Å; L829-E833 PolarHBondContact O-N 3.07Å; L829-P863 HydrophobicContact CD1-CG 3.6Å
830H86.2Confident85.5Confident147 Ų14764.8 Ų64.868%0.68133%0.327SS*.Hα-helixtrans-67.3-31.9-172.8-165.659.7000113.3S828 E833S828-H830 VanDerWaalsContact C-N 3.29Å; S828-H830 PolarHBondContact O-N 3.29Å; H830-E833 IonicContact ND1-OE2 3.85Å
831E84.6Confident84.8Confident70 Ų7062 Ų6233%0.32731%0.313SS..Hα-helixtrans-63.3-42.5175.6-176.3174.5-176.100111.6R822 S828 L829R822-E831 IonicContact CZ-OE1 3.36Å; R822-E831 IonicContact CZ-OE2 3.83Å; R822-E831 IonicContact NH1-OE1 3.11Å; R822-E831 PolarHBondContact NH1-OE1 3.19Å; R822-E831 VanDerWaalsContact NH1-OE1 3.11Å; R822-E831 IonicContact NH1-OE2 2.83Å; R822-E831 PolarHBondContact NH1-OE2 3.31Å; R822-E831 IonicContact NH2-OE1 2.71Å; R822-E831 PolarHBondContact NH2-OE1 3.29Å; R822-E831 IonicContact NH2-OE2 3.91Å; S828-E831 PolarHBondContact O-N 2.96Å; S828-E831 WeakPolarHBondContact OG-CB 3.17Å; S828-E831 PolarHBondContact OG-N 3.43Å; L829-E831 VanDerWaalsContact C-N 3.33Å; L829-E831 PolarHBondContact O-N 3.29Å
832I86.6Confident84.3Confident0 Ų063.3 Ų63.30%030%0.304CS..Hα-helixtrans-84.4-35.8-178.8-61.3162000111.9L670 I810 I827 L829 K834 A835 I836 P863 L865L670-I832 HydrophobicContact CD1-CD1 3.9Å; I810-I832 HydrophobicContact CG1-CG2 3.83Å; I827-I832 HydrophobicContact CB-CD1 4.46Å; I827-I832 HydrophobicContact CG2-CD1 3.52Å; I827-I832 HydrophobicContact CG2-CG1 3.86Å; L829-I832 PolarHBondContact O-N 3.13Å; I832-K834 PolarHBondContact O-N 3.48Å; I832-A835 WeakPolarHBondContact O-CB 3.18Å; I832-A835 PolarHBondContact O-N 3.35Å; I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 HydrophobicContact CG2-CG1 4.02Å; I832-I836 PolarHBondContact O-N 3.22Å; I832-P863 HydrophobicContact CB-CB 4.46Å; I832-P863 HydrophobicContact CD1-CB 4.48Å; I832-P863 HydrophobicContact CG2-CB 3.76Å; I832-P863 HydrophobicContact CG2-CG 4.43Å; I832-L865 HydrophobicContact CD1-CD2 3.52Å
833E85.7Confident83.6Confident51 Ų5163.6 Ų63.624%0.23831%0.308CS..Hα-helixtrans-54.3-42-178.5178.8168.5-134.400111.8L829 H830 A835 I836 V837 F861L829-E833 VanDerWaalsContact O-CB 3.26Å; L829-E833 WeakPolarHBondContact O-CB 3.37Å; L829-E833 PolarHBondContact O-N 3.07Å; H830-E833 IonicContact ND1-OE2 3.85Å; E833-A835 PolarHBondContact O-N 2.67Å; E833-I836 PolarHBondContact O-N 2.67Å; E833-V837 WeakPolarHBondContact O-CG2 3.12Å; E833-V837 PolarHBondContact O-N 2.83Å; E833-F861 HydrophobicContact CG-CB 4.38Å
834K82.9Confident82.6Confident138 Ų13863.5 Ų63.560%0.631%0.313SS*.Hα-helixtrans-57.8-48.4174.2-176179.1173.9-176.30112.4I832 I836 V837 E838I832-K834 PolarHBondContact O-N 3.48Å; K834-I836 VanDerWaalsContact C-N 3.32Å; K834-I836 PolarHBondContact O-N 2.86Å; K834-V837 PolarHBondContact O-N 3.2Å; K834-E838 WeakPolarHBondContact CE-OE1 3.45Å; K834-E838 IonicContact NZ-OE1 3.92Å; K834-E838 WeakPolarHBondContact O-CG 3.45Å; K834-E838 PolarHBondContact O-N 3.03Å; K834-E838 VanDerWaalsContact O-N 3.08Å
835A81.8Confident81.6Confident19 Ų1964 Ų6416%0.15732%0.32CS..Hα-helixtrans-65.2-34.7179.400000112.5E809 I832 E833 S839E809-A835 HydrophobicContact CG-CB 4.05Å; I832-A835 WeakPolarHBondContact O-CB 3.18Å; I832-A835 PolarHBondContact O-N 3.35Å; E833-A835 PolarHBondContact O-N 2.67Å; A835-S839 VanDerWaalsContact O-CB 3.25Å; A835-S839 WeakPolarHBondContact O-CB 3.39Å; A835-S839 PolarHBondContact O-N 2.8Å
836I84.3Confident80.6Confident0 Ų059.6 Ų59.60%030%0.299CS..Hα-helixtrans-64.5-51.5173.4-68.3172.9000110.6H697 A806 I810 I832 E833 K834 E838 S839 V840 F861 P863H697-I836 HydrophobicContact CB-CD1 4.24Å; H697-I836 HydrophobicContact CB-CG2 4.22Å; A806-I836 HydrophobicContact CB-CB 4.27Å; A806-I836 HydrophobicContact CB-CG1 3.96Å; A806-I836 HydrophobicContact CB-CG2 4.18Å; I810-I836 HydrophobicContact CD1-CD1 3.8Å; I810-I836 HydrophobicContact CD1-CG1 3.89Å; I810-I836 HydrophobicContact CG1-CD1 4.09Å; I810-I836 HydrophobicContact CG1-CG1 3.87Å; I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 HydrophobicContact CG2-CG1 4.02Å; I832-I836 PolarHBondContact O-N 3.22Å; E833-I836 PolarHBondContact O-N 2.67Å; K834-I836 VanDerWaalsContact C-N 3.32Å; K834-I836 PolarHBondContact O-N 2.86Å; I836-E838 VanDerWaalsContact C-N 3.32Å; I836-E838 PolarHBondContact O-N 3.23Å; I836-S839 PolarHBondContact O-N 3.3Å; I836-V840 HydrophobicContact CG2-CG2 3.84Å; I836-V840 WeakPolarHBondContact O-CB 3.48Å; I836-V840 WeakPolarHBondContact O-CG2 3.41Å; I836-V840 PolarHBondContact O-N 2.83Å; I836-F861 HydrophobicContact CG2-CB 4.29Å; I836-F861 HydrophobicContact CG2-CD1 3.81Å; I836-F861 HydrophobicContact CG2-CG 4.31Å; I836-P863 HydrophobicContact CD1-CB 3.84Å
837V82.2Confident79.8Confident51 Ų5155.2 Ų55.231%0.30928%0.276SS..Hα-helixtrans-60.7-42.8-177173.10000111.1E833 K834 F841 F861E833-V837 WeakPolarHBondContact O-CG2 3.12Å; E833-V837 PolarHBondContact O-N 2.83Å; K834-V837 PolarHBondContact O-N 3.2Å; V837-F841 WeakPolarHBondContact O-CB 3.46Å; V837-F841 PolarHBondContact O-N 2.73Å; V837-F861 HydrophobicContact CG2-CD2 3.85Å; V837-F861 HydrophobicContact CG2-CE1 4.48Å; V837-F861 HydrophobicContact CG2-CE2 3.7Å; V837-F861 HydrophobicContact CG2-CG 4.32Å; V837-F861 HydrophobicContact CG2-CZ 4.03Å
838E79.9Confident78.8Confident108 Ų10857.1 Ų57.151%0.50529%0.285SS..Hα-helixtrans-66-39.5176.5-70.7176.5-168.100112.8K834 I836 N842K834-E838 WeakPolarHBondContact CE-OE1 3.45Å; K834-E838 IonicContact NZ-OE1 3.92Å; K834-E838 WeakPolarHBondContact O-CG 3.45Å; K834-E838 PolarHBondContact O-N 3.03Å; K834-E838 VanDerWaalsContact O-N 3.08Å; I836-E838 VanDerWaalsContact C-N 3.32Å; I836-E838 PolarHBondContact O-N 3.23Å; E838-N842 PolarHBondContact O-ND2 3.42Å
839S79.8Confident77.5Confident17 Ų1761.1 Ų61.112%0.11929%0.292CS..Hα-helixtrans-69.2-50.7177167.90000112.4A806 A835 I836 F841 N842 E843A806-S839 WeakPolarHBondContact CA-OG 3.35Å; A835-S839 VanDerWaalsContact O-CB 3.25Å; A835-S839 WeakPolarHBondContact O-CB 3.39Å; A835-S839 PolarHBondContact O-N 2.8Å; I836-S839 PolarHBondContact O-N 3.3Å; S839-F841 VanDerWaalsContact C-N 3.32Å; S839-F841 PolarHBondContact O-N 3.04Å; S839-N842 PolarHBondContact O-N 2.98Å; S839-E843 PolarHBondContact O-N 2.94Å
840V76.5Confident76.5Confident2 Ų259 Ų591%0.01228%0.281CS..Hα-helixtrans-68.7-30.3-171.8-178.90000112.3T805 A806 I836 N842 L847 I853T805-V840 HydrophobicContact CG2-CB 4.35Å; T805-V840 HydrophobicContact CG2-CG2 3.99Å; A806-V840 HydrophobicContact CB-CG2 3.96Å; I836-V840 HydrophobicContact CG2-CG2 3.84Å; I836-V840 WeakPolarHBondContact O-CB 3.48Å; I836-V840 WeakPolarHBondContact O-CG2 3.41Å; I836-V840 PolarHBondContact O-N 2.83Å; V840-N842 VanDerWaalsContact C-N 3.35Å; V840-L847 HydrophobicContact CG1-CB 3.9Å; V840-L847 HydrophobicContact CG1-CD1 3.65Å; V840-L847 HydrophobicContact CG1-CG 4.4Å; V840-I853 HydrophobicContact CB-CD1 4.28Å; V840-I853 HydrophobicContact CG1-CD1 3.57Å
841F76.4Confident75.6Confident68 Ų6855.6 Ų55.630%0.29827%0.265SS..Hα-helixtrans-70.2-31.4175.8-171.7-104.7000113.2V837 S839 Y849 I853V837-F841 WeakPolarHBondContact O-CB 3.46Å; V837-F841 PolarHBondContact O-N 2.73Å; S839-F841 VanDerWaalsContact C-N 3.32Å; S839-F841 PolarHBondContact O-N 3.04Å; F841-Y849 AromaticContact CE1-CD1 3.91Å; F841-Y849 HydrophobicContact CE1-CD1 3.91Å; F841-Y849 HydrophobicContact CE1-CE1 4.22Å; F841-Y849 AromaticContact CZ-CD1 3.9Å; F841-Y849 HydrophobicContact CZ-CD1 3.9Å; F841-Y849 PolarHBondContact O-N 2.88Å; F841-I853 HydrophobicContact CB-CG2 4.48Å; F841-I853 HydrophobicContact CD2-CB 4.3Å; F841-I853 HydrophobicContact CD2-CG2 3.91Å
842N75.6Confident74.6Confident97 Ų9752.3 Ų52.352%0.51925%0.25SC..Hα-helixtrans-96.4-34.4-171.2-74.4-51.9000114.3E838 S839 V840 Q848E838-N842 PolarHBondContact O-ND2 3.42Å; S839-N842 PolarHBondContact O-N 2.98Å; V840-N842 VanDerWaalsContact C-N 3.35Å; N842-Q848 PolarHBondContact O-NE2 2.76Å
843E74.6Confident73.3Confident79 Ų7953.2 Ų53.237%0.36925%0.254SS..SBendtrans-66.2150-180-84.8-162.3-166.400113.2T805 S839 Q848T805-E843 HydrophobicContact CG2-CB 3.65Å; T805-E843 HydrophobicContact CG2-CG 4.08Å; T805-E843 VanDerWaalsContact CG2-OE2 3.28Å; T805-E843 WeakPolarHBondContact CG2-OE2 3.15Å; S839-E843 PolarHBondContact O-N 2.94Å; E843-Q848 WeakPolarHBondContact O-CB 3.41Å; E843-Q848 WeakPolarHBondContact O-CG 3.25Å
844K66.2Low71.8Confident181 Ų18154 Ų5479%0.78727%0.265SS*.SBendtrans-76125178.6-67.3-179.7177.81790110.9
845G67.9Low71Confident16 Ų1654.1 Ų54.117%0.16526%0.262CS..SBendtrans163.8-169.8177.300000111.8E769 L847 Q848E769-G845 WeakPolarHBondContact O-CA 3.47Å; G845-L847 PolarHBondContact O-N 2.62Å; G845-L847 VanDerWaalsContact O-N 3.09Å; G845-Q848 WeakPolarHBondContact O-CB 3.44Å; G845-Q848 PolarHBondContact O-N 3.22Å
846G68Low70.6Confident0 Ų057.7 Ų57.70%029%0.286CS..THydrogen-bonded Turntrans-62.3-18.1-175.200000116V768 M771V768-G846 WeakPolarHBondContact O-CA 3.48Å; V768-G846 PolarHBondContact O-N 3.04Å; M771-G846 VanDerWaalsContact O-CA 3.23Å; M771-G846 WeakPolarHBondContact O-CA 3.12Å; M771-G846 PolarHBondContact O-N 2.79Å; M771-G846 VanDerWaalsContact O-N 3.09Å
847L70.3Confident70.4Confident8 Ų858 Ų584%0.04229%0.288CS..THydrogen-bonded Turntrans-99.2-5.2176.3-73.1169.3000114.2V768 L776 V840 G845 Y849 S850 L852 I853V768-L847 HydrophobicContact CG1-CD1 3.71Å; V768-L847 HydrophobicContact CG1-CD2 4.46Å; V768-L847 HydrophobicContact CG1-CG 3.59Å; L776-L847 HydrophobicContact CD1-CD2 3.85Å; L776-L847 HydrophobicContact CD1-CG 4.15Å; V840-L847 HydrophobicContact CG1-CB 3.9Å; V840-L847 HydrophobicContact CG1-CD1 3.65Å; V840-L847 HydrophobicContact CG1-CG 4.4Å; G845-L847 PolarHBondContact O-N 2.62Å; G845-L847 VanDerWaalsContact O-N 3.09Å; L847-Y849 PolarHBondContact O-N 2.85Å; L847-S850 VanDerWaalsContact O-CB 3.22Å; L847-S850 WeakPolarHBondContact O-CB 3.22Å; L847-S850 PolarHBondContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.44Å; L847-L852 HydrophobicContact CD2-CD1 4.22Å; L847-I853 HydrophobicContact CB-CD1 4.02Å; L847-I853 HydrophobicContact CD2-CD1 4.33Å
848Q69Low70.5Confident45 Ų4556.1 Ų56.121%0.2128%0.276CS..THydrogen-bonded Turntrans-60124.1-177.1-166.6-179.726.300110.9N842 E843 G845 S850N842-Q848 PolarHBondContact O-NE2 2.76Å; E843-Q848 WeakPolarHBondContact O-CB 3.41Å; E843-Q848 WeakPolarHBondContact O-CG 3.25Å; G845-Q848 WeakPolarHBondContact O-CB 3.44Å; G845-Q848 PolarHBondContact O-N 3.22Å; Q848-S850 PolarHBondContact O-N 2.96Å
849Y60.6Low70.9Confident141 Ų14153.4 Ų53.455%0.55327%0.265SS*.THydrogen-bonded Turntrans52.315.4-173.8-53.3-59.2000115.3F841 L847F841-Y849 AromaticContact CE1-CD1 3.91Å; F841-Y849 HydrophobicContact CE1-CD1 3.91Å; F841-Y849 HydrophobicContact CE1-CE1 4.22Å; F841-Y849 AromaticContact CZ-CD1 3.9Å; F841-Y849 HydrophobicContact CZ-CD1 3.9Å; F841-Y849 PolarHBondContact O-N 2.88Å; L847-Y849 PolarHBondContact O-N 2.85Å
850S67.6Low71.5Confident0 Ų055.8 Ų55.80%027%0.274CS..  trans-62.4147.8-171.563.20000112.5L847 Q848 L852 I853 S854L847-S850 VanDerWaalsContact O-CB 3.22Å; L847-S850 WeakPolarHBondContact O-CB 3.22Å; L847-S850 PolarHBondContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.44Å; Q848-S850 PolarHBondContact O-N 2.96Å; S850-L852 PolarHBondContact O-N 2.93Å; S850-I853 PolarHBondContact O-N 3.15Å; S850-S854 PolarHBondContact O-N 2.72Å; S850-S854 VanDerWaalsContact O-N 3.13Å; S850-S854 PolarHBondContact O-OG 2.91Å
851H68.2Low72.1Confident77 Ų7756.6 Ų56.636%0.35628%0.277SS..Hα-helixtrans-67.4-19173.1-68.7-51.6000112.8D777 K780 I853 S854 R855D777-H851 WeakPolarHBondContact OD1-CB 3.23Å; D777-H851 IonicContact OD1-CD2 2.67Å; D777-H851 IonicContact OD1-CG 2.96Å; D777-H851 PolarHBondContact OD1-N 2.77Å; K780-H851 HydrophobicContact CD-CB 4Å; H851-I853 VanDerWaalsContact C-N 3.35Å; H851-S854 WeakPolarHBondContact CA-OG 3.16Å; H851-R855 VanDerWaalsContact O-CB 3.24Å; H851-R855 WeakPolarHBondContact O-CB 3.19Å; H851-R855 WeakPolarHBondContact O-CG 3.49Å; H851-R855 PolarHBondContact O-N 3.38Å
852L62.3Low73Confident0 Ų053.4 Ų53.40%026%0.263CS..Hα-helixtrans-63.3-40.2174-55.7-170.9000112.1L776 K780 M783 F801 L847 S850 L857L776-L852 HydrophobicContact CB-CD1 3.97Å; L776-L852 HydrophobicContact CD1-CD1 4.32Å; K780-L852 HydrophobicContact CB-CD2 3.82Å; M783-L852 HydrophobicContact CE-CD1 3.97Å; M783-L852 HydrophobicContact CE-CD2 3.48Å; M783-L852 VanDerWaalsContact CE-CD2 3.48Å; M783-L852 HydrophobicContact CE-CG 4.4Å; M783-L852 HydrophobicContact SD-CD2 4.4Å; F801-L852 HydrophobicContact CE2-CD1 4.37Å; F801-L852 HydrophobicContact CZ-CD1 4.01Å; L847-L852 HydrophobicContact CD2-CD1 4.22Å; S850-L852 PolarHBondContact O-N 2.93Å; L852-L857 HydrophobicContact CD2-CD1 3.98Å; L852-L857 PolarHBondContact O-N 3.28Å
853I59.4Low73.8Confident19 Ų1948.8 Ų48.810%0.09724%0.238CC..Hα-helixtrans-84.3-47.8178.8-61.8171.6000110.3V840 F841 L847 S850 H851 R855 S856 I858V840-I853 HydrophobicContact CB-CD1 4.28Å; V840-I853 HydrophobicContact CG1-CD1 3.57Å; F841-I853 HydrophobicContact CB-CG2 4.48Å; F841-I853 HydrophobicContact CD2-CB 4.3Å; F841-I853 HydrophobicContact CD2-CG2 3.91Å; L847-I853 HydrophobicContact CB-CD1 4.02Å; L847-I853 HydrophobicContact CD2-CD1 4.33Å; S850-I853 PolarHBondContact O-N 3.15Å; H851-I853 VanDerWaalsContact C-N 3.35Å; I853-R855 PolarHBondContact O-N 3.48Å; I853-S856 PolarHBondContact O-N 2.67Å; I853-I858 HydrophobicContact CG1-CD1 4.03Å
854S55.4Low74.8Confident68 Ų6845 Ų4548%0.47622%0.221SC..Hα-helixtrans-67.9-17.8-176.9540000114.7S850 H851S850-S854 PolarHBondContact O-N 2.72Å; S850-S854 VanDerWaalsContact O-N 3.13Å; S850-S854 PolarHBondContact O-OG 2.91Å; H851-S854 WeakPolarHBondContact CA-OG 3.16Å
855R65.1Low76.1Confident140 Ų14036.5 Ų36.553%0.52818%0.184SC..THydrogen-bonded Turntrans-101.57.9169.4-63.1-175.2169-156.5-11.3114E784 H851 I853 L857E784-R855 IonicContact OE1-CZ 3.53Å; E784-R855 IonicContact OE1-NH1 2.71Å; E784-R855 PolarHBondContact OE1-NH1 3.09Å; H851-R855 VanDerWaalsContact O-CB 3.24Å; H851-R855 WeakPolarHBondContact O-CB 3.19Å; H851-R855 WeakPolarHBondContact O-CG 3.49Å; H851-R855 PolarHBondContact O-N 3.38Å; I853-R855 PolarHBondContact O-N 3.48Å; R855-L857 VanDerWaalsContact C-N 3.3Å; R855-L857 HydrophobicContact CB-CD1 4.43Å; R855-L857 HydrophobicContact CB-CD2 4.3Å; R855-L857 HydrophobicContact CB-CG 3.97Å; R855-L857 PolarHBondContact O-N 2.96Å
856S73.5Confident77.2Confident95 Ų9536 Ų3666%0.66418%0.178SC*.THydrogen-bonded Turntrans51.244.9-177.1-53.90000113.5I853I853-S856 PolarHBondContact O-N 2.67Å
857L79.7Confident78.4Confident7 Ų736.4 Ų36.44%0.03718%0.18CC..  trans-79.7-22.6179.3-61.2-178.6000112.5K690 V693 K780 M783 E784 L852 R855K690-L857 PolarHBondContact NZ-O 3.19Å; V693-L857 WeakPolarHBondContact CB-O 3.17Å; V693-L857 WeakPolarHBondContact CG2-O 3.17Å; K780-L857 HydrophobicContact CB-CD1 4.17Å; M783-L857 HydrophobicContact CB-CD1 4.45Å; E784-L857 HydrophobicContact CG-CD1 4.18Å; E784-L857 HydrophobicContact CG-CD2 4.17Å; L852-L857 HydrophobicContact CD2-CD1 3.98Å; L852-L857 PolarHBondContact O-N 3.28Å; R855-L857 VanDerWaalsContact C-N 3.3Å; R855-L857 HydrophobicContact CB-CD1 4.43Å; R855-L857 HydrophobicContact CB-CD2 4.3Å; R855-L857 HydrophobicContact CB-CG 3.97Å; R855-L857 PolarHBondContact O-N 2.96Å
858I84.7Confident79.4Confident11 Ų1137.9 Ų37.96%0.05619%0.187CC..  trans-74.4124.8170.4-59.7173.5000108.9V693 I853 F861V693-I858 HydrophobicContact CG1-CB 4.34Å; V693-I858 HydrophobicContact CG1-CG1 4.05Å; I853-I858 HydrophobicContact CG1-CD1 4.03Å; I858-F861 HydrophobicContact CB-CE1 4.43Å; I858-F861 HydrophobicContact CB-CE2 4.17Å; I858-F861 HydrophobicContact CB-CZ 3.89Å; I858-F861 HydrophobicContact CD1-CE1 3.74Å; I858-F861 HydrophobicContact CD1-CZ 3.76Å; I858-F861 HydrophobicContact CG1-CZ 4.4Å; I858-F861 HydrophobicContact CG2-CD1 4.29Å; I858-F861 HydrophobicContact CG2-CD2 4.24Å; I858-F861 HydrophobicContact CG2-CE1 4Å; I858-F861 HydrophobicContact CG2-CE2 3.93Å; I858-F861 HydrophobicContact CG2-CG 4.41Å; I858-F861 HydrophobicContact CG2-CZ 3.81Å
859D88Confident80.4Confident51 Ų5138.9 Ų38.927%0.27319%0.189SC..  trans-80-42.5-179.7-66.8-64.4000112.7K690 L692 V693K690-D859 WeakPolarHBondContact CE-OD1 3.42Å; K690-D859 WeakPolarHBondContact CE-OD2 3.41Å; K690-D859 IonicContact NZ-OD1 2.69Å; K690-D859 PolarHBondContact NZ-OD1 3.23Å; K690-D859 IonicContact NZ-OD2 2.67Å; K690-D859 PolarHBondContact NZ-OD2 3.16Å; L692-D859 HydrophobicContact CD1-CB 4.23Å; V693-D859 PolarHBondContact N-OD2 3.11Å; V693-D859 WeakPolarHBondContact O-CB 3.33Å; V693-D859 PolarHBondContact O-N 3.2Å
860H91.8Very high81.9Confident66 Ų6636.8 Ų36.831%0.30619%0.187SC..EExtended strand (participates in β ladder)trans-141.6119.4-173.6-59.3-53.4000111.6T674 A678 V693 L694 S695 V862T674-H860 HydrophobicContact CG2-CB 4.16Å; A678-H860 WeakPolarHBondContact CB-CD2 3.45Å; V693-H860 PolarHBondContact O-N 2.77Å; L694-H860 HydrophobicContact CD2-CB 3.93Å; S695-H860 PolarHBondContact N-O 3.09Å; H860-V862 HydrophobicContact CB-CG2 4.47Å
861F91Very high83Confident20 Ų2038 Ų389%0.08819%0.192CC..EExtended strand (participates in β ladder)trans-82.9122.5165.3-65.5-85.7000108.9H697 E833 I836 V837 I858 P863H697-F861 AromaticContact CD2-CD1 3.85Å; H697-F861 AromaticContact NE2-CD1 3.56Å; H697-F861 AromaticContact NE2-CE1 3.95Å; E833-F861 HydrophobicContact CG-CB 4.38Å; I836-F861 HydrophobicContact CG2-CB 4.29Å; I836-F861 HydrophobicContact CG2-CD1 3.81Å; I836-F861 HydrophobicContact CG2-CG 4.31Å; V837-F861 HydrophobicContact CG2-CD2 3.85Å; V837-F861 HydrophobicContact CG2-CE1 4.48Å; V837-F861 HydrophobicContact CG2-CE2 3.7Å; V837-F861 HydrophobicContact CG2-CG 4.32Å; V837-F861 HydrophobicContact CG2-CZ 4.03Å; I858-F861 HydrophobicContact CB-CE1 4.43Å; I858-F861 HydrophobicContact CB-CE2 4.17Å; I858-F861 HydrophobicContact CB-CZ 3.89Å; I858-F861 HydrophobicContact CD1-CE1 3.74Å; I858-F861 HydrophobicContact CD1-CZ 3.76Å; I858-F861 HydrophobicContact CG1-CZ 4.4Å; I858-F861 HydrophobicContact CG2-CD1 4.29Å; I858-F861 HydrophobicContact CG2-CD2 4.24Å; I858-F861 HydrophobicContact CG2-CE1 4Å; I858-F861 HydrophobicContact CG2-CE2 3.93Å; I858-F861 HydrophobicContact CG2-CG 4.41Å; I858-F861 HydrophobicContact CG2-CZ 3.81Å; F861-P863 WeakPolarHBondContact O-CD 3.4Å
862V93.7Very high84.1Confident0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-111.4103-172.6-179.90000109.2V671 T674 V675 S695 F696 H697 H860 F864V671-V862 HydrophobicContact CB-CG1 4.09Å; V671-V862 HydrophobicContact CG1-CG1 3.84Å; V671-V862 HydrophobicContact CG2-CG1 3.81Å; T674-V862 HydrophobicContact CG2-CG2 4.03Å; V675-V862 HydrophobicContact CG2-CG1 4.03Å; V675-V862 HydrophobicContact CG2-CG2 4.27Å; S695-V862 PolarHBondContact O-N 3.5Å; F696-V862 HydrophobicContact CD1-CB 3.61Å; F696-V862 HydrophobicContact CD1-CG1 4.01Å; F696-V862 HydrophobicContact CD1-CG2 3.84Å; F696-V862 HydrophobicContact CE1-CB 4.05Å; F696-V862 HydrophobicContact CE1-CG1 4.19Å; F696-V862 HydrophobicContact CE1-CG2 3.88Å; F696-V862 HydrophobicContact CG-CB 4.41Å; H697-V862 PolarHBondContact N-O 2.96Å; H860-V862 HydrophobicContact CB-CG2 4.47Å; V862-F864 HydrophobicContact CG1-CD2 4.41Å; V862-F864 HydrophobicContact CG1-CE2 3.87Å
863P93.5Very high85.5Confident0 Ų036.3 Ų36.30%018%0.184CC..EExtended strand (participates in β ladder)trans-75.9125.7179.928.8-34.3000112L670 V671 L829 I832 I836 F861L670-P863 HydrophobicContact CB-CG 4.2Å; L670-P863 HydrophobicContact CD1-CG 3.65Å; V671-P863 WeakPolarHBondContact CG2-O 3.3Å; L829-P863 HydrophobicContact CD1-CG 3.6Å; I832-P863 HydrophobicContact CB-CB 4.46Å; I832-P863 HydrophobicContact CD1-CB 4.48Å; I832-P863 HydrophobicContact CG2-CB 3.76Å; I832-P863 HydrophobicContact CG2-CG 4.43Å; I836-P863 HydrophobicContact CD1-CB 3.84Å; F861-P863 WeakPolarHBondContact O-CD 3.4Å
864F94.5Very high87.1Confident1 Ų138.8 Ų38.80%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-97.9100.1165.6-75-104.9000108.5Q668 V671 F696 H697 G702 G703 K704 V707 V862Q668-F864 HydrophobicContact CG-CD1 4.07Å; V671-F864 HydrophobicContact CB-CZ 4.41Å; V671-F864 HydrophobicContact CG1-CE1 4.06Å; V671-F864 HydrophobicContact CG1-CE2 4.06Å; V671-F864 HydrophobicContact CG1-CZ 3.58Å; V671-F864 HydrophobicContact CG2-CD1 4.07Å; V671-F864 HydrophobicContact CG2-CD2 3.97Å; V671-F864 HydrophobicContact CG2-CE1 4.02Å; V671-F864 HydrophobicContact CG2-CE2 3.89Å; V671-F864 HydrophobicContact CG2-CG 4.06Å; V671-F864 HydrophobicContact CG2-CZ 3.93Å; F696-F864 HydrophobicContact CB-CD2 4.18Å; F696-F864 HydrophobicContact CB-CE2 3.63Å; F696-F864 HydrophobicContact CD1-CE2 4.33Å; F696-F864 AromaticContact CD2-CE2 3.64Å; F696-F864 HydrophobicContact CD2-CE2 3.64Å; F696-F864 AromaticContact CD2-CZ 3.77Å; F696-F864 HydrophobicContact CD2-CZ 3.77Å; F696-F864 HydrophobicContact CE2-CE2 4.38Å; F696-F864 HydrophobicContact CE2-CZ 4.21Å; F696-F864 AromaticContact CG-CE2 3.62Å; F696-F864 HydrophobicContact CG-CE2 3.62Å; F696-F864 HydrophobicContact CG-CZ 4.24Å; H697-F864 PolarHBondContact O-N 3.03Å; G702-F864 WeakPolarHBondContact O-CD1 3.05Å; G703-F864 VanDerWaalsContact C-CE1 3.45Å; K704-F864 HydrophobicContact CG-CB 4.41Å; K704-F864 HydrophobicContact CG-CD1 4.15Å; K704-F864 HydrophobicContact CG-CD2 3.83Å; K704-F864 HydrophobicContact CG-CE1 4.37Å; K704-F864 HydrophobicContact CG-CE2 4.09Å; K704-F864 HydrophobicContact CG-CG 3.86Å; K704-F864 HydrophobicContact CG-CZ 4.34Å; V707-F864 HydrophobicContact CB-CE1 4.21Å; V707-F864 HydrophobicContact CB-CZ 3.95Å; V707-F864 HydrophobicContact CG1-CZ 4.34Å; V707-F864 HydrophobicContact CG2-CE1 3.68Å; V707-F864 HydrophobicContact CG2-CZ 3.87Å; V862-F864 HydrophobicContact CG1-CD2 4.41Å; V862-F864 HydrophobicContact CG1-CE2 3.87Å
865L93.1Very high88.8Confident1 Ų136.8 Ų36.81%0.00518%0.183CC..PPolyproline II helixtrans-62150.7178.1-68.4177.5000111.1Q668 H669 L670 I810 T814 R824 I832Q668-L865 PolarHBondContact NE2-O 3.48Å; H669-L865 VanDerWaalsContact CE1-CD1 3.5Å; H669-L865 WeakPolarHBondContact CE1-CD1 3.26Å; L670-L865 HydrophobicContact CD1-CD1 4.3Å; L670-L865 HydrophobicContact CD1-CG 4.49Å; I810-L865 HydrophobicContact CG2-CD2 4.13Å; T814-L865 HydrophobicContact CG2-CD2 4.48Å; R824-L865 HydrophobicContact CG-CD1 4.22Å; I832-L865 HydrophobicContact CD1-CD2 3.52Å
866P92Very high90Very high7 Ų730.1 Ų30.15%0.04516%0.158CC..PPolyproline II helixtrans-58.1149.1170.127.7-35.9000111.1A811 T814 R824 F904 Y911A811-P866 HydrophobicContact CB-CG 4.49Å; T814-P866 HydrophobicContact CG2-CG 3.96Å; R824-P866 PolarHBondContact NE-O 2.74Å; R824-P866 PolarHBondContact NH2-O 2.95Å; P866-F904 HydrophobicContact CB-CZ 4.26Å; P866-Y911 HydrophobicContact CB-CD1 3.79Å; P866-Y911 HydrophobicContact CB-CD2 4.2Å; P866-Y911 HydrophobicContact CB-CE1 4.39Å; P866-Y911 HydrophobicContact CB-CG 3.7Å; P866-Y911 HydrophobicContact CG-CD1 3.86Å; P866-Y911 HydrophobicContact CG-CD2 4.14Å; P866-Y911 HydrophobicContact CG-CE1 3.95Å; P866-Y911 HydrophobicContact CG-CE2 4.2Å; P866-Y911 HydrophobicContact CG-CG 3.97Å
867L92.7Very high90.8Very high8 Ų831.8 Ų31.84%0.04215%0.149CC..PPolyproline II helixtrans-96.8119.3-176.8-65.3178.6000110.5Y666 H871 Y911 S912Y666-L867 WeakPolarHBondContact O-CD2 3.43Å; L867-H871 HydrophobicContact CB-CB 4.36Å; L867-H871 HydrophobicContact CD2-CB 4.22Å; L867-Y911 CarbonylContact O-C 3.57Å; L867-Y911 WeakPolarHBondContact O-CA 3.23Å; L867-S912 PolarHBondContact O-N 3.23Å
868E92.1Very high91.3Very high39 Ų3933.3 Ų33.318%0.18216%0.158CC..BIsolated β-bridgetrans-70.9163.9173.9-58.9170.2167.700112.2R824 D870 H871 V872 L910 Y911R824-E868 WeakPolarHBondContact CB-OE1 3.1Å; R824-E868 VanDerWaalsContact CD-CD 3.43Å; R824-E868 WeakPolarHBondContact CD-OE1 3.27Å; E868-D870 VanDerWaalsContact C-N 3.26Å; E868-D870 PolarHBondContact O-N 3.35Å; E868-H871 PolarHBondContact N-ND1 3.17Å; E868-H871 WeakPolarHBondContact O-CB 3.43Å; E868-H871 PolarHBondContact O-N 2.69Å; E868-H871 IonicContact OE2-CE1 2.66Å; E868-H871 IonicContact OE2-ND1 3.76Å; E868-V872 PolarHBondContact O-N 3.49Å; E868-L910 WeakPolarHBondContact CA-O 3.4Å; E868-Y911 HydrophobicContact CG-CD1 3.81Å; E868-Y911 HydrophobicContact CG-CE1 3.71Å
869R90.4Very high91.5Very high66 Ų6634.1 Ų34.125%0.24916%0.161CC..Hα-helixtrans-52.3-37.4-179.9-176.8170.9175.7125.4-2.8114.2V872 K873 N895 D899 Y903 L910R869-V872 WeakPolarHBondContact O-CB 3.29Å; R869-V872 PolarHBondContact O-N 3.47Å; R869-K873 WeakPolarHBondContact O-CG 3.38Å; R869-K873 PolarHBondContact O-N 3.36Å; R869-K873 VanDerWaalsContact O-N 3.13Å; R869-N895 PolarHBondContact NH2-OD1 2.73Å; R869-D899 IonicContact CZ-OD1 2.69Å; R869-D899 IonicContact NH1-OD1 3.83Å; R869-D899 PolarHBondContact NH1-OD1 2.67Å; R869-D899 IonicContact NH2-OD1 3.53Å; R869-D899 PolarHBondContact NH2-OD1 2.72Å; R869-D899 IonicContact NH2-OD2 3.77Å; R869-D899 PolarHBondContact NH2-OD2 3.03Å; R869-Y903 HydrophobicContact CB-CE1 3.83Å; R869-Y903 HydrophobicContact CG-CE1 4.17Å; R869-L910 PolarHBondContact N-O 3.41Å
870D90.6Very high91.5Very high97 Ų9731.7 Ų31.752%0.51915%0.148SC..Hα-helixtrans-73.9-31.2179.9-71.1-27.2000113.2E868 V872 K873 L874E868-D870 VanDerWaalsContact C-N 3.26Å; E868-D870 PolarHBondContact O-N 3.35Å; D870-V872 VanDerWaalsContact C-N 3.31Å; D870-V872 PolarHBondContact O-N 3.28Å; D870-K873 PolarHBondContact O-N 2.82Å; D870-K873 WeakPolarHBondContact OD1-CD 3.36Å; D870-K873 WeakPolarHBondContact OD1-CE 3.19Å; D870-K873 IonicContact OD1-NZ 3.02Å; D870-K873 PolarHBondContact OD1-NZ 3Å; D870-L874 PolarHBondContact O-N 3.29Å
871H92.4Very high91.3Very high24 Ų2432.9 Ų32.911%0.11116%0.156CC..Hα-helixtrans-64.7-37.4170.9-60.1106.4000111.8G667 L867 E868 L874 C875G667-H871 WeakPolarHBondContact CA-CD2 3.47Å; G667-H871 VanDerWaalsContact CA-NE2 3.27Å; G667-H871 WeakPolarHBondContact CA-NE2 3.42Å; G667-H871 PolarHBondContact N-CD2 3.07Å; G667-H871 VanDerWaalsContact N-CD2 3.26Å; L867-H871 HydrophobicContact CB-CB 4.36Å; L867-H871 HydrophobicContact CD2-CB 4.22Å; E868-H871 PolarHBondContact N-ND1 3.17Å; E868-H871 WeakPolarHBondContact O-CB 3.43Å; E868-H871 PolarHBondContact O-N 2.69Å; E868-H871 IonicContact OE2-CE1 2.66Å; E868-H871 IonicContact OE2-ND1 3.76Å; H871-L874 PolarHBondContact O-N 3.12Å; H871-C875 PolarHBondContact O-N 2.95Å; H871-C875 VanDerWaalsContact O-N 3.13Å
872V91.3Very high91Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-65-40.7175.1171.20000111.5E868 R869 D870 L874 C875 I876 L901 I919E868-V872 PolarHBondContact O-N 3.49Å; R869-V872 WeakPolarHBondContact O-CB 3.29Å; R869-V872 PolarHBondContact O-N 3.47Å; D870-V872 VanDerWaalsContact C-N 3.31Å; D870-V872 PolarHBondContact O-N 3.28Å; V872-L874 VanDerWaalsContact C-N 3.29Å; V872-L874 PolarHBondContact O-N 3.26Å; V872-C875 WeakPolarHBondContact O-CB 3.5Å; V872-C875 PolarHBondContact O-N 2.97Å; V872-I876 HydrophobicContact CG1-CD1 3.94Å; V872-I876 WeakPolarHBondContact O-CG1 3.35Å; V872-I876 PolarHBondContact O-N 3.43Å; V872-L901 HydrophobicContact CG1-CD1 3.48Å; V872-L901 VanDerWaalsContact CG1-CD1 3.48Å; V872-I919 HydrophobicContact CG1-CD1 4.09Å
873K91.4Very high90.7Very high43 Ų4340.4 Ų40.419%0.18719%0.191CC..Hα-helixtrans-60.7-36.5173.6-67171.9-168.11610112.7R869 D870 I876 R877 L894 N895 A898R869-K873 WeakPolarHBondContact O-CG 3.38Å; R869-K873 PolarHBondContact O-N 3.36Å; R869-K873 VanDerWaalsContact O-N 3.13Å; D870-K873 PolarHBondContact O-N 2.82Å; D870-K873 WeakPolarHBondContact OD1-CD 3.36Å; D870-K873 WeakPolarHBondContact OD1-CE 3.19Å; D870-K873 IonicContact OD1-NZ 3.02Å; D870-K873 PolarHBondContact OD1-NZ 3Å; K873-I876 PolarHBondContact O-N 2.91Å; K873-R877 WeakPolarHBondContact O-CB 3.27Å; K873-R877 PolarHBondContact O-N 3.35Å; K873-L894 HydrophobicContact CB-CB 4.45Å; K873-L894 HydrophobicContact CG-CB 4.27Å; K873-N895 WeakPolarHBondContact CE-OD1 3.47Å; K873-N895 PolarHBondContact NZ-OD1 3.35Å; K873-A898 HydrophobicContact CG-CB 4.5Å
874L91.4Very high90.1Very high71 Ų7142.8 Ų42.837%0.37222%0.216SC..Hα-helixtrans-65.7-44.2174.7-65.1174.2000111.4Y666 D870 H871 V872 I876 R877 D878Y666-L874 HydrophobicContact CD1-CB 3.99Å; Y666-L874 HydrophobicContact CD1-CD1 3.77Å; Y666-L874 HydrophobicContact CD2-CB 3.52Å; Y666-L874 HydrophobicContact CE1-CB 4.16Å; Y666-L874 HydrophobicContact CE1-CD1 4.33Å; Y666-L874 HydrophobicContact CE2-CB 3.68Å; Y666-L874 HydrophobicContact CG-CB 3.69Å; Y666-L874 HydrophobicContact CG-CD1 3.98Å; D870-L874 PolarHBondContact O-N 3.29Å; H871-L874 PolarHBondContact O-N 3.12Å; V872-L874 VanDerWaalsContact C-N 3.29Å; V872-L874 PolarHBondContact O-N 3.26Å; L874-I876 PolarHBondContact O-N 3.2Å; L874-R877 PolarHBondContact O-N 3.48Å; L874-D878 PolarHBondContact O-N 2.89Å
875C91.4Very high89.4Confident25 Ų2545.7 Ų45.717%0.16923%0.227CC..Hα-helixtrans-59-42.5171.8-70.50000112.6H871 V872 R877 D878 E879 C916 I919H871-C875 PolarHBondContact O-N 2.95Å; H871-C875 VanDerWaalsContact O-N 3.13Å; V872-C875 WeakPolarHBondContact O-CB 3.5Å; V872-C875 PolarHBondContact O-N 2.97Å; C875-R877 VanDerWaalsContact C-N 3.34Å; C875-D878 PolarHBondContact O-N 3.46Å; C875-E879 WeakPolarHBondContact O-CB 3.42Å; C875-E879 PolarHBondContact O-N 3.41Å; C875-C916 HydrophobicContact CB-CB 3.8Å; C875-C916 WeakPolarHBondContact CB-SG 3.43Å; C875-C916 WeakPolarHBondContact SG-CB 3.18Å; C875-C916 CovalentContact SG-SG 2.05Å; C875-C916 PolarHBondContact SG-SG 3.39Å; C875-I919 HydrophobicContact CB-CD1 3.28Å
876I91.4Very high88.5Confident0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-61.6-43.2176.7-68.1162.2000110.7V872 K873 L874 E879 L880 L894 I897 A898 I919 V923V872-I876 HydrophobicContact CG1-CD1 3.94Å; V872-I876 WeakPolarHBondContact O-CG1 3.35Å; V872-I876 PolarHBondContact O-N 3.43Å; K873-I876 PolarHBondContact O-N 2.91Å; L874-I876 PolarHBondContact O-N 3.2Å; I876-E879 PolarHBondContact O-N 3.31Å; I876-L880 HydrophobicContact CG2-CD1 3.95Å; I876-L880 HydrophobicContact CG2-CG 4.47Å; I876-L880 WeakPolarHBondContact O-CG 3.42Å; I876-L880 PolarHBondContact O-N 3.23Å; I876-L894 HydrophobicContact CB-CD2 4.11Å; I876-L894 HydrophobicContact CG2-CD2 3.61Å; I876-I897 HydrophobicContact CD1-CB 4.07Å; I876-I897 HydrophobicContact CD1-CG2 3.76Å; I876-I897 HydrophobicContact CG1-CG2 3.96Å; I876-I897 HydrophobicContact CG2-CB 4.12Å; I876-I897 HydrophobicContact CG2-CD1 3.72Å; I876-I897 HydrophobicContact CG2-CG2 3.94Å; I876-A898 HydrophobicContact CD1-CB 3.99Å; I876-I919 HydrophobicContact CB-CG2 4.4Å; I876-I919 HydrophobicContact CG1-CD1 4.08Å; I876-I919 HydrophobicContact CG1-CG1 4.25Å; I876-I919 HydrophobicContact CG1-CG2 3.84Å; I876-V923 HydrophobicContact CG2-CG2 4.07Å
877R90.3Very high87.6Confident130 Ų13054 Ų5449%0.49129%0.286SS..Hα-helixtrans-61.9-47.6178.1-177.6-178.7-175.3175.63.5112.1K873 L874 C875 E879 L880 L881 I889 L894K873-R877 WeakPolarHBondContact O-CB 3.27Å; K873-R877 PolarHBondContact O-N 3.35Å; L874-R877 PolarHBondContact O-N 3.48Å; C875-R877 VanDerWaalsContact C-N 3.34Å; R877-E879 VanDerWaalsContact C-N 3.31Å; R877-E879 PolarHBondContact O-N 2.93Å; R877-L880 PolarHBondContact O-N 3.5Å; R877-L881 HydrophobicContact CG-CD1 4.19Å; R877-L881 VanDerWaalsContact O-CG 3.31Å; R877-L881 WeakPolarHBondContact O-CG 3.22Å; R877-L881 PolarHBondContact O-N 2.9Å; R877-L881 VanDerWaalsContact O-N 3.07Å; R877-I889 HydrophobicContact CG-CD1 4.17Å; R877-I889 HydrophobicContact CG-CG2 4.39Å; R877-L894 HydrophobicContact CB-CD2 4.25Å
878D89.1Confident86.9Confident40 Ų4057.6 Ų57.621%0.21431%0.312CS..Hα-helixtrans-63.9-38178.5-107.540.6000111.4Y666 L874 C875 L881 N882Y666-D878 PolarHBondContact OH-OD1 3.06Å; Y666-D878 PolarHBondContact OH-OD2 2.95Å; L874-D878 PolarHBondContact O-N 2.89Å; C875-D878 PolarHBondContact O-N 3.46Å; D878-L881 PolarHBondContact O-N 3.17Å; D878-N882 WeakPolarHBondContact O-CB 3.36Å; D878-N882 PolarHBondContact O-N 2.84Å; D878-N882 PolarHBondContact O-ND2 3.03Å
879E89Confident86.4Confident28 Ų2857.6 Ų57.613%0.13131%0.312CS..Hα-helixtrans-65.8-44.4175.9-179.156.1-149.800112.8C875 I876 R877 L881 N882 R883 I919 W920 V923C875-E879 WeakPolarHBondContact O-CB 3.42Å; C875-E879 PolarHBondContact O-N 3.41Å; I876-E879 PolarHBondContact O-N 3.31Å; R877-E879 VanDerWaalsContact C-N 3.31Å; R877-E879 PolarHBondContact O-N 2.93Å; E879-L881 VanDerWaalsContact C-N 3.32Å; E879-L881 PolarHBondContact O-N 2.84Å; E879-N882 PolarHBondContact O-N 3.31Å; E879-R883 WeakPolarHBondContact O-CG 3.31Å; E879-R883 PolarHBondContact O-N 2.77Å; E879-R883 WeakPolarHBondContact OE1-CD 3.43Å; E879-R883 IonicContact OE1-CZ 2.67Å; E879-R883 IonicContact OE1-NE 3.23Å; E879-R883 PolarHBondContact OE1-NE 3.03Å; E879-R883 IonicContact OE1-NH2 3.86Å; E879-I919 HydrophobicContact CB-CG2 3.97Å; E879-I919 HydrophobicContact CG-CG2 4.15Å; E879-W920 WeakPolarHBondContact OE1-CZ3 3.48Å; E879-V923 HydrophobicContact CB-CG2 4.27Å; E879-V923 HydrophobicContact CG-CB 3.87Å; E879-V923 HydrophobicContact CG-CG1 4.02Å; E879-V923 HydrophobicContact CG-CG2 3.88Å
880L88.8Confident86.1Confident0 Ų058.3 Ų58.30%032%0.321CS..Hα-helixtrans-58.1-43.8173.7-77.6165.3000111.7I876 R877 R883 G884 W885 I889 M893 L894 I897 V923 M927I876-L880 HydrophobicContact CG2-CD1 3.95Å; I876-L880 HydrophobicContact CG2-CG 4.47Å; I876-L880 WeakPolarHBondContact O-CG 3.42Å; I876-L880 PolarHBondContact O-N 3.23Å; R877-L880 PolarHBondContact O-N 3.5Å; L880-R883 PolarHBondContact O-N 2.82Å; L880-G884 PolarHBondContact O-N 2.8Å; L880-W885 HydrophobicContact CB-CB 4.18Å; L880-W885 HydrophobicContact CD2-CB 4.29Å; L880-W885 HydrophobicContact CD2-CD2 4.28Å; L880-W885 HydrophobicContact CD2-CE3 4.45Å; L880-W885 HydrophobicContact CD2-CG 4.21Å; L880-W885 VanDerWaalsContact O-CB 3.23Å; L880-W885 WeakPolarHBondContact O-CB 3.44Å; L880-W885 PolarHBondContact O-N 2.83Å; L880-I889 HydrophobicContact CB-CD1 4.06Å; L880-I889 HydrophobicContact CD1-CD1 4.46Å; L880-I889 HydrophobicContact CD1-CG2 4.06Å; L880-M893 HydrophobicContact CD1-SD 3.94Å; L880-L894 HydrophobicContact CD1-CD2 4.21Å; L880-I897 HydrophobicContact CD1-CD1 4.25Å; L880-V923 HydrophobicContact CD2-CG1 3.6Å; L880-V923 HydrophobicContact CG-CG1 3.91Å; L880-M927 HydrophobicContact CD2-CG 4.45Å; L880-M927 HydrophobicContact CD2-SD 4.39Å
881L87Confident85.8Confident91 Ų9162.4 Ų62.448%0.47633%0.334SS..Hα-helixtrans-66.6-41.9177.4-68.8171.6000112R877 D878 E879 R883 G884 I889R877-L881 HydrophobicContact CG-CD1 4.19Å; R877-L881 VanDerWaalsContact O-CG 3.31Å; R877-L881 WeakPolarHBondContact O-CG 3.22Å; R877-L881 PolarHBondContact O-N 2.9Å; R877-L881 VanDerWaalsContact O-N 3.07Å; D878-L881 PolarHBondContact O-N 3.17Å; E879-L881 VanDerWaalsContact C-N 3.32Å; E879-L881 PolarHBondContact O-N 2.84Å; L881-R883 VanDerWaalsContact C-N 3.26Å; L881-R883 PolarHBondContact O-N 3.05Å; L881-G884 PolarHBondContact O-N 3.39Å; L881-I889 HydrophobicContact CD2-CD1 3.81Å; L881-I889 HydrophobicContact CG-CD1 3.89Å
882N85.8Confident85.4Confident98 Ų9865.5 Ų65.552%0.52436%0.355SS..Hα-helixtrans-63.2-31176.8-71.9-33.7000112.7D878 E879 G884D878-N882 WeakPolarHBondContact O-CB 3.36Å; D878-N882 PolarHBondContact O-N 2.84Å; D878-N882 PolarHBondContact O-ND2 3.03Å; E879-N882 PolarHBondContact O-N 3.31Å; N882-G884 VanDerWaalsContact C-N 3.27Å; N882-G884 PolarHBondContact O-N 2.99Å
883R86Confident85.1Confident79 Ų7966.1 Ų66.130%0.29836%0.358SS..THydrogen-bonded Turntrans-80.9-0.4174.1-72.2179.4171.5-115.1-1.7114.4E879 L880 L881 W920 G924 M927E879-R883 WeakPolarHBondContact O-CG 3.31Å; E879-R883 PolarHBondContact O-N 2.77Å; E879-R883 WeakPolarHBondContact OE1-CD 3.43Å; E879-R883 IonicContact OE1-CZ 2.67Å; E879-R883 IonicContact OE1-NE 3.23Å; E879-R883 PolarHBondContact OE1-NE 3.03Å; E879-R883 IonicContact OE1-NH2 3.86Å; L880-R883 PolarHBondContact O-N 2.82Å; L881-R883 VanDerWaalsContact C-N 3.26Å; L881-R883 PolarHBondContact O-N 3.05Å; R883-W920 VanDerWaalsContact NH2-CD2 3.31Å; R883-W920 VanDerWaalsContact NH2-CZ2 3.28Å; R883-W920 PolarHBondContact NH2-O 3.27Å; R883-G924 VanDerWaalsContact NH1-CA 3.28Å; R883-M927 HydrophobicContact CB-CE 4.09Å; R883-M927 HydrophobicContact CB-SD 3.87Å; R883-M927 VanDerWaalsContact CD-SD 3.56Å; R883-M927 HydrophobicContact CG-SD 4.38Å
884G81.6Confident85Confident51 Ų5165 Ų6553%0.52635%0.354SS..THydrogen-bonded Turntrans76.727.3178.600000114.4L880 L881 N882 T886L880-G884 PolarHBondContact O-N 2.8Å; L881-G884 PolarHBondContact O-N 3.39Å; N882-G884 VanDerWaalsContact C-N 3.27Å; N882-G884 PolarHBondContact O-N 2.99Å; G884-T886 PolarHBondContact O-N 2.95Å; G884-T886 VanDerWaalsContact O-N 3.13Å
885W80.1Confident84.9Confident61 Ų6164.2 Ų64.223%0.23135%0.35CS..  trans-60114.9173.3-176.4-92.7000110.8L880 G887 M893 M927L880-W885 HydrophobicContact CB-CB 4.18Å; L880-W885 HydrophobicContact CD2-CB 4.29Å; L880-W885 HydrophobicContact CD2-CD2 4.28Å; L880-W885 HydrophobicContact CD2-CE3 4.45Å; L880-W885 HydrophobicContact CD2-CG 4.21Å; L880-W885 VanDerWaalsContact O-CB 3.23Å; L880-W885 WeakPolarHBondContact O-CB 3.44Å; L880-W885 PolarHBondContact O-N 2.83Å; W885-G887 VanDerWaalsContact CD1-O 3.26Å; W885-G887 PolarHBondContact NE1-O 2.9Å; W885-M893 HydrophobicContact CH2-CE 4.44Å; W885-M893 HydrophobicContact CZ2-CE 3.48Å; W885-M893 VanDerWaalsContact CZ2-CE 3.48Å; W885-M893 HydrophobicContact CZ2-SD 4.41Å; W885-M927 HydrophobicContact CE3-CE 4.17Å; W885-M927 HydrophobicContact CE3-CG 4Å; W885-M927 HydrophobicContact CE3-SD 4.38Å; W885-M927 HydrophobicContact CZ3-CG 4.13Å
886T74.5Confident84.8Confident147 Ų14766.9 Ų66.990%0.90236%0.36SS*.  trans-91.6-11.7-17751.20000114.2G884G884-T886 PolarHBondContact O-N 2.95Å; G884-T886 VanDerWaalsContact O-N 3.13Å
887G72Confident84.7Confident37 Ų3766.9 Ų66.938%0.38136%0.36SS..SBendtrans-77.2168.5179.300000113.6W885 I889W885-G887 VanDerWaalsContact CD1-O 3.26Å; W885-G887 PolarHBondContact NE1-O 2.9Å; G887-I889 PolarHBondContact O-N 2.86Å
888S77.7Confident84.6Confident83 Ų8360.7 Ų60.758%0.5834%0.337SS*.  trans-59.8133.2169.5-168.70000110.3D890 M893S888-D890 WeakPolarHBondContact CB-OD1 2.96Å; S888-D890 PolarHBondContact O-N 3.42Å; S888-D890 PolarHBondContact OG-OD1 2.67Å; S888-M893 WeakPolarHBondContact O-CE 3.48Å
889I82.1Confident84.6Confident39 Ų3963.4 Ų63.420%0.235%0.351CS..  trans-94.385173.7-57.1178.1000107.6R877 L880 L881 G887 M893 L894R877-I889 HydrophobicContact CG-CD1 4.17Å; R877-I889 HydrophobicContact CG-CG2 4.39Å; L880-I889 HydrophobicContact CB-CD1 4.06Å; L880-I889 HydrophobicContact CD1-CD1 4.46Å; L880-I889 HydrophobicContact CD1-CG2 4.06Å; L881-I889 HydrophobicContact CD2-CD1 3.81Å; L881-I889 HydrophobicContact CG-CD1 3.89Å; G887-I889 PolarHBondContact O-N 2.86Å; I889-M893 HydrophobicContact CG2-SD 4.4Å; I889-L894 HydrophobicContact CG2-CD1 4Å; I889-L894 HydrophobicContact CG2-CD2 3.68Å; I889-L894 HydrophobicContact CG2-CG 3.79Å
890D84.1Confident84.6Confident81 Ų8165.1 Ų65.143%0.43336%0.359SS..  trans-79.1156.4-176.4-63.7-24.7000112.4S888 T892 M893 L894S888-D890 WeakPolarHBondContact CB-OD1 2.96Å; S888-D890 PolarHBondContact O-N 3.42Å; S888-D890 PolarHBondContact OG-OD1 2.67Å; D890-T892 WeakPolarHBondContact CB-OG1 3.43Å; D890-T892 PolarHBondContact O-N 3.15Å; D890-M893 PolarHBondContact O-N 3.16Å; D890-L894 PolarHBondContact O-N 2.94Å; D890-L894 VanDerWaalsContact O-N 3.11Å
891K84.7Confident84.6Confident182 Ų18265.8 Ų65.879%0.79136%0.363SS*.Hα-helixtrans-61.9-27.7177.3-70.5-177.3178.7178.50112.9N895K891-N895 WeakPolarHBondContact O-CB 3.45Å; K891-N895 PolarHBondContact O-N 2.93Å; K891-N895 VanDerWaalsContact O-N 3.07Å; K891-N895 PolarHBondContact O-ND2 2.84Å
892T84.6Confident84.6Confident89 Ų8965 Ų6555%0.54637%0.365SS..Hα-helixtrans-64.1-54.817441.30000110.8D890 L894 N895 E896D890-T892 WeakPolarHBondContact CB-OG1 3.43Å; D890-T892 PolarHBondContact O-N 3.15Å; T892-L894 VanDerWaalsContact C-N 3.34Å; T892-L894 PolarHBondContact O-N 2.95Å; T892-N895 CarbonylContact O-C 3.56Å; T892-N895 WeakPolarHBondContact O-CA 3.15Å; T892-N895 WeakPolarHBondContact O-CB 3.32Å; T892-N895 PolarHBondContact O-N 3.24Å; T892-E896 WeakPolarHBondContact O-CG 3.48Å; T892-E896 PolarHBondContact O-N 2.96Å
893M84.6Confident84.9Confident13 Ų1362 Ų626%0.06435%0.346CS..Hα-helixtrans-53.2-47.2174.7171.7-173.8-59.100112.6L880 W885 S888 I889 D890 N895 E896 I897 Y926L880-M893 HydrophobicContact CD1-SD 3.94Å; W885-M893 HydrophobicContact CH2-CE 4.44Å; W885-M893 HydrophobicContact CZ2-CE 3.48Å; W885-M893 VanDerWaalsContact CZ2-CE 3.48Å; W885-M893 HydrophobicContact CZ2-SD 4.41Å; S888-M893 WeakPolarHBondContact O-CE 3.48Å; I889-M893 HydrophobicContact CG2-SD 4.4Å; D890-M893 PolarHBondContact O-N 3.16Å; M893-N895 VanDerWaalsContact C-N 3.28Å; M893-N895 PolarHBondContact O-N 3.31Å; M893-E896 PolarHBondContact O-N 3.26Å; M893-I897 HydrophobicContact CG-CD1 4.2Å; M893-I897 WeakPolarHBondContact O-CG1 3.21Å; M893-I897 PolarHBondContact O-N 3.36Å; M893-I897 VanDerWaalsContact O-N 3.14Å; M893-Y926 WeakPolarHBondContact CA-OH 3.41Å; M893-Y926 HydrophobicContact CG-CE1 3.75Å; M893-Y926 WeakPolarHBondContact CG-OH 3.33Å; M893-Y926 HydrophobicContact SD-CE1 4.48Å
894L88.9Confident85Confident21 Ų2160.3 Ų60.311%0.1134%0.341CS..Hα-helixtrans-65.2-30.4177.5-67178.4000113K873 I876 R877 L880 I889 D890 T892 A898K873-L894 HydrophobicContact CB-CB 4.45Å; K873-L894 HydrophobicContact CG-CB 4.27Å; I876-L894 HydrophobicContact CB-CD2 4.11Å; I876-L894 HydrophobicContact CG2-CD2 3.61Å; R877-L894 HydrophobicContact CB-CD2 4.25Å; L880-L894 HydrophobicContact CD1-CD2 4.21Å; I889-L894 HydrophobicContact CG2-CD1 4Å; I889-L894 HydrophobicContact CG2-CD2 3.68Å; I889-L894 HydrophobicContact CG2-CG 3.79Å; D890-L894 PolarHBondContact O-N 2.94Å; D890-L894 VanDerWaalsContact O-N 3.11Å; T892-L894 VanDerWaalsContact C-N 3.34Å; T892-L894 PolarHBondContact O-N 2.95Å; L894-A898 WeakPolarHBondContact O-CB 3.15Å; L894-A898 PolarHBondContact O-N 3.35Å
895N90.4Very high85.1Confident53 Ų5359.4 Ų59.428%0.28333%0.326SS..Hα-helixtrans-73.6-48.1172.6-80.5-36000111.2R869 K873 K891 T892 M893 I897 A898 D899R869-N895 PolarHBondContact NH2-OD1 2.73Å; K873-N895 WeakPolarHBondContact CE-OD1 3.47Å; K873-N895 PolarHBondContact NZ-OD1 3.35Å; K891-N895 WeakPolarHBondContact O-CB 3.45Å; K891-N895 PolarHBondContact O-N 2.93Å; K891-N895 VanDerWaalsContact O-N 3.07Å; K891-N895 PolarHBondContact O-ND2 2.84Å; T892-N895 CarbonylContact O-C 3.56Å; T892-N895 WeakPolarHBondContact O-CA 3.15Å; T892-N895 WeakPolarHBondContact O-CB 3.32Å; T892-N895 PolarHBondContact O-N 3.24Å; M893-N895 VanDerWaalsContact C-N 3.28Å; M893-N895 PolarHBondContact O-N 3.31Å; N895-I897 VanDerWaalsContact C-N 3.32Å; N895-I897 PolarHBondContact O-N 2.86Å; N895-A898 CarbonylContact O-C 3.56Å; N895-A898 WeakPolarHBondContact O-CA 3.42Å; N895-A898 WeakPolarHBondContact O-CB 3.28Å; N895-A898 PolarHBondContact O-N 3.32Å; N895-D899 WeakPolarHBondContact O-CB 3.35Å; N895-D899 PolarHBondContact O-N 3.05Å
896E88.1Confident85.1Confident81 Ų8166.5 Ų66.538%0.37936%0.358SS..Hα-helixtrans-51.7-48.1178.9-74.2168.2-16100112T892 M893 Q900 Y926 R930T892-E896 WeakPolarHBondContact O-CG 3.48Å; T892-E896 PolarHBondContact O-N 2.96Å; M893-E896 PolarHBondContact O-N 3.26Å; E896-Q900 WeakPolarHBondContact O-CG 3.31Å; E896-Y926 HydrophobicContact CB-CE2 3.98Å; E896-Y926 WeakPolarHBondContact OE2-CE2 3.23Å; E896-Y926 PolarHBondContact OE2-OH 3.38Å; E896-R930 IonicContact OE2-CZ 3.59Å; E896-R930 IonicContact OE2-NH2 3.27Å; E896-R930 PolarHBondContact OE2-NH2 3.3Å
897I88.6Confident85.4Confident1 Ų164.6 Ų64.61%0.00534%0.343CS..Hα-helixtrans-69.4-37.7178-58.6167.7000111.1I876 L880 M893 N895 Q900 K922 V923 Y926I876-I897 HydrophobicContact CD1-CB 4.07Å; I876-I897 HydrophobicContact CD1-CG2 3.76Å; I876-I897 HydrophobicContact CG1-CG2 3.96Å; I876-I897 HydrophobicContact CG2-CB 4.12Å; I876-I897 HydrophobicContact CG2-CD1 3.72Å; I876-I897 HydrophobicContact CG2-CG2 3.94Å; L880-I897 HydrophobicContact CD1-CD1 4.25Å; M893-I897 HydrophobicContact CG-CD1 4.2Å; M893-I897 WeakPolarHBondContact O-CG1 3.21Å; M893-I897 PolarHBondContact O-N 3.36Å; M893-I897 VanDerWaalsContact O-N 3.14Å; N895-I897 VanDerWaalsContact C-N 3.32Å; N895-I897 PolarHBondContact O-N 2.86Å; I897-Q900 PolarHBondContact O-N 3.17Å; I897-K922 HydrophobicContact CG2-CB 4.39Å; I897-V923 HydrophobicContact CD1-CG2 4.46Å; I897-V923 HydrophobicContact CG2-CG2 4.15Å; I897-Y926 HydrophobicContact CD1-CD1 3.6Å; I897-Y926 HydrophobicContact CD1-CD2 4.44Å; I897-Y926 HydrophobicContact CD1-CE1 3.73Å; I897-Y926 HydrophobicContact CD1-CG 3.94Å; I897-Y926 HydrophobicContact CG1-CD1 3.82Å; I897-Y926 HydrophobicContact CG1-CD2 3.73Å; I897-Y926 HydrophobicContact CG1-CE1 3.97Å; I897-Y926 HydrophobicContact CG1-CE2 3.86Å; I897-Y926 HydrophobicContact CG1-CG 3.66Å
898A88.8Confident86Confident0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-67.5-36.3177.800000112.5K873 I876 L894 N895 Q900 L901 Y903K873-A898 HydrophobicContact CG-CB 4.5Å; I876-A898 HydrophobicContact CD1-CB 3.99Å; L894-A898 WeakPolarHBondContact O-CB 3.15Å; L894-A898 PolarHBondContact O-N 3.35Å; N895-A898 CarbonylContact O-C 3.56Å; N895-A898 WeakPolarHBondContact O-CA 3.42Å; N895-A898 WeakPolarHBondContact O-CB 3.28Å; N895-A898 PolarHBondContact O-N 3.32Å; A898-Q900 PolarHBondContact O-N 3.26Å; A898-L901 WeakPolarHBondContact O-CB 3.48Å; A898-L901 PolarHBondContact O-N 3.32Å; A898-Y903 WeakPolarHBondContact O-CE2 3.24Å; A898-Y903 PolarHBondContact O-OH 2.81Å
899D89.4Confident86.4Confident97 Ų9763.3 Ų63.352%0.51933%0.33SS..Hα-helixtrans-66.1-18.4177.7-74-45.4000112.9R869 N895 L901R869-D899 IonicContact CZ-OD1 2.69Å; R869-D899 IonicContact NH1-OD1 3.83Å; R869-D899 PolarHBondContact NH1-OD1 2.67Å; R869-D899 IonicContact NH2-OD1 3.53Å; R869-D899 PolarHBondContact NH2-OD1 2.72Å; R869-D899 IonicContact NH2-OD2 3.77Å; R869-D899 PolarHBondContact NH2-OD2 3.03Å; N895-D899 WeakPolarHBondContact O-CB 3.35Å; N895-D899 PolarHBondContact O-N 3.05Å; D899-L901 PolarHBondContact O-N 3.37Å
900Q88.1Confident86.6Confident64 Ų6462.9 Ų62.930%0.29933%0.327SS..THydrogen-bonded Turntrans-76.70.8171-55.8-166.715.800114.4E896 I897 A898 K922E896-Q900 WeakPolarHBondContact O-CG 3.31Å; I897-Q900 PolarHBondContact O-N 3.17Å; A898-Q900 PolarHBondContact O-N 3.26Å; Q900-K922 HydrophobicContact CB-CD 3.98Å; Q900-K922 WeakPolarHBondContact O-CE 3.16Å; Q900-K922 PolarHBondContact O-NZ 3.27Å; Q900-K922 VanDerWaalsContact OE1-CD 3.23Å
901L88.7Confident87Confident14 Ų1459.1 Ų59.17%0.07331%0.307CS..SBendtrans-109.6145.1179.3-62.2169.4000110.9V872 A898 D899 Y903 I919 K922V872-L901 HydrophobicContact CG1-CD1 3.48Å; V872-L901 VanDerWaalsContact CG1-CD1 3.48Å; A898-L901 WeakPolarHBondContact O-CB 3.48Å; A898-L901 PolarHBondContact O-N 3.32Å; D899-L901 PolarHBondContact O-N 3.37Å; L901-Y903 HydrophobicContact CB-CE2 4.22Å; L901-Y903 WeakPolarHBondContact O-CD2 3.24Å; L901-Y903 VanDerWaalsContact O-CE2 3.23Å; L901-Y903 WeakPolarHBondContact O-CE2 3.1Å; L901-I919 HydrophobicContact CD1-CG1 4.32Å; L901-K922 HydrophobicContact CD2-CG 4.2Å
902S88.6Confident87.2Confident73 Ų7350.6 Ų50.651%0.5127%0.27SS..  trans-83.9133.8178.240.10000112.3S913S902-S913 WeakPolarHBondContact CB-OG 3.4Å; S902-S913 WeakPolarHBondContact O-CB 3.45Å; S902-S913 PolarHBondContact O-N 3.23Å; S902-S913 PolarHBondContact O-OG 2.98Å; S902-S913 PolarHBondContact OG-OG 2.78Å
903Y90.5Very high87.3Confident36 Ų3647.7 Ų47.714%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-114.6158179.9-64.7-92.8000112.8R869 A898 L901 G909 Y911R869-Y903 HydrophobicContact CB-CE1 3.83Å; R869-Y903 HydrophobicContact CG-CE1 4.17Å; A898-Y903 WeakPolarHBondContact O-CE2 3.24Å; A898-Y903 PolarHBondContact O-OH 2.81Å; L901-Y903 HydrophobicContact CB-CE2 4.22Å; L901-Y903 WeakPolarHBondContact O-CD2 3.24Å; L901-Y903 VanDerWaalsContact O-CE2 3.23Å; L901-Y903 WeakPolarHBondContact O-CE2 3.1Å; Y903-G909 VanDerWaalsContact CB-O 3.28Å; Y903-G909 WeakPolarHBondContact CB-O 3.5Å; Y903-Y911 CarbonylContact C-O 3.6Å; Y903-Y911 WeakPolarHBondContact CA-O 3.39Å
904F88.2Confident87.4Confident44 Ų4448.4 Ų48.419%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-144.7160.5-179.477.3-88.6000111.7A811 P866 L910 Y911A811-F904 HydrophobicContact CB-CE2 4Å; A811-F904 HydrophobicContact CB-CZ 4.25Å; P866-F904 HydrophobicContact CB-CZ 4.26Å; F904-L910 PolarHBondContact O-N 3.26Å; F904-Y911 WeakPolarHBondContact CD1-O 3.24Å; F904-Y911 HydrophobicContact CE2-CD2 4.14Å; F904-Y911 HydrophobicContact CZ-CD2 4.44Å; F904-Y911 PolarHBondContact N-O 3.11Å; F904-Y911 PolarHBondContact O-N 3.34Å
905P83.8Confident87.3Confident32 Ų3247.5 Ų47.521%0.20826%0.255CS..SBendcis-65.2158.6-12.529.3-32.7000111.7Y815 D907 V908 G909Y815-P905 HydrophobicContact CD1-CG 4.46Å; Y815-P905 HydrophobicContact CD2-CG 3.82Å; Y815-P905 HydrophobicContact CE1-CG 4.11Å; Y815-P905 HydrophobicContact CE2-CG 3.41Å; Y815-P905 VanDerWaalsContact CE2-CG 3.41Å; Y815-P905 HydrophobicContact CG-CG 4.32Å; P905-D907 WeakPolarHBondContact CB-OD1 3.33Å; P905-D907 VanDerWaalsContact CG-OD1 3.24Å; P905-D907 WeakPolarHBondContact CG-OD1 3.43Å; P905-D907 PolarHBondContact O-N 3.27Å; P905-D907 VanDerWaalsContact O-N 3.15Å; P905-V908 PolarHBondContact O-N 2.98Å; P905-G909 PolarHBondContact O-N 2.99Å
906K80.6Confident87.2Confident209 Ų20946.5 Ų46.591%0.90925%0.252SS*.THydrogen-bonded Turntrans-65.7-18.7-164.3-70-174.4177.8-1780114.9
907D80.8Confident87.1Confident108 Ų10849.5 Ų49.558%0.57826%0.263SS*.THydrogen-bonded Turntrans-74.6-37.8177.856.5-39.3000113Y815 P905Y815-D907 PolarHBondContact OH-OD2 2.89Å; P905-D907 WeakPolarHBondContact CB-OD1 3.33Å; P905-D907 VanDerWaalsContact CG-OD1 3.24Å; P905-D907 WeakPolarHBondContact CG-OD1 3.43Å; P905-D907 PolarHBondContact O-N 3.27Å; P905-D907 VanDerWaalsContact O-N 3.15Å
908V85.3Confident87Confident65 Ų6552.7 Ų52.739%0.39428%0.278SS..THydrogen-bonded Turntrans-113.4-28.9-175.7-1770000112.8W818 P905 L910W818-V908 HydrophobicContact CH2-CG1 3.75Å; W818-V908 HydrophobicContact CH2-CG2 4.03Å; W818-V908 HydrophobicContact CZ2-CG1 4.02Å; W818-V908 HydrophobicContact CZ3-CG1 4.42Å; W818-V908 HydrophobicContact CZ3-CG2 4.15Å; P905-V908 PolarHBondContact O-N 2.98Å; V908-L910 HydrophobicContact CG1-CB 4.05Å
909G85.7Confident87Confident28 Ų2853 Ų5329%0.28928%0.28SS..  trans65.934.3-177.500000113.8Y903 P905Y903-G909 VanDerWaalsContact CB-O 3.28Å; Y903-G909 WeakPolarHBondContact CB-O 3.5Å; P905-G909 PolarHBondContact O-N 2.99Å
910L87.3Confident86.8Confident29 Ų2955.7 Ų55.715%0.15228%0.283CS..  trans-76.1-44.7-168.2-173.159.2000114.3W818 E868 R869 F904 V908W818-L910 HydrophobicContact CB-CD2 4.36Å; W818-L910 HydrophobicContact CD2-CD2 3.68Å; W818-L910 HydrophobicContact CE3-CD2 4.37Å; W818-L910 HydrophobicContact CG-CD2 3.63Å; W818-L910 HydrophobicContact CZ2-CD2 4.46Å; E868-L910 WeakPolarHBondContact CA-O 3.4Å; R869-L910 PolarHBondContact N-O 3.41Å; F904-L910 PolarHBondContact O-N 3.26Å; V908-L910 HydrophobicContact CG1-CB 4.05Å
911Y90.8Very high86.8Confident2 Ų258.5 Ų58.51%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-114.5140.5-170.1-56.2-57000112.6T814 P866 L867 E868 Y903 F904 S913T814-Y911 HydrophobicContact CG2-CE1 4.31Å; T814-Y911 WeakPolarHBondContact CG2-OH 3.17Å; T814-Y911 PolarHBondContact O-OH 2.83Å; P866-Y911 HydrophobicContact CB-CD1 3.79Å; P866-Y911 HydrophobicContact CB-CD2 4.2Å; P866-Y911 HydrophobicContact CB-CE1 4.39Å; P866-Y911 HydrophobicContact CB-CG 3.7Å; P866-Y911 HydrophobicContact CG-CD1 3.86Å; P866-Y911 HydrophobicContact CG-CD2 4.14Å; P866-Y911 HydrophobicContact CG-CE1 3.95Å; P866-Y911 HydrophobicContact CG-CE2 4.2Å; P866-Y911 HydrophobicContact CG-CG 3.97Å; L867-Y911 CarbonylContact O-C 3.57Å; L867-Y911 WeakPolarHBondContact O-CA 3.23Å; E868-Y911 HydrophobicContact CG-CD1 3.81Å; E868-Y911 HydrophobicContact CG-CE1 3.71Å; Y903-Y911 CarbonylContact C-O 3.6Å; Y903-Y911 WeakPolarHBondContact CA-O 3.39Å; F904-Y911 WeakPolarHBondContact CD1-O 3.24Å; F904-Y911 HydrophobicContact CE2-CD2 4.14Å; F904-Y911 HydrophobicContact CZ-CD2 4.44Å; F904-Y911 PolarHBondContact N-O 3.11Å; F904-Y911 PolarHBondContact O-N 3.34Å; Y911-S913 PolarHBondContact O-N 3.49Å
912S90.6Very high86.8Confident3 Ų360.7 Ų60.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-73.5123.2177.1172.20000111.8L867 T914 G915L867-S912 PolarHBondContact O-N 3.23Å; S912-T914 PolarHBondContact O-N 3.3Å; S912-T914 PolarHBondContact OG-N 3.13Å; S912-G915 PolarHBondContact O-N 3.01Å; S912-G915 PolarHBondContact OG-N 3.46Å; S912-G915 VanDerWaalsContact OG-N 3.11Å; S912-G915 PolarHBondContact OG-O 2.88Å
913S86.5Confident86.8Confident29 Ų2957.2 Ų57.220%0.20328%0.281CS..THydrogen-bonded Turntrans-64.5-21.5178.857.60000114.5W699 S902 Y911W699-S913 PolarHBondContact NE1-O 2.66Å; S902-S913 WeakPolarHBondContact CB-OG 3.4Å; S902-S913 WeakPolarHBondContact O-CB 3.45Å; S902-S913 PolarHBondContact O-N 3.23Å; S902-S913 PolarHBondContact O-OG 2.98Å; S902-S913 PolarHBondContact OG-OG 2.78Å; Y911-S913 PolarHBondContact O-N 3.49Å
914T86Confident86.6Confident28 Ų2856.2 Ų56.217%0.17228%0.281CS..THydrogen-bonded Turntrans-117.74.4-178.763.30000113.2G701 S912 C916 K917G701-T914 WeakPolarHBondContact CA-O 3.46Å; S912-T914 PolarHBondContact O-N 3.3Å; S912-T914 PolarHBondContact OG-N 3.13Å; T914-C916 PolarHBondContact O-N 2.96Å; T914-K917 VanDerWaalsContact O-CB 3.3Å; T914-K917 WeakPolarHBondContact O-CB 3.36Å; T914-K917 PolarHBondContact O-N 2.87Å; T914-K917 VanDerWaalsContact O-N 3.17Å
915G87.2Confident86.5Confident2 Ų258.2 Ų58.22%0.02129%0.294CS..THydrogen-bonded Turntrans52.5-133.7-172.900000112S912S912-G915 PolarHBondContact O-N 3.01Å; S912-G915 PolarHBondContact OG-N 3.46Å; S912-G915 VanDerWaalsContact OG-N 3.11Å; S912-G915 PolarHBondContact OG-O 2.88Å
916C88.1Confident86.6Confident32 Ų3257.1 Ų57.122%0.21629%0.285CS..THydrogen-bonded Turntrans-94.19.7177-64.30000114G701 C875 T914 H918 I919G701-C916 PolarHBondContact O-N 3.39Å; C875-C916 HydrophobicContact CB-CB 3.8Å; C875-C916 WeakPolarHBondContact CB-SG 3.43Å; C875-C916 WeakPolarHBondContact SG-CB 3.18Å; C875-C916 CovalentContact SG-SG 2.05Å; C875-C916 PolarHBondContact SG-SG 3.39Å; T914-C916 PolarHBondContact O-N 2.96Å; C916-H918 PolarHBondContact O-N 3.32Å; C916-I919 HydrophobicContact CB-CD1 3.6Å; C916-I919 HydrophobicContact CB-CG1 4.47Å; C916-I919 PolarHBondContact O-N 2.95Å
917K86Confident86.8Confident143 Ų14349.2 Ų49.262%0.62225%0.252SS*.THydrogen-bonded Turntrans-65.5-41.8-169.4-171.1178.6-179.9-179.10114.3T914T914-K917 VanDerWaalsContact O-CB 3.3Å; T914-K917 WeakPolarHBondContact O-CB 3.36Å; T914-K917 PolarHBondContact O-N 2.87Å; T914-K917 VanDerWaalsContact O-N 3.17Å
918H87.1Confident86.8Confident68 Ų6849.8 Ų49.832%0.31525%0.251SS..THydrogen-bonded Turntrans-93.62-176.5-66.7-70.3000114.2C916 W920 Q921 K922C916-H918 PolarHBondContact O-N 3.32Å; H918-W920 VanDerWaalsContact C-N 3.31Å; H918-W920 PolarHBondContact O-N 3.44Å; H918-Q921 PolarHBondContact ND1-OE1 2.95Å; H918-Q921 PolarHBondContact O-N 3.02Å; H918-K922 WeakPolarHBondContact O-CG 3.39Å; H918-K922 PolarHBondContact O-N 2.97Å
919I87.4Confident86.6Confident6 Ų651.3 Ų51.33%0.03125%0.254CS..Hα-helixtrans-60.5-41.1-176.9-67.6176.6000111.2V872 C875 I876 E879 L901 C916 Q921 K922 V923V872-I919 HydrophobicContact CG1-CD1 4.09Å; C875-I919 HydrophobicContact CB-CD1 3.28Å; I876-I919 HydrophobicContact CB-CG2 4.4Å; I876-I919 HydrophobicContact CG1-CD1 4.08Å; I876-I919 HydrophobicContact CG1-CG1 4.25Å; I876-I919 HydrophobicContact CG1-CG2 3.84Å; E879-I919 HydrophobicContact CB-CG2 3.97Å; E879-I919 HydrophobicContact CG-CG2 4.15Å; L901-I919 HydrophobicContact CD1-CG1 4.32Å; C916-I919 HydrophobicContact CB-CD1 3.6Å; C916-I919 HydrophobicContact CB-CG1 4.47Å; C916-I919 PolarHBondContact O-N 2.95Å; I919-Q921 VanDerWaalsContact C-N 3.27Å; I919-Q921 PolarHBondContact O-N 3.26Å; I919-K922 PolarHBondContact O-N 3.34Å; I919-V923 HydrophobicContact CG2-CG2 3.8Å; I919-V923 WeakPolarHBondContact O-CB 3.46Å; I919-V923 WeakPolarHBondContact O-CG2 3.25Å; I919-V923 PolarHBondContact O-N 3.44Å
920W84.9Confident86.1Confident155 Ų15554.4 Ų54.459%0.58726%0.257SS*.Hα-helixtrans-50.2-45.5172.4173-94.6000113E879 R883 H918 G924E879-W920 WeakPolarHBondContact OE1-CZ3 3.48Å; R883-W920 VanDerWaalsContact NH2-CD2 3.31Å; R883-W920 VanDerWaalsContact NH2-CZ2 3.28Å; R883-W920 PolarHBondContact NH2-O 3.27Å; H918-W920 VanDerWaalsContact C-N 3.31Å; H918-W920 PolarHBondContact O-N 3.44Å; W920-G924 PolarHBondContact O-N 3.47Å
921Q89.3Confident85.3Confident123 Ų12355.4 Ų55.458%0.57527%0.269SS*.Hα-helixtrans-75.1-40-178.5-65173.8-45.800111.5H918 I919 G924 L925H918-Q921 PolarHBondContact ND1-OE1 2.95Å; H918-Q921 PolarHBondContact O-N 3.02Å; I919-Q921 VanDerWaalsContact C-N 3.27Å; I919-Q921 PolarHBondContact O-N 3.26Å; Q921-G924 PolarHBondContact O-N 2.88Å; Q921-L925 PolarHBondContact O-N 3.31Å
922K88.6Confident83.8Confident60 Ų6059.8 Ų59.826%0.26129%0.293SS..Hα-helixtrans-70.6-43.5-178.2-71.1-69.8-172.41770113.1I897 Q900 L901 H918 I919 G924 L925 Y926I897-K922 HydrophobicContact CG2-CB 4.39Å; Q900-K922 HydrophobicContact CB-CD 3.98Å; Q900-K922 WeakPolarHBondContact O-CE 3.16Å; Q900-K922 PolarHBondContact O-NZ 3.27Å; Q900-K922 VanDerWaalsContact OE1-CD 3.23Å; L901-K922 HydrophobicContact CD2-CG 4.2Å; H918-K922 WeakPolarHBondContact O-CG 3.39Å; H918-K922 PolarHBondContact O-N 2.97Å; I919-K922 PolarHBondContact O-N 3.34Å; K922-G924 VanDerWaalsContact C-N 3.33Å; K922-L925 PolarHBondContact O-N 3.37Å; K922-Y926 WeakPolarHBondContact O-CB 3.45Å; K922-Y926 PolarHBondContact O-N 2.66Å
923V87.8Confident82.2Confident0 Ų062.2 Ų62.20%031%0.31CS..Hα-helixtrans-64.9-39.5173.3175.70000110.5I876 E879 L880 I897 I919 Y926 M927I876-V923 HydrophobicContact CG2-CG2 4.07Å; E879-V923 HydrophobicContact CB-CG2 4.27Å; E879-V923 HydrophobicContact CG-CB 3.87Å; E879-V923 HydrophobicContact CG-CG1 4.02Å; E879-V923 HydrophobicContact CG-CG2 3.88Å; L880-V923 HydrophobicContact CD2-CG1 3.6Å; L880-V923 HydrophobicContact CG-CG1 3.91Å; I897-V923 HydrophobicContact CD1-CG2 4.46Å; I897-V923 HydrophobicContact CG2-CG2 4.15Å; I919-V923 HydrophobicContact CG2-CG2 3.8Å; I919-V923 WeakPolarHBondContact O-CB 3.46Å; I919-V923 WeakPolarHBondContact O-CG2 3.25Å; I919-V923 PolarHBondContact O-N 3.44Å; V923-Y926 PolarHBondContact O-N 3.03Å; V923-M927 HydrophobicContact CG1-CG 4.36Å; V923-M927 HydrophobicContact CG1-SD 4.03Å; V923-M927 WeakPolarHBondContact O-CB 3.43Å; V923-M927 WeakPolarHBondContact O-CG 3.43Å; V923-M927 PolarHBondContact O-N 3.08Å
924G86.5Confident80.6Confident15 Ų1565.4 Ų65.416%0.15533%0.325CS..Hα-helixtrans-59.8-49174.900000113.4R883 W920 Q921 K922 Y926 M927 E928R883-G924 VanDerWaalsContact NH1-CA 3.28Å; W920-G924 PolarHBondContact O-N 3.47Å; Q921-G924 PolarHBondContact O-N 2.88Å; K922-G924 VanDerWaalsContact C-N 3.33Å; G924-Y926 PolarHBondContact O-N 3.21Å; G924-M927 PolarHBondContact O-N 2.97Å; G924-E928 PolarHBondContact O-N 2.77Å; G924-E928 VanDerWaalsContact O-N 3.11Å
925L86.8Confident78.8Confident86 Ų8671.3 Ų71.345%0.4535%0.348SS..Hα-helixtrans-57.4-48.8175.8-173.177000111.5Q921 K922 M927 E928 E929Q921-L925 PolarHBondContact O-N 3.31Å; K922-L925 PolarHBondContact O-N 3.37Å; L925-M927 VanDerWaalsContact C-N 3.32Å; L925-M927 PolarHBondContact O-N 3.13Å; L925-E928 PolarHBondContact O-N 3.06Å; L925-E928 VanDerWaalsContact O-N 3.17Å; L925-E929 HydrophobicContact CG-CG 4.44Å; L925-E929 WeakPolarHBondContact O-CG 3.41Å; L925-E929 PolarHBondContact O-N 3.25Å
926Y86Confident76.7Confident9 Ų976.5 Ų76.54%0.03538%0.375CS..Hα-helixtrans-64.7-32.6-178.5-175.7-93.7000113.7M893 E896 I897 K922 V923 G924 R930M893-Y926 WeakPolarHBondContact CA-OH 3.41Å; M893-Y926 HydrophobicContact CG-CE1 3.75Å; M893-Y926 WeakPolarHBondContact CG-OH 3.33Å; M893-Y926 HydrophobicContact SD-CE1 4.48Å; E896-Y926 HydrophobicContact CB-CE2 3.98Å; E896-Y926 WeakPolarHBondContact OE2-CE2 3.23Å; E896-Y926 PolarHBondContact OE2-OH 3.38Å; I897-Y926 HydrophobicContact CD1-CD1 3.6Å; I897-Y926 HydrophobicContact CD1-CD2 4.44Å; I897-Y926 HydrophobicContact CD1-CE1 3.73Å; I897-Y926 HydrophobicContact CD1-CG 3.94Å; I897-Y926 HydrophobicContact CG1-CD1 3.82Å; I897-Y926 HydrophobicContact CG1-CD2 3.73Å; I897-Y926 HydrophobicContact CG1-CE1 3.97Å; I897-Y926 HydrophobicContact CG1-CE2 3.86Å; I897-Y926 HydrophobicContact CG1-CG 3.66Å; K922-Y926 WeakPolarHBondContact O-CB 3.45Å; K922-Y926 PolarHBondContact O-N 2.66Å; V923-Y926 PolarHBondContact O-N 3.03Å; G924-Y926 PolarHBondContact O-N 3.21Å; Y926-R930 VanDerWaalsContact CE1-NH1 3.32Å; Y926-R930 PolarHBondContact OH-NH1 3.45Å; Y926-R930 PolarHBondContact OH-NH2 2.94Å
927M83.5Confident74.6Confident42 Ų4281.1 Ų81.121%0.20739%0.393CS..Hα-helixtrans-69.7-41.3172.9-75.3-179.763.200111.6L880 R883 W885 V923 G924 L925 R930 A931L880-M927 HydrophobicContact CD2-CG 4.45Å; L880-M927 HydrophobicContact CD2-SD 4.39Å; R883-M927 HydrophobicContact CB-CE 4.09Å; R883-M927 HydrophobicContact CB-SD 3.87Å; R883-M927 VanDerWaalsContact CD-SD 3.56Å; R883-M927 HydrophobicContact CG-SD 4.38Å; W885-M927 HydrophobicContact CE3-CE 4.17Å; W885-M927 HydrophobicContact CE3-CG 4Å; W885-M927 HydrophobicContact CE3-SD 4.38Å; W885-M927 HydrophobicContact CZ3-CG 4.13Å; V923-M927 HydrophobicContact CG1-CG 4.36Å; V923-M927 HydrophobicContact CG1-SD 4.03Å; V923-M927 WeakPolarHBondContact O-CB 3.43Å; V923-M927 WeakPolarHBondContact O-CG 3.43Å; V923-M927 PolarHBondContact O-N 3.08Å; G924-M927 PolarHBondContact O-N 2.97Å; L925-M927 VanDerWaalsContact C-N 3.32Å; L925-M927 PolarHBondContact O-N 3.13Å; M927-R930 PolarHBondContact O-N 3.21Å; M927-A931 PolarHBondContact O-N 2.93Å
928E81.3Confident72.6Confident121 Ų12181.5 Ų81.557%0.56540%0.397SS*.Hα-helixtrans-69.4-44.2180-154.173.4174.600111.9G924 L925 R930 A931 D932G924-E928 PolarHBondContact O-N 2.77Å; G924-E928 VanDerWaalsContact O-N 3.11Å; L925-E928 PolarHBondContact O-N 3.06Å; L925-E928 VanDerWaalsContact O-N 3.17Å; E928-R930 PolarHBondContact O-N 2.99Å; E928-R930 VanDerWaalsContact O-N 3.08Å; E928-A931 WeakPolarHBondContact O-CA 3.26Å; E928-A931 WeakPolarHBondContact O-CB 3.36Å; E928-A931 PolarHBondContact O-N 3.27Å; E928-D932 PolarHBondContact O-N 3.49Å
929E81.7Confident70.5Confident97 Ų9781.6 Ų81.645%0.45341%0.41SS..Hα-helixtrans-54.3-31174.9-74.4172.1172.200112.4L925 S933L925-E929 HydrophobicContact CG-CG 4.44Å; L925-E929 WeakPolarHBondContact O-CG 3.41Å; L925-E929 PolarHBondContact O-N 3.25Å; E929-S933 PolarHBondContact O-N 3.43Å; E929-S933 PolarHBondContact O-OG 3.27Å
930R75.4Confident68.1Low93 Ų9389.6 Ų89.635%0.35145%0.447SS..Hα-helixtrans-88.9-23174.2-71.6-139.3175.4110.17.6114.9E896 Y926 M927 E928 S933 N934E896-R930 IonicContact OE2-CZ 3.59Å; E896-R930 IonicContact OE2-NH2 3.27Å; E896-R930 PolarHBondContact OE2-NH2 3.3Å; Y926-R930 VanDerWaalsContact CE1-NH1 3.32Å; Y926-R930 PolarHBondContact OH-NH1 3.45Å; Y926-R930 PolarHBondContact OH-NH2 2.94Å; M927-R930 PolarHBondContact O-N 3.21Å; E928-R930 PolarHBondContact O-N 2.99Å; E928-R930 VanDerWaalsContact O-N 3.08Å; R930-S933 WeakPolarHBondContact CA-OG 3.46Å; R930-N934 PolarHBondContact O-N 3.43Å; R930-N934 PolarHBondContact O-ND2 3.33Å
931A70Confident65.8Low49 Ų4993.6 Ų93.641%0.40547%0.469SS..Hα-helixtrans-69.4-47.4169.400000110.4M927 E928 S933 N934 F935M927-A931 PolarHBondContact O-N 2.93Å; E928-A931 WeakPolarHBondContact O-CA 3.26Å; E928-A931 WeakPolarHBondContact O-CB 3.36Å; E928-A931 PolarHBondContact O-N 3.27Å; A931-S933 PolarHBondContact O-N 3Å; A931-N934 PolarHBondContact O-N 3.42Å; A931-F935 PolarHBondContact O-N 3.4Å
932D59.5Low64.7Low94 Ų9492.1 Ų92.150%0.50346%0.463SS..Hα-helixtrans-64.6-39.6178.9-84.2-18.5000112.7E928 N934 F935 L936E928-D932 PolarHBondContact O-N 3.49Å; D932-N934 VanDerWaalsContact C-N 3.35Å; D932-N934 PolarHBondContact O-N 3.15Å; D932-F935 PolarHBondContact O-N 3.36Å; D932-F935 VanDerWaalsContact O-N 3.15Å; D932-L936 WeakPolarHBondContact O-CB 3.19Å; D932-L936 WeakPolarHBondContact O-CG 2.88Å; D932-L936 PolarHBondContact O-N 2.87Å
933S56.4Low63.4Low55 Ų5593.8 Ų93.839%0.38547%0.474SS..Hα-helixtrans-70.1-29.3177.342.10000113.3E929 R930 A931 Q937E929-S933 PolarHBondContact O-N 3.43Å; E929-S933 PolarHBondContact O-OG 3.27Å; R930-S933 WeakPolarHBondContact CA-OG 3.46Å; A931-S933 PolarHBondContact O-N 3Å; S933-Q937 WeakPolarHBondContact O-CG 3.49Å; S933-Q937 PolarHBondContact O-N 2.97Å; S933-Q937 VanDerWaalsContact O-N 3.12Å
934N53.6Low62.1Low96 Ų9699 Ų9951%0.51350%0.5SS..Hα-helixtrans-70.4-36.5167-73.9-20.5000112R930 A931 D932 Q937 H938R930-N934 PolarHBondContact O-N 3.43Å; R930-N934 PolarHBondContact O-ND2 3.33Å; A931-N934 PolarHBondContact O-N 3.42Å; D932-N934 VanDerWaalsContact C-N 3.35Å; D932-N934 PolarHBondContact O-N 3.15Å; N934-Q937 PolarHBondContact O-N 3.32Å; N934-H938 PolarHBondContact O-CD2 3.17Å; N934-H938 PolarHBondContact O-N 3.15Å; N934-H938 VanDerWaalsContact O-N 3.15Å
935F47.3Very low60.6Low151 Ų151103.9 Ų103.966%0.66252%0.521SS*.Hα-helixtrans-69.6-38.7177.8-160.7-91.3000112A931 D932 H938 A939A931-F935 PolarHBondContact O-N 3.4Å; D932-F935 PolarHBondContact O-N 3.36Å; D932-F935 VanDerWaalsContact O-N 3.15Å; F935-H938 CarbonylContact O-C 3.56Å; F935-H938 PolarHBondContact O-N 3.45Å; F935-H938 VanDerWaalsContact O-N 3.14Å; F935-A939 PolarHBondContact O-N 2.83Å
936L43.4Very low59Low111 Ų111105.1 Ų105.158%0.58153%0.525SS*.Hα-helixtrans-65.5-40.5173-74.9165.4000111.9D932 H938 A939 E940D932-L936 WeakPolarHBondContact O-CB 3.19Å; D932-L936 WeakPolarHBondContact O-CG 2.88Å; D932-L936 PolarHBondContact O-N 2.87Å; L936-H938 PolarHBondContact O-N 3.45Å; L936-A939 PolarHBondContact O-N 2.71Å; L936-E940 PolarHBondContact O-N 3.11Å
937Q43.6Very low57.2Low129 Ų129111.5 Ų111.560%0.60356%0.558SS**Hα-helixtrans-62.6-23.6170.9-79.7-171.3-11.500113.7S933 N934S933-Q937 WeakPolarHBondContact O-CG 3.49Å; S933-Q937 PolarHBondContact O-N 2.97Å; S933-Q937 VanDerWaalsContact O-N 3.12Å; N934-Q937 PolarHBondContact O-N 3.32Å
938H45.3Very low55.3Low151 Ų151116.4 Ų116.470%0.69958%0.583SS**THydrogen-bonded Turntrans-90.4-6.5171.7-75.3-38.9000114.4N934 F935 L936N934-H938 PolarHBondContact O-CD2 3.17Å; N934-H938 PolarHBondContact O-N 3.15Å; N934-H938 VanDerWaalsContact O-N 3.15Å; F935-H938 CarbonylContact O-C 3.56Å; F935-H938 PolarHBondContact O-N 3.45Å; F935-H938 VanDerWaalsContact O-N 3.14Å; L936-H938 PolarHBondContact O-N 3.45Å
939A41.5Very low53.3Low70 Ų70116.1 Ų116.158%0.57958%0.584SS**THydrogen-bonded Turntrans-103.9-19.8175.500000113.1F935 L936 F941F935-A939 PolarHBondContact O-N 2.83Å; L936-A939 PolarHBondContact O-N 2.71Å; A939-F941 VanDerWaalsContact C-N 3.33Å
940E37.7Very low50.9Low174 Ų174117.7 Ų117.781%0.81360%0.595SS**  trans-83.8-5.4167.6-70-169.5143.100113.5L936L936-E940 PolarHBondContact O-N 3.11Å
941F37.5Very low48.7Very low239 Ų239119.9 Ų119.9100%1.04862%0.617SS**  trans-104.30177.7-118.3-73.6000112.3A939A939-F941 VanDerWaalsContact C-N 3.33Å

Retrieved 941 of 941 residues in 533.8 ms (Link to these results)

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