A0A087XYE0_POEFO Loading...

CLK4-associating serine/arginine rich protein

AlphaFold DB , UniProt , Accession A0A087XYE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 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
1M73.1Confident85.4Confident191 Ų191135.6 Ų135.694%0.94161%0.61SS**  0-77.60-64.5-154.5-82.200114.7Q3 E4 A5M1-Q3 PolarHBondContact O-N 3.08Å; M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE2 3.46Å; M1-E4 PolarHBondContact O-N 3.42Å; M1-E4 VanDerWaalsContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 3.32Å
2W79.3Confident85.8Confident177 Ų177133.5 Ų133.567%0.6761%0.608SS**Hα-helixtrans-61.2-41.3-168.4-177.888.1000115.2E4 A5 R6W2-E4 VanDerWaalsContact C-N 3.31Å; W2-E4 PolarHBondContact O-N 2.66Å; W2-A5 PolarHBondContact O-N 3.12Å; W2-R6 PolarHBondContact O-N 2.99Å
3Q81.4Confident86.1Confident158 Ų158134.5 Ų134.574%0.73860%0.603SS**Hα-helixtrans-66.3-34.3178.2-64.1-1744.600112.1M1 R6 K7M1-Q3 PolarHBondContact O-N 3.08Å; Q3-R6 PolarHBondContact O-N 2.88Å; Q3-K7 PolarHBondContact O-N 3.46Å
4E85.1Confident86.4Confident115 Ų115127.1 Ų127.154%0.53758%0.583SS.*Hα-helixtrans-71.6-46176.4-65.4150.8131.900111M1 W2 R6 K7 H8M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE2 3.46Å; M1-E4 PolarHBondContact O-N 3.42Å; M1-E4 VanDerWaalsContact O-N 3.16Å; W2-E4 VanDerWaalsContact C-N 3.31Å; W2-E4 PolarHBondContact O-N 2.66Å; E4-R6 PolarHBondContact O-N 3.45Å; E4-K7 CarbonylContact O-C 3.56Å; E4-K7 WeakPolarHBondContact O-CA 3.13Å; E4-K7 VanDerWaalsContact O-CB 3.3Å; E4-K7 WeakPolarHBondContact O-CB 3.29Å; E4-K7 PolarHBondContact O-N 3.24Å; E4-H8 PolarHBondContact O-CD2 2.99Å; E4-H8 VanDerWaalsContact O-CD2 3.23Å; E4-H8 PolarHBondContact O-N 2.88Å
5A86.1Confident86.4Confident60 Ų60123.7 Ų123.750%0.49657%0.569SS.*Hα-helixtrans-52.8-42.1172.700000111M1 W2 K7 H8 E9M1-A5 PolarHBondContact O-N 3.32Å; W2-A5 PolarHBondContact O-N 3.12Å; A5-K7 PolarHBondContact O-N 3.08Å; A5-H8 PolarHBondContact O-N 2.8Å; A5-E9 WeakPolarHBondContact O-CB 3.47Å; A5-E9 PolarHBondContact O-N 2.81Å
6R87.9Confident86.5Confident114 Ų114123.9 Ų123.943%0.4357%0.573SS.*Hα-helixtrans-71-26.4175.8-150.1170.4-169.1154.63.4114W2 Q3 E4 R10W2-R6 PolarHBondContact O-N 2.99Å; Q3-R6 PolarHBondContact O-N 2.88Å; E4-R6 PolarHBondContact O-N 3.45Å; R6-R10 VanDerWaalsContact O-CG 3.29Å; R6-R10 WeakPolarHBondContact O-CG 3Å; R6-R10 PolarHBondContact O-N 2.87Å; R6-R10 VanDerWaalsContact O-N 3.09Å
7K86.8Confident86.7Confident158 Ų158121.8 Ų121.869%0.68757%0.57SS**Hα-helixtrans-71.4-44.2171.4-171.1-179.1179.4-177.10110.8Q3 E4 A5 R10 K11Q3-K7 PolarHBondContact O-N 3.46Å; E4-K7 CarbonylContact O-C 3.56Å; E4-K7 WeakPolarHBondContact O-CA 3.13Å; E4-K7 VanDerWaalsContact O-CB 3.3Å; E4-K7 WeakPolarHBondContact O-CB 3.29Å; E4-K7 PolarHBondContact O-N 3.24Å; A5-K7 PolarHBondContact O-N 3.08Å; K7-R10 PolarHBondContact O-N 3.35Å; K7-K11 PolarHBondContact O-N 2.79Å
8H89.5Confident86.8Confident124 Ų124119.8 Ų119.857%0.57456%0.564SS**Hα-helixtrans-63.1-43.1172.6-76.8-83.7000111.8E4 A5 R10 K11 L12E4-H8 PolarHBondContact O-CD2 2.99Å; E4-H8 VanDerWaalsContact O-CD2 3.23Å; E4-H8 PolarHBondContact O-N 2.88Å; A5-H8 PolarHBondContact O-N 2.8Å; H8-R10 PolarHBondContact O-N 3.2Å; H8-K11 PolarHBondContact O-N 3.15Å; H8-K11 VanDerWaalsContact O-N 3.14Å; H8-L12 WeakPolarHBondContact O-CG 3.38Å; H8-L12 PolarHBondContact O-N 2.74Å
9E91.3Very high86.9Confident75 Ų75121.6 Ų121.635%0.3557%0.566SS.*Hα-helixtrans-59-45.4175.1-169.9-165.1-172.800112A5 K11 L12 R13A5-E9 WeakPolarHBondContact O-CB 3.47Å; A5-E9 PolarHBondContact O-N 2.81Å; E9-K11 VanDerWaalsContact C-N 3.34Å; E9-K11 PolarHBondContact O-N 2.82Å; E9-L12 PolarHBondContact O-N 3.37Å; E9-R13 WeakPolarHBondContact O-CB 3.36Å; E9-R13 VanDerWaalsContact O-CG 3.28Å; E9-R13 WeakPolarHBondContact O-CG 3.37Å; E9-R13 PolarHBondContact O-N 3.39Å; E9-R13 IonicContact OE1-CZ 2.87Å; E9-R13 IonicContact OE1-NE 2.63Å; E9-R13 PolarHBondContact OE1-NE 3.18Å; E9-R13 IonicContact OE1-NH2 2.7Å; E9-R13 PolarHBondContact OE1-NH2 3.46Å
10R88.7Confident87Confident177 Ų177122.5 Ų122.567%0.66857%0.568SS**Hα-helixtrans-61.2-41.2173.7-73.6176.9-157.6172.66.4112R6 K7 H8 R13 G14R6-R10 VanDerWaalsContact O-CG 3.29Å; R6-R10 WeakPolarHBondContact O-CG 3Å; R6-R10 PolarHBondContact O-N 2.87Å; R6-R10 VanDerWaalsContact O-N 3.09Å; K7-R10 PolarHBondContact O-N 3.35Å; H8-R10 PolarHBondContact O-N 3.2Å; R10-R13 PolarHBondContact O-N 3.36Å; R10-G14 PolarHBondContact O-N 3.39Å
11K90.1Very high87Confident143 Ų143124.4 Ų124.462%0.62257%0.57SS**Hα-helixtrans-63.6-44.8177.3-169176.8-179.8-179.60111.4K7 H8 E9 G14 M15K7-K11 PolarHBondContact O-N 2.79Å; H8-K11 PolarHBondContact O-N 3.15Å; H8-K11 VanDerWaalsContact O-N 3.14Å; E9-K11 VanDerWaalsContact C-N 3.34Å; E9-K11 PolarHBondContact O-N 2.82Å; K11-G14 PolarHBondContact O-N 3.38Å; K11-M15 HydrophobicContact CG-CE 4.38Å; K11-M15 WeakPolarHBondContact O-CG 3.5Å; K11-M15 PolarHBondContact O-N 3.28Å
12L90.9Very high87.6Confident110 Ų110119.7 Ų119.758%0.57654%0.542SS*.Hα-helixtrans-62.4-46.1175.5-73.2166000112.1H8 E9 G14 M15 M16H8-L12 WeakPolarHBondContact O-CG 3.38Å; H8-L12 PolarHBondContact O-N 2.74Å; E9-L12 PolarHBondContact O-N 3.37Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.78Å; L12-M15 HydrophobicContact CD2-CE 3.82Å; L12-M15 HydrophobicContact CG-CE 4.44Å; L12-M15 PolarHBondContact O-N 2.75Å; L12-M16 WeakPolarHBondContact O-CB 3.28Å; L12-M16 PolarHBondContact O-N 3.28Å
13R89.5Confident88Confident147 Ų147112.7 Ų112.756%0.55552%0.524SS*.Hα-helixtrans-61.8-40.3175.4-71.9172.4-179.9-127.66.8111.9E9 R10 M16 V17E9-R13 WeakPolarHBondContact O-CB 3.36Å; E9-R13 VanDerWaalsContact O-CG 3.28Å; E9-R13 WeakPolarHBondContact O-CG 3.37Å; E9-R13 PolarHBondContact O-N 3.39Å; E9-R13 IonicContact OE1-CZ 2.87Å; E9-R13 IonicContact OE1-NE 2.63Å; E9-R13 PolarHBondContact OE1-NE 3.18Å; E9-R13 IonicContact OE1-NH2 2.7Å; E9-R13 PolarHBondContact OE1-NH2 3.46Å; R10-R13 PolarHBondContact O-N 3.36Å; R13-M16 PolarHBondContact O-N 2.96Å; R13-V17 WeakPolarHBondContact O-CG2 3.26Å; R13-V17 PolarHBondContact O-N 2.89Å
14G90.1Very high88.2Confident31 Ų31108.3 Ų108.332%0.3250%0.504SS..Hα-helixtrans-60.4-54.6174.100000112R10 K11 L12 M16 V17 D18R10-G14 PolarHBondContact O-N 3.39Å; K11-G14 PolarHBondContact O-N 3.38Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.78Å; G14-M16 VanDerWaalsContact C-N 3.29Å; G14-M16 PolarHBondContact O-N 3.44Å; G14-V17 PolarHBondContact O-N 3.11Å; G14-V17 VanDerWaalsContact O-N 3.08Å; G14-D18 PolarHBondContact O-N 3.01Å
15M86.1Confident88.3Confident76 Ų76109.8 Ų109.837%0.37451%0.505SS..Hα-helixtrans-56.3-41.8176.6-69.1-173.9-58.800112.1K11 L12 V17 D18 Y19K11-M15 HydrophobicContact CG-CE 4.38Å; K11-M15 WeakPolarHBondContact O-CG 3.5Å; K11-M15 PolarHBondContact O-N 3.28Å; L12-M15 HydrophobicContact CD2-CE 3.82Å; L12-M15 HydrophobicContact CG-CE 4.44Å; L12-M15 PolarHBondContact O-N 2.75Å; M15-V17 PolarHBondContact O-N 3.29Å; M15-D18 PolarHBondContact O-N 3.09Å; M15-Y19 HydrophobicContact CB-CD2 4.37Å; M15-Y19 HydrophobicContact CB-CE2 4.25Å; M15-Y19 WeakPolarHBondContact O-CB 3.46Å; M15-Y19 WeakPolarHBondContact O-CD2 3.27Å; M15-Y19 PolarHBondContact O-N 3.08Å
16M88.1Confident88Confident127 Ų127114 Ų11463%0.62651%0.508SS*.Hα-helixtrans-61.8-42.2176.5-177.1-176.567.700112.6L12 R13 G14 K20L12-M16 WeakPolarHBondContact O-CB 3.28Å; L12-M16 PolarHBondContact O-N 3.28Å; R13-M16 PolarHBondContact O-N 2.96Å; G14-M16 VanDerWaalsContact C-N 3.29Å; G14-M16 PolarHBondContact O-N 3.44Å; M16-K20 WeakPolarHBondContact O-CB 3.39Å; M16-K20 PolarHBondContact O-N 3.2Å
17V89.6Confident87.7Confident87 Ų87115.7 Ų115.753%0.52751%0.514SS..Hα-helixtrans-65.5-41.6175170.20000110.8R13 G14 M15 K20 R21R13-V17 WeakPolarHBondContact O-CG2 3.26Å; R13-V17 PolarHBondContact O-N 2.89Å; G14-V17 PolarHBondContact O-N 3.11Å; G14-V17 VanDerWaalsContact O-N 3.08Å; M15-V17 PolarHBondContact O-N 3.29Å; V17-K20 PolarHBondContact O-N 2.86Å; V17-R21 VanDerWaalsContact O-CB 3.31Å; V17-R21 WeakPolarHBondContact O-CB 3.3Å; V17-R21 PolarHBondContact O-N 2.85Å
18D88.9Confident87.4Confident86 Ų86114 Ų11446%0.4651%0.509SS..Hα-helixtrans-67.5-38.8177.6-71.3-29.3000112.5G14 M15 R21 R22G14-D18 PolarHBondContact O-N 3.01Å; M15-D18 PolarHBondContact O-N 3.09Å; D18-R21 PolarHBondContact O-N 3.22Å; D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.06Å
19Y88.1Confident86.9Confident154 Ų154114.9 Ų114.960%0.60451%0.508SS*.Hα-helixtrans-62.7-43.1171.7-79.3-61.2000111.6M15 R22 G23M15-Y19 HydrophobicContact CB-CD2 4.37Å; M15-Y19 HydrophobicContact CB-CE2 4.25Å; M15-Y19 WeakPolarHBondContact O-CB 3.46Å; M15-Y19 WeakPolarHBondContact O-CD2 3.27Å; M15-Y19 PolarHBondContact O-N 3.08Å; Y19-R22 VanDerWaalsContact CD1-NH1 3.3Å; Y19-R22 PolarHBondContact O-N 2.9Å; Y19-G23 PolarHBondContact O-N 2.91Å
20K88.9Confident86.2Confident139 Ų139118.4 Ų118.460%0.60452%0.519SS*.Hα-helixtrans-61.9-49.4175.4-171.3-178.1178.4-165.40111.4M16 V17 R22 G23 E24M16-K20 WeakPolarHBondContact O-CB 3.39Å; M16-K20 PolarHBondContact O-N 3.2Å; V17-K20 PolarHBondContact O-N 2.86Å; K20-R22 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 3.39Å; K20-G23 CarbonylContact O-C 3.57Å; K20-G23 WeakPolarHBondContact O-CA 3.43Å; K20-G23 PolarHBondContact O-N 3.28Å; K20-G23 VanDerWaalsContact O-N 3.13Å; K20-E24 WeakPolarHBondContact CE-OE1 3.18Å; K20-E24 IonicContact NZ-OE1 3.85Å; K20-E24 WeakPolarHBondContact O-CG 3.37Å; K20-E24 PolarHBondContact O-N 2.83Å
21R86.8Confident85.8Confident164 Ų164116.4 Ų116.462%0.61952%0.518SS*.Hα-helixtrans-68.6-29.1-179.6-163.5177.2-172.2-172.42.1113V17 D18 R25V17-R21 VanDerWaalsContact O-CB 3.31Å; V17-R21 WeakPolarHBondContact O-CB 3.3Å; V17-R21 PolarHBondContact O-N 2.85Å; D18-R21 PolarHBondContact O-N 3.22Å; R21-R25 WeakPolarHBondContact O-CG 3.21Å; R21-R25 PolarHBondContact O-N 3.16Å; R21-R25 VanDerWaalsContact O-N 3.11Å; R21-R25 PolarHBondContact O-NE 2.94Å
22R85.6Confident85.1Confident92 Ų92118.7 Ų118.735%0.34753%0.527SS..Hα-helixtrans-72-39.3170-173.8-174.9-67.7129.1-3.2110.9D18 Y19 K20 R26D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.06Å; Y19-R22 VanDerWaalsContact CD1-NH1 3.3Å; Y19-R22 PolarHBondContact O-N 2.9Å; K20-R22 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 3.39Å; R22-R26 WeakPolarHBondContact O-CG 3.43Å; R22-R26 PolarHBondContact O-N 2.81Å
23G88.1Confident84.1Confident29 Ų29118 Ų11830%0.29952%0.523SS..Hα-helixtrans-64.8-41.1173.100000113Y19 K20 R26 R27Y19-G23 PolarHBondContact O-N 2.91Å; K20-G23 CarbonylContact O-C 3.57Å; K20-G23 WeakPolarHBondContact O-CA 3.43Å; K20-G23 PolarHBondContact O-N 3.28Å; K20-G23 VanDerWaalsContact O-N 3.13Å; G23-R26 PolarHBondContact O-N 2.93Å; G23-R27 WeakPolarHBondContact O-CB 3.42Å; G23-R27 PolarHBondContact O-N 2.84Å
24E85.3Confident83.2Confident67 Ų67118.9 Ų118.931%0.31353%0.531SS..Hα-helixtrans-62.7-49.7173.8-74.6165.317000110.9K20 R26 R27 E28K20-E24 WeakPolarHBondContact CE-OE1 3.18Å; K20-E24 IonicContact NZ-OE1 3.85Å; K20-E24 WeakPolarHBondContact O-CG 3.37Å; K20-E24 PolarHBondContact O-N 2.83Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.31Å; E24-R27 CarbonylContact O-C 3.58Å; E24-R27 WeakPolarHBondContact O-CA 3.24Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.78Å; E24-E28 WeakPolarHBondContact O-CG 3.33Å; E24-E28 PolarHBondContact O-N 3.43Å
25R87.2Confident82Confident145 Ų145121.6 Ų121.655%0.54753%0.534SS..Hα-helixtrans-59.7-38.2174.5-74.6-177.7-63.2122.1-9.8114.1R21 Y29R21-R25 WeakPolarHBondContact O-CG 3.21Å; R21-R25 PolarHBondContact O-N 3.16Å; R21-R25 VanDerWaalsContact O-N 3.11Å; R21-R25 PolarHBondContact O-NE 2.94Å; R25-Y29 VanDerWaalsContact O-CB 3.29Å; R25-Y29 WeakPolarHBondContact O-CB 3.22Å; R25-Y29 PolarHBondContact O-N 3.44Å
26R81.3Confident81.4Confident150 Ų150122.3 Ų122.357%0.56654%0.54SS*.Hα-helixtrans-64-42.5172.5-75.5179-170.9161.5-2.1111R22 G23 E24 Y29 Y30R22-R26 WeakPolarHBondContact O-CG 3.43Å; R22-R26 PolarHBondContact O-N 2.81Å; G23-R26 PolarHBondContact O-N 2.93Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.31Å; R26-Y29 PolarHBondContact O-N 3.38Å; R26-Y30 HydrophobicContact CB-CD2 4.41Å; R26-Y30 HydrophobicContact CB-CE2 4.34Å; R26-Y30 WeakPolarHBondContact O-CD2 3.44Å; R26-Y30 PolarHBondContact O-N 3.29Å
27R81.6Confident80.3Confident148 Ų148120.9 Ų120.956%0.55854%0.54SS*.Hα-helixtrans-63-45.8176.9-169.5-173.1-59.4134.43111.2G23 E24 Y29 Y30 E31G23-R27 WeakPolarHBondContact O-CB 3.42Å; G23-R27 PolarHBondContact O-N 2.84Å; E24-R27 CarbonylContact O-C 3.58Å; E24-R27 WeakPolarHBondContact O-CA 3.24Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.78Å; R27-Y29 PolarHBondContact O-N 3.2Å; R27-Y30 PolarHBondContact O-N 3.07Å; R27-E31 HydrophobicContact CG-CG 4.4Å; R27-E31 WeakPolarHBondContact O-CB 3.12Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 2.99Å
28E78.9Confident79Confident122 Ų122119.6 Ų119.657%0.5754%0.538SS*.Hα-helixtrans-61.2-41.9176.1-70163.9-177.900111.9E24 K32E24-E28 WeakPolarHBondContact O-CG 3.33Å; E24-E28 PolarHBondContact O-N 3.43Å; E28-K32 VanDerWaalsContact O-CB 3.3Å; E28-K32 WeakPolarHBondContact O-CB 3.29Å; E28-K32 PolarHBondContact O-N 2.81Å
29Y79.8Confident77.9Confident143 Ų143121.4 Ų121.456%0.56154%0.544SS*.Hα-helixtrans-61.6-50.8174.1176.3-96.2000111.7R25 R26 R27 K32 I33R25-Y29 VanDerWaalsContact O-CB 3.29Å; R25-Y29 WeakPolarHBondContact O-CB 3.22Å; R25-Y29 PolarHBondContact O-N 3.44Å; R26-Y29 PolarHBondContact O-N 3.38Å; R27-Y29 PolarHBondContact O-N 3.2Å; Y29-K32 PolarHBondContact O-N 2.61Å; Y29-I33 HydrophobicContact CD1-CD1 4.08Å; Y29-I33 HydrophobicContact CD2-CD1 3.89Å; Y29-I33 HydrophobicContact CE1-CD1 3.6Å; Y29-I33 HydrophobicContact CE2-CD1 3.39Å; Y29-I33 HydrophobicContact CG-CD1 4.21Å; Y29-I33 PolarHBondContact O-N 2.96Å; Y29-I33 VanDerWaalsContact O-N 3.09Å
30Y77.2Confident76.6Confident149 Ų149120.1 Ų120.158%0.58454%0.542SS*.Hα-helixtrans-67.5-36.3178.1-70.3-56.8000112.5R26 R27 K32 I33 K34R26-Y30 HydrophobicContact CB-CD2 4.41Å; R26-Y30 HydrophobicContact CB-CE2 4.34Å; R26-Y30 WeakPolarHBondContact O-CD2 3.44Å; R26-Y30 PolarHBondContact O-N 3.29Å; R27-Y30 PolarHBondContact O-N 3.07Å; Y30-K32 VanDerWaalsContact C-N 3.33Å; Y30-K32 PolarHBondContact O-N 3.09Å; Y30-I33 PolarHBondContact O-N 3.02Å; Y30-K34 WeakPolarHBondContact O-CA 3.36Å; Y30-K34 WeakPolarHBondContact O-CB 3.38Å; Y30-K34 PolarHBondContact O-N 2.92Å
31E79.1Confident75.7Confident136 Ų136119.5 Ų119.564%0.63654%0.544SS*.Hα-helixtrans-67.8-31.7173.9-78.5-173.8162.500112.5R27R27-E31 HydrophobicContact CG-CG 4.4Å; R27-E31 WeakPolarHBondContact O-CB 3.12Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 2.99Å
32K76.6Confident74.7Confident190 Ų190116.5 Ų116.583%0.82654%0.537SS*.Hα-helixtrans-71.5-33.1174.8-170.9-177.3177.7-167.10112.8E28 Y29 Y30E28-K32 VanDerWaalsContact O-CB 3.3Å; E28-K32 WeakPolarHBondContact O-CB 3.29Å; E28-K32 PolarHBondContact O-N 2.81Å; Y29-K32 PolarHBondContact O-N 2.61Å; Y30-K32 VanDerWaalsContact C-N 3.33Å; Y30-K32 PolarHBondContact O-N 3.09Å
33I69.1Low74.3Confident95 Ų95117.9 Ų117.949%0.48756%0.556SS.*Hα-helixtrans-94.2-23.6-177.5-67.1171.5000112.1Y29 Y30 K35Y29-I33 HydrophobicContact CD1-CD1 4.08Å; Y29-I33 HydrophobicContact CD2-CD1 3.89Å; Y29-I33 HydrophobicContact CE1-CD1 3.6Å; Y29-I33 HydrophobicContact CE2-CD1 3.39Å; Y29-I33 HydrophobicContact CG-CD1 4.21Å; Y29-I33 PolarHBondContact O-N 2.96Å; Y29-I33 VanDerWaalsContact O-N 3.09Å; Y30-I33 PolarHBondContact O-N 3.02Å; I33-K35 PolarHBondContact O-N 3.34Å
34K71.4Confident73.7Confident167 Ų167123.2 Ų123.273%0.72657%0.573SS**  trans-73.373.1172.5-171.5179.8-177.1-178.50110.2Y30Y30-K34 WeakPolarHBondContact O-CA 3.36Å; Y30-K34 WeakPolarHBondContact O-CB 3.38Å; Y30-K34 PolarHBondContact O-N 2.92Å
35K64.8Low73.4Confident87 Ų87123.6 Ų123.638%0.37860%0.595SS.*  trans-49149.3154.2-70.3-173.3-179.7-174.30109I33 F40I33-K35 PolarHBondContact O-N 3.34Å; K35-F40 HydrophobicContact CB-CE2 3.95Å; K35-F40 HydrophobicContact CB-CZ 4.17Å; K35-F40 HydrophobicContact CD-CZ 3.9Å
36D72.6Confident72.8Confident92 Ų92128.7 Ų128.749%0.49261%0.614SS.*  trans-65.6126.6176.9-176.3-14.6000108A38 Q39D36-A38 PolarHBondContact O-N 3.29Å; D36-A38 WeakPolarHBondContact OD1-CB 3.32Å; D36-A38 PolarHBondContact OD1-N 2.83Å; D36-Q39 HydrophobicContact CB-CG 4.08Å; D36-Q39 VanDerWaalsContact O-CB 3.27Å; D36-Q39 WeakPolarHBondContact O-CB 3.47Å; D36-Q39 PolarHBondContact O-N 2.83Å
37P65.9Low72.6Confident97 Ų97127.7 Ų127.763%0.6363%0.63SS**G310 helixtrans-56.2-2217622.3-33.8000113.2Q39 F40P37-Q39 VanDerWaalsContact C-N 3.26Å; P37-Q39 PolarHBondContact O-N 2.81Å; P37-F40 PolarHBondContact O-N 3.3Å
38A62Low72Confident60 Ų60129.8 Ų129.850%0.49664%0.639SS.*G310 helixtrans-68.8-18.1171.600000114.2D36 F40 L41D36-A38 PolarHBondContact O-N 3.29Å; D36-A38 WeakPolarHBondContact OD1-CB 3.32Å; D36-A38 PolarHBondContact OD1-N 2.83Å; A38-F40 VanDerWaalsContact C-N 3.27Å; A38-F40 PolarHBondContact O-N 3.06Å; A38-L41 PolarHBondContact O-N 3.42Å
39Q64.8Low71.9Confident124 Ų124130.9 Ų130.958%0.57964%0.642SS**G310 helixtrans-70.4-22.5173.9-71.4169.1-16.600112.7D36 P37D36-Q39 HydrophobicContact CB-CG 4.08Å; D36-Q39 VanDerWaalsContact O-CB 3.27Å; D36-Q39 WeakPolarHBondContact O-CB 3.47Å; D36-Q39 PolarHBondContact O-N 2.83Å; P37-Q39 VanDerWaalsContact C-N 3.26Å; P37-Q39 PolarHBondContact O-N 2.81Å
40F61.8Low71.7Confident127 Ų127129.9 Ų129.956%0.55765%0.645SS**G310 helixtrans-94.6-2.5175.6-56.7-74.8000113.1K35 P37 A38 Q42K35-F40 HydrophobicContact CB-CE2 3.95Å; K35-F40 HydrophobicContact CB-CZ 4.17Å; K35-F40 HydrophobicContact CD-CZ 3.9Å; P37-F40 PolarHBondContact O-N 3.3Å; A38-F40 VanDerWaalsContact C-N 3.27Å; A38-F40 PolarHBondContact O-N 3.06Å; F40-Q42 PolarHBondContact O-N 2.82Å; F40-Q42 VanDerWaalsContact O-N 3.17Å
41L70.5Confident71.7Confident126 Ų126125.9 Ų125.966%0.6663%0.631SS**  trans-87.281.9179.6-171.672.9000110A38 V43A38-L41 PolarHBondContact O-N 3.42Å; L41-V43 HydrophobicContact CD2-CG2 4.16Å; L41-V43 HydrophobicContact CG-CG2 4.01Å; L41-V43 PolarHBondContact O-N 2.95Å
42Q65.3Low71.7Confident100 Ų100127.2 Ų127.247%0.46764%0.642SS.*  trans-72.4112.1173-149.7-177.426.900109.5F40 H44 E140F40-Q42 PolarHBondContact O-N 2.82Å; F40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-H44 PolarHBondContact OE1-NE2 3.39Å; Q42-E140 PolarHBondContact NE2-OE2 3.04Å
43V76.3Confident72Confident122 Ų122122.1 Ų122.174%0.73962%0.624SS**  trans-101.795.3178.4-177.60000109.3L41L41-V43 HydrophobicContact CD2-CG2 4.16Å; L41-V43 HydrophobicContact CG-CG2 4.01Å; L41-V43 PolarHBondContact O-N 2.95Å
44H76.8Confident72.6Confident141 Ų141122 Ų12265%0.65363%0.63SS**  trans-78.8132.2171.7-68.7-69.8000110.7Q42Q42-H44 PolarHBondContact OE1-NE2 3.39Å
45G78.4Confident73.1Confident75 Ų75117.1 Ų117.177%0.77362%0.62SS**  trans-147.6134.6-178.200000112.7
46R73.9Confident73.9Confident251 Ų251116.3 Ų116.395%0.94762%0.622SS**  trans-92.4139.1167.8-73.3179.9166.5177.2-4.9109.4Y48R46-Y48 PolarHBondContact O-N 3.22Å; R46-Y48 VanDerWaalsContact O-N 3.15Å
47S77.7Confident74.3Confident129 Ų129113 Ų11390%0.90261%0.607SS**  trans-68.2111.217747.50000110.5
48Y68.9Low74.9Confident193 Ų193114.3 Ų114.376%0.75761%0.609SS**  trans-124.6137.3173.7-162.4-92.1000110R46 I50R46-Y48 PolarHBondContact O-N 3.22Å; R46-Y48 VanDerWaalsContact O-N 3.15Å; Y48-I50 VanDerWaalsContact C-N 3.3Å; Y48-I50 HydrophobicContact CD1-CG1 3.83Å; Y48-I50 PolarHBondContact O-N 2.79Å
49K76.3Confident75.8Confident144 Ų144113.7 Ų113.763%0.62660%0.604SS**  trans-81.876.6-178.7-167.4-175.6179-168.40109.4H51K49-H51 PolarHBondContact O-CD2 3.42Å; K49-H51 PolarHBondContact O-N 2.9Å
50I75.6Confident76.3Confident123 Ų123109 Ų10963%0.63159%0.585SS**  trans-72.9112.1-178.4-56.8172.4000109.9Y48 L52Y48-I50 VanDerWaalsContact C-N 3.3Å; Y48-I50 HydrophobicContact CD1-CG1 3.83Å; Y48-I50 PolarHBondContact O-N 2.79Å; I50-L52 HydrophobicContact CG2-CG 4.27Å; I50-L52 PolarHBondContact O-N 3.26Å
51H77.9Confident77.2Confident64 Ų64109.4 Ų109.430%0.29659%0.589SS.*  trans-8595.6168.9-69.1-79.8000109.3K49 D53 A57K49-H51 PolarHBondContact O-CD2 3.42Å; K49-H51 PolarHBondContact O-N 2.9Å; H51-D53 VanDerWaalsContact C-N 3.27Å; H51-D53 PolarHBondContact O-N 3.28Å; H51-A57 HydrophobicContact CB-CB 3.8Å
52L78.7Confident77.8Confident165 Ų165105.2 Ų105.286%0.86457%0.571SS**  trans-66.2-24.2-177.3-76.1121.8000114.5I50I50-L52 HydrophobicContact CG2-CG 4.27Å; I50-L52 PolarHBondContact O-N 3.26Å
53D83.3Confident78.6Confident82 Ų82106 Ų10644%0.43959%0.585SS.*SBendtrans-95.7118.5175.3-179.9-8.1000108.8H51 A55 V56 A57H51-D53 VanDerWaalsContact C-N 3.27Å; H51-D53 PolarHBondContact O-N 3.28Å; D53-A55 PolarHBondContact O-N 2.86Å; D53-A55 WeakPolarHBondContact OD1-CB 3.47Å; D53-A55 PolarHBondContact OD1-N 3.03Å; D53-V56 HydrophobicContact CB-CB 4.06Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 WeakPolarHBondContact O-CA 3.4Å; D53-V56 PolarHBondContact O-N 2.75Å; D53-A57 PolarHBondContact O-N 2.97Å
54P81.9Confident79Confident94 Ų94103.5 Ų103.561%0.6158%0.576SS**Hα-helixtrans-60.6-27.4178.925.1-34.2000112.8V56 A57 L58P54-V56 VanDerWaalsContact C-N 3.34Å; P54-A57 PolarHBondContact O-N 2.78Å; P54-L58 WeakPolarHBondContact O-CB 3.41Å; P54-L58 VanDerWaalsContact O-CG 3.25Å; P54-L58 WeakPolarHBondContact O-CG 3.29Å; P54-L58 PolarHBondContact O-N 2.74Å
55A82.6Confident79.3Confident64 Ų6499.3 Ų99.353%0.52956%0.559SS.*Hα-helixtrans-69.2-33.7173.700000112D53 A59D53-A55 PolarHBondContact O-N 2.86Å; D53-A55 WeakPolarHBondContact OD1-CB 3.47Å; D53-A55 PolarHBondContact OD1-N 3.03Å; A55-A59 WeakPolarHBondContact O-CB 3.23Å; A55-A59 PolarHBondContact O-N 3.46Å
56V80.6Confident79.8Confident70 Ų7098 Ų9842%0.42453%0.533SS..Hα-helixtrans-75.8-35.7175.2-179.40000111.1D53 P54 A59 A60D53-V56 HydrophobicContact CB-CB 4.06Å; D53-V56 HydrophobicContact CB-CG2 3.79Å; D53-V56 WeakPolarHBondContact O-CA 3.4Å; D53-V56 PolarHBondContact O-N 2.75Å; P54-V56 VanDerWaalsContact C-N 3.34Å; V56-A59 PolarHBondContact O-N 2.69Å; V56-A60 WeakPolarHBondContact O-CB 3.46Å; V56-A60 PolarHBondContact O-N 2.92Å
57A80.2Confident80.4Confident21 Ų2188.8 Ų88.817%0.17450%0.501CS..Hα-helixtrans-61.7-53.8172.900000111.1H51 D53 P54 A59 A60 E61H51-A57 HydrophobicContact CB-CB 3.8Å; D53-A57 PolarHBondContact O-N 2.97Å; P54-A57 PolarHBondContact O-N 2.78Å; A57-A59 VanDerWaalsContact C-N 3.25Å; A57-A59 PolarHBondContact O-N 3.16Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-E61 PolarHBondContact O-N 2.9Å
58L80.4Confident80.8Confident126 Ų12685.9 Ų85.966%0.6648%0.479SS*.Hα-helixtrans-62-30.5177.1-69.1170.4000113.1P54 S62P54-L58 WeakPolarHBondContact O-CB 3.41Å; P54-L58 VanDerWaalsContact O-CG 3.25Å; P54-L58 WeakPolarHBondContact O-CG 3.29Å; P54-L58 PolarHBondContact O-N 2.74Å; L58-S62 PolarHBondContact O-N 3.19Å
59A79.8Confident81.6Confident47 Ų4779.4 Ų79.439%0.38845%0.454SS..Hα-helixtrans-73.9-37.3172.800000112.5A55 V56 A57 S62 N65A55-A59 WeakPolarHBondContact O-CB 3.23Å; A55-A59 PolarHBondContact O-N 3.46Å; V56-A59 PolarHBondContact O-N 2.69Å; A57-A59 VanDerWaalsContact C-N 3.25Å; A57-A59 PolarHBondContact O-N 3.16Å; A59-S62 VanDerWaalsContact O-CB 3.24Å; A59-S62 WeakPolarHBondContact O-CB 3.34Å; A59-S62 PolarHBondContact O-N 3.35Å; A59-N65 PolarHBondContact O-ND2 2.93Å
60A76.3Confident81.6Confident24 Ų2477 Ų7720%0.19844%0.444CS..Hα-helixtrans-69.4-43.6177.200000111.6V56 A57 S62 M66V56-A60 WeakPolarHBondContact O-CB 3.46Å; V56-A60 PolarHBondContact O-N 2.92Å; A57-A60 PolarHBondContact O-N 3.46Å; A60-S62 PolarHBondContact O-N 2.92Å; A60-M66 WeakPolarHBondContact O-CG 3.04Å; A60-M66 VanDerWaalsContact O-SD 3.39Å
61E79.8Confident81.5Confident137 Ų13775.3 Ų75.364%0.6446%0.458SS*.SBendtrans-79-0177-65.9173.8-176.100113.3A57A57-E61 PolarHBondContact O-N 2.9Å
62S84.1Confident81.4Confident38 Ų3875.3 Ų75.327%0.26646%0.46SS..SBendtrans-60.5135.8-179.8-1750000111.4L58 A59 A60 A64 N65 M66L58-S62 PolarHBondContact O-N 3.19Å; A59-S62 VanDerWaalsContact O-CB 3.24Å; A59-S62 WeakPolarHBondContact O-CB 3.34Å; A59-S62 PolarHBondContact O-N 3.35Å; A60-S62 PolarHBondContact O-N 2.92Å; S62-A64 PolarHBondContact O-N 2.89Å; S62-N65 CarbonylContact O-C 3.56Å; S62-N65 PolarHBondContact O-N 2.99Å; S62-M66 PolarHBondContact O-N 2.69Å
63P81.9Confident81.4Confident117 Ų11771.1 Ų71.176%0.7645%0.449SS*.THydrogen-bonded Turntrans-57.8-12.2173.8-26.535.2000115.4
64A83.6Confident81.4Confident68 Ų6874.3 Ų74.356%0.56247%0.466SS*.THydrogen-bonded Turntrans-81.6-23.8172.200000113.6S62S62-A64 PolarHBondContact O-N 2.89Å
65N84.6Confident81.4Confident54 Ų5473.7 Ų73.729%0.28946%0.458SS..THydrogen-bonded Turntrans-107.6-15.5179.5-71.2-29000112.8A59 S62 D78 R79A59-N65 PolarHBondContact O-ND2 2.93Å; S62-N65 CarbonylContact O-C 3.56Å; S62-N65 PolarHBondContact O-N 2.99Å; N65-D78 CarbonylContact O-C 3.58Å; N65-R79 WeakPolarHBondContact O-CB 3.49Å; N65-R79 PolarHBondContact O-N 3.48Å
66M87Confident81.6Confident46 Ų4674.6 Ų74.623%0.22745%0.452CS..EExtended strand (participates in β ladder)trans-98.8144.8173.1-61.2-60.2-67.100110.8A60 S62 M76 I77A60-M66 WeakPolarHBondContact O-CG 3.04Å; A60-M66 VanDerWaalsContact O-SD 3.39Å; S62-M66 PolarHBondContact O-N 2.69Å; M66-M76 HydrophobicContact CB-CB 4.41Å; M66-M76 HydrophobicContact CB-CE 3.84Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.38Å; M66-I77 CarbonylContact C-O 3.59Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å
67M86.8Confident81.8Confident58 Ų5871.7 Ų71.729%0.28643%0.434SS..EExtended strand (participates in β ladder)trans-141.8149.2174.761.8-175.5-76.200111.4I77 R79 A84M67-I77 HydrophobicContact CG-CD1 4.49Å; M67-I77 HydrophobicContact CG-CG1 4.04Å; M67-I77 PolarHBondContact N-O 2.82Å; M67-I77 WeakPolarHBondContact O-CG1 3.27Å; M67-I77 PolarHBondContact O-N 2.98Å; M67-R79 HydrophobicContact CG-CB 4.26Å; M67-R79 HydrophobicContact SD-CB 3.95Å; M67-R79 HydrophobicContact SD-CG 3.84Å; M67-A84 HydrophobicContact CE-CB 4.06Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.54Å; M67-A84 VanDerWaalsContact SD-CB 3.54Å
68P87.3Confident82.2Confident68 Ų6872.9 Ų72.944%0.44244%0.438SS..EExtended strand (participates in β ladder)trans-64.7145.4-178.826.5-35.1000111.5M76P68-M76 HydrophobicContact CB-SD 4.06Å
69W84.4Confident82.5Confident58 Ų5873.4 Ų73.422%0.2243%0.431CS..EExtended strand (participates in β ladder)trans-65.7147.6173.4-179.2-107.2000111.3G71 D72 N75 I77 R83 I89W69-G71 PolarHBondContact O-N 3.23Å; W69-D72 WeakPolarHBondContact CB-O 3.22Å; W69-D72 PolarHBondContact N-O 2.96Å; W69-D72 PolarHBondContact O-N 2.94Å; W69-N75 HydrophobicContact CB-CB 4.02Å; W69-N75 WeakPolarHBondContact CB-O 3.5Å; W69-N75 PolarHBondContact N-O 2.83Å; W69-I77 HydrophobicContact CE3-CD1 3.82Å; W69-I77 HydrophobicContact CE3-CG1 4.24Å; W69-I77 HydrophobicContact CE3-CG2 3.67Å; W69-I77 HydrophobicContact CZ3-CD1 4.05Å; W69-I77 HydrophobicContact CZ3-CG2 4.22Å; W69-R83 HydrophobicContact CH2-CB 3.87Å; W69-R83 HydrophobicContact CH2-CG 4.22Å; W69-R83 HydrophobicContact CZ3-CB 3.52Å; W69-R83 HydrophobicContact CZ3-CG 4.18Å; W69-I89 HydrophobicContact CH2-CD1 3.33Å; W69-I89 HydrophobicContact CZ2-CD1 3.47Å; W69-I89 VanDerWaalsContact CZ2-CD1 3.47Å; W69-I89 HydrophobicContact CZ2-CG2 4.4Å; W69-I89 HydrophobicContact CZ3-CD1 4.06Å
70Q76.8Confident82.5Confident92 Ų9277.8 Ų77.843%0.4344%0.441SS..THydrogen-bonded Turntrans-68.4105.5174.4-68.6-178.52.700110L86 I89Q70-L86 PolarHBondContact NE2-O 2.88Å; Q70-L86 PolarHBondContact OE1-O 3.31Å; Q70-I89 HydrophobicContact CB-CD1 4.48Å
71G73.2Confident83Confident89 Ų8978.7 Ų78.792%0.91844%0.443SS*.THydrogen-bonded Turntrans104.5-11.3179.400000115.3W69W69-G71 PolarHBondContact O-N 3.23Å
72D76.8Confident83.1Confident64 Ų6477.6 Ų77.634%0.34245%0.445SS..EExtended strand (participates in β ladder)trans-142.7110.2172.4-178.29.6000110.9W69 N74 N75W69-D72 WeakPolarHBondContact CB-O 3.22Å; W69-D72 PolarHBondContact N-O 2.96Å; W69-D72 PolarHBondContact O-N 2.94Å; D72-N74 PolarHBondContact O-N 3.02Å; D72-N74 WeakPolarHBondContact OD1-CB 3.24Å; D72-N74 PolarHBondContact OD1-N 3.46Å; D72-N74 PolarHBondContact OD1-ND2 2.87Å; D72-N75 HydrophobicContact CB-CB 4.31Å; D72-N75 PolarHBondContact O-N 3.27Å
73A78.1Confident82.9Confident77 Ų7781 Ų8164%0.63645%0.453SS*.EExtended strand (participates in β ladder)trans-73-14.6-179.900000113.7
74N82.4Confident82.8Confident149 Ų14976.3 Ų76.380%0.79742%0.423SS*.EExtended strand (participates in β ladder)trans-82-25177.7-53.5-63.9000112.1D72D72-N74 PolarHBondContact O-N 3.02Å; D72-N74 WeakPolarHBondContact OD1-CB 3.24Å; D72-N74 PolarHBondContact OD1-N 3.46Å; D72-N74 PolarHBondContact OD1-ND2 2.87Å
75N83.5Confident82.7Confident80 Ų8079.3 Ų79.343%0.42843%0.425SS..EExtended strand (participates in β ladder)trans-91.8104.5-179.6-170.5-4000109.9W69 D72W69-N75 HydrophobicContact CB-CB 4.02Å; W69-N75 WeakPolarHBondContact CB-O 3.5Å; W69-N75 PolarHBondContact N-O 2.83Å; D72-N75 HydrophobicContact CB-CB 4.31Å; D72-N75 PolarHBondContact O-N 3.27Å
76M85.6Confident82.6Confident84 Ų8480.3 Ų80.341%0.41443%0.43SS..EExtended strand (participates in β ladder)trans-92.3127.5-179.6-62.7-67.1-74.100110.6M66 P68M66-M76 HydrophobicContact CB-CB 4.41Å; M66-M76 HydrophobicContact CB-CE 3.84Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.38Å; P68-M76 HydrophobicContact CB-SD 4.06Å
77I85.9Confident82Confident8 Ų885.9 Ų85.94%0.04146%0.461CS..EExtended strand (participates in β ladder)trans-10815617357.7157.6000111.8M66 M67 W69 A84M66-I77 CarbonylContact C-O 3.59Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å; M67-I77 HydrophobicContact CG-CD1 4.49Å; M67-I77 HydrophobicContact CG-CG1 4.04Å; M67-I77 PolarHBondContact N-O 2.82Å; M67-I77 WeakPolarHBondContact O-CG1 3.27Å; M67-I77 PolarHBondContact O-N 2.98Å; W69-I77 HydrophobicContact CE3-CD1 3.82Å; W69-I77 HydrophobicContact CE3-CG1 4.24Å; W69-I77 HydrophobicContact CE3-CG2 3.67Å; W69-I77 HydrophobicContact CZ3-CD1 4.05Å; W69-I77 HydrophobicContact CZ3-CG2 4.22Å; I77-A84 HydrophobicContact CD1-CB 3.85Å
78D88.9Confident81.5Confident47 Ų4791 Ų9125%0.25148%0.478SS..EExtended strand (participates in β ladder)trans-61.7133.7170.1-175.8-24.2000109.5N65 F80 D81N65-D78 CarbonylContact O-C 3.58Å; D78-F80 PolarHBondContact O-N 3.48Å; D78-F80 WeakPolarHBondContact OD1-CB 3.17Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.36Å; D78-F80 PolarHBondContact OD1-N 2.87Å; D78-D81 HydrophobicContact CB-CB 4.26Å; D78-D81 WeakPolarHBondContact O-CB 3.2Å; D78-D81 PolarHBondContact O-N 2.87Å
79R85.2Confident80.8Confident136 Ų13690 Ų9051%0.51347%0.469SS..THydrogen-bonded Turntrans-65.5-17.7179.1-179.6169.9179.6-108.6-2.3113.1N65 M67N65-R79 WeakPolarHBondContact O-CB 3.49Å; N65-R79 PolarHBondContact O-N 3.48Å; M67-R79 HydrophobicContact CG-CB 4.26Å; M67-R79 HydrophobicContact SD-CB 3.95Å; M67-R79 HydrophobicContact SD-CG 3.84Å
80F81.1Confident80.3Confident139 Ų13991.7 Ų91.761%0.6149%0.487SS*.THydrogen-bonded Turntrans-97.11.3171.1-56.9-76.8000113.1D78D78-F80 PolarHBondContact O-N 3.48Å; D78-F80 WeakPolarHBondContact OD1-CB 3.17Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.36Å; D78-F80 PolarHBondContact OD1-N 2.87Å
81D85.4Confident80Confident44 Ų4492.3 Ų92.324%0.23550%0.497CS..SBendtrans-63.1133.2167.5-167.3-57.7000109.3D78 R83 A84D78-D81 HydrophobicContact CB-CB 4.26Å; D78-D81 WeakPolarHBondContact O-CB 3.2Å; D78-D81 PolarHBondContact O-N 2.87Å; D81-R83 VanDerWaalsContact CG-NE 3.33Å; D81-R83 PolarHBondContact O-N 3.2Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.31Å; D81-R83 VanDerWaalsContact OD1-CG 3.22Å; D81-R83 WeakPolarHBondContact OD1-CG 3.28Å; D81-R83 IonicContact OD1-CZ 3.46Å; D81-R83 PolarHBondContact OD1-N 3.01Å; D81-R83 IonicContact OD1-NE 2.75Å; D81-R83 PolarHBondContact OD1-NE 3.15Å; D81-R83 IonicContact OD1-NH2 3.76Å; D81-R83 IonicContact OD2-CZ 2.61Å; D81-R83 IonicContact OD2-NE 3.66Å; D81-R83 PolarHBondContact OD2-NE 3.31Å; D81-R83 VanDerWaalsContact OD2-NE 3.16Å; D81-R83 IonicContact OD2-NH2 3.28Å; D81-R83 PolarHBondContact OD2-NH2 2.61Å; D81-A84 VanDerWaalsContact O-CB 3.24Å; D81-A84 WeakPolarHBondContact O-CB 3.5Å; D81-A84 PolarHBondContact O-N 3.34Å
82V81.7Confident79.5Confident113 Ų11397.2 Ų97.269%0.68549%0.49SS*.G310 helixtrans-58.3-27.5-177.7179.30000111.8A84 H85V82-A84 VanDerWaalsContact C-N 3.27Å; V82-A84 PolarHBondContact O-N 2.86Å; V82-H85 PolarHBondContact O-N 3.2Å; V82-H85 VanDerWaalsContact O-N 3.08Å
83R81.4Confident79Confident111 Ų11198 Ų9842%0.41950%0.497SS..G310 helixtrans-65.5-28.5177.1-59.2172.5-68.3161.3-3.9112.7W69 D81 H85 L86W69-R83 HydrophobicContact CH2-CB 3.87Å; W69-R83 HydrophobicContact CH2-CG 4.22Å; W69-R83 HydrophobicContact CZ3-CB 3.52Å; W69-R83 HydrophobicContact CZ3-CG 4.18Å; D81-R83 VanDerWaalsContact CG-NE 3.33Å; D81-R83 PolarHBondContact O-N 3.2Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.31Å; D81-R83 VanDerWaalsContact OD1-CG 3.22Å; D81-R83 WeakPolarHBondContact OD1-CG 3.28Å; D81-R83 IonicContact OD1-CZ 3.46Å; D81-R83 PolarHBondContact OD1-N 3.01Å; D81-R83 IonicContact OD1-NE 2.75Å; D81-R83 PolarHBondContact OD1-NE 3.15Å; D81-R83 IonicContact OD1-NH2 3.76Å; D81-R83 IonicContact OD2-CZ 2.61Å; D81-R83 IonicContact OD2-NE 3.66Å; D81-R83 PolarHBondContact OD2-NE 3.31Å; D81-R83 VanDerWaalsContact OD2-NE 3.16Å; D81-R83 IonicContact OD2-NH2 3.28Å; D81-R83 PolarHBondContact OD2-NH2 2.61Å; R83-H85 PolarHBondContact O-N 3.42Å; R83-H85 VanDerWaalsContact O-N 3.16Å; R83-L86 HydrophobicContact CB-CD1 4.47Å; R83-L86 PolarHBondContact O-N 3.09Å
84A79.9Confident78.3Confident17 Ų1797.1 Ų97.114%0.1449%0.485CS..G310 helixtrans-65.7-11.8172.500000113.8M67 I77 D81 V82M67-A84 HydrophobicContact CE-CB 4.06Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.54Å; M67-A84 VanDerWaalsContact SD-CB 3.54Å; I77-A84 HydrophobicContact CD1-CB 3.85Å; D81-A84 VanDerWaalsContact O-CB 3.24Å; D81-A84 WeakPolarHBondContact O-CB 3.5Å; D81-A84 PolarHBondContact O-N 3.34Å; V82-A84 VanDerWaalsContact C-N 3.27Å; V82-A84 PolarHBondContact O-N 2.86Å
85H81.8Confident77.3Confident132 Ų13294.6 Ų94.661%0.61148%0.476SS*.G310 helixtrans-107.911.2178.4-60.2-17.8000113V82 R83V82-H85 PolarHBondContact O-N 3.2Å; V82-H85 VanDerWaalsContact O-N 3.08Å; R83-H85 PolarHBondContact O-N 3.42Å; R83-H85 VanDerWaalsContact O-N 3.16Å
86L81.3Confident76.1Confident75 Ų7598.8 Ų98.839%0.39350%0.498SS..  trans-88.3114.4170.6-60.5176.9000108.2Q70 R83 Y88 I89Q70-L86 PolarHBondContact NE2-O 2.88Å; Q70-L86 PolarHBondContact OE1-O 3.31Å; R83-L86 HydrophobicContact CB-CD1 4.47Å; R83-L86 PolarHBondContact O-N 3.09Å; L86-Y88 PolarHBondContact O-N 3.24Å; L86-I89 HydrophobicContact CB-CD1 4.34Å; L86-I89 HydrophobicContact CB-CG1 3.79Å; L86-I89 HydrophobicContact CD1-CD1 4.22Å; L86-I89 HydrophobicContact CD1-CG1 3.95Å
87D75.4Confident74.6Confident163 Ų163101.4 Ų101.487%0.87251%0.513SS*.SBendtrans-70.2-19.4178.4-58.6-43.8000112.2
88Y75.9Confident73.2Confident166 Ų166104.5 Ų104.565%0.65154%0.535SS*.  trans-148.1127.1174.9173.6-106.7000108.5L86 P90L86-Y88 PolarHBondContact O-N 3.24Å; Y88-P90 HydrophobicContact CD1-CG 4.21Å; Y88-P90 HydrophobicContact CE1-CB 4.11Å; Y88-P90 HydrophobicContact CE1-CG 3.82Å
89I71.4Confident71.6Confident47 Ų47108.8 Ų108.824%0.24156%0.563CS.*  trans-107.3116.2169.9-58.8-177.9000106W69 Q70 L86 T91W69-I89 HydrophobicContact CH2-CD1 3.33Å; W69-I89 HydrophobicContact CZ2-CD1 3.47Å; W69-I89 VanDerWaalsContact CZ2-CD1 3.47Å; W69-I89 HydrophobicContact CZ2-CG2 4.4Å; W69-I89 HydrophobicContact CZ3-CD1 4.06Å; Q70-I89 HydrophobicContact CB-CD1 4.48Å; L86-I89 HydrophobicContact CB-CD1 4.34Å; L86-I89 HydrophobicContact CB-CG1 3.79Å; L86-I89 HydrophobicContact CD1-CD1 4.22Å; L86-I89 HydrophobicContact CD1-CG1 3.95Å; I89-T91 PolarHBondContact O-N 2.78Å; I89-T91 VanDerWaalsContact O-N 3.15Å
90P74.2Confident70.5Confident92 Ų92104.5 Ų104.560%0.59755%0.554SS**  trans-54.8123.6175.8-23.932.5000109.8Y88 Y92Y88-P90 HydrophobicContact CD1-CG 4.21Å; Y88-P90 HydrophobicContact CE1-CB 4.11Å; Y88-P90 HydrophobicContact CE1-CG 3.82Å; P90-Y92 PolarHBondContact O-N 3.47Å
91T70.1Confident70.3Confident106 Ų106101.9 Ų101.965%0.6555%0.549SS*.  trans-55.1130167.5470000108I89 T93I89-T91 PolarHBondContact O-N 2.78Å; I89-T91 VanDerWaalsContact O-N 3.15Å; T91-T93 VanDerWaalsContact C-N 3.31Å; T91-T93 PolarHBondContact O-N 2.99Å
92Y64.5Low70Confident192 Ų192104.5 Ų104.575%0.75357%0.569SS**  trans-62.394.3175.6175.6-102.7000109.5P90 P94P90-Y92 PolarHBondContact O-N 3.47Å; Y92-P94 HydrophobicContact CE1-CB 4.47Å; Y92-P94 WeakPolarHBondContact O-CD 3.43Å
93T65.5Low69.9Low80 Ų80103.4 Ų103.449%0.49156%0.559SS.*  trans-72.4118.7167.145.80000106.9T91T91-T93 VanDerWaalsContact C-N 3.31Å; T91-T93 PolarHBondContact O-N 2.99Å
94P64.2Low69.9Low59 Ų59103 Ų10338%0.38356%0.562SS.*  trans-57.8147.6176.325.1-33.6000109.5Y92 L96 L97Y92-P94 HydrophobicContact CE1-CB 4.47Å; Y92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-L96 PolarHBondContact O-N 3.03Å; P94-L97 HydrophobicContact CG-CD1 4.44Å; P94-L97 PolarHBondContact O-N 3.05Å
95P61Low70Confident96 Ų96105.2 Ų105.262%0.62357%0.569SS**G310 helixtrans-50.1-29.7-171.9-31.435.7000115L97 S98P95-L97 PolarHBondContact O-N 2.89Å; P95-S98 PolarHBondContact O-N 3.27Å
96L57.2Low70.1Confident168 Ų168102.9 Ų102.988%0.8856%0.559SS**G310 helixtrans-59.1-14.7177.7-54.9178.3000115.6P94P94-L96 PolarHBondContact O-N 3.03Å
97L55.4Low70.3Confident139 Ų139103.8 Ų103.873%0.72856%0.562SS**G310 helixtrans-115.4-2.2-179.7-70.3172.3000113.8P94 P95P94-L97 HydrophobicContact CG-CD1 4.44Å; P94-L97 PolarHBondContact O-N 3.05Å; P95-L97 PolarHBondContact O-N 2.89Å
98S55.8Low70.8Confident72 Ų72100.2 Ų100.250%0.50354%0.54SS..  trans-95.7114.7175.4-166.70000109.1P95 S100P95-S98 PolarHBondContact O-N 3.27Å; S98-S100 VanDerWaalsContact C-N 3.29Å; S98-S100 PolarHBondContact O-N 3.44Å
99T55Low71.4Confident138 Ų13896.6 Ų96.685%0.84753%0.525SS*.  trans-69.193.3165.654.10000107.9T101T99-T101 PolarHBondContact O-N 2.96Å
100S62.3Low72.2Confident46 Ų4698.2 Ų98.232%0.32253%0.53SS..  trans-52.3126.2174.341.80000109.6S98 E105S98-S100 VanDerWaalsContact C-N 3.29Å; S98-S100 PolarHBondContact O-N 3.44Å; S100-E105 WeakPolarHBondContact OG-CG 3.44Å; S100-E105 PolarHBondContact OG-OE1 3.19Å
101T77Confident72.9Confident83 Ų8396.7 Ų96.751%0.50952%0.521SS..  trans-64.8149168.357.80000108.3T99 D103 H104 E105T99-T101 PolarHBondContact O-N 2.96Å; T101-D103 PolarHBondContact O-N 2.9Å; T101-D103 VanDerWaalsContact O-N 3.09Å; T101-H104 WeakPolarHBondContact O-CA 3.29Å; T101-H104 WeakPolarHBondContact O-CB 3.29Å; T101-H104 PolarHBondContact O-N 3.37Å; T101-H104 WeakPolarHBondContact OG1-CB 3.5Å; T101-H104 PolarHBondContact OG1-N 3.39Å; T101-E105 PolarHBondContact O-N 3.11Å
102P78.4Confident73.9Confident100 Ų10092.5 Ų92.565%0.64950%0.495SS*.Hα-helixtrans-58.2-28179.522-33.6000112.6M106P102-M106 WeakPolarHBondContact O-CB 3.37Å; P102-M106 PolarHBondContact O-N 2.84Å
103D79.3Confident75.2Confident90 Ų9083.4 Ų83.448%0.48146%0.459SS..Hα-helixtrans-66-43.4170.4-69.5-36.7000112.6T101 M106 E107T101-D103 PolarHBondContact O-N 2.9Å; T101-D103 VanDerWaalsContact O-N 3.09Å; D103-M106 PolarHBondContact O-N 3.22Å; D103-E107 WeakPolarHBondContact O-CG 3.45Å; D103-E107 PolarHBondContact O-N 3.35Å
104H81.7Confident76.3Confident103 Ų10385.9 Ų85.948%0.47747%0.465SS..Hα-helixtrans-63.3-43.2176-172.4-80.1000111.1T101 M106 E107 E108T101-H104 WeakPolarHBondContact O-CA 3.29Å; T101-H104 WeakPolarHBondContact O-CB 3.29Å; T101-H104 PolarHBondContact O-N 3.37Å; T101-H104 WeakPolarHBondContact OG1-CB 3.5Å; T101-H104 PolarHBondContact OG1-N 3.39Å; H104-M106 VanDerWaalsContact C-N 3.3Å; H104-M106 PolarHBondContact O-N 2.92Å; H104-E107 PolarHBondContact O-N 3.21Å; H104-E108 IonicContact CE1-OE2 3.44Å; H104-E108 IonicContact ND1-OE2 3.65Å; H104-E108 VanDerWaalsContact O-CB 3.29Å; H104-E108 WeakPolarHBondContact O-CB 3.38Å; H104-E108 PolarHBondContact O-N 3.43Å
105E83.4Confident77.6Confident63 Ų6390.5 Ų90.529%0.29448%0.475SS..Hα-helixtrans-63.7-36.8175.3-58.3-178.5-173.600112.3S100 T101 E108 R109S100-E105 WeakPolarHBondContact OG-CG 3.44Å; S100-E105 PolarHBondContact OG-OE1 3.19Å; T101-E105 PolarHBondContact O-N 3.11Å; E105-E108 PolarHBondContact O-N 2.82Å; E105-R109 WeakPolarHBondContact O-CB 3.44Å; E105-R109 VanDerWaalsContact O-CG 3.23Å; E105-R109 WeakPolarHBondContact O-CG 3.45Å; E105-R109 PolarHBondContact O-N 3.39Å; E105-R109 IonicContact OE2-CZ 3.57Å; E105-R109 IonicContact OE2-NH1 2.96Å; E105-R109 PolarHBondContact OE2-NH1 2.84Å; E105-R109 IonicContact OE2-NH2 3.43Å; E105-R109 PolarHBondContact OE2-NH2 2.81Å
106M82.5Confident79.1Confident82 Ų8289.9 Ų89.940%0.40446%0.461SS..Hα-helixtrans-68-36.8174.9175.7-176.742.300111.9P102 D103 H104 K110P102-M106 WeakPolarHBondContact O-CB 3.37Å; P102-M106 PolarHBondContact O-N 2.84Å; D103-M106 PolarHBondContact O-N 3.22Å; H104-M106 VanDerWaalsContact C-N 3.3Å; H104-M106 PolarHBondContact O-N 2.92Å; M106-K110 WeakPolarHBondContact O-CD 3.5Å; M106-K110 VanDerWaalsContact O-CG 3.27Å; M106-K110 WeakPolarHBondContact O-CG 3.45Å; M106-K110 PolarHBondContact O-N 3.06Å; M106-K110 PolarHBondContact SD-NZ 3.34Å; M106-K110 VanDerWaalsContact SD-NZ 3.39Å
107E86.1Confident80.6Confident95 Ų9584.6 Ų84.644%0.44443%0.429SS..Hα-helixtrans-69-40.2173-72.8-176.7176.800111.2D103 H104 K110 C111D103-E107 WeakPolarHBondContact O-CG 3.45Å; D103-E107 PolarHBondContact O-N 3.35Å; H104-E107 PolarHBondContact O-N 3.21Å; E107-K110 WeakPolarHBondContact O-CB 3.27Å; E107-K110 PolarHBondContact O-N 3.4Å; E107-C111 PolarHBondContact O-N 2.64Å; E107-C111 PolarHBondContact O-SG 3.49Å; E107-C111 VanDerWaalsContact O-SG 3.42Å
108E86.2Confident82Confident87 Ų8779.9 Ų79.941%0.40741%0.414SS..Hα-helixtrans-65.3-44.6176.4-175.4161.6-157.900112.6H104 E105 K110 C111 N112H104-E108 IonicContact CE1-OE2 3.44Å; H104-E108 IonicContact ND1-OE2 3.65Å; H104-E108 VanDerWaalsContact O-CB 3.29Å; H104-E108 WeakPolarHBondContact O-CB 3.38Å; H104-E108 PolarHBondContact O-N 3.43Å; E105-E108 PolarHBondContact O-N 2.82Å; E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.92Å; E108-C111 CarbonylContact O-C 3.56Å; E108-C111 WeakPolarHBondContact O-CB 3.4Å; E108-C111 PolarHBondContact O-N 2.82Å; E108-C111 VanDerWaalsContact O-N 3.09Å; E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.39Å; E108-N112 PolarHBondContact O-ND2 2.79Å
109R88.9Confident83.6Confident90 Ų9080.1 Ų80.134%0.3441%0.409SS..Hα-helixtrans-57.8-37172.3-72.9172.4-167111.65.7112.1E105 Y113 D230E105-R109 WeakPolarHBondContact O-CB 3.44Å; E105-R109 VanDerWaalsContact O-CG 3.23Å; E105-R109 WeakPolarHBondContact O-CG 3.45Å; E105-R109 PolarHBondContact O-N 3.39Å; E105-R109 IonicContact OE2-CZ 3.57Å; E105-R109 IonicContact OE2-NH1 2.96Å; E105-R109 PolarHBondContact OE2-NH1 2.84Å; E105-R109 IonicContact OE2-NH2 3.43Å; E105-R109 PolarHBondContact OE2-NH2 2.81Å; R109-Y113 PolarHBondContact O-N 3.19Å; R109-D230 WeakPolarHBondContact CD-OD2 3.43Å
110K88.3Confident85.2Confident82 Ų8273.5 Ų73.536%0.35737%0.369SS..Hα-helixtrans-69.9-41.7173.4-67.9163-167.9160.70111.9M106 E107 E108 N112 Y113 E114 M234M106-K110 WeakPolarHBondContact O-CD 3.5Å; M106-K110 VanDerWaalsContact O-CG 3.27Å; M106-K110 WeakPolarHBondContact O-CG 3.45Å; M106-K110 PolarHBondContact O-N 3.06Å; M106-K110 PolarHBondContact SD-NZ 3.34Å; M106-K110 VanDerWaalsContact SD-NZ 3.39Å; E107-K110 WeakPolarHBondContact O-CB 3.27Å; E107-K110 PolarHBondContact O-N 3.4Å; E108-K110 VanDerWaalsContact C-N 3.26Å; E108-K110 PolarHBondContact O-N 2.92Å; K110-N112 VanDerWaalsContact C-N 3.31Å; K110-N112 PolarHBondContact O-N 2.8Å; K110-Y113 WeakPolarHBondContact O-CB 3.37Å; K110-Y113 PolarHBondContact O-N 3.44Å; K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.77Å; K110-M234 HydrophobicContact CB-CE 4.39Å; K110-M234 HydrophobicContact CG-CE 4.07Å; K110-M234 HydrophobicContact CG-SD 4.44Å
111C88.9Confident86.3Confident60 Ų6072.2 Ų72.241%0.40536%0.358SS..Hα-helixtrans-63.3-38.1174.4-72.10000112E107 E108 E114 R115E107-C111 PolarHBondContact O-N 2.64Å; E107-C111 PolarHBondContact O-SG 3.49Å; E107-C111 VanDerWaalsContact O-SG 3.42Å; E108-C111 CarbonylContact O-C 3.56Å; E108-C111 WeakPolarHBondContact O-CB 3.4Å; E108-C111 PolarHBondContact O-N 2.82Å; E108-C111 VanDerWaalsContact O-N 3.09Å; C111-E114 PolarHBondContact O-N 3.47Å; C111-R115 WeakPolarHBondContact O-CB 3.48Å; C111-R115 WeakPolarHBondContact O-CD 3.28Å; C111-R115 WeakPolarHBondContact O-CG 3.39Å; C111-R115 PolarHBondContact O-N 3.23Å
112N90.6Very high86.8Confident17 Ų1769 Ų699%0.09134%0.338CS..Hα-helixtrans-68.2-39.4176.4-69.5-13.2000111.4E108 K110 R115 Y116 Y224 G225 M226E108-N112 WeakPolarHBondContact O-CB 3.38Å; E108-N112 PolarHBondContact O-N 3.39Å; E108-N112 PolarHBondContact O-ND2 2.79Å; K110-N112 VanDerWaalsContact C-N 3.31Å; K110-N112 PolarHBondContact O-N 2.8Å; N112-R115 PolarHBondContact O-N 3.27Å; N112-R115 PolarHBondContact OD1-NH1 2.86Å; N112-Y116 HydrophobicContact CB-CD2 4.01Å; N112-Y116 HydrophobicContact CB-CE2 4.22Å; N112-Y116 WeakPolarHBondContact O-CB 3.32Å; N112-Y116 WeakPolarHBondContact O-CD2 3.37Å; N112-Y116 PolarHBondContact O-N 3.45Å; N112-Y224 WeakPolarHBondContact CB-O 3.19Å; N112-G225 PolarHBondContact ND2-O 3.05Å; N112-G225 VanDerWaalsContact ND2-O 3.16Å; N112-M226 HydrophobicContact CB-CG 4.45Å
113Y91.6Very high87.2Confident1 Ų167.2 Ų67.20%0.00432%0.322CS..Hα-helixtrans-54.5-54.5168.2174.6-97.7000111.9R109 K110 R115 Y116 R117 M226 F231 M234 L235 D238R109-Y113 PolarHBondContact O-N 3.19Å; K110-Y113 WeakPolarHBondContact O-CB 3.37Å; K110-Y113 PolarHBondContact O-N 3.44Å; Y113-R115 VanDerWaalsContact C-N 3.31Å; Y113-R115 PolarHBondContact O-N 3.31Å; Y113-Y116 PolarHBondContact O-N 3.35Å; Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 4.5Å; Y113-R117 WeakPolarHBondContact O-CA 3.29Å; Y113-R117 WeakPolarHBondContact O-CB 3.27Å; Y113-R117 PolarHBondContact O-N 3.39Å; Y113-M226 HydrophobicContact CD2-SD 3.92Å; Y113-M226 HydrophobicContact CG-SD 4.42Å; Y113-F231 AromaticContact CD2-CD2 3.74Å; Y113-F231 HydrophobicContact CD2-CD2 3.74Å; Y113-F231 HydrophobicContact CD2-CE2 4.14Å; Y113-F231 AromaticContact CE2-CD2 3.75Å; Y113-F231 HydrophobicContact CE2-CD2 3.75Å; Y113-F231 AromaticContact CE2-CE2 3.87Å; Y113-F231 HydrophobicContact CE2-CE2 3.87Å; Y113-M234 HydrophobicContact CD1-CB 3.94Å; Y113-M234 HydrophobicContact CD1-CE 3.5Å; Y113-M234 HydrophobicContact CD1-CG 4.37Å; Y113-M234 HydrophobicContact CD2-CB 3.54Å; Y113-M234 HydrophobicContact CD2-CG 4.16Å; Y113-M234 HydrophobicContact CE1-CB 3.77Å; Y113-M234 HydrophobicContact CE1-CE 3.98Å; Y113-M234 HydrophobicContact CE2-CB 3.37Å; Y113-M234 HydrophobicContact CE2-CG 4.45Å; Y113-M234 HydrophobicContact CG-CB 3.82Å; Y113-M234 HydrophobicContact CG-CE 3.98Å; Y113-M234 HydrophobicContact CG-CG 4.11Å; Y113-M234 VanDerWaalsContact CZ-CB 3.48Å; Y113-L235 HydrophobicContact CE2-CG 4.24Å; Y113-L235 WeakPolarHBondContact OH-CA 3.27Å; Y113-L235 WeakPolarHBondContact OH-CD2 3.38Å; Y113-L235 PolarHBondContact OH-N 2.67Å; Y113-D238 VanDerWaalsContact CE1-OD2 3.29Å; Y113-D238 WeakPolarHBondContact CE1-OD2 3.44Å; Y113-D238 PolarHBondContact OH-OD2 3.2Å
114E89.7Confident87.5Confident133 Ų13365 Ų6562%0.62131%0.308SS*.Hα-helixtrans-62.1-35.5179.2-64.5-66.7153.200113.3K110 C111K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.77Å; C111-E114 PolarHBondContact O-N 3.47Å
115R91.1Very high87.6Confident156 Ų15662.6 Ų62.659%0.58931%0.307SS*.Hα-helixtrans-71-40.3178.5-74.7164-177.8168.2-2.2113C111 N112 Y113C111-R115 WeakPolarHBondContact O-CB 3.48Å; C111-R115 WeakPolarHBondContact O-CD 3.28Å; C111-R115 WeakPolarHBondContact O-CG 3.39Å; C111-R115 PolarHBondContact O-N 3.23Å; N112-R115 PolarHBondContact O-N 3.27Å; N112-R115 PolarHBondContact OD1-NH1 2.86Å; Y113-R115 VanDerWaalsContact C-N 3.31Å; Y113-R115 PolarHBondContact O-N 3.31Å
116Y91Very high87.6Confident82 Ų8266.3 Ų66.332%0.32233%0.329SS..Hα-helixtrans-114.5-1.3-165.7-55.8-56.9000113.7N112 Y113 G118 L119 V120 Y224N112-Y116 HydrophobicContact CB-CD2 4.01Å; N112-Y116 HydrophobicContact CB-CE2 4.22Å; N112-Y116 WeakPolarHBondContact O-CB 3.32Å; N112-Y116 WeakPolarHBondContact O-CD2 3.37Å; N112-Y116 PolarHBondContact O-N 3.45Å; Y113-Y116 PolarHBondContact O-N 3.35Å; Y116-G118 VanDerWaalsContact C-N 3.28Å; Y116-G118 PolarHBondContact O-N 3.25Å; Y116-L119 HydrophobicContact CD1-CD1 3.95Å; Y116-L119 PolarHBondContact O-N 2.84Å; Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.21Å; Y116-V120 PolarHBondContact O-N 3.26Å; Y116-Y224 AromaticContact CD1-CD1 3.84Å; Y116-Y224 HydrophobicContact CD1-CD1 3.84Å; Y116-Y224 HydrophobicContact CD1-CE1 4.42Å; Y116-Y224 HydrophobicContact CD2-CD1 4.18Å; Y116-Y224 HydrophobicContact CD2-CG 4.44Å; Y116-Y224 WeakPolarHBondContact CD2-O 3.46Å; Y116-Y224 HydrophobicContact CE1-CD1 4.45Å; Y116-Y224 AromaticContact CG-CD1 3.67Å; Y116-Y224 HydrophobicContact CG-CD1 3.67Å; Y116-Y224 HydrophobicContact CG-CG 4.13Å
117R89.4Confident87.5Confident57 Ų5763.2 Ų63.222%0.21531%0.314CS..Hα-helixtrans-48.6-48.8178.9169179.1162.1-176.9-13112.4Y113 V120 Q121 E203 F231 D238Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 4.5Å; Y113-R117 WeakPolarHBondContact O-CA 3.29Å; Y113-R117 WeakPolarHBondContact O-CB 3.27Å; Y113-R117 PolarHBondContact O-N 3.39Å; R117-V120 PolarHBondContact O-N 3.26Å; R117-Q121 VanDerWaalsContact O-CG 3.3Å; R117-Q121 WeakPolarHBondContact O-CG 3.39Å; R117-Q121 PolarHBondContact O-N 3.06Å; R117-E203 IonicContact NH2-OE1 2.62Å; R117-F231 HydrophobicContact CB-CE2 4.49Å; R117-F231 HydrophobicContact CG-CE2 4.45Å; R117-D238 IonicContact CZ-OD2 2.76Å; R117-D238 IonicContact NH1-OD2 2.65Å; R117-D238 PolarHBondContact NH1-OD2 3.09Å
118G85.8Confident87.5Confident40 Ų4061 Ų6141%0.41231%0.309SS..Hα-helixtrans-62.5-40.9178.200000113.1Y116 Q121 N122Y116-G118 VanDerWaalsContact C-N 3.28Å; Y116-G118 PolarHBondContact O-N 3.25Å; G118-Q121 PolarHBondContact O-N 3.36Å; G118-N122 WeakPolarHBondContact O-CB 3.35Å; G118-N122 PolarHBondContact O-N 3.48Å; G118-N122 PolarHBondContact O-OD1 3.38Å
119L88Confident87.4Confident77 Ų7764.1 Ų64.140%0.40332%0.323SS..Hα-helixtrans-65.2-43.9177.7-58.9-173.4000111.5Y116 Q121 N122 D123 Y224Y116-L119 HydrophobicContact CD1-CD1 3.95Å; Y116-L119 PolarHBondContact O-N 2.84Å; L119-Q121 VanDerWaalsContact C-N 3.29Å; L119-Q121 PolarHBondContact O-N 3.4Å; L119-N122 PolarHBondContact O-N 3.01Å; L119-N122 VanDerWaalsContact O-N 3.16Å; L119-D123 WeakPolarHBondContact O-CB 3.48Å; L119-D123 VanDerWaalsContact O-CG 3.28Å; L119-D123 PolarHBondContact O-N 3.24Å; L119-Y224 HydrophobicContact CB-CE1 4.06Å; L119-Y224 HydrophobicContact CD1-CE1 3.88Å
120V88.9Confident87.3Confident0 Ų067.4 Ų67.40%034%0.342CS..Hα-helixtrans-65.1-34.6178-175.10000111.7Y116 R117 F124 M220 A221 Y224 M226 F231Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.21Å; Y116-V120 PolarHBondContact O-N 3.26Å; R117-V120 PolarHBondContact O-N 3.26Å; V120-F124 WeakPolarHBondContact O-CB 3.12Å; V120-F124 PolarHBondContact O-N 2.93Å; V120-M220 HydrophobicContact CG1-CB 4.29Å; V120-A221 HydrophobicContact CG1-CB 4.17Å; V120-Y224 HydrophobicContact CG2-CD2 3.46Å; V120-Y224 VanDerWaalsContact CG2-CD2 3.46Å; V120-Y224 HydrophobicContact CG2-CE2 3.83Å; V120-Y224 HydrophobicContact CG2-CG 4.08Å; V120-M226 HydrophobicContact CG2-CE 3.53Å; V120-F231 HydrophobicContact CB-CD2 4.36Å; V120-F231 HydrophobicContact CB-CE1 4.41Å; V120-F231 HydrophobicContact CB-CE2 3.74Å; V120-F231 HydrophobicContact CB-CZ 3.76Å; V120-F231 HydrophobicContact CG1-CD1 4.02Å; V120-F231 HydrophobicContact CG1-CD2 4.08Å; V120-F231 HydrophobicContact CG1-CE1 3.69Å; V120-F231 HydrophobicContact CG1-CE2 3.76Å; V120-F231 HydrophobicContact CG1-CG 4.21Å; V120-F231 HydrophobicContact CG1-CZ 3.54Å; V120-F231 HydrophobicContact CG2-CE2 4.24Å
121Q86.7Confident87.1Confident18 Ų1867.6 Ų67.68%0.08434%0.344CS..Hα-helixtrans-69.8-39.2173.5-68.8-176.4-66.800111.7R117 G118 L119 A125 V204 F231R117-Q121 VanDerWaalsContact O-CG 3.3Å; R117-Q121 WeakPolarHBondContact O-CG 3.39Å; R117-Q121 PolarHBondContact O-N 3.06Å; G118-Q121 PolarHBondContact O-N 3.36Å; L119-Q121 VanDerWaalsContact C-N 3.29Å; L119-Q121 PolarHBondContact O-N 3.4Å; Q121-A125 VanDerWaalsContact O-CB 3.31Å; Q121-A125 WeakPolarHBondContact O-CB 3.2Å; Q121-A125 PolarHBondContact O-N 3.09Å; Q121-V204 HydrophobicContact CB-CG2 4.02Å; Q121-V204 HydrophobicContact CG-CB 4.5Å; Q121-V204 HydrophobicContact CG-CG2 3.93Å; Q121-F231 HydrophobicContact CG-CZ 4.03Å
122N86.5Confident86.7Confident17 Ų1765.9 Ų65.99%0.09133%0.333CS..Hα-helixtrans-66.3-45.8175.5-70.6-8.6000112.3G118 L119 F124 A125 N126 I127G118-N122 WeakPolarHBondContact O-CB 3.35Å; G118-N122 PolarHBondContact O-N 3.48Å; G118-N122 PolarHBondContact O-OD1 3.38Å; L119-N122 PolarHBondContact O-N 3.01Å; L119-N122 VanDerWaalsContact O-N 3.16Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 2.97Å; N122-A125 CarbonylContact O-C 3.53Å; N122-A125 PolarHBondContact O-N 3.19Å; N122-A125 VanDerWaalsContact O-N 3.13Å; N122-N126 PolarHBondContact O-N 2.88Å; N122-I127 HydrophobicContact CB-CB 4.26Å; N122-I127 PolarHBondContact O-N 3.33Å
123D87.4Confident86.4Confident62 Ų6269.7 Ų69.733%0.33235%0.353SS..Hα-helixtrans-57.8-44.2176.4-72.3-11.2000110.8L119 N126 Y224L119-D123 WeakPolarHBondContact O-CB 3.48Å; L119-D123 VanDerWaalsContact O-CG 3.28Å; L119-D123 PolarHBondContact O-N 3.24Å; D123-N126 PolarHBondContact O-N 3.03Å; D123-N126 VanDerWaalsContact O-N 3.13Å; D123-Y224 VanDerWaalsContact OD2-CE2 3.23Å; D123-Y224 WeakPolarHBondContact OD2-CE2 3.42Å; D123-Y224 VanDerWaalsContact OD2-CZ 3.31Å; D123-Y224 PolarHBondContact OD2-OH 3.13Å
124F84.9Confident86Confident42 Ų4275.5 Ų75.518%0.18438%0.376CS..Hα-helixtrans-67.4-36.1176.2-178.2-101000113.3V120 N122 N126 V204 L209 Q213 L217 M220V120-F124 WeakPolarHBondContact O-CB 3.12Å; V120-F124 PolarHBondContact O-N 2.93Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 2.97Å; F124-N126 PolarHBondContact O-N 3.16Å; F124-N126 PolarHBondContact O-ND2 3.37Å; F124-V204 HydrophobicContact CD1-CG1 4.21Å; F124-V204 HydrophobicContact CD1-CG2 4.35Å; F124-V204 HydrophobicContact CE1-CG1 4.11Å; F124-L209 HydrophobicContact CE1-CD2 3.79Å; F124-L209 HydrophobicContact CE1-CG 4.44Å; F124-L209 HydrophobicContact CE2-CD2 4.28Å; F124-L209 HydrophobicContact CZ-CD2 3.51Å; F124-L209 HydrophobicContact CZ-CG 4.21Å; F124-Q213 HydrophobicContact CE2-CB 4.07Å; F124-Q213 HydrophobicContact CZ-CB 3.99Å; F124-Q213 HydrophobicContact CZ-CG 4.39Å; F124-L217 HydrophobicContact CB-CD2 3.45Å; F124-L217 VanDerWaalsContact CB-CD2 3.45Å; F124-L217 HydrophobicContact CD1-CD2 3.95Å; F124-L217 HydrophobicContact CD1-CG 4.42Å; F124-L217 HydrophobicContact CD2-CD2 3.45Å; F124-L217 VanDerWaalsContact CD2-CD2 3.45Å; F124-L217 HydrophobicContact CD2-CG 3.62Å; F124-L217 HydrophobicContact CE2-CD2 4.18Å; F124-L217 HydrophobicContact CE2-CG 3.86Å; F124-L217 HydrophobicContact CG-CD2 3.32Å; F124-L217 HydrophobicContact CG-CG 3.93Å; F124-L217 HydrophobicContact CZ-CG 4.37Å; F124-M220 HydrophobicContact CB-SD 3.8Å; F124-M220 HydrophobicContact CD2-CE 4.33Å; F124-M220 HydrophobicContact CD2-SD 3.88Å; F124-M220 HydrophobicContact CG-SD 4.35Å
125A83.6Confident85.5Confident54 Ų5471 Ų7145%0.44636%0.355SS..Hα-helixtrans-75.4-5.2173.200000113.3Q121 N122 I127Q121-A125 VanDerWaalsContact O-CB 3.31Å; Q121-A125 WeakPolarHBondContact O-CB 3.2Å; Q121-A125 PolarHBondContact O-N 3.09Å; N122-A125 CarbonylContact O-C 3.53Å; N122-A125 PolarHBondContact O-N 3.19Å; N122-A125 VanDerWaalsContact O-N 3.13Å; A125-I127 HydrophobicContact CB-CD1 3.86Å; A125-I127 HydrophobicContact CB-CG1 3.86Å; A125-I127 PolarHBondContact O-N 2.96Å
126N82.9Confident85.1Confident140 Ų14067.6 Ų67.675%0.74935%0.347SS*.THydrogen-bonded Turntrans56.332.9-172.1-54.6-85.3000113.8N122 D123 F124N122-N126 PolarHBondContact O-N 2.88Å; D123-N126 PolarHBondContact O-N 3.03Å; D123-N126 VanDerWaalsContact O-N 3.13Å; F124-N126 PolarHBondContact O-N 3.16Å; F124-N126 PolarHBondContact O-ND2 3.37Å
127I82.3Confident84.6Confident18 Ų1870.1 Ų70.19%0.09236%0.357CS..  trans-82.6122.3174-60171.4000108.1N122 A125 Q131 P198 I200N122-I127 HydrophobicContact CB-CB 4.26Å; N122-I127 PolarHBondContact O-N 3.33Å; A125-I127 HydrophobicContact CB-CD1 3.86Å; A125-I127 HydrophobicContact CB-CG1 3.86Å; A125-I127 PolarHBondContact O-N 2.96Å; I127-Q131 HydrophobicContact CG2-CB 4.04Å; I127-P198 HydrophobicContact CD1-CB 4.07Å; I127-P198 HydrophobicContact CG1-CB 4.34Å; I127-I200 HydrophobicContact CD1-CG1 4.1Å; I127-I200 HydrophobicContact CG2-CG1 4.24Å
128S85.2Confident84.2Confident49 Ų4969 Ų6934%0.34336%0.355SS..  trans-73.9155-179.676.40000112.2E130 Q131 C132S128-E130 PolarHBondContact O-N 2.88Å; S128-Q131 PolarHBondContact O-N 3.37Å; S128-Q131 VanDerWaalsContact O-N 3.13Å; S128-Q131 WeakPolarHBondContact OG-CG 3.24Å; S128-Q131 PolarHBondContact OG-N 3.23Å; S128-C132 PolarHBondContact O-N 3.46Å
129E84.8Confident83.7Confident151 Ų15170.5 Ų70.571%0.70635%0.354SS*.Hα-helixtrans-56.7-38.5173.2-174.6177.8-171.100111.2Q131 C132 L133E129-Q131 PolarHBondContact O-N 3.22Å; E129-C132 WeakPolarHBondContact O-CB 3.47Å; E129-C132 PolarHBondContact O-N 2.95Å; E129-L133 HydrophobicContact CG-CD1 3.9Å; E129-L133 HydrophobicContact CG-CG 4.17Å; E129-L133 WeakPolarHBondContact O-CB 3.39Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.42Å; E129-L133 PolarHBondContact O-N 3.07Å
130E85.3Confident83.2Confident159 Ų15972.6 Ų72.674%0.74336%0.361SS*.Hα-helixtrans-61.3-41.6176.5-61.6-175.916100112.4S128 Y134S128-E130 PolarHBondContact O-N 2.88Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.4Å
131Q83.9Confident82.3Confident86 Ų8675.3 Ų75.340%0.40238%0.376SS..Hα-helixtrans-65.4-41.1174.7-73169-19.300111.7I127 S128 E129 Y134 Q135I127-Q131 HydrophobicContact CG2-CB 4.04Å; S128-Q131 PolarHBondContact O-N 3.37Å; S128-Q131 VanDerWaalsContact O-N 3.13Å; S128-Q131 WeakPolarHBondContact OG-CG 3.24Å; S128-Q131 PolarHBondContact OG-N 3.23Å; E129-Q131 PolarHBondContact O-N 3.22Å; Q131-Y134 PolarHBondContact O-N 3.1Å; Q131-Q135 PolarHBondContact O-N 3.22Å
132C81.3Confident81.5Confident24 Ų2479.7 Ų79.716%0.16239%0.392CS..Hα-helixtrans-63.5-48.4176.7-171.70000111.7S128 E129 Y134 Q135 I136 I200S128-C132 PolarHBondContact O-N 3.46Å; E129-C132 WeakPolarHBondContact O-CB 3.47Å; E129-C132 PolarHBondContact O-N 2.95Å; C132-Y134 VanDerWaalsContact C-N 3.34Å; C132-Y134 PolarHBondContact O-N 2.79Å; C132-Q135 PolarHBondContact O-N 3.49Å; C132-I136 WeakPolarHBondContact O-CG1 3.24Å; C132-I136 PolarHBondContact O-N 3.4Å; C132-I200 HydrophobicContact CB-CD1 4.49Å
133L85Confident80.3Confident97 Ų9781.6 Ų81.651%0.50842%0.415SS..Hα-helixtrans-63.8-37.8176.3-69.5174.7000112E129 I136 Y137E129-L133 HydrophobicContact CG-CD1 3.9Å; E129-L133 HydrophobicContact CG-CG 4.17Å; E129-L133 WeakPolarHBondContact O-CB 3.39Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.42Å; E129-L133 PolarHBondContact O-N 3.07Å; L133-I136 PolarHBondContact O-N 3.43Å; L133-Y137 VanDerWaalsContact O-CB 3.29Å; L133-Y137 WeakPolarHBondContact O-CB 3.38Å; L133-Y137 PolarHBondContact O-N 3.02Å
134Y82.8Confident78.6Confident123 Ų12380.9 Ų80.948%0.48242%0.423SS..Hα-helixtrans-65.7-42.2175.5-174.8-117.7000111.9E130 Q131 C132 Y137 L138 I197E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.4Å; Q131-Y134 PolarHBondContact O-N 3.1Å; C132-Y134 VanDerWaalsContact C-N 3.34Å; C132-Y134 PolarHBondContact O-N 2.79Å; Y134-Y137 HydrophobicContact CD2-CD1 4.11Å; Y134-Y137 HydrophobicContact CE2-CD1 4.22Å; Y134-Y137 HydrophobicContact CE2-CE1 4.46Å; Y134-Y137 WeakPolarHBondContact O-CB 3.47Å; Y134-Y137 PolarHBondContact O-N 2.91Å; Y134-L138 HydrophobicContact CD1-CD1 4Å; Y134-L138 HydrophobicContact CE1-CD1 3.6Å; Y134-L138 HydrophobicContact CE1-CG 4.25Å; Y134-L138 HydrophobicContact CE2-CD2 4.37Å; Y134-L138 HydrophobicContact CE2-CG 4.34Å; Y134-L138 WeakPolarHBondContact O-CG 3.24Å; Y134-L138 PolarHBondContact O-N 2.89Å; Y134-I197 HydrophobicContact CE1-CD1 4.41Å
135Q79.7Confident76.9Confident40 Ų4084.6 Ų84.619%0.18744%0.444CS..Hα-helixtrans-64-43.8173.9-179.257.233.800111.8Q131 C132 Y137 L138 D139 I197 I200Q131-Q135 PolarHBondContact O-N 3.22Å; C132-Q135 PolarHBondContact O-N 3.49Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 2.95Å; Q135-L138 PolarHBondContact O-N 3.44Å; Q135-D139 PolarHBondContact NE2-OD1 3.15Å; Q135-D139 PolarHBondContact NE2-OD2 2.82Å; Q135-D139 WeakPolarHBondContact O-CB 3.4Å; Q135-D139 PolarHBondContact O-N 2.86Å; Q135-I197 HydrophobicContact CB-CG2 4.28Å; Q135-I200 HydrophobicContact CB-CD1 3.56Å; Q135-I200 HydrophobicContact CG-CD1 3.86Å
136I81.7Confident75.2Confident83 Ų8386.3 Ų86.343%0.42646%0.459SS..Hα-helixtrans-58.4-45.1175-68.4164.7000110.4C132 L133 L138 D139 E140C132-I136 WeakPolarHBondContact O-CG1 3.24Å; C132-I136 PolarHBondContact O-N 3.4Å; L133-I136 PolarHBondContact O-N 3.43Å; I136-L138 PolarHBondContact O-N 3.15Å; I136-D139 PolarHBondContact O-N 3.44Å; I136-E140 HydrophobicContact CG2-CG 4.42Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.26Å; I136-E140 PolarHBondContact O-N 2.71Å
137Y80.7Confident73.7Confident135 Ų13586.1 Ų86.153%0.52945%0.451SS..Hα-helixtrans-59.8-43.2175.7169.5-105.4000112.5L133 Y134 Q135 L141L133-Y137 VanDerWaalsContact O-CB 3.29Å; L133-Y137 WeakPolarHBondContact O-CB 3.38Å; L133-Y137 PolarHBondContact O-N 3.02Å; Y134-Y137 HydrophobicContact CD2-CD1 4.11Å; Y134-Y137 HydrophobicContact CE2-CD1 4.22Å; Y134-Y137 HydrophobicContact CE2-CE1 4.46Å; Y134-Y137 WeakPolarHBondContact O-CB 3.47Å; Y134-Y137 PolarHBondContact O-N 2.91Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 2.95Å; Y137-L141 HydrophobicContact CD1-CD1 4.19Å; Y137-L141 HydrophobicContact CD2-CD1 4.05Å; Y137-L141 HydrophobicContact CD2-CG 4.25Å; Y137-L141 HydrophobicContact CE1-CD1 3.65Å; Y137-L141 HydrophobicContact CE2-CD1 3.48Å; Y137-L141 VanDerWaalsContact CE2-CD1 3.48Å; Y137-L141 HydrophobicContact CE2-CG 4.03Å; Y137-L141 HydrophobicContact CG-CD1 4.38Å; Y137-L141 WeakPolarHBondContact O-CB 3.14Å; Y137-L141 WeakPolarHBondContact O-CG 3.38Å; Y137-L141 PolarHBondContact O-N 3.23Å
138L80.1Confident72Confident33 Ų3389.7 Ų89.717%0.17348%0.476CS..Hα-helixtrans-65.9-40.9174.8-69.9178.6000112.4Y134 Q135 I136 L141 Y142 I197Y134-L138 HydrophobicContact CD1-CD1 4Å; Y134-L138 HydrophobicContact CE1-CD1 3.6Å; Y134-L138 HydrophobicContact CE1-CG 4.25Å; Y134-L138 HydrophobicContact CE2-CD2 4.37Å; Y134-L138 HydrophobicContact CE2-CG 4.34Å; Y134-L138 WeakPolarHBondContact O-CG 3.24Å; Y134-L138 PolarHBondContact O-N 2.89Å; Q135-L138 PolarHBondContact O-N 3.44Å; I136-L138 PolarHBondContact O-N 3.15Å; L138-L141 PolarHBondContact O-N 3.27Å; L138-Y142 HydrophobicContact CB-CD2 4.46Å; L138-Y142 HydrophobicContact CD2-CD2 3.86Å; L138-Y142 HydrophobicContact CD2-CE2 3.66Å; L138-Y142 WeakPolarHBondContact O-CB 3.48Å; L138-Y142 WeakPolarHBondContact O-CD2 3.44Å; L138-Y142 PolarHBondContact O-N 3.3Å; L138-I197 HydrophobicContact CD1-CD1 3.51Å
139D75.6Confident69.9Low72 Ų7291.7 Ų91.739%0.38548%0.482SS..Hα-helixtrans-70.5-33.1178.2-82.7-32.6000112.9Q135 I136 G143 G144Q135-D139 PolarHBondContact NE2-OD1 3.15Å; Q135-D139 PolarHBondContact NE2-OD2 2.82Å; Q135-D139 WeakPolarHBondContact O-CB 3.4Å; Q135-D139 PolarHBondContact O-N 2.86Å; I136-D139 PolarHBondContact O-N 3.44Å; D139-G143 WeakPolarHBondContact O-CA 3.36Å; D139-G143 PolarHBondContact O-N 2.97Å; D139-G144 PolarHBondContact O-N 3.3Å; D139-G144 WeakPolarHBondContact OD1-CA 3.18Å
140E77.7Confident68.5Low121 Ų12189 Ų8957%0.56547%0.47SS*.Hα-helixtrans-69.4-45.4170.9-76.6-166.5-178.200112.2Q42 I136Q42-E140 PolarHBondContact NE2-OE2 3.04Å; I136-E140 HydrophobicContact CG2-CG 4.42Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.26Å; I136-E140 PolarHBondContact O-N 2.71Å
141L69.4Low67Low57 Ų5785.3 Ų85.330%0.29846%0.455SS..Hα-helixtrans-73.4-40.2-177.8-77.6-174000113.9Y137 L138Y137-L141 HydrophobicContact CD1-CD1 4.19Å; Y137-L141 HydrophobicContact CD2-CD1 4.05Å; Y137-L141 HydrophobicContact CD2-CG 4.25Å; Y137-L141 HydrophobicContact CE1-CD1 3.65Å; Y137-L141 HydrophobicContact CE2-CD1 3.48Å; Y137-L141 VanDerWaalsContact CE2-CD1 3.48Å; Y137-L141 HydrophobicContact CE2-CG 4.03Å; Y137-L141 HydrophobicContact CG-CD1 4.38Å; Y137-L141 WeakPolarHBondContact O-CB 3.14Å; Y137-L141 WeakPolarHBondContact O-CG 3.38Å; Y137-L141 PolarHBondContact O-N 3.23Å; L138-L141 PolarHBondContact O-N 3.27Å
142Y70.1Confident65.7Low111 Ų11187.2 Ų87.244%0.43546%0.464SS..Hα-helixtrans-107.8-6.1-172.9-58.2-61000113.5L138L138-Y142 HydrophobicContact CB-CD2 4.46Å; L138-Y142 HydrophobicContact CD2-CD2 3.86Å; L138-Y142 HydrophobicContact CD2-CE2 3.66Å; L138-Y142 WeakPolarHBondContact O-CB 3.48Å; L138-Y142 WeakPolarHBondContact O-CD2 3.44Å; L138-Y142 PolarHBondContact O-N 3.3Å
143G61Low64.7Low56 Ų5692.1 Ų92.158%0.57748%0.483SS*.THydrogen-bonded Turntrans71.570.616800000112.2D139 L145D139-G143 WeakPolarHBondContact O-CA 3.36Å; D139-G143 PolarHBondContact O-N 2.97Å; G143-L145 PolarHBondContact O-N 2.94Å
144G53.2Low63.5Low48 Ų4893.3 Ų93.350%0.49548%0.484SS..  trans38.362.3171.100000112.5D139 A146D139-G144 PolarHBondContact O-N 3.3Å; D139-G144 WeakPolarHBondContact OD1-CA 3.18Å; G144-A146 PolarHBondContact O-N 3.5Å
145L49.7Very low62.4Low119 Ų11992 Ų9262%0.62348%0.481SS*.  trans-53.3105.9-171.9-91.5166.5000108.5G143 K147G143-L145 PolarHBondContact O-N 2.94Å; L145-K147 PolarHBondContact O-N 2.82Å
146A47.8Very low61.4Low91 Ų9195.4 Ų95.475%0.75250%0.499SS*.  trans-61.991.9174.700000107.5G144 P148G144-A146 PolarHBondContact O-N 3.5Å; A146-P148 WeakPolarHBondContact O-CD 3.34Å
147K51.3Low60.3Low136 Ų13694.3 Ų94.359%0.59150%0.503SS*.  trans-46.1112.1-175.8-72.3179.1178.9175.30105.6L145 N149 D199L145-K147 PolarHBondContact O-N 2.82Å; K147-N149 WeakPolarHBondContact O-CA 3.48Å; K147-N149 PolarHBondContact O-N 3.31Å; K147-D199 IonicContact NZ-OD1 3.06Å; K147-D199 PolarHBondContact NZ-OD1 3.42Å; K147-D199 IonicContact NZ-OD2 2.64Å
148P45.6Very low59.2Low93 Ų9395.5 Ų95.560%0.60451%0.513SS*.  trans-64.5104.5-169.623.5-32.9000107A146 E150A146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-E150 PolarHBondContact O-N 2.81Å
149N41.4Very low58.1Low91 Ų91100.8 Ų100.849%0.48754%0.535SS..  trans-26.9117.2-154.6-170.2-1.8000112.6K147 D151 E152 K153K147-N149 WeakPolarHBondContact O-CA 3.48Å; K147-N149 PolarHBondContact O-N 3.31Å; N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 WeakPolarHBondContact OD1-CB 3.5Å; N149-D151 PolarHBondContact OD1-N 3.36Å; N149-E152 HydrophobicContact CB-CG 4.3Å; N149-E152 WeakPolarHBondContact O-CA 3.25Å; N149-E152 WeakPolarHBondContact O-CB 3.38Å; N149-E152 PolarHBondContact O-N 3.2Å; N149-K153 PolarHBondContact O-N 2.81Å
150E54.2Low56.8Low93 Ų93105.8 Ų105.844%0.43555%0.553SS.*Hα-helixtrans-44.3-39.1179.9-93.1-79104.100112.3P148 E152 K153 K154P148-E150 PolarHBondContact O-N 2.81Å; E150-E152 VanDerWaalsContact C-N 3.32Å; E150-E152 PolarHBondContact O-N 2.88Å; E150-K153 PolarHBondContact O-N 2.82Å; E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 3.37Å; E150-K154 WeakPolarHBondContact OE2-CE 3.35Å; E150-K154 IonicContact OE2-NZ 2.77Å; E150-K154 PolarHBondContact OE2-NZ 3.48Å
151D55.3Low55.2Low83 Ų83105.9 Ų105.944%0.44456%0.562SS.*Hα-helixtrans-51.6-40.7171.2-99.720.4000114.8N149 K155N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 WeakPolarHBondContact OD1-CB 3.5Å; N149-D151 PolarHBondContact OD1-N 3.36Å; D151-K155 VanDerWaalsContact CG-NZ 3.29Å; D151-K155 WeakPolarHBondContact O-CB 3.49Å; D151-K155 WeakPolarHBondContact O-CD 3.46Å; D151-K155 WeakPolarHBondContact O-CG 3.46Å; D151-K155 PolarHBondContact O-N 2.79Å; D151-K155 IonicContact OD2-NZ 3.6Å; D151-K155 PolarHBondContact OD2-NZ 2.91Å
152E56.5Low53.8Low126 Ų126107.9 Ų107.959%0.58959%0.586SS**Hα-helixtrans-77.5-38.8179-65.8-161.4163.200111.8N149 E150 K155 L156N149-E152 HydrophobicContact CB-CG 4.3Å; N149-E152 WeakPolarHBondContact O-CA 3.25Å; N149-E152 WeakPolarHBondContact O-CB 3.38Å; N149-E152 PolarHBondContact O-N 3.2Å; E150-E152 VanDerWaalsContact C-N 3.32Å; E150-E152 PolarHBondContact O-N 2.88Å; E152-K155 PolarHBondContact O-N 3.28Å; E152-L156 WeakPolarHBondContact O-CB 3.48Å; E152-L156 WeakPolarHBondContact O-CD1 3.33Å; E152-L156 WeakPolarHBondContact O-CG 3.45Å; E152-L156 PolarHBondContact O-N 3.47Å
153K59.1Low52.5Low126 Ų126109.4 Ų109.455%0.54860%0.601SS.*Hα-helixtrans-59.2-49.9170.3-93.2-176.3175.8179.90110.6N149 E150 L156 A157N149-K153 PolarHBondContact O-N 2.81Å; E150-K153 PolarHBondContact O-N 2.82Å; K153-L156 PolarHBondContact O-N 3.43Å; K153-L156 VanDerWaalsContact O-N 3.1Å; K153-A157 WeakPolarHBondContact O-CB 3.46Å; K153-A157 PolarHBondContact O-N 2.96Å
154K60.8Low51.5Low122 Ų122110.1 Ų110.153%0.5361%0.608SS.*Hα-helixtrans-61-47177.8-74.2163.8173.9159.60111.6E150 L156 A157 E158E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 3.37Å; E150-K154 WeakPolarHBondContact OE2-CE 3.35Å; E150-K154 IonicContact OE2-NZ 2.77Å; E150-K154 PolarHBondContact OE2-NZ 3.48Å; K154-L156 PolarHBondContact O-N 2.84Å; K154-L156 VanDerWaalsContact O-N 3.13Å; K154-A157 PolarHBondContact O-N 3.39Å; K154-E158 WeakPolarHBondContact O-CG 3.13Å; K154-E158 PolarHBondContact O-N 2.87Å
155K59.6Low50.8Low96 Ų96116.9 Ų116.942%0.41762%0.62SS.*Hα-helixtrans-66-11174.1-72.1163.3-162.6144.40114.9D151 E152 K159D151-K155 VanDerWaalsContact CG-NZ 3.29Å; D151-K155 WeakPolarHBondContact O-CB 3.49Å; D151-K155 WeakPolarHBondContact O-CD 3.46Å; D151-K155 WeakPolarHBondContact O-CG 3.46Å; D151-K155 PolarHBondContact O-N 2.79Å; D151-K155 IonicContact OD2-NZ 3.6Å; D151-K155 PolarHBondContact OD2-NZ 2.91Å; E152-K155 PolarHBondContact O-N 3.28Å; K155-K159 VanDerWaalsContact O-CD 3.32Å; K155-K159 WeakPolarHBondContact O-CD 3.45Å; K155-K159 VanDerWaalsContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CE 3.17Å; K155-K159 WeakPolarHBondContact O-CG 3.3Å; K155-K159 PolarHBondContact O-NZ 2.98Å
156L57.7Low50.6Low111 Ų111117.2 Ų117.258%0.58163%0.627SS**Hα-helixtrans-100.3-34.1173.3-74.3168.8000111.7E152 K153 K154 K159 K160E152-L156 WeakPolarHBondContact O-CB 3.48Å; E152-L156 WeakPolarHBondContact O-CD1 3.33Å; E152-L156 WeakPolarHBondContact O-CG 3.45Å; E152-L156 PolarHBondContact O-N 3.47Å; K153-L156 PolarHBondContact O-N 3.43Å; K153-L156 VanDerWaalsContact O-N 3.1Å; K154-L156 PolarHBondContact O-N 2.84Å; K154-L156 VanDerWaalsContact O-N 3.13Å; L156-K159 PolarHBondContact O-N 2.98Å; L156-K159 VanDerWaalsContact O-N 3.16Å; L156-K160 PolarHBondContact O-N 3.29Å
157A58.4Low50.7Low60 Ų60122.4 Ų122.450%0.49663%0.628SS.*Hα-helixtrans-61.6-47.317100000111.3K153 K154 K159 K160K153-A157 WeakPolarHBondContact O-CB 3.46Å; K153-A157 PolarHBondContact O-N 2.96Å; K154-A157 PolarHBondContact O-N 3.39Å; A157-K159 PolarHBondContact O-N 3.45Å; A157-K160 WeakPolarHBondContact O-CB 3.44Å; A157-K160 PolarHBondContact O-N 2.77Å
158E58.7Low50.4Low160 Ų160125.4 Ų125.475%0.74865%0.645SS**THydrogen-bonded Turntrans-57.4-18.9173-71.6175.9167.700114K154K154-E158 WeakPolarHBondContact O-CG 3.13Å; K154-E158 PolarHBondContact O-N 2.87Å
159K57.6Low50.2Low145 Ų145128 Ų12863%0.6365%0.653SS**THydrogen-bonded Turntrans-98.6-3.2178.7-66.1-179.4-170.8119.60113.6K155 L156 A157 V161K155-K159 VanDerWaalsContact O-CD 3.32Å; K155-K159 WeakPolarHBondContact O-CD 3.45Å; K155-K159 VanDerWaalsContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CE 3.17Å; K155-K159 WeakPolarHBondContact O-CG 3.3Å; K155-K159 PolarHBondContact O-NZ 2.98Å; L156-K159 PolarHBondContact O-N 2.98Å; L156-K159 VanDerWaalsContact O-N 3.16Å; A157-K159 PolarHBondContact O-N 3.45Å; K159-V161 PolarHBondContact O-N 3.12Å
160K48.3Very low50.1Low176 Ų176129.3 Ų129.377%0.76567%0.67SS**  trans-76.578169.7-69.9-177.6178.5178.40109.4L156 A157 A162L156-K160 PolarHBondContact O-N 3.29Å; A157-K160 WeakPolarHBondContact O-CB 3.44Å; A157-K160 PolarHBondContact O-N 2.77Å; K160-A162 PolarHBondContact O-N 2.57Å; K160-A162 VanDerWaalsContact O-N 3.15Å
161V43.3Very low49.2Very low124 Ų124131.5 Ų131.575%0.75269%0.69SS**  trans-61116.6167.1178.10000107.9K159 I163K159-V161 PolarHBondContact O-N 3.12Å; V161-I163 PolarHBondContact O-N 2.92Å
162A41.1Very low48.2Very low98 Ų98134 Ų13481%0.8171%0.707SS**  trans-63.5108.3174.900000109.6K160 G164K160-A162 PolarHBondContact O-N 2.57Å; K160-A162 VanDerWaalsContact O-N 3.15Å; A162-G164 PolarHBondContact O-N 3.12Å; A162-G164 VanDerWaalsContact O-N 3.15Å
163I42.4Very low47.1Very low144 Ų144132.5 Ų132.574%0.73872%0.717SS**  trans-82.789.9173.2-58.6177.1000107V161 Y165V161-I163 PolarHBondContact O-N 2.92Å; I163-Y165 HydrophobicContact CG2-CD2 4.42Å; I163-Y165 PolarHBondContact O-N 3.27Å; I163-Y165 VanDerWaalsContact O-N 3.1Å
164G39.9Very low45.9Very low71 Ų71134.1 Ų134.173%0.73273%0.726SS**  trans-62.2108.8170.500000110.1A162A162-G164 PolarHBondContact O-N 3.12Å; A162-G164 VanDerWaalsContact O-N 3.15Å
165Y38.1Very low45Very low190 Ų190133.4 Ų133.475%0.74573%0.734SS**  trans-98.295.9175.3-138.2-84.2000108.3I163 Y167I163-Y165 HydrophobicContact CG2-CD2 4.42Å; I163-Y165 PolarHBondContact O-N 3.27Å; I163-Y165 VanDerWaalsContact O-N 3.1Å; Y165-Y167 HydrophobicContact CD1-CE2 4.43Å
166T46.3Very low43.6Very low125 Ų125137.8 Ų137.877%0.76776%0.756SS**  trans-80.5121.3170.949.70000109.1
167Y48.1Very low42.4Very low200 Ų200136.9 Ų136.978%0.78476%0.759SS**  trans-73.9134.2165.9-82.5-100.9000109.1Y165 D169Y165-Y167 HydrophobicContact CD1-CE2 4.43Å; Y167-D169 PolarHBondContact O-N 2.75Å
168E45.4Very low41Very low200 Ų200142.3 Ų142.394%0.93577%0.774SS**SBendtrans-77.966.9174.6-68.8-170.5166.200110.8
169D42.5Very low39.7Very low147 Ų147139.1 Ų139.179%0.78677%0.769SS**  trans-159.866.1159.9-151.16.9000112.6Y167Y167-D169 PolarHBondContact O-N 2.75Å
170S39.3Very low38.3Very low119 Ų119138.7 Ų138.783%0.83277%0.773SS**  trans-148113.3169-69.50000110.3
171T35Very low37.7Very low139 Ų139138.5 Ų138.585%0.85377%0.773SS**  trans-70.1151.9-179.442.40000112.5
172V34.8Very low37.1Very low135 Ų135139.8 Ų139.882%0.81877%0.77SS**  trans-65137.2-177179.50000112.2
173A33.6Very low36.7Very low95 Ų95142.4 Ų142.479%0.78577%0.771SS**  trans-133.6143.3156.700000109.5
174E33.2Very low36.2Very low159 Ų159142.3 Ų142.374%0.74377%0.772SS**  trans-71.5161.2-174.7-75.8-72.5149.800113.3
175P42.7Very low35.8Very low107 Ų107146.4 Ų146.470%0.69578%0.777SS**  trans-86.9128.3-17733.9-30000112.2
176H29Very low35.8Very low189 Ų189141.8 Ų141.888%0.87577%0.772SS**  trans-126160.9165.2-83.2-69.3000112.2
177S32.9Very low35.3Very low92 Ų92143.7 Ų143.764%0.64377%0.773SS**  trans-101.4160.1-16048.30000114.4
178Q28.8Very low34.5Very low174 Ų174140.9 Ų140.981%0.81377%0.771SS**  trans79.9118.5153.1-79.2175.8-69.100120.8
179S31.2Very low34Very low92 Ų92136 Ų13664%0.64376%0.76SS**  trans68.3134.8130.561.10000123.3
180D28.5Very low33.8Very low136 Ų136137.8 Ų137.873%0.72776%0.763SS**  trans76.8121.3150.1-58.6-35.3000120.9
181K34.9Very low33.7Very low173 Ų173137.5 Ų137.575%0.75276%0.761SS**  trans43.6139.3131.1-61.7178.5175.7-167.80119
182E31.6Very low34Very low150 Ų150139.7 Ų139.770%0.70176%0.762SS**  cis-161.4156.832.3-124.9141.7-137.900110.7
183D31.8Very low34.1Very low153 Ų153142.5 Ų142.582%0.81877%0.766SS**  trans56.4145.2149.9-61.2-18.3000126.9
184D32.6Very low34.7Very low143 Ų143144.9 Ų144.977%0.76577%0.765SS**  trans94.179148-146.16.9000121.5
185N31.7Very low35.2Very low156 Ų156145.5 Ų145.583%0.83477%0.768SS**  -150.7100.5126.7-140-95.1000111.3
186S37.3Very low35.4Very low93 Ų93143.3 Ų143.365%0.6577%0.765SS**  trans-85.2160.9168.4-171.70000111.4
187E37.3Very low36.3Very low166 Ų166137.2 Ų137.278%0.77674%0.738SS**  trans72.5139.5173.4-47.1-170175.700116.2
188N30.2Very low37.2Very low141 Ų141135.7 Ų135.775%0.75473%0.726SS**  cis-146.8116.97-159.610.4000111.9
189S35.7Very low38.4Very low98 Ų98132.1 Ų132.169%0.68571%0.713SS**  trans37.8123.3130.1-156.30000122.2
190E38Very low39.5Very low184 Ų184129.8 Ų129.886%0.8669%0.692SS**  172.181.4115.7-96.2-168-177.700109.5
191S36.5Very low40.7Very low113 Ų113130.9 Ų130.979%0.7970%0.698SS**SBendtrans-171.226.3159.245.70000115.1
192E42.3Very low42Very low185 Ų185127.2 Ų127.286%0.86469%0.69SS**  trans-109.619.4173.8-69.8-166151.600113.4D194E192-D194 VanDerWaalsContact C-N 3.31Å
193E36.9Very low43.4Very low194 Ų194126.8 Ų126.891%0.90769%0.688SS**  trans-97.622.6167.2-143.2175.9-135.700111.8E195E193-E195 VanDerWaalsContact C-N 3.31Å
194D46.9Very low45.1Very low144 Ų144120.5 Ų120.577%0.7766%0.655SS**  trans-101.838.8162.4-16126.5000108.8E192 G196E192-D194 VanDerWaalsContact C-N 3.31Å; D194-G196 PolarHBondContact O-N 2.96Å
195E43Very low46.8Very low173 Ų173116.6 Ų116.681%0.80863%0.634SS**  trans-59.3105.7159.5-75.1-161.6156.800106.6E193 I197E193-E195 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 3.16Å
196G46.8Very low48.6Very low61 Ų61109.6 Ų109.663%0.62960%0.597SS**  trans-56.4107.7-159.300000112.5D194 P198D194-G196 PolarHBondContact O-N 2.96Å; G196-P198 WeakPolarHBondContact O-CD 3.2Å; G196-P198 VanDerWaalsContact O-N 3.11Å
197I48.1Very low50.3Low61 Ų61110.5 Ų110.531%0.31360%0.595SS.*  trans-54.2120.1168.7-53.2174.3000106.4Y134 Q135 L138 E195 D199Y134-I197 HydrophobicContact CE1-CD1 4.41Å; Q135-I197 HydrophobicContact CB-CG2 4.28Å; L138-I197 HydrophobicContact CD1-CD1 3.51Å; E195-I197 PolarHBondContact O-N 3.16Å; I197-D199 PolarHBondContact O-N 3.24Å
198P52.1Low52.2Low59 Ų59110.7 Ų110.738%0.38360%0.596SS.*  trans-54.3132178.7-2634.9000109.4I127 G196 I200I127-P198 HydrophobicContact CD1-CB 4.07Å; I127-P198 HydrophobicContact CG1-CB 4.34Å; G196-P198 WeakPolarHBondContact O-CD 3.2Å; G196-P198 VanDerWaalsContact O-N 3.11Å; P198-I200 PolarHBondContact O-N 3.33Å
199D53.6Low54.4Low100 Ų100105.4 Ų105.454%0.53557%0.567SS.*  trans-62.9103.7173.2-76.6-37.1000107.2K147 I197 D201 V202K147-D199 IonicContact NZ-OD1 3.06Å; K147-D199 PolarHBondContact NZ-OD1 3.42Å; K147-D199 IonicContact NZ-OD2 2.64Å; I197-D199 PolarHBondContact O-N 3.24Å; D199-D201 PolarHBondContact O-N 2.82Å; D199-V202 HydrophobicContact CB-CG2 4.23Å; D199-V202 WeakPolarHBondContact O-CB 3.48Å; D199-V202 WeakPolarHBondContact O-CG2 3.33Å; D199-V202 PolarHBondContact O-N 2.98Å; D199-V202 VanDerWaalsContact O-N 3.09Å
200I53.6Low56.8Low42 Ų42104.6 Ų104.622%0.21556%0.555CS.*THydrogen-bonded Turntrans-65.9-19.1-173.9-77.9150.3000112.5I127 C132 Q135 P198 V202I127-I200 HydrophobicContact CD1-CG1 4.1Å; I127-I200 HydrophobicContact CG2-CG1 4.24Å; C132-I200 HydrophobicContact CB-CD1 4.49Å; Q135-I200 HydrophobicContact CB-CD1 3.56Å; Q135-I200 HydrophobicContact CG-CD1 3.86Å; P198-I200 PolarHBondContact O-N 3.33Å; I200-V202 PolarHBondContact O-N 3.21Å
201D54.8Low58.9Low159 Ų159100.1 Ų100.185%0.8554%0.542SS*.THydrogen-bonded Turntrans-79.322.4170.6-71.5-24.6000113.6D199 E203D199-D201 PolarHBondContact O-N 2.82Å; D201-E203 PolarHBondContact O-N 2.95Å
202V60.6Low61.2Low96 Ų96101 Ų10158%0.58253%0.534SS*.  trans-71.396172.6166.90000109.9D199 I200 V204D199-V202 HydrophobicContact CB-CG2 4.23Å; D199-V202 WeakPolarHBondContact O-CB 3.48Å; D199-V202 WeakPolarHBondContact O-CG2 3.33Å; D199-V202 PolarHBondContact O-N 2.98Å; D199-V202 VanDerWaalsContact O-N 3.09Å; I200-V202 PolarHBondContact O-N 3.21Å; V202-V204 PolarHBondContact O-N 3.35Å
203E62.8Low63.2Low141 Ų14196 Ų9666%0.65951%0.51SS*.  trans-59.4107.5166.7-64.7-170.8142.600109.6R117 D201 D205R117-E203 IonicContact NH2-OE1 2.62Å; D201-E203 PolarHBondContact O-N 2.95Å; E203-D205 PolarHBondContact O-N 3Å
204V66.8Low65.6Low22 Ų2288.1 Ų88.113%0.13347%0.474CS..  trans-60.1106.8175.7-178.90000109.6Q121 F124 V202 V206 L209 L217Q121-V204 HydrophobicContact CB-CG2 4.02Å; Q121-V204 HydrophobicContact CG-CB 4.5Å; Q121-V204 HydrophobicContact CG-CG2 3.93Å; F124-V204 HydrophobicContact CD1-CG1 4.21Å; F124-V204 HydrophobicContact CD1-CG2 4.35Å; F124-V204 HydrophobicContact CE1-CG1 4.11Å; V202-V204 PolarHBondContact O-N 3.35Å; V204-V206 PolarHBondContact O-N 3.38Å; V204-V206 VanDerWaalsContact O-N 3.1Å; V204-L209 HydrophobicContact CG1-CD1 3.69Å; V204-L209 HydrophobicContact CG1-CD2 3.99Å; V204-L217 HydrophobicContact CG1-CD1 4.32Å
205D68.2Low67.5Low60 Ų6087.1 Ų87.132%0.32147%0.468SS..  trans-76.6101.5178.9-164.9-19.8000111E203 D207 E208 L209 K239E203-D205 PolarHBondContact O-N 3Å; D205-D207 PolarHBondContact O-N 3.3Å; D205-D207 PolarHBondContact OD1-N 3.33Å; D205-E208 HydrophobicContact CB-CG 4.34Å; D205-E208 PolarHBondContact O-N 3.45Å; D205-L209 WeakPolarHBondContact O-CD1 3.14Å; D205-K239 IonicContact OD1-NZ 2.61Å; D205-K239 PolarHBondContact OD1-NZ 2.96Å; D205-K239 IonicContact OD2-NZ 2.82Å; D205-K239 PolarHBondContact OD2-NZ 2.93Å
206V69.6Low69.5Low9 Ų982.5 Ų82.56%0.05545%0.449CS..THydrogen-bonded Turntrans-51.4-24.5177.8-173.60000114.2V204 L214 V232 L235 K236V204-V206 PolarHBondContact O-N 3.38Å; V204-V206 VanDerWaalsContact O-N 3.1Å; V206-L214 HydrophobicContact CG1-CD2 3.79Å; V206-V232 HydrophobicContact CG1-CG1 3.84Å; V206-L235 HydrophobicContact CG2-CB 3.61Å; V206-L235 HydrophobicContact CG2-CD1 3.78Å; V206-L235 HydrophobicContact CG2-CG 4.32Å; V206-K236 HydrophobicContact CB-CG 4.47Å; V206-K236 HydrophobicContact CG1-CD 4.24Å; V206-K236 HydrophobicContact CG1-CG 3.89Å
207D71.8Confident71.5Confident113 Ų11379.6 Ų79.660%0.60442%0.419SS*.THydrogen-bonded Turntrans-82.2-12.9179.1-66.1-28.6000113.5D205 K239D205-D207 PolarHBondContact O-N 3.3Å; D205-D207 PolarHBondContact OD1-N 3.33Å; D207-K239 IonicContact OD2-NZ 3.37Å; D207-K239 PolarHBondContact OD2-NZ 2.94Å
208E78.5Confident73.4Confident170 Ų17077.5 Ų77.579%0.79441%0.409SS*.THydrogen-bonded Turntrans-96.8-8.6176.7-59.7-166.3162.700113.2D205D205-E208 HydrophobicContact CB-CG 4.34Å; D205-E208 PolarHBondContact O-N 3.45Å
209L76.5Confident75.3Confident30 Ų3081.8 Ų81.816%0.15742%0.421CS..SBendtrans-85.2143.4-176.7-87.973.7000113.9F124 V204 D205 Q213 L214 L217F124-L209 HydrophobicContact CE1-CD2 3.79Å; F124-L209 HydrophobicContact CE1-CG 4.44Å; F124-L209 HydrophobicContact CE2-CD2 4.28Å; F124-L209 HydrophobicContact CZ-CD2 3.51Å; F124-L209 HydrophobicContact CZ-CG 4.21Å; V204-L209 HydrophobicContact CG1-CD1 3.69Å; V204-L209 HydrophobicContact CG1-CD2 3.99Å; D205-L209 WeakPolarHBondContact O-CD1 3.14Å; L209-Q213 HydrophobicContact CB-CB 4.31Å; L209-Q213 HydrophobicContact CD2-CB 4.03Å; L209-Q213 HydrophobicContact CG-CB 4.24Å; L209-L214 HydrophobicContact CB-CD2 3.75Å; L209-L214 HydrophobicContact CB-CG 4.15Å; L209-L214 HydrophobicContact CD2-CD2 3.99Å; L209-L217 HydrophobicContact CD2-CD1 3.38Å; L209-L217 HydrophobicContact CD2-CG 4.19Å
210N85.7Confident76.9Confident80 Ų8080 Ų8043%0.42841%0.41SS..  trans-65.4146.9170.5-156.248.1000110.2E212 Q213 L214N210-E212 PolarHBondContact ND2-OE2 3.48Å; N210-E212 PolarHBondContact O-N 3.18Å; N210-E212 VanDerWaalsContact O-N 3.13Å; N210-Q213 HydrophobicContact CB-CB 4.45Å; N210-Q213 HydrophobicContact CB-CG 4.09Å; N210-Q213 WeakPolarHBondContact O-CB 3.29Å; N210-Q213 PolarHBondContact O-N 3.43Å; N210-L214 PolarHBondContact O-N 3.47Å
211P82.5Confident78.7Confident90 Ų9078 Ų7858%0.58440%0.4SS*.Hα-helixtrans-60.5-26.5-179.523.4-34.5000113.7L214 L215P211-L214 PolarHBondContact O-N 2.86Å; P211-L215 WeakPolarHBondContact O-CG 3.45Å; P211-L215 PolarHBondContact O-N 3.36Å; P211-L215 VanDerWaalsContact O-N 3.16Å
212E84.1Confident80.3Confident132 Ų13273.4 Ų73.462%0.61738%0.378SS*.Hα-helixtrans-66-45.5171.5-64.9173.215300111.5N210 L214 L215 D216N210-E212 PolarHBondContact ND2-OE2 3.48Å; N210-E212 PolarHBondContact O-N 3.18Å; N210-E212 VanDerWaalsContact O-N 3.13Å; E212-L214 PolarHBondContact O-N 3.11Å; E212-L215 WeakPolarHBondContact O-CA 3.46Å; E212-L215 WeakPolarHBondContact O-CB 3.3Å; E212-L215 PolarHBondContact O-N 2.98Å; E212-D216 PolarHBondContact O-N 3.13Å
213Q85.1Confident81.7Confident80 Ų8073.8 Ų73.837%0.37438%0.382SS..Hα-helixtrans-63.3-31.1175.5-64.9173.6-50.900112.2F124 L209 N210 L215 D216 L217F124-Q213 HydrophobicContact CE2-CB 4.07Å; F124-Q213 HydrophobicContact CZ-CB 3.99Å; F124-Q213 HydrophobicContact CZ-CG 4.39Å; L209-Q213 HydrophobicContact CB-CB 4.31Å; L209-Q213 HydrophobicContact CD2-CB 4.03Å; L209-Q213 HydrophobicContact CG-CB 4.24Å; N210-Q213 HydrophobicContact CB-CB 4.45Å; N210-Q213 HydrophobicContact CB-CG 4.09Å; N210-Q213 WeakPolarHBondContact O-CB 3.29Å; N210-Q213 PolarHBondContact O-N 3.43Å; Q213-L215 VanDerWaalsContact C-N 3.35Å; Q213-D216 PolarHBondContact O-N 3.2Å; Q213-L217 WeakPolarHBondContact O-CB 3.34Å; Q213-L217 WeakPolarHBondContact O-CG 3.37Å; Q213-L217 PolarHBondContact O-N 2.72Å
214L85.8Confident82.9Confident29 Ų2969.6 Ų69.615%0.15236%0.361CS..Hα-helixtrans-68.2-33171.6-63-178.9000112.3V206 L209 N210 P211 E212 L217 N218 V232V206-L214 HydrophobicContact CG1-CD2 3.79Å; L209-L214 HydrophobicContact CB-CD2 3.75Å; L209-L214 HydrophobicContact CB-CG 4.15Å; L209-L214 HydrophobicContact CD2-CD2 3.99Å; N210-L214 PolarHBondContact O-N 3.47Å; P211-L214 PolarHBondContact O-N 2.86Å; E212-L214 PolarHBondContact O-N 3.11Å; L214-L217 HydrophobicContact CD2-CD1 4.43Å; L214-N218 PolarHBondContact O-N 3.35Å; L214-N218 PolarHBondContact O-ND2 2.77Å; L214-V232 HydrophobicContact CB-CG2 4.28Å; L214-V232 HydrophobicContact CD2-CG1 4.13Å; L214-V232 HydrophobicContact CD2-CG2 4.01Å
215L86.8Confident83.8Confident122 Ų12270.2 Ų70.264%0.63937%0.372SS*.Hα-helixtrans-71.4-43172.5-66.6172.4000110.7P211 E212 Q213 L217 N218 K219P211-L215 WeakPolarHBondContact O-CG 3.45Å; P211-L215 PolarHBondContact O-N 3.36Å; P211-L215 VanDerWaalsContact O-N 3.16Å; E212-L215 WeakPolarHBondContact O-CA 3.46Å; E212-L215 WeakPolarHBondContact O-CB 3.3Å; E212-L215 PolarHBondContact O-N 2.98Å; Q213-L215 VanDerWaalsContact C-N 3.35Å; L215-L217 PolarHBondContact O-N 3.15Å; L215-N218 PolarHBondContact O-N 3.3Å; L215-K219 WeakPolarHBondContact O-CB 3.23Å; L215-K219 PolarHBondContact O-N 3.08Å
216D86.6Confident84.9Confident76 Ų7667.9 Ų67.941%0.40636%0.359SS..Hα-helixtrans-62-41.4176-70-36.5000112.1E212 Q213 N218 K219 M220E212-D216 PolarHBondContact O-N 3.13Å; Q213-D216 PolarHBondContact O-N 3.2Å; D216-N218 PolarHBondContact O-N 3.29Å; D216-K219 CarbonylContact O-C 3.5Å; D216-K219 WeakPolarHBondContact O-CB 3.49Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.13Å; D216-M220 WeakPolarHBondContact O-CG 3.41Å; D216-M220 PolarHBondContact O-N 3.24Å
217L88.1Confident85.7Confident0 Ų068.3 Ų68.30%037%0.366CS..Hα-helixtrans-57.2-45.8171.2-89.6-178000112.9F124 V204 L209 Q213 L214 L215 K219 M220 A221 F231 V232F124-L217 HydrophobicContact CB-CD2 3.45Å; F124-L217 VanDerWaalsContact CB-CD2 3.45Å; F124-L217 HydrophobicContact CD1-CD2 3.95Å; F124-L217 HydrophobicContact CD1-CG 4.42Å; F124-L217 HydrophobicContact CD2-CD2 3.45Å; F124-L217 VanDerWaalsContact CD2-CD2 3.45Å; F124-L217 HydrophobicContact CD2-CG 3.62Å; F124-L217 HydrophobicContact CE2-CD2 4.18Å; F124-L217 HydrophobicContact CE2-CG 3.86Å; F124-L217 HydrophobicContact CG-CD2 3.32Å; F124-L217 HydrophobicContact CG-CG 3.93Å; F124-L217 HydrophobicContact CZ-CG 4.37Å; V204-L217 HydrophobicContact CG1-CD1 4.32Å; L209-L217 HydrophobicContact CD2-CD1 3.38Å; L209-L217 HydrophobicContact CD2-CG 4.19Å; Q213-L217 WeakPolarHBondContact O-CB 3.34Å; Q213-L217 WeakPolarHBondContact O-CG 3.37Å; Q213-L217 PolarHBondContact O-N 2.72Å; L214-L217 HydrophobicContact CD2-CD1 4.43Å; L215-L217 PolarHBondContact O-N 3.15Å; L217-K219 VanDerWaalsContact C-N 3.28Å; L217-K219 PolarHBondContact O-N 3.08Å; L217-M220 PolarHBondContact O-N 2.73Å; L217-A221 WeakPolarHBondContact O-CB 3.37Å; L217-A221 PolarHBondContact O-N 2.7Å; L217-F231 HydrophobicContact CB-CD1 4.21Å; L217-F231 HydrophobicContact CB-CE1 4.44Å; L217-F231 HydrophobicContact CD1-CE1 4.33Å; L217-F231 HydrophobicContact CD2-CD1 4.4Å; L217-F231 HydrophobicContact CD2-CE1 3.84Å; L217-F231 HydrophobicContact CG-CE1 4.46Å; L217-V232 HydrophobicContact CB-CG2 4.21Å; L217-V232 HydrophobicContact CD1-CG2 4.41Å
218N89Confident86.3Confident18 Ų1871.6 Ų71.610%0.09638%0.378CS..Hα-helixtrans-68.2-31.2177.4-73.1-57.2000111.7L214 L215 D216 A221 T222 G229 F231 V232L214-N218 PolarHBondContact O-N 3.35Å; L214-N218 PolarHBondContact O-ND2 2.77Å; L215-N218 PolarHBondContact O-N 3.3Å; D216-N218 PolarHBondContact O-N 3.29Å; N218-A221 WeakPolarHBondContact O-CB 3.35Å; N218-A221 PolarHBondContact O-N 2.63Å; N218-T222 WeakPolarHBondContact O-CG2 3.29Å; N218-T222 PolarHBondContact O-N 2.88Å; N218-G229 VanDerWaalsContact CG-CA 3.47Å; N218-G229 VanDerWaalsContact OD1-C 3.3Å; N218-G229 VanDerWaalsContact OD1-CA 3.26Å; N218-G229 WeakPolarHBondContact OD1-CA 3.29Å; N218-F231 PolarHBondContact OD1-N 3.34Å; N218-V232 VanDerWaalsContact ND2-CG2 3.26Å; N218-V232 WeakPolarHBondContact ND2-CG2 3.45Å; N218-V232 PolarHBondContact OD1-N 3.03Å; N218-V232 VanDerWaalsContact OD1-N 3.12Å
219K91.1Very high86.6Confident148 Ų14865 Ų6564%0.64336%0.355SS*.Hα-helixtrans-68.2-45.9173.8-173.9-177176.8-172.70111.5L215 D216 L217 A221 T222 P223L215-K219 WeakPolarHBondContact O-CB 3.23Å; L215-K219 PolarHBondContact O-N 3.08Å; D216-K219 CarbonylContact O-C 3.5Å; D216-K219 WeakPolarHBondContact O-CB 3.49Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.13Å; L217-K219 VanDerWaalsContact C-N 3.28Å; L217-K219 PolarHBondContact O-N 3.08Å; K219-A221 PolarHBondContact O-N 2.96Å; K219-T222 PolarHBondContact O-N 3.01Å; K219-T222 VanDerWaalsContact O-N 3.11Å; K219-T222 PolarHBondContact O-OG1 3.06Å; K219-P223 WeakPolarHBondContact O-CD 3.26Å
220M87.8Confident87.2Confident62 Ų6264.7 Ų64.731%0.30535%0.354SS..Hα-helixtrans-60.1-29.5172.8-70.2168.9175.900112.1V120 F124 D216 L217 P223 Y224V120-M220 HydrophobicContact CG1-CB 4.29Å; F124-M220 HydrophobicContact CB-SD 3.8Å; F124-M220 HydrophobicContact CD2-CE 4.33Å; F124-M220 HydrophobicContact CD2-SD 3.88Å; F124-M220 HydrophobicContact CG-SD 4.35Å; D216-M220 WeakPolarHBondContact O-CG 3.41Å; D216-M220 PolarHBondContact O-N 3.24Å; L217-M220 PolarHBondContact O-N 2.73Å; M220-P223 VanDerWaalsContact O-CD 3.25Å; M220-P223 WeakPolarHBondContact O-CD 3.44Å; M220-P223 VanDerWaalsContact O-CG 3.27Å; M220-P223 WeakPolarHBondContact O-CG 3.14Å; M220-Y224 VanDerWaalsContact O-CD2 3.27Å; M220-Y224 WeakPolarHBondContact O-CD2 3.38Å
221A90.4Very high87.4Confident0 Ų060.9 Ų60.90%033%0.333CS..Hα-helixtrans-73.5-25.1174.900000114.9V120 L217 N218 K219 Y224 M226 F231V120-A221 HydrophobicContact CG1-CB 4.17Å; L217-A221 WeakPolarHBondContact O-CB 3.37Å; L217-A221 PolarHBondContact O-N 2.7Å; N218-A221 WeakPolarHBondContact O-CB 3.35Å; N218-A221 PolarHBondContact O-N 2.63Å; K219-A221 PolarHBondContact O-N 2.96Å; A221-Y224 PolarHBondContact O-N 2.97Å; A221-M226 HydrophobicContact CB-CB 4.2Å; A221-M226 HydrophobicContact CB-CE 3.6Å; A221-M226 HydrophobicContact CB-SD 4.17Å; A221-F231 HydrophobicContact CB-CB 3.48Å; A221-F231 VanDerWaalsContact CB-CB 3.48Å; A221-F231 HydrophobicContact CB-CD2 4.25Å; A221-F231 HydrophobicContact CB-CG 3.86Å
222T89.3Confident87.8Confident64 Ų6457.1 Ų57.139%0.39331%0.309SS..G310 helixtrans-58.9-44.7-178.363.20000115.4N218 K219 Y224 G225N218-T222 WeakPolarHBondContact O-CG2 3.29Å; N218-T222 PolarHBondContact O-N 2.88Å; K219-T222 PolarHBondContact O-N 3.01Å; K219-T222 VanDerWaalsContact O-N 3.11Å; K219-T222 PolarHBondContact O-OG1 3.06Å; T222-Y224 PolarHBondContact O-N 3.1Å; T222-G225 PolarHBondContact O-N 3.3Å; T222-G225 VanDerWaalsContact O-N 3.09Å
223P90.1Very high88Confident103 Ų10358.4 Ų58.467%0.66931%0.308SS*.G310 helixtrans-62.3-23.4177.124.9-36.9000113.8K219 M220 G225K219-P223 WeakPolarHBondContact O-CD 3.26Å; M220-P223 VanDerWaalsContact O-CD 3.25Å; M220-P223 WeakPolarHBondContact O-CD 3.44Å; M220-P223 VanDerWaalsContact O-CG 3.27Å; M220-P223 WeakPolarHBondContact O-CG 3.14Å; P223-G225 PolarHBondContact O-N 2.88Å
224Y88.1Confident88.3Confident53 Ų5355.8 Ų55.821%0.20830%0.296CS..G310 helixtrans-83.99.9177.2-63.1-75000113.8N112 Y116 L119 V120 D123 M220 A221 T222N112-Y224 WeakPolarHBondContact CB-O 3.19Å; Y116-Y224 AromaticContact CD1-CD1 3.84Å; Y116-Y224 HydrophobicContact CD1-CD1 3.84Å; Y116-Y224 HydrophobicContact CD1-CE1 4.42Å; Y116-Y224 HydrophobicContact CD2-CD1 4.18Å; Y116-Y224 HydrophobicContact CD2-CG 4.44Å; Y116-Y224 WeakPolarHBondContact CD2-O 3.46Å; Y116-Y224 HydrophobicContact CE1-CD1 4.45Å; Y116-Y224 AromaticContact CG-CD1 3.67Å; Y116-Y224 HydrophobicContact CG-CD1 3.67Å; Y116-Y224 HydrophobicContact CG-CG 4.13Å; L119-Y224 HydrophobicContact CB-CE1 4.06Å; L119-Y224 HydrophobicContact CD1-CE1 3.88Å; V120-Y224 HydrophobicContact CG2-CD2 3.46Å; V120-Y224 VanDerWaalsContact CG2-CD2 3.46Å; V120-Y224 HydrophobicContact CG2-CE2 3.83Å; V120-Y224 HydrophobicContact CG2-CG 4.08Å; D123-Y224 VanDerWaalsContact OD2-CE2 3.23Å; D123-Y224 WeakPolarHBondContact OD2-CE2 3.42Å; D123-Y224 VanDerWaalsContact OD2-CZ 3.31Å; D123-Y224 PolarHBondContact OD2-OH 3.13Å; M220-Y224 VanDerWaalsContact O-CD2 3.27Å; M220-Y224 WeakPolarHBondContact O-CD2 3.38Å; A221-Y224 PolarHBondContact O-N 2.97Å; T222-Y224 PolarHBondContact O-N 3.1Å
225G85.7Confident88.5Confident36 Ų3654.9 Ų54.937%0.37129%0.291SS..THydrogen-bonded Turntrans75.332.3176.100000114N112 T222 P223N112-G225 PolarHBondContact ND2-O 3.05Å; N112-G225 VanDerWaalsContact ND2-O 3.16Å; T222-G225 PolarHBondContact O-N 3.3Å; T222-G225 VanDerWaalsContact O-N 3.09Å; P223-G225 PolarHBondContact O-N 2.88Å
226M90.1Very high88.6Confident10 Ų1053.8 Ų53.85%0.04928%0.282CS..PPolyproline II helixtrans-103.8151.1168.6-68179.9-90.100110.6N112 Y113 V120 A221 D230 F231N112-M226 HydrophobicContact CB-CG 4.45Å; Y113-M226 HydrophobicContact CD2-SD 3.92Å; Y113-M226 HydrophobicContact CG-SD 4.42Å; V120-M226 HydrophobicContact CG2-CE 3.53Å; A221-M226 HydrophobicContact CB-CB 4.2Å; A221-M226 HydrophobicContact CB-CE 3.6Å; A221-M226 HydrophobicContact CB-SD 4.17Å; M226-D230 HydrophobicContact CB-CB 4.45Å; M226-F231 HydrophobicContact CE-CD2 3.87Å; M226-F231 HydrophobicContact SD-CB 4.18Å; M226-F231 HydrophobicContact SD-CD2 3.73Å; M226-F231 HydrophobicContact SD-CG 4.43Å
227G86.1Confident88.8Confident19 Ų1954.7 Ų54.720%0.19628%0.282CS..PPolyproline II helixtrans-76.1162.1176.700000113.3G229 D230G227-G229 PolarHBondContact O-N 2.9Å; G227-D230 VanDerWaalsContact CA-OD2 3.28Å; G227-D230 WeakPolarHBondContact CA-OD2 3.42Å; G227-D230 PolarHBondContact N-OD2 2.89Å; G227-D230 VanDerWaalsContact O-CB 3.31Å; G227-D230 WeakPolarHBondContact O-CB 3.45Å; G227-D230 PolarHBondContact O-N 3.37Å
228E84.9Confident88.9Confident181 Ų18155.8 Ų55.885%0.84629%0.288SS*.THydrogen-bonded Turntrans-57.5123.7173.2-65.4-179.8-177.600110.7D230E228-D230 VanDerWaalsContact C-N 3.25Å; E228-D230 PolarHBondContact O-N 3.46Å
229G85.3Confident88.8Confident32 Ų3258 Ų5833%0.3330%0.296SS..THydrogen-bonded Turntrans80-7.3-177.300000115.5N218 G227 R233N218-G229 VanDerWaalsContact CG-CA 3.47Å; N218-G229 VanDerWaalsContact OD1-C 3.3Å; N218-G229 VanDerWaalsContact OD1-CA 3.26Å; N218-G229 WeakPolarHBondContact OD1-CA 3.29Å; G227-G229 PolarHBondContact O-N 2.9Å; G229-R233 VanDerWaalsContact O-CB 3.24Å; G229-R233 WeakPolarHBondContact O-CB 3.23Å; G229-R233 PolarHBondContact O-N 3.41Å
230D88.8Confident88.7Confident23 Ų2357.5 Ų57.512%0.12330%0.297CS..Hα-helixtrans-66.4-42.4-177.3-82.7-19.5000112.5R109 M226 G227 E228 R233 M234R109-D230 WeakPolarHBondContact CD-OD2 3.43Å; M226-D230 HydrophobicContact CB-CB 4.45Å; G227-D230 VanDerWaalsContact CA-OD2 3.28Å; G227-D230 WeakPolarHBondContact CA-OD2 3.42Å; G227-D230 PolarHBondContact N-OD2 2.89Å; G227-D230 VanDerWaalsContact O-CB 3.31Å; G227-D230 WeakPolarHBondContact O-CB 3.45Å; G227-D230 PolarHBondContact O-N 3.37Å; E228-D230 VanDerWaalsContact C-N 3.25Å; E228-D230 PolarHBondContact O-N 3.46Å; D230-R233 WeakPolarHBondContact O-CB 3.27Å; D230-R233 PolarHBondContact O-N 3.38Å; D230-R233 IonicContact OD1-CZ 3.94Å; D230-R233 IonicContact OD1-NE 2.92Å; D230-R233 IonicContact OD1-NH2 3.16Å; D230-R233 PolarHBondContact OD1-NH2 2.83Å; D230-M234 WeakPolarHBondContact O-CB 3.25Å; D230-M234 VanDerWaalsContact O-CG 3.24Å; D230-M234 WeakPolarHBondContact O-CG 3.39Å; D230-M234 PolarHBondContact O-N 3.16Å
231F89.8Confident88.6Confident0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-63.5-51.2-173.1-178.1-103.8000112.1Y113 R117 V120 Q121 L217 N218 A221 M226 R233 M234 L235Y113-F231 AromaticContact CD2-CD2 3.74Å; Y113-F231 HydrophobicContact CD2-CD2 3.74Å; Y113-F231 HydrophobicContact CD2-CE2 4.14Å; Y113-F231 AromaticContact CE2-CD2 3.75Å; Y113-F231 HydrophobicContact CE2-CD2 3.75Å; Y113-F231 AromaticContact CE2-CE2 3.87Å; Y113-F231 HydrophobicContact CE2-CE2 3.87Å; R117-F231 HydrophobicContact CB-CE2 4.49Å; R117-F231 HydrophobicContact CG-CE2 4.45Å; V120-F231 HydrophobicContact CB-CD2 4.36Å; V120-F231 HydrophobicContact CB-CE1 4.41Å; V120-F231 HydrophobicContact CB-CE2 3.74Å; V120-F231 HydrophobicContact CB-CZ 3.76Å; V120-F231 HydrophobicContact CG1-CD1 4.02Å; V120-F231 HydrophobicContact CG1-CD2 4.08Å; V120-F231 HydrophobicContact CG1-CE1 3.69Å; V120-F231 HydrophobicContact CG1-CE2 3.76Å; V120-F231 HydrophobicContact CG1-CG 4.21Å; V120-F231 HydrophobicContact CG1-CZ 3.54Å; V120-F231 HydrophobicContact CG2-CE2 4.24Å; Q121-F231 HydrophobicContact CG-CZ 4.03Å; L217-F231 HydrophobicContact CB-CD1 4.21Å; L217-F231 HydrophobicContact CB-CE1 4.44Å; L217-F231 HydrophobicContact CD1-CE1 4.33Å; L217-F231 HydrophobicContact CD2-CD1 4.4Å; L217-F231 HydrophobicContact CD2-CE1 3.84Å; L217-F231 HydrophobicContact CG-CE1 4.46Å; N218-F231 PolarHBondContact OD1-N 3.34Å; A221-F231 HydrophobicContact CB-CB 3.48Å; A221-F231 VanDerWaalsContact CB-CB 3.48Å; A221-F231 HydrophobicContact CB-CD2 4.25Å; A221-F231 HydrophobicContact CB-CG 3.86Å; M226-F231 HydrophobicContact CE-CD2 3.87Å; M226-F231 HydrophobicContact SD-CB 4.18Å; M226-F231 HydrophobicContact SD-CD2 3.73Å; M226-F231 HydrophobicContact SD-CG 4.43Å; F231-R233 VanDerWaalsContact C-N 3.29Å; F231-R233 PolarHBondContact O-N 3.18Å; F231-M234 PolarHBondContact O-N 2.81Å; F231-L235 HydrophobicContact CD1-CD1 3.88Å; F231-L235 HydrophobicContact CE1-CD1 3.29Å; F231-L235 HydrophobicContact CE1-CG 4.18Å; F231-L235 HydrophobicContact CE2-CD1 4.42Å; F231-L235 HydrophobicContact CZ-CD1 3.63Å; F231-L235 HydrophobicContact CZ-CG 4.14Å; F231-L235 PolarHBondContact O-N 2.78Å
232V90.1Very high88.5Confident12 Ų1263.3 Ų63.37%0.07333%0.329CS..Hα-helixtrans-64.9-34.3176.5170.30000111.6V206 L214 L217 N218 K236V206-V232 HydrophobicContact CG1-CG1 3.84Å; L214-V232 HydrophobicContact CB-CG2 4.28Å; L214-V232 HydrophobicContact CD2-CG1 4.13Å; L214-V232 HydrophobicContact CD2-CG2 4.01Å; L217-V232 HydrophobicContact CB-CG2 4.21Å; L217-V232 HydrophobicContact CD1-CG2 4.41Å; N218-V232 VanDerWaalsContact ND2-CG2 3.26Å; N218-V232 WeakPolarHBondContact ND2-CG2 3.45Å; N218-V232 PolarHBondContact OD1-N 3.03Å; N218-V232 VanDerWaalsContact OD1-N 3.12Å; V232-K236 HydrophobicContact CG1-CD 4.47Å; V232-K236 WeakPolarHBondContact O-CG 3.17Å; V232-K236 PolarHBondContact O-N 2.75Å; V232-K236 VanDerWaalsContact O-N 3.12Å
233R90.2Very high88.3Confident159 Ų15965.5 Ų65.560%0.634%0.335SS*.Hα-helixtrans-65.2-42.1175178173.569.61582.2111.9G229 D230 F231 K237G229-R233 VanDerWaalsContact O-CB 3.24Å; G229-R233 WeakPolarHBondContact O-CB 3.23Å; G229-R233 PolarHBondContact O-N 3.41Å; D230-R233 WeakPolarHBondContact O-CB 3.27Å; D230-R233 PolarHBondContact O-N 3.38Å; D230-R233 IonicContact OD1-CZ 3.94Å; D230-R233 IonicContact OD1-NE 2.92Å; D230-R233 IonicContact OD1-NH2 3.16Å; D230-R233 PolarHBondContact OD1-NH2 2.83Å; F231-R233 VanDerWaalsContact C-N 3.29Å; F231-R233 PolarHBondContact O-N 3.18Å; R233-K237 PolarHBondContact O-N 2.93Å
234M90.3Very high88.3Confident24 Ų2463.2 Ų63.212%0.11833%0.325CS..Hα-helixtrans-70.9-42.8178.4-70.2-71-68.700111.5K110 Y113 D230 F231 K236 K237 D238K110-M234 HydrophobicContact CB-CE 4.39Å; K110-M234 HydrophobicContact CG-CE 4.07Å; K110-M234 HydrophobicContact CG-SD 4.44Å; Y113-M234 HydrophobicContact CD1-CB 3.94Å; Y113-M234 HydrophobicContact CD1-CE 3.5Å; Y113-M234 HydrophobicContact CD1-CG 4.37Å; Y113-M234 HydrophobicContact CD2-CB 3.54Å; Y113-M234 HydrophobicContact CD2-CG 4.16Å; Y113-M234 HydrophobicContact CE1-CB 3.77Å; Y113-M234 HydrophobicContact CE1-CE 3.98Å; Y113-M234 HydrophobicContact CE2-CB 3.37Å; Y113-M234 HydrophobicContact CE2-CG 4.45Å; Y113-M234 HydrophobicContact CG-CB 3.82Å; Y113-M234 HydrophobicContact CG-CE 3.98Å; Y113-M234 HydrophobicContact CG-CG 4.11Å; Y113-M234 VanDerWaalsContact CZ-CB 3.48Å; D230-M234 WeakPolarHBondContact O-CB 3.25Å; D230-M234 VanDerWaalsContact O-CG 3.24Å; D230-M234 WeakPolarHBondContact O-CG 3.39Å; D230-M234 PolarHBondContact O-N 3.16Å; F231-M234 PolarHBondContact O-N 2.81Å; M234-K236 VanDerWaalsContact C-N 3.34Å; M234-K236 PolarHBondContact O-N 2.6Å; M234-K237 CarbonylContact O-C 3.53Å; M234-K237 WeakPolarHBondContact O-CA 3.49Å; M234-K237 WeakPolarHBondContact O-CB 3.29Å; M234-K237 PolarHBondContact O-N 3.28Å; M234-D238 PolarHBondContact O-N 3.02Å
235L89.8Confident88.2Confident10 Ų1066.1 Ų66.15%0.05234%0.342CS..Hα-helixtrans-58.5-41.9173.8-78173.7000112.9Y113 V206 F231 K237 D238 K239Y113-L235 HydrophobicContact CE2-CG 4.24Å; Y113-L235 WeakPolarHBondContact OH-CA 3.27Å; Y113-L235 WeakPolarHBondContact OH-CD2 3.38Å; Y113-L235 PolarHBondContact OH-N 2.67Å; V206-L235 HydrophobicContact CG2-CB 3.61Å; V206-L235 HydrophobicContact CG2-CD1 3.78Å; V206-L235 HydrophobicContact CG2-CG 4.32Å; F231-L235 HydrophobicContact CD1-CD1 3.88Å; F231-L235 HydrophobicContact CE1-CD1 3.29Å; F231-L235 HydrophobicContact CE1-CG 4.18Å; F231-L235 HydrophobicContact CE2-CD1 4.42Å; F231-L235 HydrophobicContact CZ-CD1 3.63Å; F231-L235 HydrophobicContact CZ-CG 4.14Å; F231-L235 PolarHBondContact O-N 2.78Å; L235-K237 VanDerWaalsContact C-N 3.3Å; L235-K237 PolarHBondContact O-N 3.02Å; L235-D238 PolarHBondContact O-N 3.03Å; L235-K239 PolarHBondContact O-N 3.18Å
236K90.1Very high88.2Confident100 Ų10071.5 Ų71.544%0.43536%0.356SS..Hα-helixtrans-62.6-38.2174.7-74.6-178.4180-172.40112.2V206 V232 M234 K239 E240V206-K236 HydrophobicContact CB-CG 4.47Å; V206-K236 HydrophobicContact CG1-CD 4.24Å; V206-K236 HydrophobicContact CG1-CG 3.89Å; V232-K236 HydrophobicContact CG1-CD 4.47Å; V232-K236 WeakPolarHBondContact O-CG 3.17Å; V232-K236 PolarHBondContact O-N 2.75Å; V232-K236 VanDerWaalsContact O-N 3.12Å; M234-K236 VanDerWaalsContact C-N 3.34Å; M234-K236 PolarHBondContact O-N 2.6Å; K236-K239 PolarHBondContact O-N 3.13Å; K236-E240 PolarHBondContact O-N 3.4Å
237K89.8Confident88Confident94 Ų9476.8 Ų76.841%0.40938%0.38SS..Hα-helixtrans-67.6-40.8175.9-177.9175.3171.3-72.90111.7R233 M234 L235 K239 E240 E241R233-K237 PolarHBondContact O-N 2.93Å; M234-K237 CarbonylContact O-C 3.53Å; M234-K237 WeakPolarHBondContact O-CA 3.49Å; M234-K237 WeakPolarHBondContact O-CB 3.29Å; M234-K237 PolarHBondContact O-N 3.28Å; L235-K237 VanDerWaalsContact C-N 3.3Å; L235-K237 PolarHBondContact O-N 3.02Å; K237-K239 VanDerWaalsContact C-N 3.34Å; K237-K239 PolarHBondContact O-N 2.94Å; K237-E240 PolarHBondContact O-N 2.98Å; K237-E241 WeakPolarHBondContact CE-OE1 3.41Å; K237-E241 IonicContact NZ-OE1 3.85Å; K237-E241 PolarHBondContact NZ-OE1 2.85Å; K237-E241 WeakPolarHBondContact O-CB 3.25Å; K237-E241 WeakPolarHBondContact O-CG 3.16Å; K237-E241 PolarHBondContact O-N 3.13Å
238D89.8Confident88.1Confident24 Ų2478.4 Ų78.413%0.12839%0.392CS..Hα-helixtrans-62-42.9174.4-69.81.7000111.2Y113 R117 M234 L235 E241 V242Y113-D238 VanDerWaalsContact CE1-OD2 3.29Å; Y113-D238 WeakPolarHBondContact CE1-OD2 3.44Å; Y113-D238 PolarHBondContact OH-OD2 3.2Å; R117-D238 IonicContact CZ-OD2 2.76Å; R117-D238 IonicContact NH1-OD2 2.65Å; R117-D238 PolarHBondContact NH1-OD2 3.09Å; M234-D238 PolarHBondContact O-N 3.02Å; L235-D238 PolarHBondContact O-N 3.03Å; D238-E241 PolarHBondContact O-N 3.33Å; D238-V242 WeakPolarHBondContact O-CG2 3.3Å; D238-V242 PolarHBondContact O-N 3.04Å
239K87.6Confident88.2Confident63 Ų6377.1 Ų77.127%0.27438%0.383SS..Hα-helixtrans-59.3-47.3174.1-165175.3-169.6177.20111.2D205 D207 L235 K236 K237 E241 V242 E243D205-K239 IonicContact OD1-NZ 2.61Å; D205-K239 PolarHBondContact OD1-NZ 2.96Å; D205-K239 IonicContact OD2-NZ 2.82Å; D205-K239 PolarHBondContact OD2-NZ 2.93Å; D207-K239 IonicContact OD2-NZ 3.37Å; D207-K239 PolarHBondContact OD2-NZ 2.94Å; L235-K239 PolarHBondContact O-N 3.18Å; K236-K239 PolarHBondContact O-N 3.13Å; K237-K239 VanDerWaalsContact C-N 3.34Å; K237-K239 PolarHBondContact O-N 2.94Å; K239-E241 PolarHBondContact O-N 2.81Å; K239-V242 PolarHBondContact O-N 3.09Å; K239-E243 WeakPolarHBondContact O-CG 3.49Å; K239-E243 PolarHBondContact O-N 3.11Å
240E88.9Confident88Confident139 Ų13978.3 Ų78.365%0.6539%0.39SS*.Hα-helixtrans-60.5-41.9174.5-171.9-176.518000112.1K236 K237 E243 A244K236-E240 PolarHBondContact O-N 3.4Å; K237-E240 PolarHBondContact O-N 2.98Å; E240-E243 PolarHBondContact O-N 3.4Å; E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 3.39Å
241E86.4Confident87.7Confident93 Ų9381.2 Ų81.244%0.43541%0.405SS..Hα-helixtrans-66.8-41178.7-75.8-169.6-155.300112.2K237 D238 K239 A244 I245K237-E241 WeakPolarHBondContact CE-OE1 3.41Å; K237-E241 IonicContact NZ-OE1 3.85Å; K237-E241 PolarHBondContact NZ-OE1 2.85Å; K237-E241 WeakPolarHBondContact O-CB 3.25Å; K237-E241 WeakPolarHBondContact O-CG 3.16Å; K237-E241 PolarHBondContact O-N 3.13Å; D238-E241 PolarHBondContact O-N 3.33Å; K239-E241 PolarHBondContact O-N 2.81Å; E241-A244 PolarHBondContact O-N 2.93Å; E241-I245 WeakPolarHBondContact O-CB 3.43Å; E241-I245 WeakPolarHBondContact O-CD1 3.43Å; E241-I245 VanDerWaalsContact O-CG1 3.23Å; E241-I245 WeakPolarHBondContact O-CG1 3.39Å; E241-I245 PolarHBondContact O-N 3.18Å
242V86.6Confident87.3Confident90 Ų9087.2 Ų87.255%0.54543%0.433SS..Hα-helixtrans-61.7-43.7172.7169.40000110.9D238 K239 I245 K246D238-V242 WeakPolarHBondContact O-CG2 3.3Å; D238-V242 PolarHBondContact O-N 3.04Å; K239-V242 PolarHBondContact O-N 3.09Å; V242-I245 PolarHBondContact O-N 2.88Å; V242-K246 VanDerWaalsContact O-CB 3.29Å; V242-K246 WeakPolarHBondContact O-CB 3.47Å; V242-K246 PolarHBondContact O-N 2.84Å
243E86.8Confident86.7Confident111 Ų11188.8 Ų88.852%0.51945%0.447SS..Hα-helixtrans-65.6-39.6174.6-72.5-162.7166.600112.8K239 E240 K246 H247K239-E243 WeakPolarHBondContact O-CG 3.49Å; K239-E243 PolarHBondContact O-N 3.11Å; E240-E243 PolarHBondContact O-N 3.4Å; E243-K246 WeakPolarHBondContact O-CB 3.38Å; E243-K246 PolarHBondContact O-N 2.85Å; E243-H247 VanDerWaalsContact O-CB 3.3Å; E243-H247 WeakPolarHBondContact O-CB 3.32Å; E243-H247 PolarHBondContact O-N 2.93Å
244A89.6Confident86Confident55 Ų5585.4 Ų85.446%0.45544%0.438SS..Hα-helixtrans-64.8-40.7175.700000111.6E240 E241 H247 A248E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 3.39Å; E241-A244 PolarHBondContact O-N 2.93Å; A244-H247 PolarHBondContact O-N 2.94Å; A244-A248 WeakPolarHBondContact O-CB 3.3Å; A244-A248 PolarHBondContact O-N 3.31Å
245I85.4Confident85.4Confident113 Ų11390 Ų9058%0.57946%0.457SS*.Hα-helixtrans-63.3-45.8172.6-70.3163.6000110.2E241 V242 H247 A248 K249E241-I245 WeakPolarHBondContact O-CB 3.43Å; E241-I245 WeakPolarHBondContact O-CD1 3.43Å; E241-I245 VanDerWaalsContact O-CG1 3.23Å; E241-I245 WeakPolarHBondContact O-CG1 3.39Å; E241-I245 PolarHBondContact O-N 3.18Å; V242-I245 PolarHBondContact O-N 2.88Å; I245-H247 PolarHBondContact O-N 2.76Å; I245-A248 PolarHBondContact O-N 2.83Å; I245-K249 WeakPolarHBondContact O-CB 3.47Å; I245-K249 PolarHBondContact O-N 3.19Å
246K86.8Confident84.3Confident150 Ų15091.9 Ų91.965%0.65248%0.475SS*.Hα-helixtrans-60.5-43.2176.9-175.7179.6-179.1-179.70111.5V242 E243 A250V242-K246 VanDerWaalsContact O-CB 3.29Å; V242-K246 WeakPolarHBondContact O-CB 3.47Å; V242-K246 PolarHBondContact O-N 2.84Å; E243-K246 WeakPolarHBondContact O-CB 3.38Å; E243-K246 PolarHBondContact O-N 2.85Å; K246-A250 WeakPolarHBondContact O-CB 3.26Å; K246-A250 PolarHBondContact O-N 3.41Å
247H85.1Confident82.9Confident120 Ų12093.8 Ų93.856%0.55649%0.487SS*.Hα-helixtrans-68.8-43.9176.2-178.6-118000112.2E243 A244 I245 K249 A250 L251E243-H247 VanDerWaalsContact O-CB 3.3Å; E243-H247 WeakPolarHBondContact O-CB 3.32Å; E243-H247 PolarHBondContact O-N 2.93Å; A244-H247 PolarHBondContact O-N 2.94Å; I245-H247 PolarHBondContact O-N 2.76Å; H247-K249 PolarHBondContact O-N 3.41Å; H247-A250 WeakPolarHBondContact O-CB 3.13Å; H247-A250 PolarHBondContact O-N 3.25Å; H247-L251 WeakPolarHBondContact O-CG 3.3Å; H247-L251 PolarHBondContact O-N 3.17Å
248A87.2Confident81.3Confident54 Ų5495.9 Ų95.945%0.44649%0.493SS..Hα-helixtrans-62.1-4217500000111.9A244 I245 L251 E252A244-A248 WeakPolarHBondContact O-CB 3.3Å; A244-A248 PolarHBondContact O-N 3.31Å; I245-A248 PolarHBondContact O-N 2.83Å; A248-L251 PolarHBondContact O-N 2.96Å; A248-E252 WeakPolarHBondContact O-CB 3.31Å; A248-E252 PolarHBondContact O-N 2.89Å
249K86.9Confident79.4Confident153 Ų15399 Ų9967%0.66552%0.516SS*.Hα-helixtrans-65.7-36.3173.9-173.2176.2-177176.60111.8I245 H247 A253I245-K249 WeakPolarHBondContact O-CB 3.47Å; I245-K249 PolarHBondContact O-N 3.19Å; H247-K249 PolarHBondContact O-N 3.41Å; K249-A253 WeakPolarHBondContact O-CB 3.44Å; K249-A253 PolarHBondContact O-N 3.32Å
250A82.8Confident78.1Confident57 Ų5798.5 Ų98.547%0.47153%0.529SS..Hα-helixtrans-67.1-43.8172.800000112.1K246 H247 A253 E254K246-A250 WeakPolarHBondContact O-CB 3.26Å; K246-A250 PolarHBondContact O-N 3.41Å; H247-A250 WeakPolarHBondContact O-CB 3.13Å; H247-A250 PolarHBondContact O-N 3.25Å; A250-A253 PolarHBondContact O-N 3.47Å; A250-E254 WeakPolarHBondContact O-CB 3.4Å; A250-E254 PolarHBondContact O-N 3.43Å
251L81.8Confident76.3Confident84 Ų84103.9 Ų103.944%0.4454%0.544SS..Hα-helixtrans-64.1-39.3174-72.5174.9000112.1H247 A248 K255H247-L251 WeakPolarHBondContact O-CG 3.3Å; H247-L251 PolarHBondContact O-N 3.17Å; A248-L251 PolarHBondContact O-N 2.96Å; L251-K255 WeakPolarHBondContact O-CB 3.46Å; L251-K255 PolarHBondContact O-N 3.31Å
252E81.4Confident74.7Confident126 Ų126105.2 Ų105.259%0.58955%0.545SS*.Hα-helixtrans-67.3-42.8172.9-177.9164.9-14300111.5A248 E254 K255 A256A248-E252 WeakPolarHBondContact O-CB 3.31Å; A248-E252 PolarHBondContact O-N 2.89Å; E252-E254 PolarHBondContact O-N 2.97Å; E252-K255 CarbonylContact O-C 3.6Å; E252-K255 WeakPolarHBondContact O-CB 3.37Å; E252-K255 PolarHBondContact O-N 2.95Å; E252-A256 WeakPolarHBondContact O-CB 3.37Å; E252-A256 PolarHBondContact O-N 3.46Å
253A77.6Confident73.1Confident45 Ų45104.5 Ų104.537%0.37254%0.544SS..Hα-helixtrans-62.6-41.7175.600000111.7K249 A250 A256 M257K249-A253 WeakPolarHBondContact O-CB 3.44Å; K249-A253 PolarHBondContact O-N 3.32Å; A250-A253 PolarHBondContact O-N 3.47Å; A253-A256 PolarHBondContact O-N 3.42Å; A253-M257 WeakPolarHBondContact O-CB 3.33Å; A253-M257 VanDerWaalsContact O-CG 3.3Å; A253-M257 WeakPolarHBondContact O-CG 3.47Å; A253-M257 PolarHBondContact O-N 2.83Å
254E74.7Confident71.5Confident89 Ų89108.5 Ų108.542%0.41655%0.554SS.*Hα-helixtrans-59.2-54.4172.4-167.3-160.1161.200110A250 E252 A256 M257 Y258A250-E254 WeakPolarHBondContact O-CB 3.4Å; A250-E254 PolarHBondContact O-N 3.43Å; E252-E254 PolarHBondContact O-N 2.97Å; E254-A256 PolarHBondContact O-N 2.86Å; E254-M257 PolarHBondContact O-N 3.21Å; E254-M257 VanDerWaalsContact O-N 3.15Å; E254-Y258 HydrophobicContact CG-CD2 3.87Å; E254-Y258 HydrophobicContact CG-CE2 3.62Å; E254-Y258 WeakPolarHBondContact O-CD2 3.48Å; E254-Y258 PolarHBondContact O-N 3.17Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.35Å
255K77.6Confident69.8Low119 Ų119114.2 Ų114.252%0.51756%0.564SS.*Hα-helixtrans-55.7-36.3176.7178.7-175.4174.1-166.10112L251 E252 Y258 S259L251-K255 WeakPolarHBondContact O-CB 3.46Å; L251-K255 PolarHBondContact O-N 3.31Å; E252-K255 CarbonylContact O-C 3.6Å; E252-K255 WeakPolarHBondContact O-CB 3.37Å; E252-K255 PolarHBondContact O-N 2.95Å; K255-Y258 CarbonylContact O-C 3.57Å; K255-Y258 PolarHBondContact O-N 3.13Å; K255-S259 WeakPolarHBondContact O-CB 3.12Å; K255-S259 PolarHBondContact O-N 2.84Å
256A67.9Low68.6Low50 Ų50112.6 Ų112.641%0.41355%0.554SS.*Hα-helixtrans-73.1-43.2177.100000112E252 A253 E254 Y258 S259E252-A256 WeakPolarHBondContact O-CB 3.37Å; E252-A256 PolarHBondContact O-N 3.46Å; A253-A256 PolarHBondContact O-N 3.42Å; E254-A256 PolarHBondContact O-N 2.86Å; A256-Y258 PolarHBondContact O-N 3.29Å; A256-S259 WeakPolarHBondContact CA-OG 3.47Å; A256-S259 WeakPolarHBondContact O-CA 3.5Å; A256-S259 PolarHBondContact O-N 3.14Å; A256-S259 VanDerWaalsContact O-O 3.12Å; A256-S259 PolarHBondContact O-OG 2.92Å
257M60Low67.3Low140 Ų140112.6 Ų112.669%0.6955%0.55SS*.Hα-helixtrans-60.9-27.1171.5-72.8-169.1-166.500112.6A253 E254 R262A253-M257 WeakPolarHBondContact O-CB 3.33Å; A253-M257 VanDerWaalsContact O-CG 3.3Å; A253-M257 WeakPolarHBondContact O-CG 3.47Å; A253-M257 PolarHBondContact O-N 2.83Å; E254-M257 PolarHBondContact O-N 3.21Å; E254-M257 VanDerWaalsContact O-N 3.15Å; M257-R262 PolarHBondContact O-NH1 3.03Å; M257-R262 VanDerWaalsContact O-NH1 3.15Å; M257-R262 PolarHBondContact O-NH2 3.45Å
258Y56.3Low66.3Low139 Ų139114.2 Ų114.255%0.54555%0.551SS.*Hα-helixtrans-89.1-14169.7-69.9-66.2000114.3E254 K255 A256 G260E254-Y258 HydrophobicContact CG-CD2 3.87Å; E254-Y258 HydrophobicContact CG-CE2 3.62Å; E254-Y258 WeakPolarHBondContact O-CD2 3.48Å; E254-Y258 PolarHBondContact O-N 3.17Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.35Å; K255-Y258 CarbonylContact O-C 3.57Å; K255-Y258 PolarHBondContact O-N 3.13Å; A256-Y258 PolarHBondContact O-N 3.29Å; Y258-G260 PolarHBondContact O-N 3.3Å
259S48.9Very low65.5Low88 Ų88115.4 Ų115.462%0.61555%0.547SS*.SBendtrans-85.2105.2175.887.40000110.9K255 A256K255-S259 WeakPolarHBondContact O-CB 3.12Å; K255-S259 PolarHBondContact O-N 2.84Å; A256-S259 WeakPolarHBondContact CA-OG 3.47Å; A256-S259 WeakPolarHBondContact O-CA 3.5Å; A256-S259 PolarHBondContact O-N 3.14Å; A256-S259 VanDerWaalsContact O-O 3.12Å; A256-S259 PolarHBondContact O-OG 2.92Å
260G61.8Low64.2Low53 Ų53114.2 Ų114.255%0.54654%0.542SS..SBendtrans176.1-171.6-179.100000113.8Y258 R262Y258-G260 PolarHBondContact O-N 3.3Å; G260-R262 PolarHBondContact O-N 2.92Å
261R51Low63.4Low253 Ų253118 Ų11896%0.95554%0.544SS*.SBendtrans-76.232.3-175.6-143.3177.9-154.3-100.31.9113.7
262R53Low62.8Low121 Ų121120.3 Ų120.346%0.45755%0.553SS.*  trans-80.7169.6-175.5-63.9-172.4173.9177.2-2.1113.3M257 G260 R267M257-R262 PolarHBondContact O-NH1 3.03Å; M257-R262 VanDerWaalsContact O-NH1 3.15Å; M257-R262 PolarHBondContact O-NH2 3.45Å; G260-R262 PolarHBondContact O-N 2.92Å; R262-R267 PolarHBondContact O-NH2 3.27Å
263S51.9Low62.2Low74 Ų74122 Ų12252%0.51756%0.559SS.*  trans-58.1156.2-163.9-179.50000115.5R265 Q266 R267S263-R265 PolarHBondContact O-N 2.81Å; S263-R265 PolarHBondContact OG-N 3.05Å; S263-Q266 PolarHBondContact O-N 3.17Å; S263-R267 PolarHBondContact O-N 3.21Å
264R53.3Low61.5Low196 Ų196128.2 Ų128.274%0.7457%0.572SS**THydrogen-bonded Turntrans-58.7-26172.6-165.8178.8-172.5-171.92.2112.2R268R264-R268 PolarHBondContact O-N 3.42Å
265R54.4Low60.9Low175 Ų175128 Ų12866%0.6657%0.574SS**THydrogen-bonded Turntrans-67.9-52.9177.6180173.7174.6173.52.8112.4S263 R267 R268 E269S263-R265 PolarHBondContact O-N 2.81Å; S263-R265 PolarHBondContact OG-N 3.05Å; R265-R267 PolarHBondContact O-N 3.22Å; R265-R268 WeakPolarHBondContact O-CA 3.42Å; R265-R268 WeakPolarHBondContact O-CB 3.44Å; R265-R268 PolarHBondContact O-N 2.82Å; R265-E269 WeakPolarHBondContact CG-OE1 3.42Å; R265-E269 IonicContact CZ-OE1 2.69Å; R265-E269 IonicContact NE-OE1 3.14Å; R265-E269 PolarHBondContact NE-OE1 3.34Å; R265-E269 IonicContact NH2-OE1 3.19Å; R265-E269 PolarHBondContact O-N 2.68Å
266Q61.2Low60.2Low78 Ų78131.1 Ų131.136%0.36459%0.587SS.*Hα-helixtrans-61.1-29176.6-70.4175.3-9.900112.6S263 R268 E269 F270S263-Q266 PolarHBondContact O-N 3.17Å; Q266-R268 VanDerWaalsContact C-N 3.32Å; Q266-R268 PolarHBondContact O-N 2.65Å; Q266-E269 WeakPolarHBondContact CA-OE2 3.3Å; Q266-F270 VanDerWaalsContact O-CB 3.27Å; Q266-F270 WeakPolarHBondContact O-CB 3.48Å; Q266-F270 PolarHBondContact O-N 2.83Å
267R58.4Low59.7Low151 Ų151132.7 Ų132.757%0.5761%0.609SS**Hα-helixtrans-74.5-12.9171.4-90-178.1-84.5-161.7-9115.4R262 S263 R265R262-R267 PolarHBondContact O-NH2 3.27Å; S263-R267 PolarHBondContact O-N 3.21Å; R265-R267 PolarHBondContact O-N 3.22Å
268R65.3Low60Low153 Ų153135 Ų13558%0.57761%0.61SS**Hα-helixtrans-86.6-51.8166.7-68.7179.8-177.3170.8-1.9109.8R264 R265 Q266 F270 R271 E272R264-R268 PolarHBondContact O-N 3.42Å; R265-R268 WeakPolarHBondContact O-CA 3.42Å; R265-R268 WeakPolarHBondContact O-CB 3.44Å; R265-R268 PolarHBondContact O-N 2.82Å; Q266-R268 VanDerWaalsContact C-N 3.32Å; Q266-R268 PolarHBondContact O-N 2.65Å; R268-F270 PolarHBondContact O-N 3.29Å; R268-R271 WeakPolarHBondContact O-CA 3.37Å; R268-R271 WeakPolarHBondContact O-CB 3.42Å; R268-R271 PolarHBondContact O-N 3.33Å; R268-E272 WeakPolarHBondContact O-CB 3.29Å; R268-E272 PolarHBondContact O-N 2.85Å
269E68.6Low60Low80 Ų80137.8 Ų137.837%0.37463%0.628SS.*Hα-helixtrans-54.1-38.6177.6-68.2155.917600111.4R265 Q266 E272 K273R265-E269 WeakPolarHBondContact CG-OE1 3.42Å; R265-E269 IonicContact CZ-OE1 2.69Å; R265-E269 IonicContact NE-OE1 3.14Å; R265-E269 PolarHBondContact NE-OE1 3.34Å; R265-E269 IonicContact NH2-OE1 3.19Å; R265-E269 PolarHBondContact O-N 2.68Å; Q266-E269 WeakPolarHBondContact CA-OE2 3.3Å; E269-E272 PolarHBondContact O-N 3.48Å; E269-K273 WeakPolarHBondContact O-CB 3.2Å; E269-K273 PolarHBondContact O-N 3.47Å
270F61.1Low60.4Low128 Ų128138.7 Ų138.756%0.56162%0.624SS**Hα-helixtrans-66.8-38172.2179.5-101.3000114.4Q266 R268 E272 R274Q266-F270 VanDerWaalsContact O-CB 3.27Å; Q266-F270 WeakPolarHBondContact O-CB 3.48Å; Q266-F270 PolarHBondContact O-N 2.83Å; R268-F270 PolarHBondContact O-N 3.29Å; F270-E272 VanDerWaalsContact C-N 3.35Å; F270-R274 WeakPolarHBondContact O-CB 3.36Å; F270-R274 PolarHBondContact O-N 3.41Å; F270-R274 VanDerWaalsContact O-N 3.15Å
271R64.8Low60.3Low135 Ų135140.9 Ų140.951%0.50963%0.631SS.*Hα-helixtrans-70.1-38.6176.9-170.7-177.8-54.2156.111.9110.5R268 R274 L275R268-R271 WeakPolarHBondContact O-CA 3.37Å; R268-R271 WeakPolarHBondContact O-CB 3.42Å; R268-R271 PolarHBondContact O-N 3.33Å; R271-R274 PolarHBondContact O-N 3.05Å; R271-L275 HydrophobicContact CG-CD1 4.23Å; R271-L275 WeakPolarHBondContact O-CD1 3.39Å; R271-L275 PolarHBondContact O-N 2.96Å
272E68.8Low61.1Low134 Ų134133.6 Ų133.663%0.62662%0.617SS**Hα-helixtrans-66.3-47.3177-162.5177155.500111.1R268 E269 F270 R274 L275 K276R268-E272 WeakPolarHBondContact O-CB 3.29Å; R268-E272 PolarHBondContact O-N 2.85Å; E269-E272 PolarHBondContact O-N 3.48Å; F270-E272 VanDerWaalsContact C-N 3.35Å; E272-R274 PolarHBondContact O-N 3.27Å; E272-L275 PolarHBondContact O-N 2.95Å; E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.37Å; E272-K276 PolarHBondContact O-N 2.82Å
273K70.3Confident61.3Low162 Ų162132.6 Ų132.670%0.70463%0.626SS**Hα-helixtrans-61.6-24.5173-162.8178.2-179.4-172.80112.9E269E269-K273 WeakPolarHBondContact O-CB 3.2Å; E269-K273 PolarHBondContact O-N 3.47Å
274R61.3Low61.4Low174 Ų174134.5 Ų134.566%0.65764%0.639SS**Hα-helixtrans-84.1-18.3172.1-102.9-164.565177.7-0.6115.4F270 R271 E272F270-R274 WeakPolarHBondContact O-CB 3.36Å; F270-R274 PolarHBondContact O-N 3.41Å; F270-R274 VanDerWaalsContact O-N 3.15Å; R271-R274 PolarHBondContact O-N 3.05Å; E272-R274 PolarHBondContact O-N 3.27Å
275L62.5Low61.6Low86 Ų86135.6 Ų135.645%0.4565%0.645SS.*Hα-helixtrans-100.4-26.3177.9-98.369.4000111.9R271 E272 G277 R278 I280R271-L275 HydrophobicContact CG-CD1 4.23Å; R271-L275 WeakPolarHBondContact O-CD1 3.39Å; R271-L275 PolarHBondContact O-N 2.96Å; E272-L275 PolarHBondContact O-N 2.95Å; L275-G277 PolarHBondContact O-N 2.9Å; L275-R278 PolarHBondContact O-N 3.45Å; L275-I280 HydrophobicContact CD2-CD1 4.15Å; L275-I280 HydrophobicContact CG-CD1 3.93Å
276K62.8Low61.8Low183 Ų183130.7 Ų130.780%0.79664%0.642SS**THydrogen-bonded Turntrans-63.6105.2175.6-171.2171-175.3174.50109.7E272E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.37Å; E272-K276 PolarHBondContact O-N 2.82Å
277G57.4Low61.6Low84 Ų84137.9 Ų137.987%0.86667%0.665SS**THydrogen-bonded Turntrans112.6-4.1-174.100000114.9L275L275-G277 PolarHBondContact O-N 2.9Å
278R66.9Low61Low189 Ų189141.4 Ų141.471%0.71368%0.679SS**  trans-110.7125.5169.8-75.4-177.8166.3-129.1-4.1110.2L275 I280L275-R278 PolarHBondContact O-N 3.45Å; R278-I280 HydrophobicContact CB-CD1 3.93Å; R278-I280 WeakPolarHBondContact O-CD1 3.39Å; R278-I280 PolarHBondContact O-N 3.22Å
279Q55.4Low60.3Low197 Ų197142 Ų14292%0.92169%0.694SS**  trans-73.4112.5164.5-62.5-66.23.100108.1
280I58.8Low59.3Low107 Ų107142.9 Ų142.955%0.54971%0.708SS.*PPolyproline II helixtrans-90.5120.8171.5-78.977.7000106.7L275 R278L275-I280 HydrophobicContact CD2-CD1 4.15Å; L275-I280 HydrophobicContact CG-CD1 3.93Å; R278-I280 HydrophobicContact CB-CD1 3.93Å; R278-I280 WeakPolarHBondContact O-CD1 3.39Å; R278-I280 PolarHBondContact O-N 3.22Å
281S59.7Low58.7Low99 Ų99143.2 Ų143.269%0.69272%0.723SS**PPolyproline II helixtrans-59.8146.4172.349.70000110.8
282P68.1Low57.8Low99 Ų99143 Ų14364%0.64374%0.737SS**PPolyproline II helixtrans-53.8137.3-179.8-27.735.5000111.8S284 A286P282-S284 PolarHBondContact O-N 2.93Å; P282-A286 HydrophobicContact CB-CB 4.38Å
283P56.8Low56.6Low101 Ų101145.8 Ų145.866%0.65674%0.743SS**PPolyproline II helixtrans-52.9139.3177.3-2634.3000111.3Y285 A286P283-Y285 PolarHBondContact O-N 3.4Å; P283-A286 WeakPolarHBondContact O-CB 3.08Å; P283-A286 PolarHBondContact O-N 3.07Å
284S54.2Low55.2Low114 Ų114145 Ų14580%0.79775%0.747SS**G310 helixtrans-55.8-15.6-168.5-41.80000115.9P282 A286P282-S284 PolarHBondContact O-N 2.93Å; S284-A286 VanDerWaalsContact C-N 3.31Å
285Y57.5Low54.4Low219 Ų219141.2 Ų141.286%0.85975%0.745SS**G310 helixtrans-75.4-14.1175.1-157.5-98.3000114P283P283-Y285 PolarHBondContact O-N 3.4Å
286A58Low53.4Low71 Ų71147.5 Ų147.559%0.58776%0.764SS**G310 helixtrans-89.40.7179.400000114.1P282 P283 S284 R288P282-A286 HydrophobicContact CB-CB 4.38Å; P283-A286 WeakPolarHBondContact O-CB 3.08Å; P283-A286 PolarHBondContact O-N 3.07Å; S284-A286 VanDerWaalsContact C-N 3.31Å; A286-R288 PolarHBondContact O-N 2.76Å
287R56.5Low52.1Low229 Ų229148.8 Ų148.886%0.86477%0.769SS**  trans-90.379.7173.9-74.9-169.8171.1-150.4-3.4110.3
288R46.7Very low50.9Low225 Ų225156 Ų15685%0.84977%0.771SS**  trans-157.868.8176.1-134.2178.2-179.6-163-3.8113.4A286A286-R288 PolarHBondContact O-N 2.76Å
289D50.1Low50Low167 Ų167151.6 Ų151.689%0.89377%0.767SS**  trans-92.4127.2156.9-65.5-45.8000108.4
290S47.4Very low48.8Very low97 Ų97150 Ų15068%0.67876%0.759SS**  trans-95.6124.1-179.350.90000110.6T292S290-T292 PolarHBondContact O-N 3.33Å; S290-T292 VanDerWaalsContact O-N 3.08Å
291P48.7Very low47.6Very low135 Ų135149.8 Ų149.888%0.87777%0.767SS**  trans-67.4106166.5-18.432.6000109.7
292T46.2Very low46.2Very low131 Ų131154 Ų15480%0.80478%0.776SS**  trans-78.2137.9170.5-62.30000109.7S290S290-T292 PolarHBondContact O-N 3.33Å; S290-T292 VanDerWaalsContact O-N 3.08Å
293Y44.2Very low44.3Very low193 Ų193154.8 Ų154.876%0.75778%0.784SS**  trans-74.6132.1-179176.8-84.5000112.2
294D39.6Very low42.8Very low146 Ų146155.1 Ų155.178%0.78179%0.788SS**  trans-161166.3155.1-131.96.3000109.8
295P45.8Very low41.7Very low94 Ų94154.6 Ų154.661%0.6179%0.785SS**  -124.1177.5-112.836.1-17.4000115.5K297P295-K297 PolarHBondContact O-N 2.71Å
296Y39.8Very low40.2Very low217 Ų217151 Ų15185%0.85178%0.776SS**  trans-47.6120.7-173.4-81-103.5000117.1
297K36.1Very low39.1Very low210 Ų210152.8 Ų152.891%0.91378%0.784SS**  trans-141.4139.3143.9-73.6-60.9-177.2179.40111.3P295P295-K297 PolarHBondContact O-N 2.71Å
298R31.8Very low37.7Very low236 Ų236151.1 Ų151.189%0.89178%0.778SS**  trans-154.5156.8175.4-154.4-167.1174.7-176.40.6104.9
299P48.2Very low36.9Very low97 Ų97145.3 Ų145.363%0.6377%0.772SS**  cis-116.6-173.83.831.3-7.2000112.6
300E30.5Very low35.9Very low162 Ų162149.3 Ų149.376%0.75777%0.774SS**  cis-143.4170.936.9-72.8-87.7107.700113.1
301S33.7Very low35.2Very low103 Ų103149.9 Ų149.972%0.7278%0.778SS**  trans17.8121.8158.7580000119.1
302E29.9Very low34.4Very low189 Ų189155 Ų15588%0.88378%0.78SS**  -163.5158.761.8-79.3-171.3131.600114.2
303S28.1Very low34.2Very low115 Ų115155.3 Ų155.380%0.80478%0.782SS**  trans59.5109.8152-147.50000122.9
304S26.7Very low33.8Very low107 Ų107151.9 Ų151.975%0.74878%0.784SS**  trans85.4129.2136.5-160.80000121.9
305S29.6Very low33.6Very low104 Ų104148.1 Ų148.173%0.72778%0.779SS**  trans87.762.4158.2-560000119.2S307S305-S307 PolarHBondContact O-N 2.79Å; S305-S307 VanDerWaalsContact O-N 3.12Å
306E25.7Very low34.1Very low142 Ų142149.5 Ų149.566%0.66479%0.788SS**  trans-66.699.2162.7-179.278.5-169.900111.3R308E306-R308 VanDerWaalsContact OE1-CD 3.27Å; E306-R308 WeakPolarHBondContact OE1-CD 3.39Å; E306-R308 IonicContact OE1-CZ 3.61Å; E306-R308 IonicContact OE1-NE 3.83Å; E306-R308 IonicContact OE1-NH1 2.66Å; E306-R308 PolarHBondContact OE1-NH1 3.33Å; E306-R308 IonicContact OE2-NH1 3.66Å
307S34.9Very low34Very low110 Ų110145.9 Ų145.977%0.76978%0.779SS**  trans-81.9105.6161.4-70.80000110.8S305S305-S307 PolarHBondContact O-N 2.79Å; S305-S307 VanDerWaalsContact O-N 3.12Å
308R27.4Very low34.2Very low193 Ų193143.2 Ų143.273%0.72877%0.767SS**  trans-141.798.3160.3-82.3-171.7168.996.80.9110.5E306E306-R308 VanDerWaalsContact OE1-CD 3.27Å; E306-R308 WeakPolarHBondContact OE1-CD 3.39Å; E306-R308 IonicContact OE1-CZ 3.61Å; E306-R308 IonicContact OE1-NE 3.83Å; E306-R308 IonicContact OE1-NH1 2.66Å; E306-R308 PolarHBondContact OE1-NH1 3.33Å; E306-R308 IonicContact OE2-NH1 3.66Å
309S31.5Very low34.9Very low103 Ų103139.1 Ų139.172%0.7276%0.762SS**  63124.883-65.90000114.3
310R28.5Very low34.7Very low251 Ų251140.4 Ų140.495%0.94777%0.768SS**  -162.5147.6129.7-104.9144.4-175.2164.50.5113.3
311S32.1Very low35.6Very low109 Ų109140.7 Ų140.776%0.76277%0.767SS**  trans-75.3154.4178.842.60000112.7
312R31.8Very low36.3Very low242 Ų242141.8 Ų141.891%0.91376%0.763SS**  trans-164.3129137.3-106.8167.6-167.9-138.72.4109.6
313T41.8Very low37Very low139 Ų139139.2 Ų139.285%0.85376%0.761SS**  trans-79.1139.3155.841.20000108.3
314P37.4Very low38.4Very low121 Ų121138 Ų13879%0.78675%0.753SS**  -126.9147.3120.36.814000110.4
315G34.2Very low39Very low66 Ų66142.4 Ų142.468%0.6876%0.759SS**  trans-87.2-162.2155.900000109.7
316P55.6Low39.3Very low124 Ų124141 Ų14181%0.80576%0.76SS**  cis-105.8-141.5-19.236.6-22.8000109.5
317E37.9Very low39.6Very low141 Ų141138.2 Ų138.266%0.65977%0.769SS**  trans106.7123.3158.7-52.1-140.3145.900120.3
318K40.5Very low39.7Very low153 Ų153137.7 Ų137.767%0.66577%0.766SS**  trans38.5104.7138.4-58.2163.8-163.8144.10117.8T320K318-T320 PolarHBondContact O-N 3.47Å
319I46.5Very low40Very low151 Ų151136.6 Ų136.677%0.77477%0.774SS**  trans-61.8102.3156.6-60.2166.4000108.2F321I319-F321 HydrophobicContact CG2-CE2 4.2Å; I319-F321 HydrophobicContact CG2-CZ 4.31Å
320T45.4Very low40.4Very low124 Ų124139 Ų13976%0.76178%0.78SS**  trans-80.7125.9165.644.80000108.8K318K318-T320 PolarHBondContact O-N 3.47Å
321F48.3Very low40.8Very low168 Ų168135.7 Ų135.774%0.73778%0.775SS**  trans-82.3139.2169.1-69-91.3000108.5I319 T323I319-F321 HydrophobicContact CG2-CE2 4.2Å; I319-F321 HydrophobicContact CG2-CZ 4.31Å; F321-T323 PolarHBondContact O-N 3Å
322I48.6Very low40.9Very low125 Ų125134.7 Ų134.764%0.64177%0.773SS**  trans-68.9100.7172.1-61171.6000107.6S324 F325I322-S324 VanDerWaalsContact C-N 3.27Å; I322-S324 WeakPolarHBondContact CG2-O 3.27Å; I322-S324 PolarHBondContact O-N 3.36Å; I322-F325 HydrophobicContact CB-CE2 4.38Å; I322-F325 HydrophobicContact CD1-CE2 3.98Å; I322-F325 HydrophobicContact CD1-CZ 4.19Å; I322-F325 HydrophobicContact CG2-CD2 3.86Å; I322-F325 HydrophobicContact CG2-CE2 3.71Å; I322-F325 HydrophobicContact CG2-CZ 4.42Å
323T45.5Very low40.8Very low136 Ų136127.8 Ų127.883%0.83477%0.767SS**  trans-93.631.3177.753.70000112.7F321F321-T323 PolarHBondContact O-N 3Å
324S57.4Low40.4Very low90 Ų90125.2 Ų125.263%0.62976%0.76SS**  trans-168124.5164.444.70000110.3I322I322-S324 VanDerWaalsContact C-N 3.27Å; I322-S324 WeakPolarHBondContact CG2-O 3.27Å; I322-S324 PolarHBondContact O-N 3.36Å
325F38.3Very low40.1Very low199 Ų199125.6 Ų125.687%0.87376%0.76SS**  trans-112.990.2147.3-91-79.8000105.9I322I322-F325 HydrophobicContact CB-CE2 4.38Å; I322-F325 HydrophobicContact CD1-CE2 3.98Å; I322-F325 HydrophobicContact CD1-CZ 4.19Å; I322-F325 HydrophobicContact CG2-CD2 3.86Å; I322-F325 HydrophobicContact CG2-CE2 3.71Å; I322-F325 HydrophobicContact CG2-CZ 4.42Å
326G35.5Very low40.1Very low74 Ų74128.3 Ų128.376%0.76376%0.764SS**  trans-137.787.9172.500000106.4
327G32.2Very low39Very low83 Ų83130.4 Ų130.486%0.85676%0.763SS**  trans-110.496.7164.100000106.6
328S36.6Very low38.6Very low100 Ų100129.7 Ų129.770%0.69977%0.769SS**PPolyproline II helixtrans-76.7129.3154.444.90000107
329D34.3Very low38.1Very low169 Ų169127.2 Ų127.290%0.90478%0.777SS**PPolyproline II helixtrans-71.9128.2155.2-86.2-34.6000107.5
330D39.4Very low37.3Very low155 Ų155124.3 Ų124.383%0.82978%0.775SS**PPolyproline II helixtrans-80124161.4-76.3-54.2000108.2
331E37Very low37.5Very low181 Ų181122.8 Ų122.885%0.84677%0.768SS**  trans-116.3146150.9-117.6-63.3163.800107.4
332A34.1Very low36.8Very low88 Ų88123.1 Ų123.173%0.72777%0.771SS**  trans-106.7136.6-152.300000113.3
333A31.2Very low36Very low96 Ų96123 Ų12379%0.79378%0.781SS**  trans-164.8109.8146.200000113.8
334A32.1Very low35.2Very low85 Ų85119.6 Ų119.670%0.70277%0.773SS**  trans45.2128.9136.100000123.2
335T31.6Very low33.9Very low129 Ų129124.1 Ų124.179%0.79178%0.784SS**  trans66.2140.6142.753.20000118.8
336T33.6Very low33.5Very low123 Ų123119 Ų11976%0.75578%0.778SS**  cis-155.1171.76.4-2.70000111.2
337Q32.2Very low33.9Very low169 Ų169121.7 Ų121.779%0.7978%0.782SS**  trans-37.9153.9167.6-54.6164.620.600113.9
338T31.2Very low33.9Very low126 Ų126123.1 Ų123.177%0.77378%0.779SS**  -163.9162.562.546.60000115.8
339A30.1Very low33.6Very low101 Ų101122.7 Ų122.784%0.83578%0.776SS**  trans71.2120.9149.400000121.5
340A29.5Very low33.6Very low90 Ų90122.2 Ų122.274%0.74477%0.772SS**  trans-97.6-149.5160.700000108.1
341P49.2Very low33.5Very low92 Ų92123.7 Ų123.760%0.59777%0.774SS**  cis-139.4-165.9-11.817.811.3000114.8
342H33.2Very low33.2Very low175 Ų175124.3 Ų124.381%0.8178%0.777SS**  trans81.8141.8163.1-45.7-60.8000116.6
343S31Very low33.1Very low123 Ų123125.8 Ų125.886%0.8678%0.782SS**  cis-156.6171.7-8.952.10000106.7
344G29.6Very low33.1Very low63 Ų63126 Ų12665%0.64978%0.784SS**  cis175.6146.7500000109.6
345H30Very low33Very low186 Ų186124.7 Ų124.786%0.86178%0.779SS**  trans35.7107.5161.9-69.7-76.3000123.2
346A30Very low33.1Very low90 Ų90127.2 Ų127.274%0.74478%0.781SS**  52.6141105.300000122
347P43.3Very low33.1Very low131 Ų131125.6 Ų125.685%0.85178%0.775SS**  trans-107.9166.9-17041.7-35.2000115.9
348S31.9Very low33.2Very low114 Ų114129.8 Ų129.880%0.79778%0.783SS**  trans-146.5155.2161.670.70000108.8
349S30.7Very low33.1Very low91 Ų91127.1 Ų127.164%0.63678%0.781SS**  cis-163.4149.5-21.455.80000109.1
350L34.3Very low33.3Very low158 Ų158127 Ų12783%0.82777%0.774SS**  trans65.3151.2161.3-57.3158.9000115.7
351Q38.6Very low33.6Very low187 Ų187134 Ų13487%0.87478%0.781SS**  cis-133.3154.418.2-67171.5-17.300112.3
352H29.4Very low32.7Very low193 Ų193140.8 Ų140.889%0.89480%0.795SS**  trans-96.6142.1168.2-76.7-82.7000111.5
353S31.7Very low32.6Very low120 Ų120143.2 Ų143.284%0.83980%0.797SS**  trans-144.5142.2143.3630000110.3
354A32.3Very low32.6Very low101 Ų101148.1 Ų148.184%0.83580%0.797SS**  trans-71.7158.5-172.400000112.7
355G30.3Very low32.6Very low57 Ų57151.1 Ų151.159%0.58881%0.808SS**  cis170177.8-200000112
356H32.8Very low32.6Very low181 Ų181147.6 Ų147.684%0.83880%0.804SS**  trans61.2137.8171.5-46.2-70.8000117.9
357S33.2Very low32.7Very low90 Ų90148.6 Ų148.663%0.62981%0.806SS**  cis-168.8137.9-19.2-102.30000106.9
358R34.9Very low32Very low256 Ų256148.4 Ų148.497%0.96681%0.808SS**  trans69.9130.1173.5-52.1162.2-179.4164.10.3113.8
359G30.3Very low31.9Very low71 Ų71146.7 Ų146.773%0.73280%0.796SS**  cis145.4110.46.400000110.1
360S34.2Very low31.7Very low99 Ų99147.8 Ų147.869%0.69280%0.803SS**  trans31.9114.8142.6-146.50000118.1
361R34Very low31.4Very low235 Ų235145 Ų14589%0.88780%0.797SS**  53.3114.566.4-60.8-177178.2173.8-0.2114.6
362R30.7Very low31Very low236 Ų236141.2 Ų141.289%0.89179%0.791SS**  trans162.8119.9140.7-90.3164.5-174.9-119.31.4105.8
363R31.8Very low30.9Very low226 Ų226137.7 Ų137.785%0.85379%0.788SS**  51.2135.163.9-70.1-165.7173.5-152.3-1.7111.9
364R31.8Very low30.7Very low225 Ų225137 Ų13785%0.84978%0.784SS**  cis168.5122.5-15.6-120.4-168.6-178.1-162.42.1101.5
365S28.2Very low30.5Very low126 Ų126137.7 Ų137.788%0.88178%0.782SS**  trans-177145.5153.134.40000112.7
366S31Very low30.2Very low113 Ų113142.6 Ų142.679%0.7979%0.79SS**  trans-83.4178.2164.750.80000109.6
367S31.5Very low30Very low110 Ų110139.2 Ų139.277%0.76979%0.786SS**  cis-168.8150.424.240.90000111.4
368S27.6Very low29.7Very low128 Ų128140 Ų14090%0.89579%0.792SS**  trans-167.8156138.655.40000110.6
369S31Very low29.4Very low78 Ų78133.3 Ų133.355%0.54578%0.784SS.*  trans-97.6153-170.643.40000113.3
370S27Very low29.4Very low114 Ų114141 Ų14180%0.79779%0.791SS**  trans179.3139.6135.336.50000113.6
371S28.2Very low29Very low99 Ų99142 Ų14269%0.69280%0.798SS**  trans-12.7133.4163.955.90000121.5
372S28.5Very low28.8Very low107 Ų107135.8 Ų135.875%0.74879%0.79SS**  trans36122.3135.665.30000120.8
373S28.9Very low28.6Very low119 Ų119129.8 Ų129.883%0.83279%0.785SS**  -174.4162.1113.8480000112.8
374S27Very low28.3Very low107 Ų107128.4 Ų128.475%0.74878%0.78SS**  trans-55.1146.3177.566.60000114.6
375S27.2Very low28Very low115 Ų115122.7 Ų122.780%0.80477%0.774SS**  179.3142111.248.90000113.9
376H25.4Very low28Very low160 Ų160121.8 Ų121.874%0.74177%0.768SS**  trans-66134.9165.1-82.237000111.1
377S28.3Very low27.8Very low109 Ų109121.9 Ų121.976%0.76277%0.768SS**  -164.897122.7430000114.7S379S377-S379 PolarHBondContact O-N 2.62Å; S377-S379 VanDerWaalsContact O-N 3.11Å
378S27.3Very low27.6Very low107 Ų107128.1 Ų128.175%0.74878%0.775SS**  trans-68.7103.6161.3420000110.9R380S378-R380 PolarHBondContact O-N 2.92Å
379S27.8Very low27.6Very low116 Ų116126.7 Ų126.781%0.81177%0.765SS**  trans-73.173.2171.146.20000111.4S377 S381S377-S379 PolarHBondContact O-N 2.62Å; S377-S379 VanDerWaalsContact O-N 3.11Å; S379-S381 PolarHBondContact O-N 3.14Å
380R29.4Very low27.5Very low232 Ų232134 Ų13488%0.87578%0.781SS**  trans-56.2118.4162.8-73.2176.3167.5166.1-2.2110.6S378S378-R380 PolarHBondContact O-N 2.92Å
381S25.8Very low27.5Very low121 Ų121140.9 Ų140.985%0.84679%0.79SS**  trans-105.792.4157.943.10000110S379S379-S381 PolarHBondContact O-N 3.14Å
382S30.6Very low27.4Very low103 Ų103139.6 Ų139.672%0.7279%0.792SS**  trans-103.2117.2166.163.30000110.3
383S25.5Very low27.4Very low110 Ų110145.7 Ų145.777%0.76980%0.798SS**  trans-129.1112165.232.80000106.2
384R26.3Very low27.4Very low197 Ų197152 Ų15274%0.74380%0.804SS**  66.2135.258.4-71.7-164.6171.5159.37.1115
385S26.3Very low27.6Very low105 Ų105150.8 Ų150.873%0.73481%0.808SS**  trans81.7106.8166.5-460000113.2
386S27.6Very low27.6Very low108 Ų108153.7 Ų153.776%0.75581%0.809SS**  50.2117.583.474.90000112.3
387S27.3Very low27.8Very low114 Ų114149 Ų14980%0.79780%0.804SS**  -171.2179.357.850.10000114.1
388R26.5Very low27.8Very low241 Ų241154.3 Ų154.391%0.90981%0.807SS**  trans-29145.9168.5-51.9161.7171165.1-6.3113
389S27.9Very low28Very low99 Ų99159.3 Ų159.369%0.69281%0.81SS**  cis-176.416940.574.80000114.6
390R27.9Very low28.1Very low231 Ų231159 Ų15987%0.87280%0.799SS**  trans71.5110.6150.4-69.7173-178-165.91.4122.2
391R26.9Very low28.1Very low259 Ų259152.7 Ų152.798%0.97779%0.79SS**  trans59.2125.9132.2-75.5-173.9169.3-167.4-2121.9
392G27.8Very low28.3Very low72 Ų72157.4 Ų157.474%0.74279%0.789SS**  trans153.274.3161.400000111.1
393R27.9Very low28.2Very low235 Ų235162.4 Ų162.489%0.88779%0.792SS**  65.5129.795.4-83.3-162-177.5-94.99115.4
394R29.8Very low28.3Very low251 Ų251162.3 Ų162.395%0.94779%0.792SS**  trans74.8147.9173.4-50.7176.7-172.3-151.71.2113.4
395G29.9Very low28.3Very low81 Ų81163.6 Ų163.684%0.83580%0.797SS**  cis-128.2176.26.500000115.3
396H27.1Very low28.4Very low176 Ų176164.1 Ų164.182%0.81580%0.801SS**  trans-120.8140.4-172.2-147.8-32.5000109.1
397G30.4Very low28.3Very low62 Ų62166.4 Ų166.464%0.63980%0.799SS**  trans168124.1169.900000109.4
398R28.2Very low28.4Very low221 Ų221165.9 Ų165.983%0.83480%0.795SS**  cis50.411732.1-53-169.4-175.6-82.86.8109.4
399R31.2Very low28.5Very low212 Ų212165.4 Ų165.480%0.879%0.794SS**  cis-153.2-179.636-113.9173.6176.9172.51.2107.5
400D30.1Very low28.4Very low110 Ų110165.2 Ų165.259%0.58879%0.793SS**  cis-147.9156.419.6-127.4-36.4000113.6
401S29.1Very low28.4Very low98 Ų98164.4 Ų164.469%0.68579%0.789SS**  trans-106.2130.7165.751.40000109.5
402R29.9Very low28.5Very low220 Ų220162.6 Ų162.683%0.8378%0.782SS**  trans-176.9144.6158.6-88.4131.1-155.4-1197.2105.8
403R28.2Very low28.4Very low208 Ų208169.7 Ų169.779%0.78579%0.787SS**  cis-150.7138.715-158.6175.5-159.5-169.45.7111
404S28Very low28.5Very low109 Ų109164.8 Ų164.876%0.76279%0.789SS**  trans-71.3146169.5-29.40000111.3
405R26.5Very low28.5Very low223 Ų223163.4 Ų163.484%0.84278%0.784SS**  trans-164.5110.3141.4-112.4165.8-173.5176-0.6112
406S28Very low28.5Very low117 Ų117164.9 Ų164.982%0.81878%0.781SS**  trans-81.9136.91669.50000109.9
407H25.6Very low28.6Very low155 Ų155168.3 Ų168.372%0.71879%0.787SS**  trans-151.2125.1144.6-154.369.3000112
408S29.6Very low28.6Very low104 Ų104170.3 Ų170.373%0.72779%0.791SS**  trans-78.5139.3171.6-33.60000109.6
409R28Very low28.8Very low230 Ų230171 Ų17187%0.86879%0.794SS**  trans-159.6140.8146.9-110.4154.3-166.6-164.52.7112.4
410S27.4Very low28.7Very low96 Ų96164.7 Ų164.767%0.67179%0.794SS**  trans-100.9154.3-17450.80000111.3
411R28Very low28.7Very low213 Ų213171.2 Ų171.280%0.80481%0.81SS**  156.9153.1118.5-89.1165.9173.5179.4-2.3114.8
412R27.8Very low28.9Very low221 Ų221171.2 Ų171.283%0.83482%0.817SS**  trans71.7119.7162.6-66155.9-171.2-95.12.7114.9
413R26.7Very low28.9Very low221 Ų221164.9 Ų164.983%0.83482%0.819SS**  75.2101.457.2-83.2-166.8172.3-179.20.6113.3
414S29.7Very low28.9Very low132 Ų132158.4 Ų158.492%0.92382%0.818SS**  trans-132.4146.6148.3-63.90000108.6
415R28.8Very low29.1Very low223 Ų223161.6 Ų161.684%0.84283%0.826SS**  trans-127.9135.4-172.5-95.8176.4161.2167.9-8.7110.6
416S29.7Very low29.3Very low112 Ų112154.3 Ų154.378%0.78382%0.821SS**  trans-159.1118.4155.519.90000105.7
417R29.4Very low29.5Very low248 Ų248152.4 Ų152.494%0.93682%0.819SS**  53.6125.369.9-65.5-176173179.1-2.3110.5
418S29.9Very low29.8Very low104 Ų104149.8 Ų149.873%0.72782%0.818SS**  cis-160.8157.68.149.50000108.9
419R33.8Very low29.8Very low236 Ų236157.3 Ų157.389%0.89183%0.831SS**  179.3139.488.4-79.6169.1176.5174.8-3.2106.7
420G28.3Very low30Very low78 Ų78156 Ų15680%0.80483%0.826SS**  66.4128.7101.100000113.4
421R31.4Very low30.2Very low247 Ų247160.2 Ų160.293%0.93283%0.827SS**  cis-154.1136.820.7-90.3176.2164.4-141.7-0.4107.9
422A31.6Very low30.3Very low99 Ų99159.2 Ų159.282%0.81882%0.823SS**  97.314288.600000114.6
423G30.9Very low30.4Very low86 Ų86156 Ų15689%0.88782%0.818SS**  trans81.4122.417400000115.2
424G28.3Very low30.5Very low73 Ų73157.5 Ų157.575%0.75382%0.823SS**  cis120.970.4-0.400000113.4
425N32.4Very low30.5Very low176 Ų176156.7 Ų156.794%0.94181%0.813SS**  trans-175.1144.2150.2-103.5-0000109.2
426G30.8Very low30.5Very low70 Ų70157.7 Ų157.772%0.72282%0.817SS**  cis15081.5-1.600000112
427G30.8Very low30.4Very low77 Ų77157.2 Ų157.279%0.79481%0.814SS**  trans74.7169.6172.800000116.1
428S32.1Very low30.3Very low99 Ų99157 Ų15769%0.69281%0.813SS**  cis-165.4115.6-14.4176.70000109.4
429W30.8Very low30.2Very low263 Ų263156.1 Ų156.1100%0.99681%0.807SS**  trans-146.698.3157.7-75.5102.7000109.7
430R31.8Very low29.9Very low203 Ų203151.1 Ų151.177%0.76680%0.798SS**  trans-107.9133.3169.8-95.3-167.4174.7-151-0.2109.7
431R31.1Very low30Very low184 Ų184152.4 Ų152.469%0.69479%0.786SS**  trans69.5155.8152.9-64.7177.4176.8-153.4-5.6114.8
432R31.3Very low29.9Very low191 Ų191150.2 Ų150.272%0.72178%0.778SS**  cis-148.8151.78.1-140.9163.9-175.9178.7-1.9112.4
433E28.7Very low30Very low155 Ų155150.9 Ų150.972%0.72477%0.768SS**  trans-25.9149.8159.4-58.6145.2-142.100117.9
434R30Very low30Very low251 Ų251157.4 Ų157.495%0.94777%0.766SS**  -154.5147.3113.5-119.2173.4-178.8172.80113.9
435T29.1Very low30Very low115 Ų115157.6 Ų157.671%0.70677%0.768SS**  trans-102.2152.4-171.846.20000113
436R29Very low30Very low245 Ų245160.3 Ų160.393%0.92577%0.765SS**  trans177.1111.9152.1-97.7157.1-178.2-174.2-0.7106
437S27.7Very low29.9Very low102 Ų102164.7 Ų164.771%0.71377%0.772SS**  cis81.8131.139.9-51.80000114.3
438R27.4Very low30Very low242 Ų242171.7 Ų171.791%0.91377%0.774SS**  trans86.5141.1171.1-61.6177.8177.3172.3-2.5116.8
439S27.6Very low29.9Very low87 Ų87173.5 Ų173.561%0.60878%0.777SS**  cis167.9166.5-26.746.90000108
440N27.7Very low29.8Very low131 Ų131170.9 Ų170.970%0.70177%0.766SS**  trans77.7145.4170.5-5585.4000115.2
441D30.7Very low29.6Very low104 Ų104166.7 Ų166.756%0.55676%0.759SS**  cis-156.8-178.5-13.3-128.3-34.7000115.9
442R29.1Very low29.4Very low201 Ų201167.6 Ų167.676%0.75876%0.762SS**  trans-15.9162150.9-68.1155.7-173159.7-3.9119.4
443D32.1Very low29.4Very low114 Ų114163.6 Ų163.661%0.6176%0.756SS**  cis-155.7178.530.7-134.4-47.6000116.4
444R30.7Very low29.3Very low222 Ų222166.3 Ų166.384%0.83876%0.759SS**  trans-43.6160.8-174.6-65.2148178.3115.5-18121.2
445G28.4Very low29.2Very low78 Ų78162.2 Ų162.280%0.80475%0.751SS**  trans-175.5113.1150.400000113.8
446R32.5Very low29.2Very low232 Ų232166 Ų16688%0.87575%0.752SS**  trans-93.8152.6166.9-82.4-179.6173.3168.6-1.5108.9
447D30.6Very low29.2Very low163 Ų163161 Ų16187%0.87274%0.744SS**  -173.5174.2110.7-94.9-31.4000114.2
448R31.6Very low29.3Very low223 Ų223165.9 Ų165.984%0.84275%0.747SS**  trans-101.7177.7-168.1-78.5178.1168.5154.3-6.1113.1
449D30Very low29.4Very low138 Ų138164.1 Ų164.174%0.73874%0.74SS**  trans92.7148158.3-64.1-26.9000116.3
450R29.1Very low29.5Very low208 Ų208169.8 Ų169.879%0.78575%0.748SS**  cis-176.2152.1-29.3-150.2177.8-169.5153-2103.8
451D27.1Very low29.5Very low114 Ų114174 Ų17461%0.6176%0.755SS**  trans70.2124156.3-72.6-40.2000122.8
452R28Very low29.3Very low203 Ų203173.9 Ų173.977%0.76676%0.763SS**  100136.6126.1-83.6174.2-159.6168.17122.3
453D29.5Very low29.3Very low108 Ų108168.7 Ų168.758%0.57876%0.763SS**  trans65.6144.2146.9-67.5-37.3000118.5
454R28.1Very low29.1Very low212 Ų212173.9 Ų173.980%0.877%0.774SS**  cis-177.6162.7-22-119.4176.6179.6118-12.8102.9
455E27.4Very low29Very low164 Ų164174 Ų17477%0.76677%0.774SS**  trans-11140.2167.1-55.2-178.4173.300119.3
456R28.2Very low28.9Very low196 Ų196181.8 Ų181.874%0.7478%0.779SS**  175.3145.691.7-179.1164.2-80.2-161.3-5.2113.7
457D30.6Very low28.7Very low140 Ų140177.3 Ų177.375%0.74978%0.778SS**  trans-49.3151.1170.4-70.7-73.3000115.2
458R29.4Very low28.6Very low204 Ų204179.4 Ų179.477%0.7777%0.774SS**  -178.6113.6109.5-92.3149.9-168.4-167.23.5116.4
459R29.7Very low28.3Very low205 Ų205174.4 Ų174.477%0.77477%0.773SS**  57.7119.5122.5-64.9-176178.5-167.1-0122.5
460R28.7Very low28.3Very low205 Ų205177.8 Ų177.877%0.77478%0.775SS**  91.3120.3123.4-79.9-177.1176.3-177.3-1121.7
461Y27.3Very low28.3Very low220 Ų220173.6 Ų173.686%0.86378%0.778SS**  trans63.7136.4139.9-90.5-122.4000117.9
462S28.3Very low28.6Very low101 Ų101170.7 Ų170.771%0.70678%0.775SS**  cis-168.3134.70.250.20000112.9
463A27.9Very low29Very low92 Ų92167.1 Ų167.176%0.7678%0.781SS**  trans-163.3123145.500000113.7
464R27.6Very low29.1Very low223 Ų223173.1 Ų173.184%0.84280%0.796SS**  trans59.8119.7142.6-68.4-178.5172.1-154.4-3.1122
465R28.4Very low29.3Very low226 Ų226172.6 Ų172.685%0.85380%0.802SS**  trans81101.7138.7-68.4-178.3179.5-99.8-0.9119.3
466R27.5Very low29.3Very low241 Ų241168.4 Ų168.491%0.90980%0.803SS**  trans-47.5135.2143.6-71.6170159.4151.9-6.2112.3
467T27Very low29.4Very low138 Ų138165.4 Ų165.485%0.84781%0.812SS**  -132.1116.711642.90000105.5
468R30.1Very low29.4Very low206 Ų206162.5 Ų162.578%0.77782%0.815SS**  67.884.771.8-161.4-178.2-159.8175.64.1111.8
469S24.9Very low29.6Very low119 Ų119161.6 Ų161.683%0.83283%0.825SS**  trans-67.5125.6151.2380000109.2
470R29.9Very low29.5Very low208 Ų208163.2 Ų163.279%0.78583%0.831SS**  trans-151138.8152-119-173.3-176.7-171.1-2.5108.6
471S29.8Very low29.7Very low121 Ų121163.2 Ų163.285%0.84684%0.84SS**  trans-48.1146.8164.636.20000112.3
472G32.9Very low29.8Very low52 Ų52156.1 Ų156.154%0.53683%0.833SS.*  trans-170.6119.2169.300000110.1R474G472-R474 VanDerWaalsContact O-CB 3.3Å; G472-R474 WeakPolarHBondContact O-CB 3.47Å; G472-R474 VanDerWaalsContact O-CD 3.26Å; G472-R474 WeakPolarHBondContact O-CD 3.33Å; G472-R474 WeakPolarHBondContact O-CG 3.34Å
473S35.5Very low29.8Very low128 Ų128156.1 Ų156.190%0.89584%0.84SS**  trans-72.4117.9162.333.40000108.1
474R31.2Very low29.7Very low234 Ų234164 Ų16488%0.88385%0.85SS**  cis81.279.311.2-72.8-177.6173-165.1-4.2118.6G472G472-R474 VanDerWaalsContact O-CB 3.3Å; G472-R474 WeakPolarHBondContact O-CB 3.47Å; G472-R474 VanDerWaalsContact O-CD 3.26Å; G472-R474 WeakPolarHBondContact O-CD 3.33Å; G472-R474 WeakPolarHBondContact O-CG 3.34Å
475Q33.4Very low29.8Very low202 Ų202159.2 Ų159.294%0.94485%0.85SS**  -85.2133.3111.7-58.4172.70.600105.7
476G27.9Very low29.9Very low76 Ų76151.4 Ų151.478%0.78484%0.84SS**  105.9127.464.300000107.5
477S30.6Very low30Very low132 Ų132152.5 Ų152.592%0.92385%0.845SS**  cis-153.7175.3-363.40000109.5
478G29.5Very low30Very low79 Ų79148.7 Ų148.781%0.81483%0.832SS**  trans153.4121.9169.900000116.4
479L33.9Very low30Very low186 Ų186147 Ų14797%0.97483%0.833SS**  trans-91.5169.4-172.7-79.8161.4000115
480R27.3Very low30.3Very low238 Ų238151.9 Ų151.990%0.89883%0.833SS**  trans-105.9120.2167-126.5-170.9-177.9-120.13.3109.8
481Q33.3Very low30.4Very low206 Ų206153.6 Ų153.696%0.96384%0.84SS**  trans163139.6154.8-94.6-174.548.900105.5
482G28.9Very low30.5Very low71 Ų71158.3 Ų158.373%0.73284%0.839SS**  cis179.3162.6-7.900000109.5
483A28.6Very low30.3Very low101 Ų101162.3 Ų162.384%0.83585%0.848SS**  trans68.1161.6167.800000120.9
484W25Very low30.1Very low256 Ų256161.1 Ų161.197%0.9784%0.839SS**  trans-47.5163.8-171.3-53.2-46.8000117.8
485S31.1Very low30Very low123 Ų123157.2 Ų157.286%0.8684%0.836SS**  cis-153.7165.69.854.20000107.7
486G29.1Very low29.9Very low62 Ų62152.4 Ų152.464%0.63983%0.825SS**  cis157.1145.311.800000108
487R29.3Very low29.9Very low265 Ų265154.8 Ų154.8100%182%0.815SS**  trans68.3144.2-176.2-48.2170.4-179.6-107.4-0.4114.5
488G28.7Very low29.9Very low57 Ų57153.1 Ų153.159%0.58880%0.804SS**  cis169.5156.1-8.800000111.7
489H30Very low29.9Very low172 Ų172154.4 Ų154.480%0.79681%0.807SS**  trans77110.8171.1-53-86.6000117.1
490R30.7Very low29.7Very low220 Ų220151.2 Ų151.283%0.8380%0.8SS**  69.3109.486.2-68.2-178.2-168.9-162.24.7112.7
491R32.8Very low30.1Very low245 Ų245145.4 Ų145.493%0.92579%0.793SS**  48.8132.197.3-65.3-166-175.5-144.34.3113.1
492R30.4Very low29.9Very low220 Ų220141 Ų14183%0.8379%0.785SS**  cis-170.6161.539.4-171.9-174.3174.9-113.411.4110.1
493D28.9Very low30.6Very low136 Ų136142.8 Ų142.873%0.72778%0.784SS**  trans-66.4155.1164.8-52.3-82.1000114.5
494S31Very low30.6Very low102 Ų102143.3 Ų143.371%0.71378%0.781SS**  trans134.8137.2131-68.50000114.1
495D29.4Very low30.9Very low152 Ų152142.6 Ų142.681%0.81378%0.779SS**  trans-56.5146-179.9-52.8-95000114.4
496S31.3Very low31.3Very low102 Ų102141.9 Ų141.971%0.71377%0.771SS**  149.7122.5101.960.10000115.4
497H28.9Very low31.9Very low125 Ų125143.6 Ų143.658%0.57977%0.771SS**  trans71.4104.2146.5-69.8110.4000123.7K568H497-K568 VanDerWaalsContact CB-NZ 3.29Å; H497-K568 WeakPolarHBondContact CD2-CE 3.5Å; H497-K568 PolarHBondContact CD2-NZ 3.16Å; H497-K568 WeakPolarHBondContact ND1-CE 3.33Å; H497-K568 WeakPolarHBondContact NE2-CD 3.32Å
498S29.8Very low31.8Very low97 Ų97139 Ų13968%0.67876%0.76SS**  60.2117.6124.266.90000122.1
499A29.5Very low31.8Very low106 Ų106141.6 Ų141.688%0.87677%0.769SS**  -178.2163.2110.300000113.7
500S30.3Very low32.2Very low119 Ų119139.2 Ų139.283%0.83277%0.769SS**  trans-63.4165.6-169-480000118.4
501P35.5Very low32Very low117 Ų117134 Ų13476%0.7677%0.766SS**  trans-96.9163.8179.938.9-35.9000114.6
502S29.8Very low32.3Very low114 Ų114128.4 Ų128.480%0.79776%0.762SS**  trans161.5168.1140.2-68.60000110.5
503P42.5Very low32.2Very low108 Ų108124 Ų12470%0.70176%0.759SS**  -135.3160-76.937.6-19.6000115.8
504S29.6Very low32.3Very low112 Ų112126.2 Ų126.278%0.78377%0.765SS**  trans55.4151.3153.458.60000120.7
505R30.6Very low32.2Very low241 Ų241133 Ų13391%0.90978%0.775SS**  cis-158.4173.6-12-123.6-171.6144.2-145.8-0.5106.9
506P39.9Very low32.1Very low107 Ų107129.6 Ų129.670%0.69578%0.776SS**  trans-95.2-170.8-171.344.8-41000112.4
507P40.5Very low32.1Very low98 Ų98129 Ų12964%0.63678%0.777SS**  cis-146.2-179.911.346.8-27.7000119.6
508H27.7Very low32.2Very low170 Ų170131.2 Ų131.279%0.78779%0.787SS**  trans63.7115.1155.8-60.4-52.8000123.2
509S28.3Very low32.9Very low110 Ų110131.6 Ų131.677%0.76979%0.787SS**  25.1158.5124.6-47.30000122.7
510P38Very low32.7Very low122 Ų122131 Ų13179%0.79278%0.783SS**  cis-132-177.97.738.9-20.2000116
511S27.6Very low32.6Very low110 Ų110129.5 Ų129.577%0.76978%0.777SS**  trans-65.1159.6167.6-42.10000112.4
512P38Very low32.4Very low129 Ų129130.7 Ų130.784%0.83878%0.778SS**  -145-17794.238.3-21.9000116.3
513T28.9Very low32.4Very low126 Ų126131 Ų13177%0.77378%0.775SS**  trans-86.5144.6-168.250.70000115.8
514H31.3Very low31.9Very low184 Ų184132.4 Ų132.485%0.85278%0.775SS**  trans-162.5132.1143.4-102.6-86.7000106
515R28.1Very low32.2Very low244 Ų244131.9 Ų131.992%0.92177%0.771SS**  cis65.882.939.8-152.4-172.9-151.5-148.17.1113.7
516G29Very low32.2Very low80 Ų80125.6 Ų125.683%0.82576%0.756SS**  trans179.2141.7169.200000109.6
517A30.1Very low32.2Very low89 Ų89128 Ų12874%0.73676%0.755SS**  trans-126.3167.6174.300000109.1
518Q31.8Very low32Very low172 Ų172130.1 Ų130.180%0.80476%0.761SS**  trans79.7160.3-176.4-46.3-62.5-16.700114
519P43Very low32.3Very low105 Ų105133.1 Ų133.168%0.68277%0.765SS**  -137.7177.5-71.938.5-21.8000114.5
520A26.6Very low32.8Very low94 Ų94135.8 Ų135.878%0.77776%0.763SS**  trans71.4143.8149.700000122
521A28.4Very low32.8Very low87 Ų87136.1 Ų136.172%0.71977%0.765SS**  trans55.8108.3144.400000121.3
522N30Very low33Very low143 Ų143136.8 Ų136.877%0.76576%0.76SS**  50.6134118.9-73.75.8000122
523T29.6Very low33.2Very low121 Ų121136.3 Ų136.374%0.74276%0.755SS**  trans69156.4142.258.50000117.3
524I33.6Very low33.7Very low137 Ų137136.7 Ų136.770%0.70376%0.76SS**  cis-159.6143.3-14.3-110.9161.3000106.3
525S34.3Very low33.7Very low101 Ų101131.5 Ų131.571%0.70676%0.755SS**  trans59.1179.5164.575.20000116
526D31.2Very low33.8Very low108 Ų108123 Ų12358%0.57874%0.744SS**  cis-148.1173.40.7-145.7-7.9000112.2
527K39.7Very low34.2Very low157 Ų157128 Ų12868%0.68374%0.743SS**  trans-25.2149.7173-45.8123.5-170.1158.30117.3
528L36.8Very low34.6Very low144 Ų144130.2 Ų130.275%0.75474%0.738SS**  -170.5144.399.9-128.562.4000115.6
529R33.1Very low34.9Very low232 Ų232128.9 Ų128.988%0.87574%0.742SS**  trans56.7125.4148-84.3170178.5-162.2-3.5122.6
530K39.1Very low34.9Very low166 Ų166127.8 Ų127.872%0.72275%0.749SS**  trans-68.9172.2157.1-56.6166.6175.9178.70111.2
531P38.5Very low35.3Very low130 Ų130128.4 Ų128.484%0.84475%0.754SS**  -124.5172.7110.236.8-33.4000113.7
532D31.9Very low35.9Very low123 Ų123128.8 Ų128.866%0.65876%0.758SS**  trans-104.5161.9-154.6-66.2-71.8000116.1
533T41.9Very low36.9Very low120 Ų120131.2 Ų131.274%0.73676%0.761SS**  trans4149.9156.24.20000121.9
534P39.3Very low38Very low134 Ų134131.3 Ų131.387%0.8776%0.764SS**  -125.9159.689.238.2-33.7000112.8
535G31.8Very low39.3Very low74 Ų74134.6 Ų134.676%0.76377%0.773SS**  cis147.785.9200000111.1
536G29.6Very low40.8Very low66 Ų66134.9 Ų134.968%0.6877%0.767SS**  trans155.6112.6175.500000110.8
537K39.2Very low43Very low186 Ų186132.9 Ų132.981%0.80976%0.758SS**  69.4121.467.1-75.1-159.9166.4-140.70112.6
538E37.9Very low44.7Very low135 Ų135130.6 Ų130.663%0.63176%0.76SS**  cis-152172.20.7-54.6-160.1151.900113.2
539T38.3Very low46.4Very low143 Ų143130.3 Ų130.388%0.87775%0.754SS**  trans65.8146.5160.663.30000119.4
540G42.6Very low48.7Very low82 Ų82123.7 Ų123.785%0.84573%0.733SS**  trans-118.1160.5-167.900000114.5
541A33.8Very low50.5Low107 Ų107124.4 Ų124.488%0.88473%0.731SS**  trans-144.3144.5172.600000113.1
542A41.5Very low52.5Low95 Ų95123.8 Ų123.879%0.78572%0.721SS**  trans-17.2134.8175.600000120.2
543K51.3Low55Low194 Ų194124.4 Ų124.484%0.84372%0.717SS**  trans-64.3132.2154-65.1175.3-178.5172.90109.1K545K543-K545 PolarHBondContact O-N 3.36Å
544P52.9Low56.9Low123 Ų123122.7 Ų122.780%0.79970%0.703SS**  trans-66.9126-177.325.6-33.4000111.7L546P544-L546 PolarHBondContact O-N 2.87Å
545K60.4Low59Low206 Ų206125.7 Ų125.790%0.89670%0.697SS**  trans-78.2106.6175-64.7174.6-178.7174.80108.7K543 T547K543-K545 PolarHBondContact O-N 3.36Å; K545-T547 PolarHBondContact O-N 3.3Å
546L66.4Low61.5Low108 Ų108127.8 Ų127.857%0.56569%0.689SS**  trans-55.9138.1172.5-81.3113.7000111.1P544 E550P544-L546 PolarHBondContact O-N 2.87Å; L546-E550 HydrophobicContact CD2-CB 4.02Å
547T77.7Confident64.1Low66 Ų66130.1 Ų130.141%0.40568%0.682SS.*  trans-67.1155.3-178.764.60000111.8K545 Q549 E550 R551K545-T547 PolarHBondContact O-N 3.3Å; T547-Q549 VanDerWaalsContact C-N 3.25Å; T547-Q549 PolarHBondContact O-N 2.91Å; T547-E550 WeakPolarHBondContact CB-OE2 3.38Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.44Å; T547-E550 PolarHBondContact N-OE2 3Å; T547-E550 PolarHBondContact O-N 2.89Å; T547-E550 WeakPolarHBondContact OG1-CB 3.34Å; T547-E550 WeakPolarHBondContact OG1-CG 3.46Å; T547-E550 PolarHBondContact OG1-N 3.38Å; T547-E550 PolarHBondContact OG1-OE2 2.89Å; T547-R551 PolarHBondContact O-N 3.26Å
548P75Confident66.3Low109 Ų109128 Ų12871%0.70867%0.672SS**Hα-helixtrans-56.9-37.6176.1-26.635.9000113.3R551 L552P548-R551 WeakPolarHBondContact O-CB 3.33Å; P548-R551 PolarHBondContact O-N 2.8Å; P548-L552 PolarHBondContact O-N 2.76Å
549Q72Confident68.4Low138 Ų138124.2 Ų124.265%0.64567%0.665SS**Hα-helixtrans-65.8-38.7177.7-64.4-175.3-2.900112.6T547 L552 K553T547-Q549 VanDerWaalsContact C-N 3.25Å; T547-Q549 PolarHBondContact O-N 2.91Å; Q549-L552 PolarHBondContact O-N 3.01Å; Q549-K553 WeakPolarHBondContact O-CG 3.43Å; Q549-K553 PolarHBondContact O-N 3.43Å
550E81.1Confident70.6Confident93 Ų93122.2 Ų122.244%0.43565%0.648SS.*Hα-helixtrans-67.8-38.6174.3-70.8165134.500111.8L546 T547 L552 K553 L554L546-E550 HydrophobicContact CD2-CB 4.02Å; T547-E550 WeakPolarHBondContact CB-OE2 3.38Å; T547-E550 WeakPolarHBondContact CG2-OE2 3.44Å; T547-E550 PolarHBondContact N-OE2 3Å; T547-E550 PolarHBondContact O-N 2.89Å; T547-E550 WeakPolarHBondContact OG1-CB 3.34Å; T547-E550 WeakPolarHBondContact OG1-CG 3.46Å; T547-E550 PolarHBondContact OG1-N 3.38Å; T547-E550 PolarHBondContact OG1-OE2 2.89Å; E550-L552 VanDerWaalsContact C-N 3.31Å; E550-L552 PolarHBondContact O-N 3.49Å; E550-K553 PolarHBondContact O-N 2.99Å; E550-L554 VanDerWaalsContact O-CB 3.32Å; E550-L554 WeakPolarHBondContact O-CB 3.39Å; E550-L554 PolarHBondContact O-N 3.41Å
551R77.3Confident72.7Confident180 Ų180122.3 Ų122.368%0.67963%0.629SS**Hα-helixtrans-60.1-40.7172.5-72.6179.1166.7-163.2-4.5111.7T547 P548 R555T547-R551 PolarHBondContact O-N 3.26Å; P548-R551 WeakPolarHBondContact O-CB 3.33Å; P548-R551 PolarHBondContact O-N 2.8Å; R551-R555 WeakPolarHBondContact O-CB 3.34Å; R551-R555 PolarHBondContact O-N 3.38Å
552L81.2Confident75.4Confident118 Ų118125.3 Ų125.362%0.61862%0.622SS**Hα-helixtrans-67-48.7176.1-176.861.5000111.9P548 Q549 E550 L554 R555 M556P548-L552 PolarHBondContact O-N 2.76Å; Q549-L552 PolarHBondContact O-N 3.01Å; E550-L552 VanDerWaalsContact C-N 3.31Å; E550-L552 PolarHBondContact O-N 3.49Å; L552-L554 VanDerWaalsContact C-N 3.26Å; L552-L554 PolarHBondContact O-N 3.11Å; L552-R555 PolarHBondContact O-N 3.26Å; L552-M556 PolarHBondContact O-N 2.84Å
553K83Confident77.2Confident136 Ų136126.5 Ų126.559%0.59161%0.611SS**Hα-helixtrans-55.9-41.5175-74.3172.6-178.9170.40111.5Q549 E550 M556 Q557Q549-K553 WeakPolarHBondContact O-CG 3.43Å; Q549-K553 PolarHBondContact O-N 3.43Å; E550-K553 PolarHBondContact O-N 2.99Å; K553-M556 PolarHBondContact O-N 3.27Å; K553-Q557 VanDerWaalsContact O-CB 3.29Å; K553-Q557 WeakPolarHBondContact O-CB 3.18Å; K553-Q557 PolarHBondContact O-N 3.04Å
554L82.9Confident78.7Confident84 Ų84120.8 Ų120.844%0.4460%0.596SS.*Hα-helixtrans-67.1-37.2176-163.974.9000112.8E550 L552 K558E550-L554 VanDerWaalsContact O-CB 3.32Å; E550-L554 WeakPolarHBondContact O-CB 3.39Å; E550-L554 PolarHBondContact O-N 3.41Å; L552-L554 VanDerWaalsContact C-N 3.26Å; L552-L554 PolarHBondContact O-N 3.11Å; L554-K558 WeakPolarHBondContact O-CB 3.41Å; L554-K558 VanDerWaalsContact O-CG 3.28Å; L554-K558 WeakPolarHBondContact O-CG 3.38Å; L554-K558 PolarHBondContact O-N 2.79Å
555R84Confident80.4Confident197 Ų197121.7 Ų121.774%0.74359%0.587SS**Hα-helixtrans-67.1-44175.1-170.1175.4-178.7171.3-0.9111.3R551 L552 K558 A559R551-R555 WeakPolarHBondContact O-CB 3.34Å; R551-R555 PolarHBondContact O-N 3.38Å; L552-R555 PolarHBondContact O-N 3.26Å; R555-K558 PolarHBondContact O-N 3.16Å; R555-A559 PolarHBondContact O-N 3.01Å
556M83.5Confident81.6Confident118 Ų118114.4 Ų114.458%0.58157%0.565SS**Hα-helixtrans-64.4-44.9176.2-171.1175.775.400111.8L552 K553 K558 A559 L560L552-M556 PolarHBondContact O-N 2.84Å; K553-M556 PolarHBondContact O-N 3.27Å; M556-K558 VanDerWaalsContact C-N 3.3Å; M556-K558 PolarHBondContact O-N 3.02Å; M556-A559 WeakPolarHBondContact O-CB 3.4Å; M556-A559 PolarHBondContact O-N 3.22Å; M556-A559 VanDerWaalsContact O-N 3.09Å; M556-L560 PolarHBondContact O-N 3.34Å
557Q83.8Confident82.4Confident115 Ų115113.7 Ų113.754%0.53756%0.562SS.*Hα-helixtrans-64.6-33.6176.1-164-176.232.200112.1K553 N561K553-Q557 VanDerWaalsContact O-CB 3.29Å; K553-Q557 WeakPolarHBondContact O-CB 3.18Å; K553-Q557 PolarHBondContact O-N 3.04Å; Q557-N561 WeakPolarHBondContact O-CB 3.45Å; Q557-N561 PolarHBondContact O-N 3.5Å; Q557-N561 PolarHBondContact O-ND2 3.29Å
558K86.4Confident83Confident140 Ų140113.5 Ų113.561%0.60956%0.556SS**Hα-helixtrans-66.8-37.2170.8-79.2175.6-180-179.30112.4L554 R555 M556 K562L554-K558 WeakPolarHBondContact O-CB 3.41Å; L554-K558 VanDerWaalsContact O-CG 3.28Å; L554-K558 WeakPolarHBondContact O-CG 3.38Å; L554-K558 PolarHBondContact O-N 2.79Å; R555-K558 PolarHBondContact O-N 3.16Å; M556-K558 VanDerWaalsContact C-N 3.3Å; M556-K558 PolarHBondContact O-N 3.02Å; K558-K562 WeakPolarHBondContact O-CB 3.14Å; K558-K562 PolarHBondContact O-N 3.49Å
559A82.4Confident83.6Confident57 Ų57115.3 Ų115.347%0.47155%0.553SS.*Hα-helixtrans-64.7-50.717500000111.7R555 M556 N561 K562 Q563R555-A559 PolarHBondContact O-N 3.01Å; M556-A559 WeakPolarHBondContact O-CB 3.4Å; M556-A559 PolarHBondContact O-N 3.22Å; M556-A559 VanDerWaalsContact O-N 3.09Å; A559-N561 VanDerWaalsContact C-N 3.33Å; A559-N561 PolarHBondContact O-N 2.84Å; A559-K562 WeakPolarHBondContact O-CA 3.43Å; A559-K562 WeakPolarHBondContact O-CB 3.05Å; A559-K562 PolarHBondContact O-N 2.76Å; A559-Q563 PolarHBondContact O-N 3.34Å
560L84.1Confident84.3Confident101 Ų101111.6 Ų111.653%0.52955%0.546SS..Hα-helixtrans-57.8-43.3176.4-70.5169000112.4M556 K562 Q563 S564M556-L560 PolarHBondContact O-N 3.34Å; L560-K562 VanDerWaalsContact C-N 3.31Å; L560-K562 PolarHBondContact O-N 3.13Å; L560-Q563 PolarHBondContact O-N 3.1Å; L560-S564 WeakPolarHBondContact O-CB 3.45Å; L560-S564 PolarHBondContact O-N 2.96Å
561N86.6Confident84.4Confident84 Ų84109.7 Ų109.745%0.44955%0.546SS..Hα-helixtrans-68.7-25.6175.4-79.5-55.9000113.6Q557 A559 K565Q557-N561 WeakPolarHBondContact O-CB 3.45Å; Q557-N561 PolarHBondContact O-N 3.5Å; Q557-N561 PolarHBondContact O-ND2 3.29Å; A559-N561 VanDerWaalsContact C-N 3.33Å; A559-N561 PolarHBondContact O-N 2.84Å; N561-K565 WeakPolarHBondContact O-CB 3.18Å; N561-K565 WeakPolarHBondContact O-CD 3.21Å; N561-K565 VanDerWaalsContact O-CG 3.22Å; N561-K565 WeakPolarHBondContact O-CG 3.46Å; N561-K565 PolarHBondContact O-N 3.38Å
562K90.6Very high84.6Confident169 Ų169105.9 Ų105.974%0.73554%0.535SS*.Hα-helixtrans-73.4-42.5172.9-173.6-178.4176.7-172.80110.3K558 A559 L560 K565 A566K558-K562 WeakPolarHBondContact O-CB 3.14Å; K558-K562 PolarHBondContact O-N 3.49Å; A559-K562 WeakPolarHBondContact O-CA 3.43Å; A559-K562 WeakPolarHBondContact O-CB 3.05Å; A559-K562 PolarHBondContact O-N 2.76Å; L560-K562 VanDerWaalsContact C-N 3.31Å; L560-K562 PolarHBondContact O-N 3.13Å; K562-K565 PolarHBondContact O-N 2.9Å; K562-A566 PolarHBondContact O-N 3.35Å
563Q79.1Confident85Confident120 Ų120103.5 Ų103.556%0.56153%0.526SS*.Hα-helixtrans-64.6-52.3177.7-168.2170.14.100111.7A559 L560 K565 A566 D567A559-Q563 PolarHBondContact O-N 3.34Å; L560-Q563 PolarHBondContact O-N 3.1Å; Q563-K565 PolarHBondContact O-N 3.09Å; Q563-K565 VanDerWaalsContact O-N 3.11Å; Q563-A566 CarbonylContact O-C 3.59Å; Q563-A566 WeakPolarHBondContact O-CA 3.34Å; Q563-A566 VanDerWaalsContact O-CB 3.31Å; Q563-A566 WeakPolarHBondContact O-CB 3.43Å; Q563-A566 PolarHBondContact O-N 2.9Å; Q563-D567 VanDerWaalsContact O-CG 3.29Å; Q563-D567 PolarHBondContact O-N 2.83Å
564S82.3Confident85.3Confident74 Ų74103.5 Ų103.552%0.51753%0.526SS..Hα-helixtrans-55.7-34.7175.9176.80000113.4L560 K568L560-S564 WeakPolarHBondContact O-CB 3.45Å; L560-S564 PolarHBondContact O-N 2.96Å; S564-K568 WeakPolarHBondContact O-CB 3.44Å; S564-K568 PolarHBondContact O-N 3.11Å; S564-K568 VanDerWaalsContact O-N 3.11Å
565K89.4Confident85.3Confident142 Ų142104.5 Ų104.562%0.61753%0.53SS*.Hα-helixtrans-72.6-31.4173.4-75.2175.4-176.5-179.50113.2N561 K562 Q563 K569N561-K565 WeakPolarHBondContact O-CB 3.18Å; N561-K565 WeakPolarHBondContact O-CD 3.21Å; N561-K565 VanDerWaalsContact O-CG 3.22Å; N561-K565 WeakPolarHBondContact O-CG 3.46Å; N561-K565 PolarHBondContact O-N 3.38Å; K562-K565 PolarHBondContact O-N 2.9Å; Q563-K565 PolarHBondContact O-N 3.09Å; Q563-K565 VanDerWaalsContact O-N 3.11Å; K565-K569 WeakPolarHBondContact O-CG 3.44Å; K565-K569 PolarHBondContact O-N 3.4Å
566A85.1Confident85.4Confident53 Ų53101.1 Ų101.144%0.43852%0.523SS..Hα-helixtrans-69.4-47.6172.900000110.7K562 Q563 K568 K569 A570K562-A566 PolarHBondContact O-N 3.35Å; Q563-A566 CarbonylContact O-C 3.59Å; Q563-A566 WeakPolarHBondContact O-CA 3.34Å; Q563-A566 VanDerWaalsContact O-CB 3.31Å; Q563-A566 WeakPolarHBondContact O-CB 3.43Å; Q563-A566 PolarHBondContact O-N 2.9Å; A566-K568 VanDerWaalsContact C-N 3.34Å; A566-K568 PolarHBondContact O-N 3.41Å; A566-K569 CarbonylContact O-C 3.59Å; A566-K569 WeakPolarHBondContact O-CA 3.48Å; A566-K569 WeakPolarHBondContact O-CB 2.94Å; A566-K569 PolarHBondContact O-N 2.96Å; A566-A570 PolarHBondContact O-N 2.93Å
567D82.4Confident85.5Confident94 Ų94100.9 Ų100.950%0.50352%0.52SS..Hα-helixtrans-60.4-43.4179.8-55.5-30.6000111.6Q563 K569 A570 A571Q563-D567 VanDerWaalsContact O-CG 3.29Å; Q563-D567 PolarHBondContact O-N 2.83Å; D567-K569 VanDerWaalsContact C-N 3.32Å; D567-K569 PolarHBondContact O-N 3.15Å; D567-A570 PolarHBondContact O-N 3.05Å; D567-A571 WeakPolarHBondContact O-CB 3.46Å; D567-A571 PolarHBondContact O-N 3.42Å
568K90.9Very high85.5Confident62 Ų62101.4 Ų101.427%0.2752%0.523SS..Hα-helixtrans-61.3-38.4174.4-174.2-176.1176.7-177.60112.4H497 S564 A566 Q572H497-K568 VanDerWaalsContact CB-NZ 3.29Å; H497-K568 WeakPolarHBondContact CD2-CE 3.5Å; H497-K568 PolarHBondContact CD2-NZ 3.16Å; H497-K568 WeakPolarHBondContact ND1-CE 3.33Å; H497-K568 WeakPolarHBondContact NE2-CD 3.32Å; S564-K568 WeakPolarHBondContact O-CB 3.44Å; S564-K568 PolarHBondContact O-N 3.11Å; S564-K568 VanDerWaalsContact O-N 3.11Å; A566-K568 VanDerWaalsContact C-N 3.34Å; A566-K568 PolarHBondContact O-N 3.41Å; K568-Q572 WeakPolarHBondContact O-CG 3.4Å; K568-Q572 PolarHBondContact O-N 3.4Å; K568-Q572 VanDerWaalsContact O-N 3.14Å
569K88.1Confident85.5Confident146 Ų14699.4 Ų99.464%0.63552%0.516SS*.Hα-helixtrans-68.8-43.9174.4-77.8180175.3-169.20111.3K565 A566 D567 A571 Q572 V573K565-K569 WeakPolarHBondContact O-CG 3.44Å; K565-K569 PolarHBondContact O-N 3.4Å; A566-K569 CarbonylContact O-C 3.59Å; A566-K569 WeakPolarHBondContact O-CA 3.48Å; A566-K569 WeakPolarHBondContact O-CB 2.94Å; A566-K569 PolarHBondContact O-N 2.96Å; D567-K569 VanDerWaalsContact C-N 3.32Å; D567-K569 PolarHBondContact O-N 3.15Å; K569-A571 VanDerWaalsContact C-N 3.33Å; K569-A571 PolarHBondContact O-N 2.97Å; K569-Q572 PolarHBondContact O-N 2.83Å; K569-Q572 VanDerWaalsContact O-N 3.16Å; K569-V573 WeakPolarHBondContact O-CG2 3.48Å; K569-V573 PolarHBondContact O-N 3.34Å
570A85.3Confident85.7Confident61 Ų61101.8 Ų101.850%0.50452%0.517SS..Hα-helixtrans-60.3-42.2177.100000111.8A566 D567 V573 K574A566-A570 PolarHBondContact O-N 2.93Å; D567-A570 PolarHBondContact O-N 3.05Å; A570-V573 PolarHBondContact O-N 2.99Å; A570-K574 WeakPolarHBondContact O-CB 3.31Å; A570-K574 PolarHBondContact O-N 3.33Å
571A84.5Confident85.9Confident52 Ų52103.4 Ų103.443%0.4352%0.52SS..Hα-helixtrans-61.2-43.3173.400000112.4D567 K569 K574 I575D567-A571 WeakPolarHBondContact O-CB 3.46Å; D567-A571 PolarHBondContact O-N 3.42Å; K569-A571 VanDerWaalsContact C-N 3.33Å; K569-A571 PolarHBondContact O-N 2.97Å; A571-K574 PolarHBondContact O-N 2.93Å; A571-I575 WeakPolarHBondContact O-CG1 3.32Å; A571-I575 PolarHBondContact O-N 3.42Å; A571-I575 VanDerWaalsContact O-N 3.07Å
572Q80.7Confident85.7Confident100 Ų100106.9 Ų106.947%0.46753%0.527SS..Hα-helixtrans-64.4-42.4175.5-75.2179.9-18.600112.6K568 K569 I575 Q576K568-Q572 WeakPolarHBondContact O-CG 3.4Å; K568-Q572 PolarHBondContact O-N 3.4Å; K568-Q572 VanDerWaalsContact O-N 3.14Å; K569-Q572 PolarHBondContact O-N 2.83Å; K569-Q572 VanDerWaalsContact O-N 3.16Å; Q572-I575 PolarHBondContact O-N 3.03Å; Q572-Q576 WeakPolarHBondContact O-CG 3.39Å; Q572-Q576 PolarHBondContact O-N 2.99Å
573V90Very high85.4Confident68 Ų68104.4 Ų104.441%0.41252%0.518SS..Hα-helixtrans-62.4-42.2175.1171.10000110.9K569 A570 I575 Q576 Q577K569-V573 WeakPolarHBondContact O-CG2 3.48Å; K569-V573 PolarHBondContact O-N 3.34Å; A570-V573 PolarHBondContact O-N 2.99Å; V573-I575 VanDerWaalsContact C-N 3.32Å; V573-I575 PolarHBondContact O-N 2.95Å; V573-Q576 PolarHBondContact O-N 2.99Å; V573-Q577 HydrophobicContact CG1-CG 4.25Å; V573-Q577 WeakPolarHBondContact O-CB 3.36Å; V573-Q577 WeakPolarHBondContact O-CG 3.42Å; V573-Q577 PolarHBondContact O-N 3.36Å
574K88.6Confident85.8Confident136 Ų136103 Ų10359%0.59151%0.511SS*.Hα-helixtrans-62.2-38.2177-166169.8-174171.20112.2A570 A571 Q578A570-K574 WeakPolarHBondContact O-CB 3.31Å; A570-K574 PolarHBondContact O-N 3.33Å; A571-K574 PolarHBondContact O-N 2.93Å; K574-Q578 WeakPolarHBondContact O-CG 3.37Å; K574-Q578 PolarHBondContact O-N 3.07Å
575I83.4Confident86Confident105 Ų105106.7 Ų106.754%0.53851%0.514SS..Hα-helixtrans-66.1-46.9173.4-67.6164.6000110.8A571 Q572 V573 Q577 Q578 E579A571-I575 WeakPolarHBondContact O-CG1 3.32Å; A571-I575 PolarHBondContact O-N 3.42Å; A571-I575 VanDerWaalsContact O-N 3.07Å; Q572-I575 PolarHBondContact O-N 3.03Å; V573-I575 VanDerWaalsContact C-N 3.32Å; V573-I575 PolarHBondContact O-N 2.95Å; I575-Q577 PolarHBondContact O-N 2.94Å; I575-Q578 PolarHBondContact O-N 2.84Å; I575-E579 PolarHBondContact O-N 3.46Å
576Q85.3Confident85.8Confident127 Ų127104.2 Ų104.259%0.59350%0.504SS*.Hα-helixtrans-62.6-39.4177.9-72.3175.34.500112.3Q572 V573 E579 H580Q572-Q576 WeakPolarHBondContact O-CG 3.39Å; Q572-Q576 PolarHBondContact O-N 2.99Å; V573-Q576 PolarHBondContact O-N 2.99Å; Q576-E579 PolarHBondContact O-N 3.11Å; Q576-H580 WeakPolarHBondContact O-CB 3.3Å; Q576-H580 PolarHBondContact O-N 3.38Å
577Q87.1Confident85.9Confident112 Ų112103.1 Ų103.152%0.52350%0.498SS..Hα-helixtrans-65.1-40.2173.9-74.6177.2-4.400112.3V573 I575 E579 H580 K581V573-Q577 HydrophobicContact CG1-CG 4.25Å; V573-Q577 WeakPolarHBondContact O-CB 3.36Å; V573-Q577 WeakPolarHBondContact O-CG 3.42Å; V573-Q577 PolarHBondContact O-N 3.36Å; I575-Q577 PolarHBondContact O-N 2.94Å; Q577-E579 VanDerWaalsContact C-N 3.32Å; Q577-H580 PolarHBondContact O-N 2.82Å; Q577-K581 WeakPolarHBondContact O-CB 3.41Å; Q577-K581 WeakPolarHBondContact O-CG 3.46Å; Q577-K581 PolarHBondContact O-N 3.43Å
578Q82.9Confident86.1Confident127 Ų127104.7 Ų104.759%0.59350%0.503SS*.Hα-helixtrans-65.1-36.8173.8-76.8-177.7-3.800112.1K574 I575 R582K574-Q578 WeakPolarHBondContact O-CG 3.37Å; K574-Q578 PolarHBondContact O-N 3.07Å; I575-Q578 PolarHBondContact O-N 2.84Å; Q578-R582 WeakPolarHBondContact O-CB 3.31Å; Q578-R582 PolarHBondContact O-N 2.79Å; Q578-R582 VanDerWaalsContact O-N 3.11Å
579E86.3Confident85.6Confident97 Ų97107.6 Ų107.645%0.45352%0.52SS..Hα-helixtrans-69.3-42.1174.4-174.8158.1-145.400111.9I575 Q576 Q577 R582 Q583I575-E579 PolarHBondContact O-N 3.46Å; Q576-E579 PolarHBondContact O-N 3.11Å; Q577-E579 VanDerWaalsContact C-N 3.32Å; E579-R582 CarbonylContact O-C 3.58Å; E579-R582 WeakPolarHBondContact O-CA 3.36Å; E579-R582 WeakPolarHBondContact O-CB 3.36Å; E579-R582 PolarHBondContact O-N 3.47Å; E579-R582 VanDerWaalsContact O-N 3.09Å; E579-Q583 WeakPolarHBondContact O-CG 3.45Å; E579-Q583 PolarHBondContact O-N 3.05Å
580H87.3Confident85.6Confident107 Ų107107.2 Ų107.250%0.49552%0.515SS..Hα-helixtrans-58.9-52.6173.5-166.1-86.2000111.4Q576 Q577 R582 Q583 E584Q576-H580 WeakPolarHBondContact O-CB 3.3Å; Q576-H580 PolarHBondContact O-N 3.38Å; Q577-H580 PolarHBondContact O-N 2.82Å; H580-R582 PolarHBondContact O-N 2.85Å; H580-Q583 CarbonylContact O-C 3.55Å; H580-Q583 WeakPolarHBondContact O-CA 3.45Å; H580-Q583 PolarHBondContact O-N 3Å; H580-E584 IonicContact CE1-OE1 3.64Å; H580-E584 PolarHBondContact CE1-OE1 3.13Å; H580-E584 IonicContact CE1-OE2 2.64Å; H580-E584 IonicContact ND1-OE1 3.22Å; H580-E584 PolarHBondContact ND1-OE1 3Å; H580-E584 IonicContact ND1-OE2 3.85Å; H580-E584 PolarHBondContact ND1-OE2 3.38Å; H580-E584 WeakPolarHBondContact O-CG 3.47Å; H580-E584 PolarHBondContact O-N 3.31Å
581K87.1Confident85.8Confident135 Ų135106.5 Ų106.559%0.58751%0.509SS*.Hα-helixtrans-60.8-17.1174.8-71.6-177.7177-172.10113.9Q577 E584 R585Q577-K581 WeakPolarHBondContact O-CB 3.41Å; Q577-K581 WeakPolarHBondContact O-CG 3.46Å; Q577-K581 PolarHBondContact O-N 3.43Å; K581-E584 WeakPolarHBondContact CA-OE2 3.46Å; K581-R585 WeakPolarHBondContact O-CG 3.49Å; K581-R585 PolarHBondContact O-NE 2.86Å
582R83.9Confident85.6Confident157 Ų157110 Ų11059%0.59252%0.518SS*.Hα-helixtrans-86.7-39.9171.2-179.2-179.3170.1-135.7-8111.3Q578 E579 H580 E586Q578-R582 WeakPolarHBondContact O-CB 3.31Å; Q578-R582 PolarHBondContact O-N 2.79Å; Q578-R582 VanDerWaalsContact O-N 3.11Å; E579-R582 CarbonylContact O-C 3.58Å; E579-R582 WeakPolarHBondContact O-CA 3.36Å; E579-R582 WeakPolarHBondContact O-CB 3.36Å; E579-R582 PolarHBondContact O-N 3.47Å; E579-R582 VanDerWaalsContact O-N 3.09Å; H580-R582 PolarHBondContact O-N 2.85Å; R582-E586 PolarHBondContact O-N 2.97Å
583Q84.7Confident85.7Confident117 Ų117107.9 Ų107.955%0.54752%0.517SS..Hα-helixtrans-67.3-37.6175-69.5-177.224.800112.2E579 H580 E586 G587E579-Q583 WeakPolarHBondContact O-CG 3.45Å; E579-Q583 PolarHBondContact O-N 3.05Å; H580-Q583 CarbonylContact O-C 3.55Å; H580-Q583 WeakPolarHBondContact O-CA 3.45Å; H580-Q583 PolarHBondContact O-N 3Å; Q583-E586 PolarHBondContact O-N 3.09Å; Q583-G587 PolarHBondContact O-N 3.1Å
584E87.1Confident85.3Confident91 Ų91111.9 Ų111.943%0.42553%0.525SS..Hα-helixtrans-59.9-54.3173.5-74169.9130.400111H580 K581 E586 G587 E588H580-E584 IonicContact CE1-OE1 3.64Å; H580-E584 PolarHBondContact CE1-OE1 3.13Å; H580-E584 IonicContact CE1-OE2 2.64Å; H580-E584 IonicContact ND1-OE1 3.22Å; H580-E584 PolarHBondContact ND1-OE1 3Å; H580-E584 IonicContact ND1-OE2 3.85Å; H580-E584 PolarHBondContact ND1-OE2 3.38Å; H580-E584 WeakPolarHBondContact O-CG 3.47Å; H580-E584 PolarHBondContact O-N 3.31Å; K581-E584 WeakPolarHBondContact CA-OE2 3.46Å; E584-E586 VanDerWaalsContact C-N 3.28Å; E584-E586 PolarHBondContact O-N 3.15Å; E584-G587 CarbonylContact O-C 3.42Å; E584-G587 VanDerWaalsContact O-CA 3.3Å; E584-G587 WeakPolarHBondContact O-CA 3.41Å; E584-G587 PolarHBondContact O-N 3.3Å; E584-E588 WeakPolarHBondContact O-CG 3.37Å; E584-E588 PolarHBondContact O-N 3.08Å
585R85.6Confident85.4Confident151 Ų151113.2 Ų113.257%0.5753%0.531SS*.Hα-helixtrans-59-36.2175.6-72.9-177.8-68.9162.6-3.8113K581 L589K581-R585 WeakPolarHBondContact O-CG 3.49Å; K581-R585 PolarHBondContact O-NE 2.86Å; R585-L589 WeakPolarHBondContact O-CB 3.29Å; R585-L589 WeakPolarHBondContact O-CD1 3.22Å; R585-L589 VanDerWaalsContact O-CG 3.25Å; R585-L589 WeakPolarHBondContact O-CG 3.04Å; R585-L589 PolarHBondContact O-N 3.49Å; R585-L589 VanDerWaalsContact O-N 3.08Å
586E84.8Confident85.3Confident90 Ų90113.3 Ų113.342%0.42153%0.531SS..Hα-helixtrans-69.6-36.4172.4-159.7-169.8131.700111.9R582 Q583 E584 R590R582-E586 PolarHBondContact O-N 2.97Å; Q583-E586 PolarHBondContact O-N 3.09Å; E584-E586 VanDerWaalsContact C-N 3.28Å; E584-E586 PolarHBondContact O-N 3.15Å; E586-R590 WeakPolarHBondContact O-CB 3.41Å; E586-R590 PolarHBondContact O-N 2.99Å; E586-R590 IonicContact OE1-CZ 3.58Å; E586-R590 IonicContact OE1-NH2 2.79Å; E586-R590 PolarHBondContact OE1-NH2 2.99Å
587G87.2Confident85Confident30 Ų30115.8 Ų115.831%0.30954%0.535SS..Hα-helixtrans-64.1-43.8175.300000112.6Q583 E584 R590 A591Q583-G587 PolarHBondContact O-N 3.1Å; E584-G587 CarbonylContact O-C 3.42Å; E584-G587 VanDerWaalsContact O-CA 3.3Å; E584-G587 WeakPolarHBondContact O-CA 3.41Å; E584-G587 PolarHBondContact O-N 3.3Å; G587-R590 CarbonylContact O-C 3.47Å; G587-R590 PolarHBondContact O-N 2.91Å; G587-A591 VanDerWaalsContact O-CB 3.29Å; G587-A591 WeakPolarHBondContact O-CB 3.5Å; G587-A591 PolarHBondContact O-N 3.06Å
588E87.9Confident84.9Confident128 Ų128116.3 Ų116.360%0.59854%0.539SS*.Hα-helixtrans-61.7-49.9172.4-72.2170.7174.400111.3E584 R590 A591 M592E584-E588 WeakPolarHBondContact O-CG 3.37Å; E584-E588 PolarHBondContact O-N 3.08Å; E588-R590 PolarHBondContact O-N 3.28Å; E588-A591 CarbonylContact O-C 3.53Å; E588-A591 WeakPolarHBondContact O-CB 3.47Å; E588-A591 PolarHBondContact O-N 2.89Å; E588-A591 VanDerWaalsContact O-N 3.08Å; E588-M592 WeakPolarHBondContact O-CB 3.36Å; E588-M592 PolarHBondContact O-N 3.04Å
589L80.6Confident85Confident122 Ų122117.3 Ų117.364%0.63954%0.542SS*.Hα-helixtrans-58-39.1174.3-74.9167.4000111.5R585 A593R585-L589 WeakPolarHBondContact O-CB 3.29Å; R585-L589 WeakPolarHBondContact O-CD1 3.22Å; R585-L589 VanDerWaalsContact O-CG 3.25Å; R585-L589 WeakPolarHBondContact O-CG 3.04Å; R585-L589 PolarHBondContact O-N 3.49Å; R585-L589 VanDerWaalsContact O-N 3.08Å; L589-A593 WeakPolarHBondContact O-CB 3.37Å; L589-A593 PolarHBondContact O-N 3.47Å
590R88.6Confident84.6Confident139 Ų139116.7 Ų116.753%0.52554%0.539SS..Hα-helixtrans-72.9-31.1176.5-166-176-63.3-168.11.2112.3E586 G587 E588 R594E586-R590 WeakPolarHBondContact O-CB 3.41Å; E586-R590 PolarHBondContact O-N 2.99Å; E586-R590 IonicContact OE1-CZ 3.58Å; E586-R590 IonicContact OE1-NH2 2.79Å; E586-R590 PolarHBondContact OE1-NH2 2.99Å; G587-R590 CarbonylContact O-C 3.47Å; G587-R590 PolarHBondContact O-N 2.91Å; E588-R590 PolarHBondContact O-N 3.28Å; R590-R594 WeakPolarHBondContact O-CG 3.38Å; R590-R594 PolarHBondContact O-N 3.28Å; R590-R594 PolarHBondContact O-NE 2.82Å
591A88.2Confident84.3Confident46 Ų46119 Ų11938%0.3854%0.543SS..Hα-helixtrans-72.3-45.3173.400000111G587 E588 A593 R594 K595G587-A591 VanDerWaalsContact O-CB 3.29Å; G587-A591 WeakPolarHBondContact O-CB 3.5Å; G587-A591 PolarHBondContact O-N 3.06Å; E588-A591 CarbonylContact O-C 3.53Å; E588-A591 WeakPolarHBondContact O-CB 3.47Å; E588-A591 PolarHBondContact O-N 2.89Å; E588-A591 VanDerWaalsContact O-N 3.08Å; A591-A593 VanDerWaalsContact C-N 3.34Å; A591-A593 PolarHBondContact O-N 2.88Å; A591-R594 CarbonylContact O-C 3.49Å; A591-R594 WeakPolarHBondContact O-CA 3.47Å; A591-R594 WeakPolarHBondContact O-CB 3.15Å; A591-R594 PolarHBondContact O-N 3.46Å; A591-R594 VanDerWaalsContact O-N 3.1Å; A591-K595 PolarHBondContact O-N 2.94Å
592M80.3Confident84Confident124 Ų124116.7 Ų116.761%0.61154%0.535SS*.Hα-helixtrans-59.5-43.3172.4-174.7-179.5-78.300111E588 R594 K595 I596E588-M592 WeakPolarHBondContact O-CB 3.36Å; E588-M592 PolarHBondContact O-N 3.04Å; M592-R594 VanDerWaalsContact C-N 3.32Å; M592-R594 PolarHBondContact O-N 2.92Å; M592-K595 PolarHBondContact O-N 3.47Å; M592-I596 HydrophobicContact CG-CD1 4.11Å; M592-I596 VanDerWaalsContact O-CG1 3.29Å; M592-I596 WeakPolarHBondContact O-CG1 3.47Å; M592-I596 PolarHBondContact O-N 3.35Å
593A82.9Confident84Confident56 Ų56115.9 Ų115.946%0.46353%0.532SS..Hα-helixtrans-62.1-36.1173.900000113.1L589 A591 R597L589-A593 WeakPolarHBondContact O-CB 3.37Å; L589-A593 PolarHBondContact O-N 3.47Å; A591-A593 VanDerWaalsContact C-N 3.34Å; A591-A593 PolarHBondContact O-N 2.88Å; A593-R597 PolarHBondContact O-N 3.3Å; A593-R597 VanDerWaalsContact O-N 3.11Å
594R82.5Confident83.8Confident153 Ų153116.1 Ų116.158%0.57753%0.527SS*.Hα-helixtrans-68.5-42.8171.9-78.8179.1-74.1-1634.2112R590 A591 M592 I596 R597 M598R590-R594 WeakPolarHBondContact O-CG 3.38Å; R590-R594 PolarHBondContact O-N 3.28Å; R590-R594 PolarHBondContact O-NE 2.82Å; A591-R594 CarbonylContact O-C 3.49Å; A591-R594 WeakPolarHBondContact O-CA 3.47Å; A591-R594 WeakPolarHBondContact O-CB 3.15Å; A591-R594 PolarHBondContact O-N 3.46Å; A591-R594 VanDerWaalsContact O-N 3.1Å; M592-R594 VanDerWaalsContact C-N 3.32Å; M592-R594 PolarHBondContact O-N 2.92Å; R594-I596 PolarHBondContact O-N 3.41Å; R594-R597 PolarHBondContact O-N 3.07Å; R594-M598 WeakPolarHBondContact O-CB 3.38Å; R594-M598 PolarHBondContact O-N 3.41Å
595K90Very high83.4Confident164 Ų164116.3 Ų116.371%0.71353%0.528SS*.Hα-helixtrans-62.7-40.2176.6-166.1172-174.6173.10111.7A591 M592 M598 K599A591-K595 PolarHBondContact O-N 2.94Å; M592-K595 PolarHBondContact O-N 3.47Å; K595-M598 PolarHBondContact O-N 3.44Å; K595-K599 WeakPolarHBondContact O-CB 3.31Å; K595-K599 PolarHBondContact O-N 2.94Å
596I81Confident83.3Confident106 Ų106114.8 Ų114.854%0.54453%0.526SS..Hα-helixtrans-60.2-51.4171.6-69.9164.9000110.3M592 R594 M598 K599 E600M592-I596 HydrophobicContact CG-CD1 4.11Å; M592-I596 VanDerWaalsContact O-CG1 3.29Å; M592-I596 WeakPolarHBondContact O-CG1 3.47Å; M592-I596 PolarHBondContact O-N 3.35Å; R594-I596 PolarHBondContact O-N 3.41Å; I596-M598 VanDerWaalsContact C-N 3.31Å; I596-M598 PolarHBondContact O-N 2.9Å; I596-K599 PolarHBondContact O-N 3.31Å; I596-E600 VanDerWaalsContact O-CB 3.29Å; I596-E600 WeakPolarHBondContact O-CB 3.33Å; I596-E600 PolarHBondContact O-N 3.35Å
597R80.2Confident83Confident179 Ų179115.1 Ų115.168%0.67553%0.527SS*.Hα-helixtrans-62.7-35.9179.1-178.7-177.8-73.5178.2-5.2112.9A593 R594 E600 R601A593-R597 PolarHBondContact O-N 3.3Å; A593-R597 VanDerWaalsContact O-N 3.11Å; R594-R597 PolarHBondContact O-N 3.07Å; R597-E600 PolarHBondContact O-N 2.99Å; R597-R601 PolarHBondContact O-N 3.06Å
598M83.1Confident82.3Confident124 Ų124121.3 Ų121.361%0.61154%0.541SS*.Hα-helixtrans-68.7-48.6177.5-173.8-84.6-17700110.3R594 K595 I596 E600 R601 E602R594-M598 WeakPolarHBondContact O-CB 3.38Å; R594-M598 PolarHBondContact O-N 3.41Å; K595-M598 PolarHBondContact O-N 3.44Å; I596-M598 VanDerWaalsContact C-N 3.31Å; I596-M598 PolarHBondContact O-N 2.9Å; M598-E600 PolarHBondContact O-N 2.64Å; M598-R601 CarbonylContact O-C 3.52Å; M598-R601 WeakPolarHBondContact O-CA 3.4Å; M598-R601 WeakPolarHBondContact O-CB 3.41Å; M598-R601 PolarHBondContact O-N 2.9Å; M598-E602 WeakPolarHBondContact O-CB 3.37Å; M598-E602 PolarHBondContact O-N 3.47Å
599K85.3Confident81.8Confident148 Ų148119.1 Ų119.164%0.64353%0.534SS*.Hα-helixtrans-61.7-30.2173.1-170.5163.9-174.3163.40113.1K595 I596 R603K595-K599 WeakPolarHBondContact O-CB 3.31Å; K595-K599 PolarHBondContact O-N 2.94Å; I596-K599 PolarHBondContact O-N 3.31Å; K599-R603 VanDerWaalsContact O-CB 3.29Å; K599-R603 WeakPolarHBondContact O-CB 3.48Å; K599-R603 PolarHBondContact O-N 3.02Å
600E79.4Confident81.6Confident84 Ų84118.2 Ų118.239%0.39353%0.526SS..Hα-helixtrans-75.1-22.8173.6-156.1-154.4145.700113I596 R597 M598 R604I596-E600 VanDerWaalsContact O-CB 3.29Å; I596-E600 WeakPolarHBondContact O-CB 3.33Å; I596-E600 PolarHBondContact O-N 3.35Å; R597-E600 PolarHBondContact O-N 2.99Å; M598-E600 PolarHBondContact O-N 2.64Å; E600-R604 VanDerWaalsContact CD-NH1 3.27Å; E600-R604 WeakPolarHBondContact O-CG 3.28Å; E600-R604 PolarHBondContact O-NH1 2.87Å; E600-R604 IonicContact OE1-CZ 3.86Å; E600-R604 IonicContact OE1-NH1 2.69Å; E600-R604 PolarHBondContact OE1-NH1 3.4Å; E600-R604 IonicContact OE1-NH2 3.34Å; E600-R604 PolarHBondContact OE1-NH2 3.09Å
601R79.2Confident81Confident154 Ų154119.4 Ų119.458%0.58153%0.531SS*.Hα-helixtrans-80.1-51.2169.5-176.4-170.1-66179-5.5110.1R597 M598 R603 R604 E605R597-R601 PolarHBondContact O-N 3.06Å; M598-R601 CarbonylContact O-C 3.52Å; M598-R601 WeakPolarHBondContact O-CA 3.4Å; M598-R601 WeakPolarHBondContact O-CB 3.41Å; M598-R601 PolarHBondContact O-N 2.9Å; R601-R603 PolarHBondContact O-N 3.39Å; R601-R604 CarbonylContact O-C 3.57Å; R601-R604 WeakPolarHBondContact O-CA 3.08Å; R601-R604 WeakPolarHBondContact O-CB 3.29Å; R601-R604 PolarHBondContact O-N 3.14Å; R601-E605 VanDerWaalsContact CD-OE1 3.28Å; R601-E605 WeakPolarHBondContact CD-OE1 3.4Å; R601-E605 HydrophobicContact CG-CG 4.47Å; R601-E605 VanDerWaalsContact CG-OE1 3.31Å; R601-E605 WeakPolarHBondContact CG-OE1 3.28Å; R601-E605 PolarHBondContact O-N 3.46Å
602E81.3Confident80.2Confident88 Ų88122.7 Ų122.741%0.41154%0.538SS..Hα-helixtrans-51.9-42.3174.9-173.2-162.4167.100111.1M598 R604 E605 K606M598-E602 WeakPolarHBondContact O-CB 3.37Å; M598-E602 PolarHBondContact O-N 3.47Å; E602-R604 VanDerWaalsContact C-N 3.34Å; E602-R604 PolarHBondContact O-N 3.46Å; E602-E605 PolarHBondContact O-N 2.97Å; E602-K606 WeakPolarHBondContact O-CB 3.45Å; E602-K606 PolarHBondContact O-N 2.87Å
603R83.4Confident79.8Confident140 Ų140127.1 Ų127.153%0.52855%0.548SS..Hα-helixtrans-61.7-37.7173.5-164.1-155.478.9102.310.8112.9K599 R601 E607K599-R603 VanDerWaalsContact O-CB 3.29Å; K599-R603 WeakPolarHBondContact O-CB 3.48Å; K599-R603 PolarHBondContact O-N 3.02Å; R601-R603 PolarHBondContact O-N 3.39Å; R603-E607 IonicContact CZ-OE1 3.64Å; R603-E607 IonicContact CZ-OE2 2.94Å; R603-E607 IonicContact NH1-OE1 2.67Å; R603-E607 PolarHBondContact NH1-OE1 3.19Å; R603-E607 IonicContact NH2-OE1 3.74Å; R603-E607 PolarHBondContact NH2-OE1 3.29Å; R603-E607 IonicContact NH2-OE2 3.31Å; R603-E607 PolarHBondContact NH2-OE2 2.85Å; R603-E607 WeakPolarHBondContact O-CB 3.02Å; R603-E607 PolarHBondContact O-N 2.84Å
604R80.2Confident78.8Confident121 Ų121131.3 Ų131.346%0.45756%0.558SS.*Hα-helixtrans-77-27.9177-75.2-176.3-176.392-2.2113E600 R601 E602 R608E600-R604 VanDerWaalsContact CD-NH1 3.27Å; E600-R604 WeakPolarHBondContact O-CG 3.28Å; E600-R604 PolarHBondContact O-NH1 2.87Å; E600-R604 IonicContact OE1-CZ 3.86Å; E600-R604 IonicContact OE1-NH1 2.69Å; E600-R604 PolarHBondContact OE1-NH1 3.4Å; E600-R604 IonicContact OE1-NH2 3.34Å; E600-R604 PolarHBondContact OE1-NH2 3.09Å; R601-R604 CarbonylContact O-C 3.57Å; R601-R604 WeakPolarHBondContact O-CA 3.08Å; R601-R604 WeakPolarHBondContact O-CB 3.29Å; R601-R604 PolarHBondContact O-N 3.14Å; E602-R604 VanDerWaalsContact C-N 3.34Å; E602-R604 PolarHBondContact O-N 3.46Å; R604-R608 VanDerWaalsContact O-CB 3.29Å; R604-R608 WeakPolarHBondContact O-CB 3.49Å; R604-R608 PolarHBondContact O-N 3.21Å; R604-R608 VanDerWaalsContact O-N 3.09Å
605E80.3Confident77.7Confident95 Ų95131.2 Ų131.244%0.44456%0.559SS.*Hα-helixtrans-71.8-49.9171.7-77.2158.6-179.500108.5R601 E602 E607 R608 D609R601-E605 VanDerWaalsContact CD-OE1 3.28Å; R601-E605 WeakPolarHBondContact CD-OE1 3.4Å; R601-E605 HydrophobicContact CG-CG 4.47Å; R601-E605 VanDerWaalsContact CG-OE1 3.31Å; R601-E605 WeakPolarHBondContact CG-OE1 3.28Å; R601-E605 PolarHBondContact O-N 3.46Å; E602-E605 PolarHBondContact O-N 2.97Å; E605-E607 PolarHBondContact O-N 3.5Å; E605-R608 CarbonylContact O-C 3.59Å; E605-R608 WeakPolarHBondContact O-CA 3.32Å; E605-R608 WeakPolarHBondContact O-CB 3.47Å; E605-R608 PolarHBondContact O-N 3.45Å; E605-D609 PolarHBondContact O-N 2.85Å
606K82.6Confident75.9Confident120 Ų120125.2 Ų125.252%0.52254%0.543SS..Hα-helixtrans-54.9-46.7169.6-102.7-179.9173.2171.50114.1E602 R608 D609 E610E602-K606 WeakPolarHBondContact O-CB 3.45Å; E602-K606 PolarHBondContact O-N 2.87Å; K606-R608 PolarHBondContact O-N 2.7Å; K606-D609 PolarHBondContact O-N 2.89Å; K606-E610 WeakPolarHBondContact O-CB 3.43Å; K606-E610 WeakPolarHBondContact O-CG 3.39Å; K606-E610 PolarHBondContact O-N 2.98Å
607E77.9Confident74.5Confident96 Ų96131.1 Ų131.145%0.44956%0.559SS.*Hα-helixtrans-63.7-25.3176.8-174.7176.9-136.800112.1R603 E605 W611R603-E607 IonicContact CZ-OE1 3.64Å; R603-E607 IonicContact CZ-OE2 2.94Å; R603-E607 IonicContact NH1-OE1 2.67Å; R603-E607 PolarHBondContact NH1-OE1 3.19Å; R603-E607 IonicContact NH2-OE1 3.74Å; R603-E607 PolarHBondContact NH2-OE1 3.29Å; R603-E607 IonicContact NH2-OE2 3.31Å; R603-E607 PolarHBondContact NH2-OE2 2.85Å; R603-E607 WeakPolarHBondContact O-CB 3.02Å; R603-E607 PolarHBondContact O-N 2.84Å; E605-E607 PolarHBondContact O-N 3.5Å; E607-W611 VanDerWaalsContact O-CB 3.27Å; E607-W611 WeakPolarHBondContact O-CB 3.37Å; E607-W611 PolarHBondContact O-N 3.31Å
608R73.4Confident72.9Confident160 Ų160131.2 Ų131.260%0.60457%0.567SS**Hα-helixtrans-80.7-48171.7-179-172.3-56-78.2-6.7111.5R604 E605 K606 E610 W611 E612R604-R608 VanDerWaalsContact O-CB 3.29Å; R604-R608 WeakPolarHBondContact O-CB 3.49Å; R604-R608 PolarHBondContact O-N 3.21Å; R604-R608 VanDerWaalsContact O-N 3.09Å; E605-R608 CarbonylContact O-C 3.59Å; E605-R608 WeakPolarHBondContact O-CA 3.32Å; E605-R608 WeakPolarHBondContact O-CB 3.47Å; E605-R608 PolarHBondContact O-N 3.45Å; K606-R608 PolarHBondContact O-N 2.7Å; R608-E610 VanDerWaalsContact C-N 3.32Å; R608-E610 PolarHBondContact O-N 3.39Å; R608-W611 CarbonylContact O-C 3.58Å; R608-W611 WeakPolarHBondContact O-CB 3.42Å; R608-W611 PolarHBondContact O-N 3.49Å; R608-E612 VanDerWaalsContact O-CB 3.26Å; R608-E612 WeakPolarHBondContact O-CB 3.49Å; R608-E612 PolarHBondContact O-N 3.34Å
609D76.4Confident71.1Confident82 Ų82129.9 Ų129.944%0.43957%0.57SS.*Hα-helixtrans-65.9-34.4-179.3-59.4-7.7000111.5E605 K606 R613E605-D609 PolarHBondContact O-N 2.85Å; K606-D609 PolarHBondContact O-N 2.89Å; D609-R613 VanDerWaalsContact O-CB 3.28Å; D609-R613 WeakPolarHBondContact O-CB 3.4Å; D609-R613 VanDerWaalsContact O-CG 3.3Å; D609-R613 WeakPolarHBondContact O-CG 3.29Å; D609-R613 PolarHBondContact O-N 3.33Å
610E76.6Confident69.2Low104 Ų104132.3 Ų132.349%0.48658%0.583SS.*Hα-helixtrans-69.9-41172.4-73.8167.1-16900110.8K606 R608 R613 Q614K606-E610 WeakPolarHBondContact O-CB 3.43Å; K606-E610 WeakPolarHBondContact O-CG 3.39Å; K606-E610 PolarHBondContact O-N 2.98Å; R608-E610 VanDerWaalsContact C-N 3.32Å; R608-E610 PolarHBondContact O-N 3.39Å; E610-R613 PolarHBondContact O-N 3.47Å; E610-Q614 WeakPolarHBondContact O-CB 3.49Å; E610-Q614 WeakPolarHBondContact O-CG 3.18Å; E610-Q614 PolarHBondContact O-N 3.06Å
611W76Confident67.1Low163 Ų163133.2 Ų133.262%0.61760%0.599SS**Hα-helixtrans-66.1-38.2172.8-170.788.5000111.8E607 R608 Q614 Y615E607-W611 VanDerWaalsContact O-CB 3.27Å; E607-W611 WeakPolarHBondContact O-CB 3.37Å; E607-W611 PolarHBondContact O-N 3.31Å; R608-W611 CarbonylContact O-C 3.58Å; R608-W611 WeakPolarHBondContact O-CB 3.42Å; R608-W611 PolarHBondContact O-N 3.49Å; W611-Q614 PolarHBondContact O-N 3.34Å; W611-Y615 AromaticContact CD1-CD2 3.68Å; W611-Y615 HydrophobicContact CD2-CD2 4.35Å; W611-Y615 HydrophobicContact CG-CD2 4.08Å; W611-Y615 AromaticContact NE1-CD2 3.69Å; W611-Y615 WeakPolarHBondContact O-CB 3.36Å; W611-Y615 WeakPolarHBondContact O-CD2 3.3Å; W611-Y615 PolarHBondContact O-N 3.45Å
612E72Confident65.3Low115 Ų115131.8 Ų131.854%0.53761%0.609SS.*Hα-helixtrans-73.9-27.7176.6-166160.5-151.400111.9R608 G616R608-E612 VanDerWaalsContact O-CB 3.26Å; R608-E612 WeakPolarHBondContact O-CB 3.49Å; R608-E612 PolarHBondContact O-N 3.34Å; E612-G616 CarbonylContact O-C 3.5Å; E612-G616 WeakPolarHBondContact O-CA 3.37Å; E612-G616 PolarHBondContact O-N 2.98Å
613R72.2Confident62.9Low217 Ų217133.3 Ų133.382%0.81963%0.63SS**Hα-helixtrans-73.9-39.1167.3-83.1175.2163173.3-4.6113.4D609 E610D609-R613 VanDerWaalsContact O-CB 3.28Å; D609-R613 WeakPolarHBondContact O-CB 3.4Å; D609-R613 VanDerWaalsContact O-CG 3.3Å; D609-R613 WeakPolarHBondContact O-CG 3.29Å; D609-R613 PolarHBondContact O-N 3.33Å; E610-R613 PolarHBondContact O-N 3.47Å
614Q62Low60.7Low144 Ų144132.2 Ų132.267%0.67364%0.641SS**Hα-helixtrans-77.8-36.2-179.5-76-177.7-16.200113.1E610 W611E610-Q614 WeakPolarHBondContact O-CB 3.49Å; E610-Q614 WeakPolarHBondContact O-CG 3.18Å; E610-Q614 PolarHBondContact O-N 3.06Å; W611-Q614 PolarHBondContact O-N 3.34Å
615Y58Low58.6Low152 Ų152131.4 Ų131.460%0.59665%0.654SS**THydrogen-bonded Turntrans-124.4-20.8-172.1-59.2-79.2000114W611 R617W611-Y615 AromaticContact CD1-CD2 3.68Å; W611-Y615 HydrophobicContact CD2-CD2 4.35Å; W611-Y615 HydrophobicContact CG-CD2 4.08Å; W611-Y615 AromaticContact NE1-CD2 3.69Å; W611-Y615 WeakPolarHBondContact O-CB 3.36Å; W611-Y615 WeakPolarHBondContact O-CD2 3.3Å; W611-Y615 PolarHBondContact O-N 3.45Å; Y615-R617 PolarHBondContact O-N 3.16Å
616G54Low56.5Low37 Ų37134.8 Ų134.838%0.38167%0.667SS.*G310 helixtrans-75.1-1.6-179.300000115.1E612 Q618E612-G616 CarbonylContact O-C 3.5Å; E612-G616 WeakPolarHBondContact O-CA 3.37Å; E612-G616 PolarHBondContact O-N 2.98Å; G616-Q618 PolarHBondContact O-N 3.23Å; G616-Q618 VanDerWaalsContact O-N 3.08Å
617R51.4Low54.1Low231 Ų231137.1 Ų137.187%0.87268%0.679SS**G310 helixtrans-74.411.2174.7-141.4-172.4-167.9-75.21.2114.3Y615Y615-R617 PolarHBondContact O-N 3.16Å
618Q45.8Very low51.7Low180 Ų180135.6 Ų135.684%0.84169%0.69SS**G310 helixtrans-136.555.5177.4-72.6-175.3-7.500113.6G616G616-Q618 PolarHBondContact O-N 3.23Å; G616-Q618 VanDerWaalsContact O-N 3.08Å
619S45.9Very low49.7Very low97 Ų97138.7 Ų138.768%0.67870%0.701SS**  trans-172.267.5140.162.20000113
620H45.6Very low47.5Very low198 Ų198140.6 Ų140.692%0.91771%0.708SS**  trans-127.478.8146-93.771.8000107.1
621S35.4Very low45.3Very low103 Ų103144 Ų14472%0.7272%0.723SS**  trans-119.8130.8170.3-58.50000107.2S623S621-S623 PolarHBondContact O-N 2.59Å
622P40.1Very low43Very low124 Ų124140.6 Ų140.681%0.80572%0.724SS**PPolyproline II helixtrans-72130.3-174.6-9.124.6000109.9P624P622-P624 VanDerWaalsContact O-CD 3.29Å; P622-P624 WeakPolarHBondContact O-CD 3.18Å
623S31.4Very low41.1Very low121 Ų121139 Ų13985%0.84673%0.726SS**PPolyproline II helixtrans-74.3117.9168.3-620000109.6S621S621-S623 PolarHBondContact O-N 2.59Å
624P38.3Very low39.1Very low117 Ų117135.6 Ų135.676%0.7672%0.719SS**PPolyproline II helixtrans-82.2138.4177.632.5-31.2000111.3P622P622-P624 VanDerWaalsContact O-CD 3.29Å; P622-P624 WeakPolarHBondContact O-CD 3.18Å
625S34.2Very low37.6Very low103 Ų103137 Ų13772%0.7272%0.723SS**  trans11.1147.6151.875.20000119.9
626K36.8Very low36.3Very low166 Ų166141 Ų14172%0.72274%0.737SS**  cis-176.2153.140.9-147.9165.2179.6-1780111.8
627H31.9Very low35.2Very low169 Ų169143.4 Ų143.478%0.78275%0.748SS**  trans88.3129.6162.7-52.2-67.8000117.9
628G29.1Very low34.1Very low65 Ų65143.9 Ų143.967%0.6775%0.749SS**  cis168.7158.3-8.800000112.8
629R31.2Very low33.3Very low224 Ų224140.3 Ų140.385%0.84574%0.744SS**  trans66.4145.3178.1-61.2-178.1177.2-124.410.4114.8
630E28.6Very low32.6Very low123 Ų123143.5 Ų143.558%0.57575%0.749SS**  cis-165.7149.4-5.8-118163.2-14500109
631H30.3Very low31.9Very low175 Ų175139.3 Ų139.381%0.8174%0.741SS**  trans57.4169.7159-78.3-76.6000116.9
632S27.8Very low31.7Very low91 Ų91144.7 Ų144.764%0.63675%0.746SS**  cis-147.2163.2-30.2-178.20000108
633S32.9Very low31.2Very low83 Ų83143.5 Ų143.558%0.5874%0.741SS**  trans-38.1168.1158.859.40000117.4
634H30.1Very low31.2Very low145 Ų145149.3 Ų149.367%0.67174%0.744SS**  trans103.5110.7168-64.671.6000115.5
635K31.5Very low30.9Very low173 Ų173149 Ų14975%0.75275%0.745SS**  74.5132.578.7-74.8-170.1-1691670114.3
636R30.5Very low30.6Very low237 Ų237156.1 Ų156.189%0.89476%0.756SS**  trans68.1161162.4-69.5178.4173-165.3-1.1116.6
637S30Very low30.4Very low86 Ų86153.1 Ų153.160%0.60176%0.756SS**  cis-179.2156.4-32.460.80000109.6
638R29.4Very low30.3Very low241 Ų241157.2 Ų157.291%0.90977%0.765SS**  trans66.5158.1168.6-68.6172.1159145.8-6.5114.9
639S29.4Very low30.4Very low105 Ų105159.4 Ų159.473%0.73477%0.77SS**  cis-146.8140.62.533.20000107.9
640Q30.3Very low30.3Very low164 Ų164160.9 Ų160.977%0.76678%0.776SS**  65.89459.8-160.4-178.143.100116.3
641S30.1Very low30.6Very low110 Ų110160.5 Ų160.577%0.76979%0.786SS**  trans-153.4111.8151.747.40000106.4
642R31.5Very low30.7Very low216 Ų216164 Ų16482%0.81579%0.793SS**  41.8130.767.7-73.1-174172.2-177.4-1.5112
643S30.3Very low31.1Very low100 Ų100165.1 Ų165.170%0.69980%0.8SS**  cis174.8149.2-5.145.10000107.3
644R30.5Very low31.8Very low242 Ų242167.3 Ų167.391%0.91381%0.812SS**  trans-170.798.3145.8-110.8160.9-176.1176.82.2113.8
645S31.9Very low31.9Very low112 Ų112166.1 Ų166.178%0.78382%0.82SS**  trans-72.9150.2146.244.90000109.3
646R29.5Very low32.1Very low251 Ų251168.2 Ų168.295%0.94783%0.825SS**  trans-135.897170.1-140.7178.1-171175.91.5109.2
647S32.1Very low32.8Very low104 Ų104167.5 Ų167.573%0.72782%0.822SS**  trans-111.8133.9169.9480000108.8
648R29.4Very low33.2Very low255 Ų255176.6 Ų176.696%0.96285%0.845SS**  trans-166.2133.1146.1-113.1167.5-178.6179.2-0.3111.6
649S31.7Very low33.4Very low111 Ų111173.4 Ų173.478%0.77684%0.842SS**  trans-84.1158.1176.339.10000111.6
650R29.6Very low33.6Very low255 Ų255177 Ų17796%0.96285%0.848SS**  trans-158.8137.3147.3-117.2171.3179.1-177.2-2111.4
651S34.5Very low33.8Very low115 Ų115177.7 Ų177.780%0.80485%0.853SS**  trans-98.5147.3177.640.20000110.9
652R31.6Very low34Very low249 Ų249181.7 Ų181.794%0.9486%0.857SS**  trans-160.7158.5152-121.6175.5173.9-166-4111.4
653S36Very low34.1Very low113 Ų113179.6 Ų179.679%0.7986%0.86SS**  trans-100-177-153.1-37.60000112.9
654P47.9Very low34.4Very low129 Ų129184.9 Ų184.984%0.83887%0.871SS**  trans-84.4164.9-161.436.3-37.5000114.5
655S32.1Very low34.7Very low120 Ų120180.8 Ų180.884%0.83987%0.868SS**  trans-122.7130.5161.758.10000111
656Y36.9Very low34.9Very low218 Ų218186.1 Ų186.186%0.85587%0.874SS**  trans-87.6172164.1-133.6-95.2000109
657R43.2Very low35.3Very low221 Ų221180.7 Ų180.783%0.83487%0.868SS**  trans115.1129.8174.6-69.1173.3-172.8-146.11.6111.1
658Y39.3Very low35.6Very low278 Ų278187.6 Ų187.6100%1.0988%0.881SS**  cis-113.80-0.3-115-95.6000110.9

Retrieved 658 of 658 residues in 455.8 ms (Link to these results)

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