A0A087XC09_POEFO Loading...

Storkhead box 1

AlphaFold DB , UniProt , Accession A0A087XC09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,019 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low55.1Low227 Ų227146.8 Ų146.8100%1.11873%0.726SS**  0116.40-55.6-50.9-168.800107.6
2S37Very low56.3Low118 Ų118140.8 Ų140.883%0.82573%0.73SS**  trans-76.7131.9162.841.20000107.8Q4S2-Q4 PolarHBondContact O-N 3.18Å
3H46.5Very low58.3Low177 Ų177132.5 Ų132.582%0.81970%0.695SS**  trans-64.8126.5165.6-74.8-96.2000107.5Q5H3-Q5 PolarHBondContact O-N 2.7Å
4Q43.1Very low60.5Low179 Ų179123.1 Ų123.184%0.83665%0.645SS**  trans-58.5113.6166.6-90.3-177.1-32.500107.6S2 R6S2-Q4 PolarHBondContact O-N 3.18Å; Q4-R6 VanDerWaalsContact C-N 3.32Å; Q4-R6 PolarHBondContact O-N 3.04Å
5Q47.4Very low62.8Low193 Ų193114.9 Ų114.990%0.90260%0.602SS**  trans-61.998.6168-73.2177.4-30.800107.3H3 L7H3-Q5 PolarHBondContact O-N 2.7Å; Q5-L7 PolarHBondContact O-N 3.14Å
6R58.6Low64.7Low221 Ų221107.8 Ų107.883%0.83457%0.565SS**  trans-68102.1173.3-76.6-173.6176.1177.90.1107.4Q4 V8Q4-R6 VanDerWaalsContact C-N 3.32Å; Q4-R6 PolarHBondContact O-N 3.04Å; R6-V8 PolarHBondContact O-N 3.4Å
7L61Low66.6Low168 Ų168101.4 Ų101.488%0.8853%0.532SS*.  trans-63.896.8170.9-170.678.2000108.4Q5 Q9Q5-L7 PolarHBondContact O-N 3.14Å; L7-Q9 PolarHBondContact O-N 2.98Å; L7-Q9 VanDerWaalsContact O-N 3.12Å
8V63.6Low68.1Low55 Ų5597.7 Ų97.733%0.33351%0.514SS..  trans-75.6100.9175.6-175.50000107.7R6 L10 Q68 F77R6-V8 PolarHBondContact O-N 3.4Å; V8-L10 HydrophobicContact CG1-CD2 4.06Å; V8-L10 PolarHBondContact O-N 2.94Å; V8-L10 VanDerWaalsContact O-N 3.1Å; V8-Q68 HydrophobicContact CG1-CG 3.95Å; V8-F77 HydrophobicContact CG1-CD2 4.45Å
9Q68.6Low69.5Low162 Ų16292.9 Ų92.976%0.75749%0.488SS*.  trans-69.4107.7172-172.7174.33.900108.9L7 S11 Q68L7-Q9 PolarHBondContact O-N 2.98Å; L7-Q9 VanDerWaalsContact O-N 3.12Å; Q9-S11 PolarHBondContact O-N 2.97Å; Q9-Q68 PolarHBondContact O-NE2 2.97Å
10L72.7Confident70.6Confident69 Ų6988.5 Ų88.536%0.36147%0.467SS..  trans-69.1128.9173.6-58.3-175.6000109.3V8 F77 L111V8-L10 HydrophobicContact CG1-CD2 4.06Å; V8-L10 PolarHBondContact O-N 2.94Å; V8-L10 VanDerWaalsContact O-N 3.1Å; L10-F77 HydrophobicContact CD2-CD2 3.98Å; L10-F77 HydrophobicContact CD2-CE1 4.45Å; L10-F77 HydrophobicContact CD2-CE2 3.92Å; L10-F77 HydrophobicContact CD2-CG 4.26Å; L10-F77 HydrophobicContact CD2-CZ 4.15Å; L10-L111 HydrophobicContact CD1-CD1 4.31Å; L10-L111 HydrophobicContact CD1-CD2 4.48Å; L10-L111 HydrophobicContact CD2-CD1 4.07Å
11S69.8Low71.5Confident46 Ų4687.6 Ų87.632%0.32247%0.466SS..  trans-105151.3176.6-173.80000109.6Q9 A13 S14Q9-S11 PolarHBondContact O-N 2.97Å; S11-A13 PolarHBondContact O-N 3.32Å; S11-A13 PolarHBondContact OG-N 3.49Å; S11-S14 VanDerWaalsContact O-CB 3.25Å; S11-S14 WeakPolarHBondContact O-CB 3.39Å; S11-S14 PolarHBondContact O-N 2.84Å; S11-S14 PolarHBondContact O-OG 2.74Å
12G69.9Low73.6Confident75 Ų7579 Ų7977%0.77343%0.425SS*.THydrogen-bonded Turntrans-63.4-5.2165.500000113.7
13A82.4Confident75.2Confident33 Ų3379.4 Ų79.427%0.27341%0.413SS..THydrogen-bonded Turntrans-9724167.800000113S11 Q79 G80 L85S11-A13 PolarHBondContact O-N 3.32Å; S11-A13 PolarHBondContact OG-N 3.49Å; A13-Q79 WeakPolarHBondContact O-CG 3.45Å; A13-G80 PolarHBondContact O-N 3.04Å; A13-L85 VanDerWaalsContact O-CD1 3.26Å; A13-L85 WeakPolarHBondContact O-CD1 3.38Å
14S89.4Confident75.8Confident0 Ų077.7 Ų77.70%041%0.406CS..EExtended strand (participates in β ladder)trans-121.1137178.4-60.30000112S11 I78S11-S14 VanDerWaalsContact O-CB 3.25Å; S11-S14 WeakPolarHBondContact O-CB 3.39Å; S11-S14 PolarHBondContact O-N 2.84Å; S11-S14 PolarHBondContact O-OG 2.74Å; S14-I78 CarbonylContact C-O 3.56Å; S14-I78 WeakPolarHBondContact CA-O 3.28Å
15L94.2Very high76.3Confident0 Ų071.3 Ų71.30%038%0.381CS..EExtended strand (participates in β ladder)trans-112.7134.7177.9-171.276.6000108.9I78 L85 L88 R89 V108 G109 D110L15-I78 PolarHBondContact N-O 2.88Å; L15-I78 PolarHBondContact O-N 3.26Å; L15-L85 HydrophobicContact CB-CD1 4.34Å; L15-L85 HydrophobicContact CB-CD2 3.95Å; L15-L85 HydrophobicContact CD2-CD2 4.43Å; L15-L88 HydrophobicContact CD2-CB 3.79Å; L15-L88 HydrophobicContact CD2-CD2 4.01Å; L15-R89 HydrophobicContact CD1-CG 4.25Å; L15-V108 HydrophobicContact CD1-CG1 3.96Å; L15-V108 HydrophobicContact CD2-CG1 3.7Å; L15-V108 HydrophobicContact CG-CG1 3.85Å; L15-G109 WeakPolarHBondContact CD1-O 3.4Å; L15-D110 WeakPolarHBondContact CD1-OD1 3.38Å
16A94.4Very high76.5Confident1 Ų165.3 Ų65.31%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-93.9138.2172.200000111V75 L76 F77 V108 G109 L111 M116A16-V75 HydrophobicContact CB-CG1 4.09Å; A16-L76 WeakPolarHBondContact CA-O 3.47Å; A16-F77 HydrophobicContact CB-CD1 4.06Å; A16-F77 HydrophobicContact CB-CE1 4.07Å; A16-V108 CarbonylContact O-C 3.57Å; A16-V108 WeakPolarHBondContact O-CA 3.45Å; A16-G109 PolarHBondContact N-O 2.85Å; A16-G109 PolarHBondContact O-N 2.97Å; A16-L111 HydrophobicContact CB-CD1 4.24Å; A16-L111 HydrophobicContact CB-CD2 3.88Å; A16-L111 HydrophobicContact CB-CG 4.08Å; A16-M116 HydrophobicContact CB-CE 4.02Å; A16-M116 HydrophobicContact CB-CG 4.27Å; A16-M116 HydrophobicContact CB-SD 3.91Å
17V95.6Very high76.1Confident0 Ų064 Ų640%036%0.355CS..EExtended strand (participates in β ladder)trans-123.1115.9171.4-177.20000107.3F19 L76 I78 I105 V108V17-F19 HydrophobicContact CB-CZ 4.34Å; V17-F19 HydrophobicContact CG1-CD1 4.2Å; V17-F19 HydrophobicContact CG1-CE1 3.56Å; V17-F19 HydrophobicContact CG1-CE2 4.28Å; V17-F19 HydrophobicContact CG1-CZ 3.62Å; V17-L76 HydrophobicContact CB-CB 4.4Å; V17-L76 PolarHBondContact N-O 3.05Å; V17-L76 PolarHBondContact O-N 3.11Å; V17-I78 HydrophobicContact CG2-CD1 3.75Å; V17-I78 HydrophobicContact CG2-CG1 4.38Å; V17-I105 HydrophobicContact CG1-CG1 4.13Å; V17-I105 HydrophobicContact CG1-CG2 3.87Å; V17-V108 HydrophobicContact CG1-CG2 4.26Å; V17-V108 HydrophobicContact CG2-CG1 4.49Å; V17-V108 HydrophobicContact CG2-CG2 4.27Å
18V94.6Very high75.5Confident35 Ų3559.9 Ų59.921%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-96.8122.6179.4-178.20000108.3V75 K106 A107 M116V18-V75 HydrophobicContact CG2-CG1 4.13Å; V18-V75 HydrophobicContact CG2-CG2 4.14Å; V18-K106 HydrophobicContact CG1-CB 4.45Å; V18-K106 PolarHBondContact O-N 2.67Å; V18-A107 HydrophobicContact CB-CB 4.25Å; V18-A107 HydrophobicContact CG2-CB 4.4Å; V18-A107 PolarHBondContact N-O 3.46Å; V18-A107 PolarHBondContact O-N 2.74Å; V18-M116 HydrophobicContact CG2-CE 3.85Å; V18-M116 HydrophobicContact CG2-SD 3.85Å
19F94.5Very high74.7Confident6 Ų661.3 Ų61.33%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-100.9156.7174-54.1-69.8000111.7V17 I41 F45 W70 L74 L76 P100 F103 I104 I105V17-F19 HydrophobicContact CB-CZ 4.34Å; V17-F19 HydrophobicContact CG1-CD1 4.2Å; V17-F19 HydrophobicContact CG1-CE1 3.56Å; V17-F19 HydrophobicContact CG1-CE2 4.28Å; V17-F19 HydrophobicContact CG1-CZ 3.62Å; F19-I41 HydrophobicContact CD2-CG2 4.08Å; F19-I41 HydrophobicContact CE2-CG2 3.6Å; F19-I41 HydrophobicContact CZ-CG2 4.2Å; F19-F45 HydrophobicContact CE1-CD2 4.32Å; F19-F45 HydrophobicContact CZ-CD2 4.13Å; F19-W70 HydrophobicContact CD2-CH2 4.08Å; F19-W70 AromaticContact CD2-CZ3 3.81Å; F19-W70 HydrophobicContact CD2-CZ3 3.81Å; F19-W70 AromaticContact CE2-CZ3 3.98Å; F19-W70 HydrophobicContact CE2-CZ3 3.98Å; F19-L74 HydrophobicContact CB-CB 4.27Å; F19-L74 PolarHBondContact N-O 2.98Å; F19-L74 VanDerWaalsContact O-CB 3.3Å; F19-L74 WeakPolarHBondContact O-CB 3.45Å; F19-L76 HydrophobicContact CD2-CB 4.43Å; F19-L76 HydrophobicContact CE2-CB 3.62Å; F19-L76 HydrophobicContact CE2-CD2 3.8Å; F19-L76 HydrophobicContact CE2-CG 4.37Å; F19-L76 HydrophobicContact CZ-CB 4.35Å; F19-L76 HydrophobicContact CZ-CD2 3.83Å; F19-P100 HydrophobicContact CD1-CG 4.19Å; F19-P100 HydrophobicContact CE1-CG 3.55Å; F19-P100 HydrophobicContact CE2-CG 4.31Å; F19-P100 HydrophobicContact CZ-CG 3.61Å; F19-F103 HydrophobicContact CB-CB 4.2Å; F19-F103 HydrophobicContact CB-CD1 3.91Å; F19-F103 HydrophobicContact CB-CG 4.35Å; F19-F103 HydrophobicContact CD1-CB 4.28Å; F19-F103 HydrophobicContact CG-CB 4.34Å; F19-I104 CarbonylContact C-O 3.51Å; F19-I104 VanDerWaalsContact CA-O 3.31Å; F19-I104 WeakPolarHBondContact CA-O 3.35Å; F19-I105 HydrophobicContact CD1-CB 4.46Å; F19-I105 HydrophobicContact CD1-CG1 3.8Å; F19-I105 HydrophobicContact CE1-CG1 3.59Å
20G91.4Very high73.4Confident5 Ų563.6 Ų63.65%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-117.9163.6155.900000109.8F103 I104G20-F103 WeakPolarHBondContact O-CA 3.2Å; G20-I104 PolarHBondContact N-O 2.96Å; G20-I104 PolarHBondContact O-N 3.32Å
21P88.6Confident72Confident70 Ų7062.4 Ų62.446%0.45537%0.369SS..EExtended strand (participates in β ladder)trans-61.8151.5168.630.2-35.5000110.5
22D83.1Confident70.5Confident47 Ų4770.2 Ų70.225%0.25140%0.397SS..  trans-92113170.8177.121000111.1E24 S25 S26 G102 I104D22-E24 PolarHBondContact O-N 2.84Å; D22-E24 PolarHBondContact OD1-N 2.96Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; D22-S25 PolarHBondContact O-N 3.41Å; D22-S25 WeakPolarHBondContact OD2-CB 3.47Å; D22-S25 PolarHBondContact OD2-N 3.14Å; D22-S26 PolarHBondContact O-N 2.94Å; D22-G102 PolarHBondContact N-O 3.16Å; D22-I104 HydrophobicContact CB-CG2 4.27Å
23E69.9Low69.5Low126 Ų12671 Ų7159%0.58939%0.388SS*.THydrogen-bonded Turntrans-74.5-5.7-178.2-59.1-62.3170.200114.2S26 R27E23-S26 WeakPolarHBondContact CA-OG 3.3Å; E23-S26 PolarHBondContact O-OG 2.97Å; E23-R27 PolarHBondContact O-NE 3.2Å; E23-R27 PolarHBondContact O-NH2 2.93Å
24E58.9Low68.3Low141 Ų14174.6 Ų74.666%0.65941%0.412SS*.THydrogen-bonded Turntrans-87.6-49.2167.9-163.8110-117.100109.7D22 S26 R27D22-E24 PolarHBondContact O-N 2.84Å; D22-E24 PolarHBondContact OD1-N 2.96Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; E24-S26 VanDerWaalsContact C-N 3.31Å; E24-S26 PolarHBondContact O-N 3.3Å; E24-R27 PolarHBondContact O-N 3.46Å
25S54.7Low67.2Low44 Ų4478.7 Ų78.731%0.30845%0.446SS..G310 helixtrans-66.4-25.6176.8-1750000114.2D22 R27 A28D22-S25 PolarHBondContact O-N 3.41Å; D22-S25 WeakPolarHBondContact OD2-CB 3.47Å; D22-S25 PolarHBondContact OD2-N 3.14Å; S25-R27 PolarHBondContact O-N 2.96Å; S25-A28 PolarHBondContact O-N 3.07Å
26S49.7Very low66.3Low68 Ų6881.2 Ų81.248%0.47646%0.462SS..G310 helixtrans-63.9-22.8-17963.90000113.5D22 E23 E24D22-S26 PolarHBondContact O-N 2.94Å; E23-S26 WeakPolarHBondContact CA-OG 3.3Å; E23-S26 PolarHBondContact O-OG 2.97Å; E24-S26 VanDerWaalsContact C-N 3.31Å; E24-S26 PolarHBondContact O-N 3.3Å
27R50.3Low65.9Low192 Ų19283.4 Ų83.473%0.72548%0.477SS*.G310 helixtrans-82.6-11.9179.9-50.3-175.1-150.6165.912.5114.1E23 E24 S25E23-R27 PolarHBondContact O-NE 3.2Å; E23-R27 PolarHBondContact O-NH2 2.93Å; E24-R27 PolarHBondContact O-N 3.46Å; S25-R27 PolarHBondContact O-N 2.96Å
28A49.6Very low65.7Low83 Ų8383.7 Ų83.769%0.68648%0.481SS*.G310 helixtrans-94.7-1.3-172.400000114.2S25S25-A28 PolarHBondContact O-N 3.07Å
29V46.6Very low65.5Low84 Ų8486.8 Ų86.851%0.50949%0.493SS..  trans-133.276.6-169.4-166.10000111.9G31 P33V29-G31 PolarHBondContact O-N 3.06Å; V29-P33 HydrophobicContact CG1-CG 4.28Å
30E40.5Very low65.4Low211 Ų21191.6 Ų91.699%0.98652%0.516SS*.  trans-71.667.3163-72.1-160.6133.300111
31G43.6Very low65.5Low43 Ų4391.7 Ų91.744%0.44352%0.515SS..SBendtrans-172.2103.3-179.900000109.6V29 P33V29-G31 PolarHBondContact O-N 3.06Å; G31-P33 WeakPolarHBondContact O-CD 3.24Å; G31-P33 WeakPolarHBondContact O-CG 3.4Å
32K37.7Very low65.9Low211 Ų21188.9 Ų88.992%0.91750%0.495SS*.  trans-48.1102.7-171.4-173.1173.9-173.21720111.3
33P49.9Very low66.4Low90 Ų9089.3 Ų89.358%0.58451%0.505SS*.PPolyproline II helixtrans-67144.5-176.2-19.533.3000109.2V29 G31 A35V29-P33 HydrophobicContact CG1-CG 4.28Å; G31-P33 WeakPolarHBondContact O-CD 3.24Å; G31-P33 WeakPolarHBondContact O-CG 3.4Å; P33-A35 PolarHBondContact O-N 2.95Å
34S57.5Low67.6Low109 Ų10984.8 Ų84.876%0.76249%0.485SS*.PPolyproline II helixtrans-58.3131.7154.4-179.50000106.7P36S34-P36 VanDerWaalsContact O-CD 3.31Å; S34-P36 WeakPolarHBondContact O-CD 3.4Å
35A65.6Low69.4Low87 Ų8778 Ų7872%0.71945%0.454SS*.PPolyproline II helixtrans-56.2116.6174.600000107.9P33 S37P33-A35 PolarHBondContact O-N 2.95Å; A35-S37 PolarHBondContact O-N 3.45Å
36P74.9Confident71.3Confident52 Ų5278.4 Ų78.434%0.33845%0.45SS..PPolyproline II helixtrans-64.5135.4-171.222.8-31.2000109.3S34 E40 I41 F103S34-P36 VanDerWaalsContact O-CD 3.31Å; S34-P36 WeakPolarHBondContact O-CD 3.4Å; P36-E40 WeakPolarHBondContact CA-OE2 3.2Å; P36-I41 HydrophobicContact CB-CD1 4.42Å; P36-I41 HydrophobicContact CB-CG1 4.07Å; P36-I41 HydrophobicContact CG-CD1 4.1Å; P36-I41 HydrophobicContact CG-CG1 4.13Å; P36-F103 HydrophobicContact CG-CE2 3.98Å; P36-F103 HydrophobicContact CG-CZ 3.96Å
37S87.6Confident73.5Confident47 Ų4777.6 Ų77.633%0.32945%0.447SS..PPolyproline II helixtrans-67.3149.1-177.180.50000110.2A35 Q39 E40 I41A35-S37 PolarHBondContact O-N 3.45Å; S37-Q39 PolarHBondContact O-N 2.89Å; S37-E40 WeakPolarHBondContact CB-OE1 3.48Å; S37-E40 PolarHBondContact N-OE2 2.96Å; S37-E40 WeakPolarHBondContact O-CA 3.43Å; S37-E40 WeakPolarHBondContact O-CB 3.47Å; S37-E40 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact OG-N 3.36Å; S37-E40 PolarHBondContact OG-OE1 3.44Å; S37-I41 WeakPolarHBondContact O-CG1 3.45Å; S37-I41 PolarHBondContact O-N 3.47Å
38G89.5Confident75.5Confident7 Ų769.4 Ų69.47%0.07242%0.417CS..Hα-helixtrans-55.3-22.7176.400000113.8F42 F67G38-F42 WeakPolarHBondContact O-CB 3.45Å; G38-F42 PolarHBondContact O-N 3.1Å; G38-F67 VanDerWaalsContact O-CE2 3.29Å; G38-F67 WeakPolarHBondContact O-CE2 3.33Å
39Q91.8Very high77.7Confident99 Ų9965.4 Ų65.446%0.46338%0.384SS..Hα-helixtrans-74.9-37.8174.2-170.663.37400112.6S37 A43 F67S37-Q39 PolarHBondContact O-N 2.89Å; Q39-A43 WeakPolarHBondContact O-CB 3.41Å; Q39-A43 PolarHBondContact O-N 2.93Å; Q39-F67 VanDerWaalsContact OE1-CD1 3.25Å
40E92.9Very high80Confident108 Ų10863.1 Ų63.151%0.50537%0.372SS..Hα-helixtrans-67.5-44.2170.8-71.1136.9-125.900111.1P36 S37 F42 A43 D44P36-E40 WeakPolarHBondContact CA-OE2 3.2Å; S37-E40 WeakPolarHBondContact CB-OE1 3.48Å; S37-E40 PolarHBondContact N-OE2 2.96Å; S37-E40 WeakPolarHBondContact O-CA 3.43Å; S37-E40 WeakPolarHBondContact O-CB 3.47Å; S37-E40 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact OG-N 3.36Å; S37-E40 PolarHBondContact OG-OE1 3.44Å; E40-F42 VanDerWaalsContact C-N 3.31Å; E40-F42 PolarHBondContact O-N 3.02Å; E40-A43 WeakPolarHBondContact O-CB 3.29Å; E40-A43 PolarHBondContact O-N 3.41Å; E40-D44 PolarHBondContact O-N 2.98Å
41I93.3Very high82.4Confident6 Ų656.1 Ų56.13%0.03134%0.336CS..Hα-helixtrans-61.6-41.3177.5-60171.5000110.2F19 P36 S37 F45 W70 P100 F103F19-I41 HydrophobicContact CD2-CG2 4.08Å; F19-I41 HydrophobicContact CE2-CG2 3.6Å; F19-I41 HydrophobicContact CZ-CG2 4.2Å; P36-I41 HydrophobicContact CB-CD1 4.42Å; P36-I41 HydrophobicContact CB-CG1 4.07Å; P36-I41 HydrophobicContact CG-CD1 4.1Å; P36-I41 HydrophobicContact CG-CG1 4.13Å; S37-I41 WeakPolarHBondContact O-CG1 3.45Å; S37-I41 PolarHBondContact O-N 3.47Å; I41-F45 WeakPolarHBondContact O-CB 3.43Å; I41-F45 PolarHBondContact O-N 3.45Å; I41-W70 HydrophobicContact CB-CZ3 4.43Å; I41-W70 HydrophobicContact CD1-CE3 4.45Å; I41-W70 HydrophobicContact CD1-CH2 3.28Å; I41-W70 HydrophobicContact CD1-CZ2 3.42Å; I41-W70 VanDerWaalsContact CD1-CZ2 3.42Å; I41-W70 HydrophobicContact CD1-CZ3 3.85Å; I41-W70 HydrophobicContact CG2-CH2 4.27Å; I41-W70 HydrophobicContact CG2-CZ3 4.02Å; I41-P100 HydrophobicContact CG2-CB 4.4Å; I41-P100 HydrophobicContact CG2-CG 3.95Å; I41-F103 HydrophobicContact CD1-CE2 3.95Å; I41-F103 HydrophobicContact CD1-CZ 3.79Å; I41-F103 HydrophobicContact CG1-CE2 3.96Å; I41-F103 HydrophobicContact CG1-CZ 4.32Å
42F95.6Very high84.8Confident12 Ų1254.1 Ų54.15%0.05332%0.316CS..Hα-helixtrans-64.3-39.7171.4177.1-95.9000113G38 E40 K46 Y66 F67 L76 I78G38-F42 WeakPolarHBondContact O-CB 3.45Å; G38-F42 PolarHBondContact O-N 3.1Å; E40-F42 VanDerWaalsContact C-N 3.31Å; E40-F42 PolarHBondContact O-N 3.02Å; F42-K46 HydrophobicContact CE1-CD 3.87Å; F42-K46 HydrophobicContact CZ-CD 3.98Å; F42-K46 VanDerWaalsContact O-CB 3.24Å; F42-K46 WeakPolarHBondContact O-CB 3.42Å; F42-K46 PolarHBondContact O-N 3.44Å; F42-Y66 VanDerWaalsContact CZ-C 3.47Å; F42-F67 HydrophobicContact CB-CB 4.46Å; F42-F67 HydrophobicContact CB-CD2 3.69Å; F42-F67 HydrophobicContact CB-CE2 4.41Å; F42-F67 HydrophobicContact CB-CG 4.46Å; F42-F67 HydrophobicContact CD1-CB 3.81Å; F42-F67 HydrophobicContact CD2-CB 4.2Å; F42-F67 HydrophobicContact CD2-CD2 4.29Å; F42-F67 HydrophobicContact CE1-CB 4.08Å; F42-F67 HydrophobicContact CE2-CB 4.46Å; F42-F67 HydrophobicContact CG-CB 3.87Å; F42-F67 AromaticContact CG-CD2 3.94Å; F42-F67 HydrophobicContact CG-CD2 3.94Å; F42-F67 HydrophobicContact CG-CG 4.37Å; F42-F67 HydrophobicContact CZ-CB 4.41Å; F42-L76 HydrophobicContact CB-CD1 3.9Å; F42-L76 HydrophobicContact CB-CD2 4.38Å; F42-L76 HydrophobicContact CD2-CD1 4.05Å; F42-L76 HydrophobicContact CD2-CD2 4.18Å; F42-L76 HydrophobicContact CG-CD1 4.43Å; F42-I78 HydrophobicContact CD2-CG1 4.31Å; F42-I78 HydrophobicContact CE2-CG1 4.23Å; F42-I78 HydrophobicContact CE2-CG2 4.28Å
43A95.2Very high87.4Confident55 Ų5547.3 Ų47.346%0.45529%0.286SS..Hα-helixtrans-65.2-44.8178.800000111.7Q39 E40 K46 A47Q39-A43 WeakPolarHBondContact O-CB 3.41Å; Q39-A43 PolarHBondContact O-N 2.93Å; E40-A43 WeakPolarHBondContact O-CB 3.29Å; E40-A43 PolarHBondContact O-N 3.41Å; A43-K46 PolarHBondContact O-N 3.02Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.4Å
44D94.8Very high89.4Confident31 Ų3144 Ų4417%0.16626%0.262CS..Hα-helixtrans-69.9-41.3175.7-166.979.2000111.7E40 K46 A47 Q48 P100 K101E40-D44 PolarHBondContact O-N 2.98Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 3.46Å; D44-A47 PolarHBondContact O-N 3.25Å; D44-A47 VanDerWaalsContact O-N 3.11Å; D44-Q48 WeakPolarHBondContact O-CB 3.3Å; D44-Q48 VanDerWaalsContact O-CG 3.26Å; D44-Q48 WeakPolarHBondContact O-CG 3.49Å; D44-Q48 PolarHBondContact O-N 2.83Å; D44-Q48 WeakPolarHBondContact OD2-CG 3.32Å; D44-P100 HydrophobicContact CB-CB 4.36Å; D44-P100 VanDerWaalsContact OD2-CA 3.24Å; D44-P100 WeakPolarHBondContact OD2-CA 3.48Å; D44-K101 IonicContact OD1-NZ 3.67Å; D44-K101 PolarHBondContact OD1-NZ 3.49Å; D44-K101 PolarHBondContact OD2-N 2.99Å
45F95.8Very high91.2Very high0 Ų040.2 Ų40.20%023%0.233CC..Hα-helixtrans-51.2-49.3170.8177.3-100.5000111.9F19 I41 N49 M62 L76 I78 L88 L97 P100 I105F19-F45 HydrophobicContact CE1-CD2 4.32Å; F19-F45 HydrophobicContact CZ-CD2 4.13Å; I41-F45 WeakPolarHBondContact O-CB 3.43Å; I41-F45 PolarHBondContact O-N 3.45Å; F45-N49 PolarHBondContact O-N 3.13Å; F45-N49 VanDerWaalsContact O-N 3.16Å; F45-N49 PolarHBondContact O-ND2 2.88Å; F45-M62 HydrophobicContact CD1-SD 4.37Å; F45-M62 HydrophobicContact CE1-CE 3.64Å; F45-M62 HydrophobicContact CE1-SD 3.86Å; F45-M62 HydrophobicContact CZ-CE 3.82Å; F45-L76 HydrophobicContact CB-CD2 4.49Å; F45-L76 HydrophobicContact CD1-CD2 4.49Å; F45-L76 HydrophobicContact CG-CD2 4.39Å; F45-I78 HydrophobicContact CD1-CD1 3.88Å; F45-I78 HydrophobicContact CE1-CD1 3.34Å; F45-I78 HydrophobicContact CZ-CD1 3.9Å; F45-L88 HydrophobicContact CE1-CD2 4.38Å; F45-L97 HydrophobicContact CE2-CD1 4.39Å; F45-L97 HydrophobicContact CE2-CD2 4.21Å; F45-L97 HydrophobicContact CE2-CG 4.18Å; F45-L97 HydrophobicContact CZ-CD1 3.96Å; F45-L97 HydrophobicContact CZ-CD2 4.11Å; F45-L97 HydrophobicContact CZ-CG 4.19Å; F45-P100 HydrophobicContact CB-CG 4.08Å; F45-P100 HydrophobicContact CD2-CG 4.42Å; F45-I105 HydrophobicContact CE2-CD1 4.17Å
46K95.9Very high92.5Very high52 Ų5243.2 Ų43.223%0.22623%0.23CC..Hα-helixtrans-66.5-39.1178.8-176.7165.4172.2128.20111.4F42 A43 D44 S50 M62 A63 V65F42-K46 HydrophobicContact CE1-CD 3.87Å; F42-K46 HydrophobicContact CZ-CD 3.98Å; F42-K46 VanDerWaalsContact O-CB 3.24Å; F42-K46 WeakPolarHBondContact O-CB 3.42Å; F42-K46 PolarHBondContact O-N 3.44Å; A43-K46 PolarHBondContact O-N 3.02Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 3.46Å; K46-S50 VanDerWaalsContact O-CB 3.24Å; K46-S50 WeakPolarHBondContact O-CB 3.45Å; K46-S50 PolarHBondContact O-N 3.05Å; K46-S50 PolarHBondContact O-OG 3.3Å; K46-M62 WeakPolarHBondContact CD-O 3.25Å; K46-M62 WeakPolarHBondContact CE-O 3.28Å; K46-M62 PolarHBondContact NZ-O 2.99Å; K46-A63 PolarHBondContact NZ-O 3.27Å; K46-V65 PolarHBondContact NZ-O 3.37Å
47A94.4Very high93.5Very high50 Ų5046.8 Ų46.841%0.41324%0.237SC..Hα-helixtrans-65.2-50.1176.100000112.2A43 D44 N49 S50 R51A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.4Å; D44-A47 PolarHBondContact O-N 3.25Å; D44-A47 VanDerWaalsContact O-N 3.11Å; A47-N49 PolarHBondContact O-N 2.99Å; A47-S50 PolarHBondContact O-N 3.32Å; A47-S50 VanDerWaalsContact O-N 3.13Å; A47-R51 PolarHBondContact O-N 2.76Å
48Q93.9Very high93.9Very high20 Ų2044.6 Ų44.69%0.09322%0.221CC..Hα-helixtrans-60.2-42.9-179-66-69.810.800112D44 R51 R98D44-Q48 WeakPolarHBondContact O-CB 3.3Å; D44-Q48 VanDerWaalsContact O-CG 3.26Å; D44-Q48 WeakPolarHBondContact O-CG 3.49Å; D44-Q48 PolarHBondContact O-N 2.83Å; D44-Q48 WeakPolarHBondContact OD2-CG 3.32Å; Q48-R51 WeakPolarHBondContact O-CB 3.47Å; Q48-R51 PolarHBondContact O-N 2.89Å; Q48-R98 HydrophobicContact CB-CB 4.09Å; Q48-R98 VanDerWaalsContact O-CD 3.29Å; Q48-R98 WeakPolarHBondContact O-CD 3.11Å
49N95.6Very high94.2Very high0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-77.8-20.4177.8-71.7-81.2000113.6F45 A47 R51 S52 M62 L97 R98F45-N49 PolarHBondContact O-N 3.13Å; F45-N49 VanDerWaalsContact O-N 3.16Å; F45-N49 PolarHBondContact O-ND2 2.88Å; A47-N49 PolarHBondContact O-N 2.99Å; N49-R51 VanDerWaalsContact C-N 3.28Å; N49-S52 WeakPolarHBondContact O-CB 3.45Å; N49-S52 PolarHBondContact O-N 3.37Å; N49-M62 HydrophobicContact CB-CE 3.59Å; N49-M62 HydrophobicContact CB-CG 3.58Å; N49-M62 HydrophobicContact CB-SD 3.66Å; N49-L97 WeakPolarHBondContact OD1-CD1 3.47Å; N49-R98 PolarHBondContact ND2-O 3.12Å; N49-R98 PolarHBondContact OD1-N 3.11Å
50S94.3Very high94.4Very high36 Ų3647.2 Ų47.225%0.25223%0.232SC..Hα-helixtrans-74.3-18171.4-61.40000113K46 A47 S52K46-S50 VanDerWaalsContact O-CB 3.24Å; K46-S50 WeakPolarHBondContact O-CB 3.45Å; K46-S50 PolarHBondContact O-N 3.05Å; K46-S50 PolarHBondContact O-OG 3.3Å; A47-S50 PolarHBondContact O-N 3.32Å; A47-S50 VanDerWaalsContact O-N 3.13Å; S50-S52 VanDerWaalsContact C-N 3.25Å; S50-S52 PolarHBondContact O-N 3.27Å
51R91.2Very high94.6Very high64 Ų6442.1 Ų42.124%0.24221%0.208CC..THydrogen-bonded Turntrans-72.9-13.8172.2-66169.363.9-142.2-7.6113.3A47 Q48 N49 F53 S136 D137 S140A47-R51 PolarHBondContact O-N 2.76Å; Q48-R51 WeakPolarHBondContact O-CB 3.47Å; Q48-R51 PolarHBondContact O-N 2.89Å; N49-R51 VanDerWaalsContact C-N 3.28Å; R51-F53 WeakPolarHBondContact O-CD2 3.43Å; R51-F53 PolarHBondContact O-N 2.81Å; R51-S136 PolarHBondContact NH2-O 3.41Å; R51-S136 VanDerWaalsContact NH2-O 3.11Å; R51-D137 IonicContact CZ-OD1 3.22Å; R51-D137 IonicContact NH1-OD1 3.39Å; R51-D137 PolarHBondContact NH1-OD1 3.1Å; R51-D137 VanDerWaalsContact NH1-OD1 3.1Å; R51-D137 IonicContact NH2-OD1 3.38Å; R51-D137 PolarHBondContact NH2-OD1 2.98Å; R51-S140 PolarHBondContact NH2-OG 3.41Å
52S93.3Very high94.7Very high1 Ų141.9 Ų41.91%0.00721%0.207CC..  trans-75.454.7-176.9-55.70000113.6N49 S50 W54 N55 V59N49-S52 WeakPolarHBondContact O-CB 3.45Å; N49-S52 PolarHBondContact O-N 3.37Å; S50-S52 VanDerWaalsContact C-N 3.25Å; S50-S52 PolarHBondContact O-N 3.27Å; S52-W54 PolarHBondContact O-N 3.2Å; S52-N55 CarbonylContact O-C 3.56Å; S52-N55 WeakPolarHBondContact O-CA 3.49Å; S52-N55 PolarHBondContact O-N 3.43Å; S52-V59 WeakPolarHBondContact O-CG2 3.47Å
53F92.4Very high94.7Very high68 Ų6844.5 Ų44.530%0.29823%0.231SC..THydrogen-bonded Turntrans-55.9-27.4-170.1-68.1-71.6000115.2R51 N55 I191 T193 P194R51-F53 WeakPolarHBondContact O-CD2 3.43Å; R51-F53 PolarHBondContact O-N 2.81Å; F53-N55 VanDerWaalsContact C-N 3.26Å; F53-N55 PolarHBondContact O-N 3.4Å; F53-I191 HydrophobicContact CB-CG2 4.09Å; F53-I191 HydrophobicContact CD2-CG2 4.38Å; F53-T193 HydrophobicContact CD2-CG2 3.86Å; F53-T193 HydrophobicContact CE2-CG2 3.91Å; F53-T193 HydrophobicContact CG-CG2 4.39Å; F53-T193 HydrophobicContact CZ-CG2 4.48Å; F53-P194 HydrophobicContact CD1-CG 4.43Å; F53-P194 HydrophobicContact CE1-CG 4.37Å
54W93.1Very high94.7Very high20 Ų2045.9 Ų45.98%0.07623%0.228CC..THydrogen-bonded Turntrans-64.1-31.4173.959.197.6000112.3S52 K56 E129 C132 K181 I191S52-W54 PolarHBondContact O-N 3.2Å; W54-K56 PolarHBondContact O-N 3.01Å; W54-E129 PolarHBondContact NE1-OE2 3.41Å; W54-C132 HydrophobicContact CB-CB 4.31Å; W54-C132 HydrophobicContact CD2-CB 3.37Å; W54-C132 HydrophobicContact CE3-CB 3.72Å; W54-C132 HydrophobicContact CG-CB 3.65Å; W54-C132 HydrophobicContact CH2-CB 4.34Å; W54-C132 HydrophobicContact CZ2-CB 4.04Å; W54-C132 HydrophobicContact CZ3-CB 4.19Å; W54-C132 WeakPolarHBondContact CZ3-O 3.48Å; W54-K181 HydrophobicContact CB-CB 4.03Å; W54-K181 HydrophobicContact CB-CD 4.05Å; W54-K181 HydrophobicContact CB-CG 3.85Å; W54-I191 HydrophobicContact CE3-CD1 4.46Å; W54-I191 HydrophobicContact CE3-CG2 4.29Å
55N93.9Very high94.7Very high30 Ų3044.5 Ų44.516%0.1622%0.221CC..  trans-99.476.4176.1-169.1-19.6000110.9S52 F53 R57 L58 V59S52-N55 CarbonylContact O-C 3.56Å; S52-N55 WeakPolarHBondContact O-CA 3.49Å; S52-N55 PolarHBondContact O-N 3.43Å; F53-N55 VanDerWaalsContact C-N 3.26Å; F53-N55 PolarHBondContact O-N 3.4Å; N55-R57 PolarHBondContact O-N 3.45Å; N55-R57 VanDerWaalsContact O-N 3.1Å; N55-R57 PolarHBondContact OD1-N 3.04Å; N55-L58 HydrophobicContact CB-CB 3.99Å; N55-L58 VanDerWaalsContact CG-CB 3.45Å; N55-L58 PolarHBondContact O-N 3.27Å; N55-L58 PolarHBondContact OD1-N 2.88Å; N55-V59 PolarHBondContact O-N 2.89Å; N55-V59 VanDerWaalsContact O-N 3.09Å
56K93.2Very high94.7Very high149 Ų14949.7 Ų49.765%0.64824%0.241SC*.Hα-helixtrans-57.1-25.5-179.9-62.7174.7-176.7170.60114W54 K60W54-K56 PolarHBondContact O-N 3.01Å; K56-K60 PolarHBondContact O-N 3Å
57R95.4Very high94.6Very high128 Ų12849.9 Ų49.948%0.48324%0.242SC..Hα-helixtrans-70.8-47.9173.5-75.5176.663.9-140.6-5.8110.6N55 K60 A61 V87 E90N55-R57 PolarHBondContact O-N 3.45Å; N55-R57 VanDerWaalsContact O-N 3.1Å; N55-R57 PolarHBondContact OD1-N 3.04Å; R57-K60 PolarHBondContact O-N 3.38Å; R57-A61 PolarHBondContact O-N 3.1Å; R57-V87 HydrophobicContact CB-CG1 4.23Å; R57-V87 HydrophobicContact CB-CG2 4.28Å; R57-E90 IonicContact CZ-OE2 3.46Å; R57-E90 IonicContact NH1-OE1 2.74Å; R57-E90 PolarHBondContact NH1-OE1 2.8Å; R57-E90 IonicContact NH1-OE2 3.11Å; R57-E90 PolarHBondContact NH1-OE2 3.12Å; R57-E90 IonicContact NH2-OE2 3.94Å; R57-E90 PolarHBondContact NH2-OE2 2.92Å
58L96.3Very high94.4Very high0 Ų050 Ų500%023%0.234CC..Hα-helixtrans-60.6-48.4178-177.360000112.1N55 K60 A61 M62 V87 A91 L97N55-L58 HydrophobicContact CB-CB 3.99Å; N55-L58 VanDerWaalsContact CG-CB 3.45Å; N55-L58 PolarHBondContact O-N 3.27Å; N55-L58 PolarHBondContact OD1-N 2.88Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 3.33Å; L58-A61 PolarHBondContact O-N 3.48Å; L58-A61 VanDerWaalsContact O-N 3.16Å; L58-M62 HydrophobicContact CD1-CE 3.63Å; L58-M62 HydrophobicContact CD1-CG 4.13Å; L58-M62 HydrophobicContact CG-CG 4.34Å; L58-M62 WeakPolarHBondContact O-CB 3.33Å; L58-M62 VanDerWaalsContact O-CG 3.29Å; L58-M62 WeakPolarHBondContact O-CG 3.38Å; L58-M62 PolarHBondContact O-N 3.45Å; L58-V87 HydrophobicContact CB-CG1 4.24Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; L58-A91 HydrophobicContact CD1-CB 3.8Å; L58-A91 HydrophobicContact CD2-CB 4.01Å; L58-A91 HydrophobicContact CG-CB 4.46Å; L58-L97 HydrophobicContact CD1-CD1 4.16Å
59V95.9Very high94.2Very high34 Ų3449.2 Ų49.221%0.20623%0.231CC..Hα-helixtrans-59.5-40.2178.9179.60000111.5S52 N55 A63S52-V59 WeakPolarHBondContact O-CG2 3.47Å; N55-V59 PolarHBondContact O-N 2.89Å; N55-V59 VanDerWaalsContact O-N 3.09Å; V59-A63 PolarHBondContact O-N 3.42Å; V59-A63 VanDerWaalsContact O-N 3.11Å
60K95.9Very high93.9Very high128 Ų12852.4 Ų52.456%0.55724%0.243SC*.Hα-helixtrans-66.2-46.5174.6-176.6179.3171.9-176.40112.3K56 R57 L58 M62 A63 E64K56-K60 PolarHBondContact O-N 3Å; R57-K60 PolarHBondContact O-N 3.38Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 3.33Å; K60-M62 VanDerWaalsContact C-N 3.29Å; K60-M62 PolarHBondContact O-N 3.04Å; K60-A63 WeakPolarHBondContact O-CB 3.45Å; K60-A63 PolarHBondContact O-N 2.82Å; K60-E64 WeakPolarHBondContact CE-OE1 3.45Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 PolarHBondContact NZ-OE1 2.74Å; K60-E64 PolarHBondContact O-N 2.94Å
61A96.9Very high93.6Very high1 Ų154.8 Ų54.81%0.00825%0.252CS..Hα-helixtrans-59.9-41.7177.700000111.3R57 L58 A63 E64 V65 N84 V87 L88R57-A61 PolarHBondContact O-N 3.1Å; L58-A61 PolarHBondContact O-N 3.48Å; L58-A61 VanDerWaalsContact O-N 3.16Å; A61-A63 PolarHBondContact O-N 3Å; A61-E64 PolarHBondContact O-N 3.06Å; A61-E64 VanDerWaalsContact O-N 3.15Å; A61-V65 WeakPolarHBondContact O-CG1 3.11Å; A61-V65 PolarHBondContact O-N 3.4Å; A61-N84 HydrophobicContact CB-CB 3.94Å; A61-V87 HydrophobicContact CB-CB 3.8Å; A61-V87 HydrophobicContact CB-CG1 3.64Å; A61-L88 HydrophobicContact CB-CD1 4.02Å
62M96.4Very high93Very high0 Ų060.4 Ų60.40%028%0.281CS..Hα-helixtrans-60.7-40.2176-74.3-64.6161.900112.7F45 K46 N49 L58 K60 E64 V65 L88 L97F45-M62 HydrophobicContact CD1-SD 4.37Å; F45-M62 HydrophobicContact CE1-CE 3.64Å; F45-M62 HydrophobicContact CE1-SD 3.86Å; F45-M62 HydrophobicContact CZ-CE 3.82Å; K46-M62 WeakPolarHBondContact CD-O 3.25Å; K46-M62 WeakPolarHBondContact CE-O 3.28Å; K46-M62 PolarHBondContact NZ-O 2.99Å; N49-M62 HydrophobicContact CB-CE 3.59Å; N49-M62 HydrophobicContact CB-CG 3.58Å; N49-M62 HydrophobicContact CB-SD 3.66Å; L58-M62 HydrophobicContact CD1-CE 3.63Å; L58-M62 HydrophobicContact CD1-CG 4.13Å; L58-M62 HydrophobicContact CG-CG 4.34Å; L58-M62 WeakPolarHBondContact O-CB 3.33Å; L58-M62 VanDerWaalsContact O-CG 3.29Å; L58-M62 WeakPolarHBondContact O-CG 3.38Å; L58-M62 PolarHBondContact O-N 3.45Å; K60-M62 VanDerWaalsContact C-N 3.29Å; K60-M62 PolarHBondContact O-N 3.04Å; M62-E64 VanDerWaalsContact C-N 3.3Å; M62-E64 PolarHBondContact O-N 3.23Å; M62-V65 WeakPolarHBondContact O-CG2 3.35Å; M62-V65 HydrophobicContact SD-CG2 4.34Å; M62-L88 HydrophobicContact CE-CD1 3.7Å; M62-L88 HydrophobicContact CE-CD2 3.99Å; M62-L88 HydrophobicContact CE-CG 3.62Å; M62-L88 HydrophobicContact SD-CD1 4.48Å; M62-L97 HydrophobicContact CE-CD1 3.56Å
63A95.5Very high92.4Very high68 Ų6866.4 Ų66.456%0.56231%0.313SS*.Hα-helixtrans-60.3-39.6174.500000112.4K46 V59 K60 A61K46-A63 PolarHBondContact NZ-O 3.27Å; V59-A63 PolarHBondContact O-N 3.42Å; V59-A63 VanDerWaalsContact O-N 3.11Å; K60-A63 WeakPolarHBondContact O-CB 3.45Å; K60-A63 PolarHBondContact O-N 2.82Å; A61-A63 PolarHBondContact O-N 3Å
64E95.3Very high92.3Very high83 Ų8365.4 Ų65.439%0.38831%0.31SS..Hα-helixtrans-90.8-14.8-173.3-71-178-160.200115.8K60 A61 M62 N81 N84K60-E64 WeakPolarHBondContact CE-OE1 3.45Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 PolarHBondContact NZ-OE1 2.74Å; K60-E64 PolarHBondContact O-N 2.94Å; A61-E64 PolarHBondContact O-N 3.06Å; A61-E64 VanDerWaalsContact O-N 3.15Å; M62-E64 VanDerWaalsContact C-N 3.3Å; M62-E64 PolarHBondContact O-N 3.23Å; E64-N81 PolarHBondContact OE2-ND2 3.41Å; E64-N84 WeakPolarHBondContact CB-ND2 3.5Å; E64-N84 PolarHBondContact OE2-ND2 3.44Å
65V95.3Very high92.3Very high2 Ų265.4 Ų65.41%0.01231%0.312CS..  trans-79.4153.7173.1-65.90000112.9K46 A61 M62 I78 N84 L85 L88K46-V65 PolarHBondContact NZ-O 3.37Å; A61-V65 WeakPolarHBondContact O-CG1 3.11Å; A61-V65 PolarHBondContact O-N 3.4Å; M62-V65 WeakPolarHBondContact O-CG2 3.35Å; M62-V65 HydrophobicContact SD-CG2 4.34Å; V65-I78 HydrophobicContact CB-CG2 3.68Å; V65-I78 HydrophobicContact CG1-CG2 4.07Å; V65-I78 HydrophobicContact CG2-CG2 4.04Å; V65-N84 HydrophobicContact CG1-CB 4.07Å; V65-L85 HydrophobicContact CG1-CD2 4.17Å; V65-L88 HydrophobicContact CG1-CD1 4.23Å
66Y93.9Very high92.2Very high110 Ų11064 Ų6443%0.43131%0.305SS..EExtended strand (participates in β ladder)trans-134.7157.7-17653.1-81000112.8F42 Q79F42-Y66 VanDerWaalsContact CZ-C 3.47Å; Y66-Q79 VanDerWaalsContact CD1-O 3.28Å; Y66-Q79 WeakPolarHBondContact CD1-O 3.37Å; Y66-Q79 HydrophobicContact CD2-CB 3.98Å; Y66-Q79 HydrophobicContact CE1-CB 4.37Å; Y66-Q79 HydrophobicContact CE1-CG 4.43Å; Y66-Q79 HydrophobicContact CE2-CB 3.54Å; Y66-Q79 HydrophobicContact CE2-CG 3.75Å; Y66-Q79 PolarHBondContact N-O 3.11Å; Y66-Q79 PolarHBondContact O-N 3.21Å; Y66-Q79 WeakPolarHBondContact OH-CG 3.45Å; Y66-Q79 PolarHBondContact OH-NE2 2.95Å
67F93.8Very high92.3Very high56 Ų5657.7 Ų57.725%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-72.8129.4177.1179.5-103.5000110.4G38 Q39 F42 G69 W70 L76G38-F67 VanDerWaalsContact O-CE2 3.29Å; G38-F67 WeakPolarHBondContact O-CE2 3.33Å; Q39-F67 VanDerWaalsContact OE1-CD1 3.25Å; F42-F67 HydrophobicContact CB-CB 4.46Å; F42-F67 HydrophobicContact CB-CD2 3.69Å; F42-F67 HydrophobicContact CB-CE2 4.41Å; F42-F67 HydrophobicContact CB-CG 4.46Å; F42-F67 HydrophobicContact CD1-CB 3.81Å; F42-F67 HydrophobicContact CD2-CB 4.2Å; F42-F67 HydrophobicContact CD2-CD2 4.29Å; F42-F67 HydrophobicContact CE1-CB 4.08Å; F42-F67 HydrophobicContact CE2-CB 4.46Å; F42-F67 HydrophobicContact CG-CB 3.87Å; F42-F67 AromaticContact CG-CD2 3.94Å; F42-F67 HydrophobicContact CG-CD2 3.94Å; F42-F67 HydrophobicContact CG-CG 4.37Å; F42-F67 HydrophobicContact CZ-CB 4.41Å; F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; F67-W70 HydrophobicContact CE2-CB 4.11Å; F67-W70 HydrophobicContact CZ-CB 3.92Å; F67-L76 HydrophobicContact CD2-CD1 3.62Å; F67-L76 HydrophobicContact CE2-CD1 3.67Å
68Q90.8Very high92.2Very high52 Ų5251.6 Ų51.624%0.24325%0.254CS..EExtended strand (participates in β ladder)trans-108.5-32.1174.4178.663-12.800112.3V8 Q9 F77 Q79V8-Q68 HydrophobicContact CG1-CG 3.95Å; Q9-Q68 PolarHBondContact O-NE2 2.97Å; Q68-F77 HydrophobicContact CB-CB 4.08Å; Q68-F77 HydrophobicContact CG-CB 4.41Å; Q68-F77 PolarHBondContact N-O 3.25Å; Q68-Q79 HydrophobicContact CB-CB 3.95Å; Q68-Q79 VanDerWaalsContact CD-OE1 3.27Å; Q68-Q79 HydrophobicContact CG-CB 4.45Å; Q68-Q79 VanDerWaalsContact OE1-OE1 3.09Å
69G89.6Confident92.1Very high4 Ų453 Ų534%0.04126%0.261CS..EExtended strand (participates in β ladder)trans172.5177.1-179.200000113.6F67 F77F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; G69-F77 PolarHBondContact N-O 3.35Å; G69-F77 PolarHBondContact O-N 2.92Å
70W89.8Confident91.9Very high67 Ų6751.7 Ų51.725%0.25425%0.254SS..EExtended strand (participates in β ladder)trans-145140.7-178.8173.6-101.5000109.3F19 I41 F67 L74 V75 L76F19-W70 HydrophobicContact CD2-CH2 4.08Å; F19-W70 AromaticContact CD2-CZ3 3.81Å; F19-W70 HydrophobicContact CD2-CZ3 3.81Å; F19-W70 AromaticContact CE2-CZ3 3.98Å; F19-W70 HydrophobicContact CE2-CZ3 3.98Å; I41-W70 HydrophobicContact CB-CZ3 4.43Å; I41-W70 HydrophobicContact CD1-CE3 4.45Å; I41-W70 HydrophobicContact CD1-CH2 3.28Å; I41-W70 HydrophobicContact CD1-CZ2 3.42Å; I41-W70 VanDerWaalsContact CD1-CZ2 3.42Å; I41-W70 HydrophobicContact CD1-CZ3 3.85Å; I41-W70 HydrophobicContact CG2-CH2 4.27Å; I41-W70 HydrophobicContact CG2-CZ3 4.02Å; F67-W70 HydrophobicContact CE2-CB 4.11Å; F67-W70 HydrophobicContact CZ-CB 3.92Å; W70-L74 HydrophobicContact CH2-CB 4.16Å; W70-L74 HydrophobicContact CH2-CD2 4.03Å; W70-L74 HydrophobicContact CZ2-CB 4.47Å; W70-L74 HydrophobicContact CZ2-CD2 3.74Å; W70-V75 CarbonylContact C-O 3.59Å; W70-V75 WeakPolarHBondContact CA-O 3.42Å; W70-L76 HydrophobicContact CE3-CB 3.88Å; W70-L76 HydrophobicContact CZ3-CB 3.92Å
71M87.2Confident91.8Very high86 Ų8648.9 Ų48.942%0.42425%0.245SC..EExtended strand (participates in β ladder)trans-109.6145.4168.9-61.5-179.164.100110.1N73 L74 V75 F77M71-N73 PolarHBondContact O-N 2.97Å; M71-N73 VanDerWaalsContact O-N 3.11Å; M71-L74 PolarHBondContact O-N 3.34Å; M71-L74 VanDerWaalsContact O-N 3.13Å; M71-V75 HydrophobicContact CB-CB 4.09Å; M71-V75 HydrophobicContact CB-CG2 4.46Å; M71-V75 HydrophobicContact CG-CB 4.38Å; M71-V75 PolarHBondContact N-O 3.16Å; M71-V75 PolarHBondContact O-N 3.48Å; M71-V75 HydrophobicContact SD-CB 4.32Å; M71-V75 HydrophobicContact SD-CG2 4.49Å; M71-F77 HydrophobicContact CG-CE2 3.74Å; M71-F77 HydrophobicContact CG-CZ 3.87Å; M71-F77 HydrophobicContact SD-CE2 3.99Å; M71-F77 HydrophobicContact SD-CZ 3.52Å; M71-F77 VanDerWaalsContact SD-CZ 3.52Å
72E78.8Confident91.6Very high182 Ų18252.2 Ų52.285%0.8527%0.273SS*.THydrogen-bonded Turntrans-56.1-29.2178.3-62.5176.7170.300112.7L74E72-L74 PolarHBondContact O-N 3.02Å
73N81.8Confident91.5Very high127 Ų12758.2 Ų58.268%0.67931%0.305SS*.THydrogen-bonded Turntrans-73.432.7173.1-61.50.8000113.8M71 V75M71-N73 PolarHBondContact O-N 2.97Å; M71-N73 VanDerWaalsContact O-N 3.11Å; N73-V75 VanDerWaalsContact C-N 3.29Å; N73-V75 WeakPolarHBondContact O-CG2 3.42Å; N73-V75 PolarHBondContact O-N 3.11Å
74L90.3Very high91.4Very high47 Ų4755.6 Ų55.625%0.24628%0.281CS..THydrogen-bonded Turntrans56.530.8178.5-52.1-175.2000115.8F19 W70 M71 E72 F103F19-L74 HydrophobicContact CB-CB 4.27Å; F19-L74 PolarHBondContact N-O 2.98Å; F19-L74 VanDerWaalsContact O-CB 3.3Å; F19-L74 WeakPolarHBondContact O-CB 3.45Å; W70-L74 HydrophobicContact CH2-CB 4.16Å; W70-L74 HydrophobicContact CH2-CD2 4.03Å; W70-L74 HydrophobicContact CZ2-CB 4.47Å; W70-L74 HydrophobicContact CZ2-CD2 3.74Å; M71-L74 PolarHBondContact O-N 3.34Å; M71-L74 VanDerWaalsContact O-N 3.13Å; E72-L74 PolarHBondContact O-N 3.02Å; L74-F103 HydrophobicContact CD1-CE1 4.26Å; L74-F103 HydrophobicContact CD2-CE1 4.04Å
75V91.9Very high91.4Very high20 Ų2051.7 Ų51.712%0.12126%0.263CS..EExtended strand (participates in β ladder)trans-103119.1178.8-166.50000110.8A16 V18 W70 M71 N73 F77A16-V75 HydrophobicContact CB-CG1 4.09Å; V18-V75 HydrophobicContact CG2-CG1 4.13Å; V18-V75 HydrophobicContact CG2-CG2 4.14Å; W70-V75 CarbonylContact C-O 3.59Å; W70-V75 WeakPolarHBondContact CA-O 3.42Å; M71-V75 HydrophobicContact CB-CB 4.09Å; M71-V75 HydrophobicContact CB-CG2 4.46Å; M71-V75 HydrophobicContact CG-CB 4.38Å; M71-V75 PolarHBondContact N-O 3.16Å; M71-V75 PolarHBondContact O-N 3.48Å; M71-V75 HydrophobicContact SD-CB 4.32Å; M71-V75 HydrophobicContact SD-CG2 4.49Å; N73-V75 VanDerWaalsContact C-N 3.29Å; N73-V75 WeakPolarHBondContact O-CG2 3.42Å; N73-V75 PolarHBondContact O-N 3.11Å; V75-F77 HydrophobicContact CG1-CD1 4.28Å; V75-F77 HydrophobicContact CG1-CE1 3.8Å; V75-F77 HydrophobicContact CG1-CZ 4.38Å
76L93.4Very high91.4Very high0 Ų055.6 Ų55.60%028%0.281CS..EExtended strand (participates in β ladder)trans-95.8129.1174.3169.663.2000110.7A16 V17 F19 F42 F45 F67 W70 I78A16-L76 WeakPolarHBondContact CA-O 3.47Å; V17-L76 HydrophobicContact CB-CB 4.4Å; V17-L76 PolarHBondContact N-O 3.05Å; V17-L76 PolarHBondContact O-N 3.11Å; F19-L76 HydrophobicContact CD2-CB 4.43Å; F19-L76 HydrophobicContact CE2-CB 3.62Å; F19-L76 HydrophobicContact CE2-CD2 3.8Å; F19-L76 HydrophobicContact CE2-CG 4.37Å; F19-L76 HydrophobicContact CZ-CB 4.35Å; F19-L76 HydrophobicContact CZ-CD2 3.83Å; F42-L76 HydrophobicContact CB-CD1 3.9Å; F42-L76 HydrophobicContact CB-CD2 4.38Å; F42-L76 HydrophobicContact CD2-CD1 4.05Å; F42-L76 HydrophobicContact CD2-CD2 4.18Å; F42-L76 HydrophobicContact CG-CD1 4.43Å; F45-L76 HydrophobicContact CB-CD2 4.49Å; F45-L76 HydrophobicContact CD1-CD2 4.49Å; F45-L76 HydrophobicContact CG-CD2 4.39Å; F67-L76 HydrophobicContact CD2-CD1 3.62Å; F67-L76 HydrophobicContact CE2-CD1 3.67Å; W70-L76 HydrophobicContact CE3-CB 3.88Å; W70-L76 HydrophobicContact CZ3-CB 3.92Å; L76-I78 HydrophobicContact CD2-CD1 4.02Å; L76-I78 HydrophobicContact CD2-CG1 4.04Å; L76-I78 HydrophobicContact CG-CD1 4.38Å; L76-I78 HydrophobicContact CG-CG1 3.87Å
77F93.5Very high91.6Very high17 Ų1751 Ų518%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-100.1118.6171.7-58.8-45.5000110.8V8 L10 A16 Q68 G69 M71 V75 L111V8-F77 HydrophobicContact CG1-CD2 4.45Å; L10-F77 HydrophobicContact CD2-CD2 3.98Å; L10-F77 HydrophobicContact CD2-CE1 4.45Å; L10-F77 HydrophobicContact CD2-CE2 3.92Å; L10-F77 HydrophobicContact CD2-CG 4.26Å; L10-F77 HydrophobicContact CD2-CZ 4.15Å; A16-F77 HydrophobicContact CB-CD1 4.06Å; A16-F77 HydrophobicContact CB-CE1 4.07Å; Q68-F77 HydrophobicContact CB-CB 4.08Å; Q68-F77 HydrophobicContact CG-CB 4.41Å; Q68-F77 PolarHBondContact N-O 3.25Å; G69-F77 PolarHBondContact N-O 3.35Å; G69-F77 PolarHBondContact O-N 2.92Å; M71-F77 HydrophobicContact CG-CE2 3.74Å; M71-F77 HydrophobicContact CG-CZ 3.87Å; M71-F77 HydrophobicContact SD-CE2 3.99Å; M71-F77 HydrophobicContact SD-CZ 3.52Å; M71-F77 VanDerWaalsContact SD-CZ 3.52Å; V75-F77 HydrophobicContact CG1-CD1 4.28Å; V75-F77 HydrophobicContact CG1-CE1 3.8Å; V75-F77 HydrophobicContact CG1-CZ 4.38Å; F77-L111 HydrophobicContact CD1-CD1 3.63Å; F77-L111 HydrophobicContact CE1-CD1 3.81Å; F77-L111 HydrophobicContact CE1-CD2 4.21Å; F77-L111 HydrophobicContact CG-CD1 4.45Å
78I94.9Very high91.7Very high0 Ų048.3 Ų48.30%025%0.253CS..EExtended strand (participates in β ladder)trans-108.2129.2178.2-55.4-175.9000107.9S14 L15 V17 F42 F45 V65 L76 L85 L88S14-I78 CarbonylContact C-O 3.56Å; S14-I78 WeakPolarHBondContact CA-O 3.28Å; L15-I78 PolarHBondContact N-O 2.88Å; L15-I78 PolarHBondContact O-N 3.26Å; V17-I78 HydrophobicContact CG2-CD1 3.75Å; V17-I78 HydrophobicContact CG2-CG1 4.38Å; F42-I78 HydrophobicContact CD2-CG1 4.31Å; F42-I78 HydrophobicContact CE2-CG1 4.23Å; F42-I78 HydrophobicContact CE2-CG2 4.28Å; F45-I78 HydrophobicContact CD1-CD1 3.88Å; F45-I78 HydrophobicContact CE1-CD1 3.34Å; F45-I78 HydrophobicContact CZ-CD1 3.9Å; V65-I78 HydrophobicContact CB-CG2 3.68Å; V65-I78 HydrophobicContact CG1-CG2 4.07Å; V65-I78 HydrophobicContact CG2-CG2 4.04Å; L76-I78 HydrophobicContact CD2-CD1 4.02Å; L76-I78 HydrophobicContact CD2-CG1 4.04Å; L76-I78 HydrophobicContact CG-CD1 4.38Å; L76-I78 HydrophobicContact CG-CG1 3.87Å; I78-L85 HydrophobicContact CG2-CD2 4.32Å; I78-L88 HydrophobicContact CD1-CD2 4.04Å; I78-L88 HydrophobicContact CG2-CD2 4.22Å
79Q93.5Very high91.9Very high30 Ų3047.6 Ų47.614%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-112.1150.4172.4-164.5-178.70.400110A13 Y66 Q68A13-Q79 WeakPolarHBondContact O-CG 3.45Å; Y66-Q79 VanDerWaalsContact CD1-O 3.28Å; Y66-Q79 WeakPolarHBondContact CD1-O 3.37Å; Y66-Q79 HydrophobicContact CD2-CB 3.98Å; Y66-Q79 HydrophobicContact CE1-CB 4.37Å; Y66-Q79 HydrophobicContact CE1-CG 4.43Å; Y66-Q79 HydrophobicContact CE2-CB 3.54Å; Y66-Q79 HydrophobicContact CE2-CG 3.75Å; Y66-Q79 PolarHBondContact N-O 3.11Å; Y66-Q79 PolarHBondContact O-N 3.21Å; Y66-Q79 WeakPolarHBondContact OH-CG 3.45Å; Y66-Q79 PolarHBondContact OH-NE2 2.95Å; Q68-Q79 HydrophobicContact CB-CB 3.95Å; Q68-Q79 VanDerWaalsContact CD-OE1 3.27Å; Q68-Q79 HydrophobicContact CG-CB 4.45Å; Q68-Q79 VanDerWaalsContact OE1-OE1 3.09Å
80G92.5Very high92.2Very high6 Ų649 Ų496%0.06225%0.253CS..  trans-170.3-178.5-176.800000112.2A13A13-G80 PolarHBondContact O-N 3.04Å
81N92.6Very high92.5Very high68 Ų6845.9 Ų45.936%0.36424%0.242SC..  trans-76157164.977.250000110.1E64 N83 N84 L85E64-N81 PolarHBondContact OE2-ND2 3.41Å; N81-N83 VanDerWaalsContact C-N 3.26Å; N81-N83 PolarHBondContact O-N 2.81Å; N81-N83 WeakPolarHBondContact OD1-CB 3.43Å; N81-N83 PolarHBondContact OD1-N 3.27Å; N81-N84 PolarHBondContact ND2-ND2 3.21Å; N81-N84 PolarHBondContact O-N 2.68Å; N81-N84 VanDerWaalsContact O-N 3.1Å; N81-N84 PolarHBondContact OD1-N 3.3Å; N81-N84 PolarHBondContact OD1-OD1 3.21Å; N81-L85 PolarHBondContact O-N 2.96Å; N81-L85 VanDerWaalsContact O-N 3.1Å
82A92.6Very high92.9Very high71 Ų7142.8 Ų42.859%0.58723%0.226SC*.Hα-helixtrans-56.7-36.4-174.900000113.6E86A82-E86 WeakPolarHBondContact O-CB 3.44Å; A82-E86 PolarHBondContact O-N 3.45Å
83N94.3Very high93.6Very high126 Ų12637.2 Ų37.267%0.67420%0.2SC*.Hα-helixtrans-68.5-36.8-179.9-55.3-40.2000112.1N81 E86 V87N81-N83 VanDerWaalsContact C-N 3.26Å; N81-N83 PolarHBondContact O-N 2.81Å; N81-N83 WeakPolarHBondContact OD1-CB 3.43Å; N81-N83 PolarHBondContact OD1-N 3.27Å; N83-E86 PolarHBondContact O-N 3.16Å; N83-V87 WeakPolarHBondContact O-CG2 3.13Å; N83-V87 PolarHBondContact O-N 3.41Å; N83-V87 VanDerWaalsContact O-N 3.08Å
84N94.9Very high94.1Very high13 Ų1336.5 Ų36.57%0.0719%0.188CC..Hα-helixtrans-73.6-42.3179.5-64.2-13.4000110.8A61 E64 V65 N81 E86 V87 L88A61-N84 HydrophobicContact CB-CB 3.94Å; E64-N84 WeakPolarHBondContact CB-ND2 3.5Å; E64-N84 PolarHBondContact OE2-ND2 3.44Å; V65-N84 HydrophobicContact CG1-CB 4.07Å; N81-N84 PolarHBondContact ND2-ND2 3.21Å; N81-N84 PolarHBondContact O-N 2.68Å; N81-N84 VanDerWaalsContact O-N 3.1Å; N81-N84 PolarHBondContact OD1-N 3.3Å; N81-N84 PolarHBondContact OD1-OD1 3.21Å; N84-E86 VanDerWaalsContact C-N 3.28Å; N84-E86 PolarHBondContact O-N 3.22Å; N84-V87 WeakPolarHBondContact O-CB 3.47Å; N84-V87 PolarHBondContact O-N 2.93Å; N84-L88 WeakPolarHBondContact O-CD1 3.27Å; N84-L88 PolarHBondContact O-N 2.97Å
85L94.6Very high94.1Very high1 Ų139.1 Ų39.11%0.00520%0.195CC..Hα-helixtrans-62.5-38.3172.8-62.6-174.2000111.2A13 L15 V65 I78 N81 V87 L88 R89A13-L85 VanDerWaalsContact O-CD1 3.26Å; A13-L85 WeakPolarHBondContact O-CD1 3.38Å; L15-L85 HydrophobicContact CB-CD1 4.34Å; L15-L85 HydrophobicContact CB-CD2 3.95Å; L15-L85 HydrophobicContact CD2-CD2 4.43Å; V65-L85 HydrophobicContact CG1-CD2 4.17Å; I78-L85 HydrophobicContact CG2-CD2 4.32Å; N81-L85 PolarHBondContact O-N 2.96Å; N81-L85 VanDerWaalsContact O-N 3.1Å; L85-V87 VanDerWaalsContact C-N 3.3Å; L85-V87 PolarHBondContact O-N 3.15Å; L85-L88 CarbonylContact O-C 3.55Å; L85-L88 WeakPolarHBondContact O-CA 3.3Å; L85-L88 WeakPolarHBondContact O-CB 3.4Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-R89 WeakPolarHBondContact O-CG 3.1Å; L85-R89 PolarHBondContact O-N 3.3Å
86E95.3Very high94.1Very high85 Ų8538.8 Ų38.840%0.39719%0.194SC..Hα-helixtrans-62.1-36.5174-170.457-151.400112.6A82 N83 N84 L88 R89 E90A82-E86 WeakPolarHBondContact O-CB 3.44Å; A82-E86 PolarHBondContact O-N 3.45Å; N83-E86 PolarHBondContact O-N 3.16Å; N84-E86 VanDerWaalsContact C-N 3.28Å; N84-E86 PolarHBondContact O-N 3.22Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 IonicContact OE2-CZ 2.7Å; E86-R89 IonicContact OE2-NE 3.4Å; E86-R89 IonicContact OE2-NH1 2.79Å; E86-R89 PolarHBondContact OE2-NH1 2.91Å; E86-E90 WeakPolarHBondContact O-CB 3.26Å; E86-E90 PolarHBondContact O-N 3.23Å
87V96.8Very high94.2Very high13 Ų1339.5 Ų39.58%0.07920%0.198CC..Hα-helixtrans-66.9-34171.6169.70000112.1R57 L58 A61 N83 N84 L85 A91R57-V87 HydrophobicContact CB-CG1 4.23Å; R57-V87 HydrophobicContact CB-CG2 4.28Å; L58-V87 HydrophobicContact CB-CG1 4.24Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; A61-V87 HydrophobicContact CB-CB 3.8Å; A61-V87 HydrophobicContact CB-CG1 3.64Å; N83-V87 WeakPolarHBondContact O-CG2 3.13Å; N83-V87 PolarHBondContact O-N 3.41Å; N83-V87 VanDerWaalsContact O-N 3.08Å; N84-V87 WeakPolarHBondContact O-CB 3.47Å; N84-V87 PolarHBondContact O-N 2.93Å; L85-V87 VanDerWaalsContact C-N 3.3Å; L85-V87 PolarHBondContact O-N 3.15Å; V87-A91 WeakPolarHBondContact O-CB 3.28Å; V87-A91 PolarHBondContact O-N 3.23Å
88L96.7Very high94.2Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-67.1-40.5171.5-89.569.9000111.4L15 F45 A61 M62 V65 I78 N84 L85 E86 A91 W92 L97L15-L88 HydrophobicContact CD2-CB 3.79Å; L15-L88 HydrophobicContact CD2-CD2 4.01Å; F45-L88 HydrophobicContact CE1-CD2 4.38Å; A61-L88 HydrophobicContact CB-CD1 4.02Å; M62-L88 HydrophobicContact CE-CD1 3.7Å; M62-L88 HydrophobicContact CE-CD2 3.99Å; M62-L88 HydrophobicContact CE-CG 3.62Å; M62-L88 HydrophobicContact SD-CD1 4.48Å; V65-L88 HydrophobicContact CG1-CD1 4.23Å; I78-L88 HydrophobicContact CD1-CD2 4.04Å; I78-L88 HydrophobicContact CG2-CD2 4.22Å; N84-L88 WeakPolarHBondContact O-CD1 3.27Å; N84-L88 PolarHBondContact O-N 2.97Å; L85-L88 CarbonylContact O-C 3.55Å; L85-L88 WeakPolarHBondContact O-CA 3.3Å; L85-L88 WeakPolarHBondContact O-CB 3.4Å; L85-L88 PolarHBondContact O-N 3.38Å; E86-L88 VanDerWaalsContact C-N 3.34Å; L88-A91 PolarHBondContact O-N 2.92Å; L88-W92 WeakPolarHBondContact O-CB 3.46Å; L88-W92 PolarHBondContact O-N 3.37Å; L88-L97 HydrophobicContact CG-CD1 4.46Å
89R95.9Very high94.1Very high36 Ų3642 Ų4214%0.13621%0.213CC..Hα-helixtrans-61.2-48.6172.2-60.7-174.3-162.291.810.1110.9L15 L85 E86 A91 W92 M93 D110 V119L15-R89 HydrophobicContact CD1-CG 4.25Å; L85-R89 WeakPolarHBondContact O-CG 3.1Å; L85-R89 PolarHBondContact O-N 3.3Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 IonicContact OE2-CZ 2.7Å; E86-R89 IonicContact OE2-NE 3.4Å; E86-R89 IonicContact OE2-NH1 2.79Å; E86-R89 PolarHBondContact OE2-NH1 2.91Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 3.29Å; R89-W92 PolarHBondContact O-N 2.86Å; R89-M93 HydrophobicContact CB-CE 4.37Å; R89-M93 WeakPolarHBondContact O-CB 3.41Å; R89-M93 VanDerWaalsContact O-CG 3.28Å; R89-M93 WeakPolarHBondContact O-CG 3.4Å; R89-M93 PolarHBondContact O-N 3.43Å; R89-D110 IonicContact CZ-OD1 3.29Å; R89-D110 VanDerWaalsContact CZ-OD1 3.31Å; R89-D110 IonicContact CZ-OD2 2.58Å; R89-D110 VanDerWaalsContact NE-CG 3.34Å; R89-D110 IonicContact NE-OD1 3.1Å; R89-D110 PolarHBondContact NE-OD1 3.2Å; R89-D110 VanDerWaalsContact NE-OD1 3.13Å; R89-D110 IonicContact NE-OD2 2.79Å; R89-D110 PolarHBondContact NE-OD2 3.07Å; R89-D110 IonicContact NH2-OD1 3.1Å; R89-D110 PolarHBondContact NH2-OD1 3.33Å; R89-D110 IonicContact NH2-OD2 3.62Å; R89-V119 HydrophobicContact CB-CG1 4.35Å; R89-V119 HydrophobicContact CG-CG2 4.03Å
90E95.2Very high94.1Very high33 Ų3340.9 Ų40.915%0.15421%0.209CC..Hα-helixtrans-59.8-39.7178.4-170.5179.6163.200112.4R57 E86 R94R57-E90 IonicContact CZ-OE2 3.46Å; R57-E90 IonicContact NH1-OE1 2.74Å; R57-E90 PolarHBondContact NH1-OE1 2.8Å; R57-E90 IonicContact NH1-OE2 3.11Å; R57-E90 PolarHBondContact NH1-OE2 3.12Å; R57-E90 IonicContact NH2-OE2 3.94Å; R57-E90 PolarHBondContact NH2-OE2 2.92Å; E86-E90 WeakPolarHBondContact O-CB 3.26Å; E86-E90 PolarHBondContact O-N 3.23Å; E90-R94 WeakPolarHBondContact O-CG 2.78Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 2.77Å; E90-R94 IonicContact OE1-NH1 2.68Å; E90-R94 PolarHBondContact OE1-NH1 3.16Å; E90-R94 IonicContact OE1-NH2 3.13Å; E90-R94 PolarHBondContact OE1-NH2 3.1Å
91A95.4Very high94Very high3 Ų347.4 Ų47.43%0.02524%0.235CC..Hα-helixtrans-69.7-40.717500000112.7L58 V87 L88 R89 R94 R95 A96 L97L58-A91 HydrophobicContact CD1-CB 3.8Å; L58-A91 HydrophobicContact CD2-CB 4.01Å; L58-A91 HydrophobicContact CG-CB 4.46Å; V87-A91 WeakPolarHBondContact O-CB 3.28Å; V87-A91 PolarHBondContact O-N 3.23Å; L88-A91 PolarHBondContact O-N 2.92Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 3.29Å; A91-R94 PolarHBondContact O-N 3.36Å; A91-R95 PolarHBondContact O-N 2.98Å; A91-A96 PolarHBondContact O-N 2.88Å; A91-L97 HydrophobicContact CB-CB 4.06Å; A91-L97 HydrophobicContact CB-CD1 4.04Å; A91-L97 PolarHBondContact O-N 3.3Å; A91-L97 VanDerWaalsContact O-N 3.16Å
92W95.6Very high93.8Very high20 Ų2045.5 Ų45.58%0.07623%0.231CC..Hα-helixtrans-64.3-48.2174.6169.3-108.6000111.9L88 R89 R94 R95 L97 I105 V108 V119 Q121L88-W92 WeakPolarHBondContact O-CB 3.46Å; L88-W92 PolarHBondContact O-N 3.37Å; R89-W92 PolarHBondContact O-N 2.86Å; W92-R94 PolarHBondContact O-N 2.63Å; W92-R95 PolarHBondContact O-N 3.28Å; W92-L97 HydrophobicContact CB-CD2 4.06Å; W92-I105 HydrophobicContact CE3-CB 4.46Å; W92-I105 HydrophobicContact CE3-CG2 3.79Å; W92-I105 HydrophobicContact CH2-CB 4.45Å; W92-I105 HydrophobicContact CH2-CG2 3.8Å; W92-I105 HydrophobicContact CZ3-CB 3.74Å; W92-I105 HydrophobicContact CZ3-CG2 3.26Å; W92-V108 HydrophobicContact CB-CB 4.17Å; W92-V108 HydrophobicContact CB-CG1 4.43Å; W92-V108 HydrophobicContact CB-CG2 4.05Å; W92-V108 HydrophobicContact CD2-CB 3.79Å; W92-V108 HydrophobicContact CD2-CG2 3.44Å; W92-V108 VanDerWaalsContact CD2-CG2 3.44Å; W92-V108 HydrophobicContact CE3-CB 4.48Å; W92-V108 HydrophobicContact CE3-CG2 3.64Å; W92-V108 HydrophobicContact CG-CB 3.61Å; W92-V108 HydrophobicContact CG-CG1 4.34Å; W92-V108 HydrophobicContact CG-CG2 3.63Å; W92-V108 HydrophobicContact CZ3-CG2 4.32Å; W92-V119 PolarHBondContact NE1-O 3.29Å; W92-Q121 HydrophobicContact CZ2-CB 4.19Å; W92-Q121 PolarHBondContact O-NE2 3.27Å; W92-Q121 VanDerWaalsContact O-NE2 3.17Å
93M93.9Very high93.8Very high65 Ų6543.6 Ų43.632%0.3221%0.21SC..Hα-helixtrans-53.8-42.1177.3-76.4-168.7-73.300111.1R89 V119 P120 S122R89-M93 HydrophobicContact CB-CE 4.37Å; R89-M93 WeakPolarHBondContact O-CB 3.41Å; R89-M93 VanDerWaalsContact O-CG 3.28Å; R89-M93 WeakPolarHBondContact O-CG 3.4Å; R89-M93 PolarHBondContact O-N 3.43Å; M93-V119 HydrophobicContact CG-CG1 3.58Å; M93-V119 HydrophobicContact SD-CG1 4.17Å; M93-P120 WeakPolarHBondContact CG-O 3.39Å; M93-S122 WeakPolarHBondContact O-CB 3.06Å; M93-S122 PolarHBondContact O-N 3.24Å
94R91.7Very high93.7Very high112 Ų11240.5 Ų40.542%0.42319%0.193SC..THydrogen-bonded Turntrans-87.77.5-179.8-65.3-170.9-171.5132.515.4115.5E90 A91 W92 A96E90-R94 WeakPolarHBondContact O-CG 2.78Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 2.77Å; E90-R94 IonicContact OE1-NH1 2.68Å; E90-R94 PolarHBondContact OE1-NH1 3.16Å; E90-R94 IonicContact OE1-NH2 3.13Å; E90-R94 PolarHBondContact OE1-NH2 3.1Å; A91-R94 PolarHBondContact O-N 3.36Å; W92-R94 PolarHBondContact O-N 2.63Å; R94-A96 PolarHBondContact O-N 2.77Å
95R91.2Very high93.7Very high103 Ų10340.8 Ų40.839%0.38919%0.194SC..THydrogen-bonded Turntrans55.227.4-173.8-72.3170.5168.4164.86.2114A91 W92 Q121 S122 Q123 I125A91-R95 PolarHBondContact O-N 2.98Å; W92-R95 PolarHBondContact O-N 3.28Å; R95-Q121 HydrophobicContact CG-CG 3.59Å; R95-S122 PolarHBondContact NE-O 3.36Å; R95-S122 PolarHBondContact NH1-O 2.74Å; R95-Q123 PolarHBondContact NH1-O 3.28Å; R95-I125 HydrophobicContact CB-CD1 4.31Å; R95-I125 HydrophobicContact CB-CG1 4.1Å; R95-I125 HydrophobicContact CB-CG2 4.19Å; R95-I125 HydrophobicContact CG-CG1 4.46Å
96A92.1Very high93.6Very high13 Ų1346.9 Ų46.911%0.10722%0.221CC..  trans-97.2-6.917700000113.2A91 R94 E129A91-A96 PolarHBondContact O-N 2.88Å; R94-A96 PolarHBondContact O-N 2.77Å; A96-E129 HydrophobicContact CB-CG 4.22Å
97L94.3Very high93.6Very high15 Ų1544.1 Ų44.18%0.07921%0.212CC..PPolyproline II helixtrans-79.9117.6175.1-165.874.1000109.9F45 N49 L58 M62 L88 A91 W92 I105 V108F45-L97 HydrophobicContact CE2-CD1 4.39Å; F45-L97 HydrophobicContact CE2-CD2 4.21Å; F45-L97 HydrophobicContact CE2-CG 4.18Å; F45-L97 HydrophobicContact CZ-CD1 3.96Å; F45-L97 HydrophobicContact CZ-CD2 4.11Å; F45-L97 HydrophobicContact CZ-CG 4.19Å; N49-L97 WeakPolarHBondContact OD1-CD1 3.47Å; L58-L97 HydrophobicContact CD1-CD1 4.16Å; M62-L97 HydrophobicContact CE-CD1 3.56Å; L88-L97 HydrophobicContact CG-CD1 4.46Å; A91-L97 HydrophobicContact CB-CB 4.06Å; A91-L97 HydrophobicContact CB-CD1 4.04Å; A91-L97 PolarHBondContact O-N 3.3Å; A91-L97 VanDerWaalsContact O-N 3.16Å; W92-L97 HydrophobicContact CB-CD2 4.06Å; L97-I105 HydrophobicContact CD2-CD1 3.99Å; L97-I105 HydrophobicContact CG-CD1 4.08Å; L97-V108 HydrophobicContact CD2-CG2 4.05Å
98R93.4Very high93.6Very high29 Ų2943.5 Ų43.511%0.10921%0.209CC..PPolyproline II helixtrans-80.7140.6-178.6-72.5178.9159.2-120.9-6.9112Q48 N49 S133 D137Q48-R98 HydrophobicContact CB-CB 4.09Å; Q48-R98 VanDerWaalsContact O-CD 3.29Å; Q48-R98 WeakPolarHBondContact O-CD 3.11Å; N49-R98 PolarHBondContact ND2-O 3.12Å; N49-R98 PolarHBondContact OD1-N 3.11Å; R98-S133 PolarHBondContact NH2-O 3.41Å; R98-S133 PolarHBondContact NH2-OG 3.05Å; R98-D137 IonicContact CZ-OD1 2.68Å; R98-D137 IonicContact CZ-OD2 2.65Å; R98-D137 VanDerWaalsContact CZ-OD2 3.29Å; R98-D137 IonicContact NH1-OD1 2.82Å; R98-D137 PolarHBondContact NH1-OD1 3.46Å; R98-D137 IonicContact NH1-OD2 3.13Å; R98-D137 PolarHBondContact NH1-OD2 3.22Å; R98-D137 VanDerWaalsContact NH1-OD2 3.1Å; R98-D137 IonicContact NH2-OD1 2.76Å; R98-D137 IonicContact NH2-OD2 3.5Å; R98-D137 PolarHBondContact NH2-OD2 3.28Å
99S93.7Very high93.4Very high41 Ų4143.5 Ų43.529%0.28721%0.209SC..PPolyproline II helixtrans-75.5157.8171.4-490000112.2F103 I105S99-F103 WeakPolarHBondContact CB-O 3.37Å; S99-I105 PolarHBondContact OG-N 3.1Å
100P94.1Very high93.2Very high6 Ų643.7 Ų43.74%0.03921%0.212CC..PPolyproline II helixtrans-67.1159.8164.6-822.3000111.7F19 I41 D44 F45 G102 F103F19-P100 HydrophobicContact CD1-CG 4.19Å; F19-P100 HydrophobicContact CE1-CG 3.55Å; F19-P100 HydrophobicContact CE2-CG 4.31Å; F19-P100 HydrophobicContact CZ-CG 3.61Å; I41-P100 HydrophobicContact CG2-CB 4.4Å; I41-P100 HydrophobicContact CG2-CG 3.95Å; D44-P100 HydrophobicContact CB-CB 4.36Å; D44-P100 VanDerWaalsContact OD2-CA 3.24Å; D44-P100 WeakPolarHBondContact OD2-CA 3.48Å; F45-P100 HydrophobicContact CB-CG 4.08Å; F45-P100 HydrophobicContact CD2-CG 4.42Å; P100-G102 PolarHBondContact O-N 2.93Å; P100-F103 HydrophobicContact CB-CB 4.41Å; P100-F103 HydrophobicContact CB-CD2 4.19Å; P100-F103 HydrophobicContact CG-CB 4.29Å; P100-F103 PolarHBondContact O-N 3.34Å; P100-F103 VanDerWaalsContact O-O 3.11Å
101K90Very high92.8Very high142 Ų14243.2 Ų43.262%0.61721%0.211SC*.THydrogen-bonded Turntrans-57.5133.6174.3-59.7-170.2-165.580.20111.4D44 F103D44-K101 IonicContact OD1-NZ 3.67Å; D44-K101 PolarHBondContact OD1-NZ 3.49Å; D44-K101 PolarHBondContact OD2-N 2.99Å; K101-F103 WeakPolarHBondContact O-CD2 3.16Å; K101-F103 PolarHBondContact O-N 3.33Å
102G89Confident92Very high28 Ų2846.1 Ų46.129%0.28923%0.231SC..THydrogen-bonded Turntrans74.85.6179.500000115.1D22 P100D22-G102 PolarHBondContact N-O 3.16Å; P100-G102 PolarHBondContact O-N 2.93Å
103F91.9Very high90.8Very high32 Ų3251 Ų5114%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-130.3154.3-179.8-68.7-78.6000111.4F19 G20 P36 I41 L74 S99 P100 K101F19-F103 HydrophobicContact CB-CB 4.2Å; F19-F103 HydrophobicContact CB-CD1 3.91Å; F19-F103 HydrophobicContact CB-CG 4.35Å; F19-F103 HydrophobicContact CD1-CB 4.28Å; F19-F103 HydrophobicContact CG-CB 4.34Å; G20-F103 WeakPolarHBondContact O-CA 3.2Å; P36-F103 HydrophobicContact CG-CE2 3.98Å; P36-F103 HydrophobicContact CG-CZ 3.96Å; I41-F103 HydrophobicContact CD1-CE2 3.95Å; I41-F103 HydrophobicContact CD1-CZ 3.79Å; I41-F103 HydrophobicContact CG1-CE2 3.96Å; I41-F103 HydrophobicContact CG1-CZ 4.32Å; L74-F103 HydrophobicContact CD1-CE1 4.26Å; L74-F103 HydrophobicContact CD2-CE1 4.04Å; S99-F103 WeakPolarHBondContact CB-O 3.37Å; P100-F103 HydrophobicContact CB-CB 4.41Å; P100-F103 HydrophobicContact CB-CD2 4.19Å; P100-F103 HydrophobicContact CG-CB 4.29Å; P100-F103 PolarHBondContact O-N 3.34Å; P100-F103 VanDerWaalsContact O-O 3.11Å; K101-F103 WeakPolarHBondContact O-CD2 3.16Å; K101-F103 PolarHBondContact O-N 3.33Å
104I92.6Very high89.8Confident60 Ų6054.7 Ų54.731%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-124130.7170.450.4176.9000109.8F19 G20 D22 K106F19-I104 CarbonylContact C-O 3.51Å; F19-I104 VanDerWaalsContact CA-O 3.31Å; F19-I104 WeakPolarHBondContact CA-O 3.35Å; G20-I104 PolarHBondContact N-O 2.96Å; G20-I104 PolarHBondContact O-N 3.32Å; D22-I104 HydrophobicContact CB-CG2 4.27Å; I104-K106 HydrophobicContact CD1-CD 4.38Å; I104-K106 VanDerWaalsContact CD1-NZ 3.34Å; I104-K106 HydrophobicContact CG1-CD 4.46Å; I104-K106 PolarHBondContact O-N 3.45Å
105I94.4Very high89.3Confident19 Ų1956.2 Ų56.210%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-69.4116.4174.8-57158.6000108.6V17 F19 F45 W92 L97 S99 V108V17-I105 HydrophobicContact CG1-CG1 4.13Å; V17-I105 HydrophobicContact CG1-CG2 3.87Å; F19-I105 HydrophobicContact CD1-CB 4.46Å; F19-I105 HydrophobicContact CD1-CG1 3.8Å; F19-I105 HydrophobicContact CE1-CG1 3.59Å; F45-I105 HydrophobicContact CE2-CD1 4.17Å; W92-I105 HydrophobicContact CE3-CB 4.46Å; W92-I105 HydrophobicContact CE3-CG2 3.79Å; W92-I105 HydrophobicContact CH2-CB 4.45Å; W92-I105 HydrophobicContact CH2-CG2 3.8Å; W92-I105 HydrophobicContact CZ3-CB 3.74Å; W92-I105 HydrophobicContact CZ3-CG2 3.26Å; L97-I105 HydrophobicContact CD2-CD1 3.99Å; L97-I105 HydrophobicContact CG-CD1 4.08Å; S99-I105 PolarHBondContact OG-N 3.1Å; I105-V108 HydrophobicContact CG2-CG2 3.75Å
106K93.5Very high89.1Confident129 Ų12953.7 Ų53.756%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-88.3-38.2177-64.8-67.8-170.3178.40111.8V18 I104V18-K106 HydrophobicContact CG1-CB 4.45Å; V18-K106 PolarHBondContact O-N 2.67Å; I104-K106 HydrophobicContact CD1-CD 4.38Å; I104-K106 VanDerWaalsContact CD1-NZ 3.34Å; I104-K106 HydrophobicContact CG1-CD 4.46Å; I104-K106 PolarHBondContact O-N 3.45Å
107A94.2Very high89Confident27 Ų2756 Ų5622%0.22331%0.312CS..EExtended strand (participates in β ladder)trans-153.3154.4177.800000111.9V18 M116V18-A107 HydrophobicContact CB-CB 4.25Å; V18-A107 HydrophobicContact CG2-CB 4.4Å; V18-A107 PolarHBondContact N-O 3.46Å; V18-A107 PolarHBondContact O-N 2.74Å; A107-M116 HydrophobicContact CB-CE 4.12Å
108V95.9Very high88.9Confident0 Ų059.8 Ų59.80%034%0.337CS..EExtended strand (participates in β ladder)trans-128.4144.7166.6178.20000107.4L15 A16 V17 W92 L97 I105 M116 V119L15-V108 HydrophobicContact CD1-CG1 3.96Å; L15-V108 HydrophobicContact CD2-CG1 3.7Å; L15-V108 HydrophobicContact CG-CG1 3.85Å; A16-V108 CarbonylContact O-C 3.57Å; A16-V108 WeakPolarHBondContact O-CA 3.45Å; V17-V108 HydrophobicContact CG1-CG2 4.26Å; V17-V108 HydrophobicContact CG2-CG1 4.49Å; V17-V108 HydrophobicContact CG2-CG2 4.27Å; W92-V108 HydrophobicContact CB-CB 4.17Å; W92-V108 HydrophobicContact CB-CG1 4.43Å; W92-V108 HydrophobicContact CB-CG2 4.05Å; W92-V108 HydrophobicContact CD2-CB 3.79Å; W92-V108 HydrophobicContact CD2-CG2 3.44Å; W92-V108 VanDerWaalsContact CD2-CG2 3.44Å; W92-V108 HydrophobicContact CE3-CB 4.48Å; W92-V108 HydrophobicContact CE3-CG2 3.64Å; W92-V108 HydrophobicContact CG-CB 3.61Å; W92-V108 HydrophobicContact CG-CG1 4.34Å; W92-V108 HydrophobicContact CG-CG2 3.63Å; W92-V108 HydrophobicContact CZ3-CG2 4.32Å; L97-V108 HydrophobicContact CD2-CG2 4.05Å; I105-V108 HydrophobicContact CG2-CG2 3.75Å; V108-M116 VanDerWaalsContact C-CE 3.44Å; V108-V119 PolarHBondContact O-N 3.01Å
109G94.2Very high88.9Confident0 Ų059.2 Ų59.20%034%0.337CS..EExtended strand (participates in β ladder)trans-168.8152.2-172.400000114.2L15 A16 S117L15-G109 WeakPolarHBondContact CD1-O 3.4Å; A16-G109 PolarHBondContact N-O 2.85Å; A16-G109 PolarHBondContact O-N 2.97Å; G109-S117 CarbonylContact C-O 3.56Å; G109-S117 WeakPolarHBondContact CA-O 3.11Å
110D91.4Very high88.9Confident40 Ų4062.3 Ų62.321%0.21436%0.356CS..EExtended strand (participates in β ladder)trans-81.9149.4177.2-72.3-59.7000111.9L15 R89 M116 S117L15-D110 WeakPolarHBondContact CD1-OD1 3.38Å; R89-D110 IonicContact CZ-OD1 3.29Å; R89-D110 VanDerWaalsContact CZ-OD1 3.31Å; R89-D110 IonicContact CZ-OD2 2.58Å; R89-D110 VanDerWaalsContact NE-CG 3.34Å; R89-D110 IonicContact NE-OD1 3.1Å; R89-D110 PolarHBondContact NE-OD1 3.2Å; R89-D110 VanDerWaalsContact NE-OD1 3.13Å; R89-D110 IonicContact NE-OD2 2.79Å; R89-D110 PolarHBondContact NE-OD2 3.07Å; R89-D110 IonicContact NH2-OD1 3.1Å; R89-D110 PolarHBondContact NH2-OD1 3.33Å; R89-D110 IonicContact NH2-OD2 3.62Å; D110-M116 CarbonylContact O-C 3.45Å; D110-M116 WeakPolarHBondContact O-CA 3.32Å; D110-S117 PolarHBondContact N-O 3.43Å; D110-S117 PolarHBondContact O-N 3.06Å; D110-S117 PolarHBondContact O-OG 2.94Å
111L85.7Confident88.8Confident23 Ų2365.2 Ų65.212%0.1237%0.369CS..EExtended strand (participates in β ladder)trans-100.8103.8-174.7-69.2172.2000111.8L10 A16 F77 M116L10-L111 HydrophobicContact CD1-CD1 4.31Å; L10-L111 HydrophobicContact CD1-CD2 4.48Å; L10-L111 HydrophobicContact CD2-CD1 4.07Å; A16-L111 HydrophobicContact CB-CD1 4.24Å; A16-L111 HydrophobicContact CB-CD2 3.88Å; A16-L111 HydrophobicContact CB-CG 4.08Å; F77-L111 HydrophobicContact CD1-CD1 3.63Å; F77-L111 HydrophobicContact CE1-CD1 3.81Å; F77-L111 HydrophobicContact CE1-CD2 4.21Å; F77-L111 HydrophobicContact CG-CD1 4.45Å; L111-M116 HydrophobicContact CD2-CB 4.24Å
112S78.4Confident88.8Confident65 Ų6560.7 Ų60.746%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-76.1151156.41790000109.1V114 Q115S112-V114 PolarHBondContact O-N 2.84Å; S112-Q115 WeakPolarHBondContact CA-O 3.43Å; S112-Q115 VanDerWaalsContact CB-O 3.25Å; S112-Q115 WeakPolarHBondContact CB-O 3.44Å; S112-Q115 PolarHBondContact N-O 3.44Å; S112-Q115 PolarHBondContact O-N 2.85Å
113P71.4Confident88.6Confident123 Ų12366.6 Ų66.680%0.79938%0.375SS*.THydrogen-bonded Turntrans-57-11.3-178.4-28.336.5000116.7
114V72Confident88.3Confident142 Ų14272.1 Ų72.186%0.86140%0.4SS*.THydrogen-bonded Turntrans-123.3-18.2-179.2-173.30000112.6S112S112-V114 PolarHBondContact O-N 2.84Å
115Q81.1Confident88Confident144 Ų14472.3 Ų72.367%0.67340%0.401SS*.EExtended strand (participates in β ladder)trans-154.9146.1-169.8-168.7177.23.900112.5S112S112-Q115 WeakPolarHBondContact CA-O 3.43Å; S112-Q115 VanDerWaalsContact CB-O 3.25Å; S112-Q115 WeakPolarHBondContact CB-O 3.44Å; S112-Q115 PolarHBondContact N-O 3.44Å; S112-Q115 PolarHBondContact O-N 2.85Å
116M87.2Confident87.7Confident50 Ų5074 Ų7425%0.24641%0.413CS..EExtended strand (participates in β ladder)trans-82.9120.4165.5178.5-174.8175.600109.6A16 V18 A107 V108 D110 L111 P118A16-M116 HydrophobicContact CB-CE 4.02Å; A16-M116 HydrophobicContact CB-CG 4.27Å; A16-M116 HydrophobicContact CB-SD 3.91Å; V18-M116 HydrophobicContact CG2-CE 3.85Å; V18-M116 HydrophobicContact CG2-SD 3.85Å; A107-M116 HydrophobicContact CB-CE 4.12Å; V108-M116 VanDerWaalsContact C-CE 3.44Å; D110-M116 CarbonylContact O-C 3.45Å; D110-M116 WeakPolarHBondContact O-CA 3.32Å; L111-M116 HydrophobicContact CD2-CB 4.24Å; M116-P118 WeakPolarHBondContact O-CD 3.26Å
117S89.8Confident87.5Confident61 Ų6170.2 Ų70.243%0.42740%0.398SS..EExtended strand (participates in β ladder)trans-89.2109.916952.70000109.2G109 D110G109-S117 CarbonylContact C-O 3.56Å; G109-S117 WeakPolarHBondContact CA-O 3.11Å; D110-S117 PolarHBondContact N-O 3.43Å; D110-S117 PolarHBondContact O-N 3.06Å; D110-S117 PolarHBondContact O-OG 2.94Å
118P92.5Very high87.3Confident95 Ų9570.4 Ų70.462%0.61740%0.4SS*.EExtended strand (participates in β ladder)trans-68.2138.8-17628.6-34.8000111.3M116M116-P118 WeakPolarHBondContact O-CD 3.26Å
119V94.6Very high87.1Confident17 Ų1771.8 Ų71.810%0.10341%0.407CS..PPolyproline II helixtrans-81.2121169.4177.30000107.5R89 W92 M93 V108R89-V119 HydrophobicContact CB-CG1 4.35Å; R89-V119 HydrophobicContact CG-CG2 4.03Å; W92-V119 PolarHBondContact NE1-O 3.29Å; M93-V119 HydrophobicContact CG-CG1 3.58Å; M93-V119 HydrophobicContact SD-CG1 4.17Å; V108-V119 PolarHBondContact O-N 3.01Å
120P92.5Very high87Confident105 Ų10572.4 Ų72.468%0.68241%0.41SS*.PPolyproline II helixtrans-63.4148.9179.827.5-34.9000110.6M93M93-P120 WeakPolarHBondContact CG-O 3.39Å
121Q92.6Very high87Confident67 Ų6770.5 Ų70.531%0.31340%0.4SS..  trans-108.8138.6179.2-177.7170.488.400110.9W92 R95 Q123W92-Q121 HydrophobicContact CZ2-CB 4.19Å; W92-Q121 PolarHBondContact O-NE2 3.27Å; W92-Q121 VanDerWaalsContact O-NE2 3.17Å; R95-Q121 HydrophobicContact CG-CG 3.59Å; Q121-Q123 PolarHBondContact O-N 2.9Å
122S89.2Confident87.4Confident47 Ų4769.4 Ų69.433%0.32939%0.394SS..  trans-59.7134174.6178.40000111.2M93 R95 F124M93-S122 WeakPolarHBondContact O-CB 3.06Å; M93-S122 PolarHBondContact O-N 3.24Å; R95-S122 PolarHBondContact NE-O 3.36Å; R95-S122 PolarHBondContact NH1-O 2.74Å; S122-F124 WeakPolarHBondContact CB-O 3.34Å; S122-F124 PolarHBondContact O-N 2.95Å; S122-F124 PolarHBondContact OG-N 2.65Å; S122-F124 VanDerWaalsContact OG-N 3.07Å; S122-F124 PolarHBondContact OG-O 3.26Å
123Q86.3Confident88Confident152 Ų15267.7 Ų67.771%0.7138%0.382SS*.SBendtrans-64.3-31169-61.7177.43.300111.3R95 Q121R95-Q123 PolarHBondContact NH1-O 3.28Å; Q121-Q123 PolarHBondContact O-N 2.9Å
124F84.3Confident89Confident149 Ų14962 Ų6265%0.65435%0.345SS*.  trans-94.3138.3179.7-55.8-82000112.2S122S122-F124 WeakPolarHBondContact CB-O 3.34Å; S122-F124 PolarHBondContact O-N 2.95Å; S122-F124 PolarHBondContact OG-N 2.65Å; S122-F124 VanDerWaalsContact OG-N 3.07Å; S122-F124 PolarHBondContact OG-O 3.26Å
125I86Confident90Very high64 Ų6455.2 Ų55.233%0.32830%0.304SS..  trans-105.8128.3169.4-41.6-177.6000108.3R95 L127 V130 I161R95-I125 HydrophobicContact CB-CD1 4.31Å; R95-I125 HydrophobicContact CB-CG1 4.1Å; R95-I125 HydrophobicContact CB-CG2 4.19Å; R95-I125 HydrophobicContact CG-CG1 4.46Å; I125-L127 PolarHBondContact O-N 3.28Å; I125-V130 HydrophobicContact CB-CG2 4.03Å; I125-V130 HydrophobicContact CG2-CG2 3.5Å; I125-V130 VanDerWaalsContact CG2-CG2 3.5Å; I125-I161 HydrophobicContact CD1-CD1 4.32Å
126P88.1Confident90.6Very high55 Ų5548.9 Ų48.936%0.35728%0.276SS..  trans-63.8125.3173.4-18.631.3000110.3A128 E129 V130P126-A128 PolarHBondContact O-N 2.94Å; P126-A128 VanDerWaalsContact O-N 3.09Å; P126-E129 HydrophobicContact CB-CG 4.13Å; P126-E129 HydrophobicContact CG-CG 4.24Å; P126-E129 WeakPolarHBondContact O-CB 3.37Å; P126-E129 PolarHBondContact O-N 2.87Å; P126-V130 PolarHBondContact O-N 3.28Å
127L89.4Confident90.7Very high48 Ų4848.3 Ų48.325%0.25127%0.274SS..Hα-helixtrans-52.8-36.1180177.761.2000112.2I125 E129 V130 L131 M154 P164 I168 A172I125-L127 PolarHBondContact O-N 3.28Å; L127-E129 VanDerWaalsContact C-N 3.29Å; L127-E129 PolarHBondContact O-N 2.85Å; L127-V130 PolarHBondContact O-N 3.11Å; L127-L131 HydrophobicContact CD1-CD1 4.08Å; L127-L131 HydrophobicContact CD1-CD2 4.16Å; L127-L131 HydrophobicContact CD1-CG 3.81Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.78Å; L127-L131 HydrophobicContact CG-CG 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.13Å; L127-L131 PolarHBondContact O-N 2.75Å; L127-M154 HydrophobicContact CD1-CE 4.26Å; L127-P164 HydrophobicContact CD1-CB 4.43Å; L127-P164 HydrophobicContact CD1-CG 4.09Å; L127-P164 HydrophobicContact CD2-CB 4.12Å; L127-I168 HydrophobicContact CD2-CG2 3.65Å; L127-A172 HydrophobicContact CD2-CB 3.87Å; L127-A172 HydrophobicContact CG-CB 4.39Å
128A91.9Very high90.9Very high32 Ų3245.5 Ų45.526%0.26425%0.254SS..Hα-helixtrans-55.1-38.1174.400000114P126 C132 L176P126-A128 PolarHBondContact O-N 2.94Å; P126-A128 VanDerWaalsContact O-N 3.09Å; A128-C132 WeakPolarHBondContact O-CB 3.35Å; A128-C132 PolarHBondContact O-N 3.19Å; A128-C132 VanDerWaalsContact O-N 3.15Å; A128-C132 PolarHBondContact O-SG 3.05Å; A128-L176 HydrophobicContact CB-CD2 3.96Å
129E91Very high90.8Very high29 Ų2942.6 Ų42.614%0.13623%0.233CC..Hα-helixtrans-75-41.6177.7-62.2-66.4148.700110.7W54 A96 P126 L127 C132 S133W54-E129 PolarHBondContact NE1-OE2 3.41Å; A96-E129 HydrophobicContact CB-CG 4.22Å; P126-E129 HydrophobicContact CB-CG 4.13Å; P126-E129 HydrophobicContact CG-CG 4.24Å; P126-E129 WeakPolarHBondContact O-CB 3.37Å; P126-E129 PolarHBondContact O-N 2.87Å; L127-E129 VanDerWaalsContact C-N 3.29Å; L127-E129 PolarHBondContact O-N 2.85Å; E129-C132 PolarHBondContact O-N 2.99Å; E129-S133 WeakPolarHBondContact O-CB 3.36Å; E129-S133 PolarHBondContact O-N 3.3Å
130V90.7Very high90.6Very high13 Ų1345.1 Ų45.18%0.07925%0.252CS..Hα-helixtrans-61.2-48.2176.2-175.30000110.9I125 P126 L127 S133 V134 M154 I161I125-V130 HydrophobicContact CB-CG2 4.03Å; I125-V130 HydrophobicContact CG2-CG2 3.5Å; I125-V130 VanDerWaalsContact CG2-CG2 3.5Å; P126-V130 PolarHBondContact O-N 3.28Å; L127-V130 PolarHBondContact O-N 3.11Å; V130-S133 WeakPolarHBondContact O-CB 3.38Å; V130-S133 PolarHBondContact O-N 3.2Å; V130-V134 HydrophobicContact CG1-CG2 4.47Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 2.9Å; V130-M154 HydrophobicContact CG1-CE 3.95Å; V130-I161 HydrophobicContact CG1-CD1 4.39Å
131L92.5Very high90.5Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-62.2-48.7178.9-66.8175.7000111.5L127 S133 V134 I135 L150 M154 L169 A172 L173 L176L127-L131 HydrophobicContact CD1-CD1 4.08Å; L127-L131 HydrophobicContact CD1-CD2 4.16Å; L127-L131 HydrophobicContact CD1-CG 3.81Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.78Å; L127-L131 HydrophobicContact CG-CG 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.13Å; L127-L131 PolarHBondContact O-N 2.75Å; L131-S133 VanDerWaalsContact C-N 3.25Å; L131-S133 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 3.43Å; L131-I135 HydrophobicContact CB-CD1 4.46Å; L131-I135 WeakPolarHBondContact O-CB 3.28Å; L131-I135 VanDerWaalsContact O-CD1 3.31Å; L131-I135 WeakPolarHBondContact O-CD1 3.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.06Å; L131-I135 PolarHBondContact O-N 2.78Å; L131-L150 HydrophobicContact CD2-CD1 4.49Å; L131-L150 HydrophobicContact CD2-CD2 4.07Å; L131-L150 HydrophobicContact CD2-CG 4.39Å; L131-M154 HydrophobicContact CD2-CE 4.5Å; L131-M154 HydrophobicContact CD2-SD 3.66Å; L131-L169 HydrophobicContact CD1-CD1 4.01Å; L131-L169 HydrophobicContact CD2-CD1 3.42Å; L131-L169 VanDerWaalsContact CD2-CD1 3.42Å; L131-L169 HydrophobicContact CG-CD1 4.38Å; L131-A172 HydrophobicContact CD1-CB 3.64Å; L131-L173 HydrophobicContact CD1-CD2 4.32Å; L131-L173 HydrophobicContact CD1-CG 4.42Å; L131-L176 HydrophobicContact CB-CD1 3.91Å; L131-L176 HydrophobicContact CD1-CD1 4.12Å
132C93.5Very high90.3Very high0 Ų046.5 Ų46.50%026%0.259CS..Hα-helixtrans-62.8-34.9176.8-65.40000112W54 A128 E129 S136 I191W54-C132 HydrophobicContact CB-CB 4.31Å; W54-C132 HydrophobicContact CD2-CB 3.37Å; W54-C132 HydrophobicContact CE3-CB 3.72Å; W54-C132 HydrophobicContact CG-CB 3.65Å; W54-C132 HydrophobicContact CH2-CB 4.34Å; W54-C132 HydrophobicContact CZ2-CB 4.04Å; W54-C132 HydrophobicContact CZ3-CB 4.19Å; W54-C132 WeakPolarHBondContact CZ3-O 3.48Å; A128-C132 WeakPolarHBondContact O-CB 3.35Å; A128-C132 PolarHBondContact O-N 3.19Å; A128-C132 VanDerWaalsContact O-N 3.15Å; A128-C132 PolarHBondContact O-SG 3.05Å; E129-C132 PolarHBondContact O-N 2.99Å; C132-S136 WeakPolarHBondContact O-CB 3.5Å; C132-S136 PolarHBondContact O-N 2.71Å; C132-I191 HydrophobicContact CB-CD1 4.34Å; C132-I191 WeakPolarHBondContact O-CD1 3.39Å
133S91.3Very high90.3Very high29 Ų2947.8 Ų47.820%0.20326%0.261CS..Hα-helixtrans-63.7-52.4175.5-168.30000111.7R98 E129 V130 L131 S136 D137R98-S133 PolarHBondContact NH2-O 3.41Å; R98-S133 PolarHBondContact NH2-OG 3.05Å; E129-S133 WeakPolarHBondContact O-CB 3.36Å; E129-S133 PolarHBondContact O-N 3.3Å; V130-S133 WeakPolarHBondContact O-CB 3.38Å; V130-S133 PolarHBondContact O-N 3.2Å; L131-S133 VanDerWaalsContact C-N 3.25Å; L131-S133 PolarHBondContact O-N 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.41Å; S133-S136 PolarHBondContact O-N 2.99Å; S133-D137 PolarHBondContact O-N 3.11Å; S133-D137 VanDerWaalsContact O-N 3.09Å
134V92.1Very high90.4Very high2 Ų245.1 Ų45.11%0.01225%0.251CS..Hα-helixtrans-66.4-44.4-178.5172.80000111.8V130 L131 S136 D137 M138 L150 Y153 M154V130-V134 HydrophobicContact CG1-CG2 4.47Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 2.9Å; L131-V134 PolarHBondContact O-N 3.43Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.15Å; V134-D137 PolarHBondContact O-N 2.63Å; V134-D137 VanDerWaalsContact O-N 3.11Å; V134-M138 HydrophobicContact CG1-CG 4.17Å; V134-M138 HydrophobicContact CG1-SD 3.75Å; V134-M138 WeakPolarHBondContact O-CG 3.24Å; V134-M138 PolarHBondContact O-N 3.1Å; V134-L150 HydrophobicContact CB-CD1 4.05Å; V134-L150 HydrophobicContact CG1-CD1 3.51Å; V134-Y153 HydrophobicContact CB-CD1 4.48Å; V134-Y153 HydrophobicContact CG1-CD1 3.42Å; V134-Y153 VanDerWaalsContact CG1-CD1 3.42Å; V134-Y153 HydrophobicContact CG1-CE1 4.05Å; V134-Y153 HydrophobicContact CG1-CG 4.04Å; V134-Y153 HydrophobicContact CG2-CD1 4.37Å; V134-M154 HydrophobicContact CB-CG 4.49Å; V134-M154 HydrophobicContact CG1-CG 4.32Å; V134-M154 HydrophobicContact CG2-CG 4.07Å
135I93.8Very high90.8Very high0 Ų038 Ų380%022%0.22CC..Hα-helixtrans-58.6-41.5174.1-61.3161.4000109.8L131 D137 N139 V145 L150 L173 I182 I191L131-I135 HydrophobicContact CB-CD1 4.46Å; L131-I135 WeakPolarHBondContact O-CB 3.28Å; L131-I135 VanDerWaalsContact O-CD1 3.31Å; L131-I135 WeakPolarHBondContact O-CD1 3.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.06Å; L131-I135 PolarHBondContact O-N 2.78Å; I135-D137 VanDerWaalsContact C-N 3.3Å; I135-D137 PolarHBondContact O-N 2.81Å; I135-N139 WeakPolarHBondContact O-CB 3.39Å; I135-N139 PolarHBondContact O-N 3.03Å; I135-N139 PolarHBondContact O-OD1 2.83Å; I135-V145 HydrophobicContact CG1-CG1 4.12Å; I135-V145 HydrophobicContact CG2-CG2 4.42Å; I135-L150 HydrophobicContact CD1-CD2 4.44Å; I135-L150 HydrophobicContact CG1-CD1 4.09Å; I135-L150 HydrophobicContact CG1-CD2 4.29Å; I135-L173 HydrophobicContact CD1-CD2 3.92Å; I135-I182 HydrophobicContact CD1-CD1 4.05Å; I135-I182 HydrophobicContact CD1-CG2 4.09Å; I135-I191 HydrophobicContact CB-CD1 3.81Å; I135-I191 HydrophobicContact CB-CG1 4.45Å; I135-I191 HydrophobicContact CG2-CD1 3.65Å; I135-I191 HydrophobicContact CG2-CG1 3.99Å
136S93Very high91.1Very high11 Ų1137.3 Ų37.38%0.07722%0.218CC..Hα-helixtrans-63.1-31.4177.1-176.80000114.2R51 C132 S133 V134 S140R51-S136 PolarHBondContact NH2-O 3.41Å; R51-S136 VanDerWaalsContact NH2-O 3.11Å; C132-S136 WeakPolarHBondContact O-CB 3.5Å; C132-S136 PolarHBondContact O-N 2.71Å; S133-S136 WeakPolarHBondContact O-CB 3.41Å; S133-S136 PolarHBondContact O-N 2.99Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.15Å; S136-S140 PolarHBondContact O-N 3.44Å; S136-S140 PolarHBondContact O-OG 2.82Å
137D90.6Very high91.2Very high38 Ų3835.6 Ų35.620%0.20321%0.206CC..Hα-helixtrans-86.4-42-179.6-68.8-41.7000111.9R51 R98 S133 V134 I135 N139 S140 A141R51-D137 IonicContact CZ-OD1 3.22Å; R51-D137 IonicContact NH1-OD1 3.39Å; R51-D137 PolarHBondContact NH1-OD1 3.1Å; R51-D137 VanDerWaalsContact NH1-OD1 3.1Å; R51-D137 IonicContact NH2-OD1 3.38Å; R51-D137 PolarHBondContact NH2-OD1 2.98Å; R98-D137 IonicContact CZ-OD1 2.68Å; R98-D137 IonicContact CZ-OD2 2.65Å; R98-D137 VanDerWaalsContact CZ-OD2 3.29Å; R98-D137 IonicContact NH1-OD1 2.82Å; R98-D137 PolarHBondContact NH1-OD1 3.46Å; R98-D137 IonicContact NH1-OD2 3.13Å; R98-D137 PolarHBondContact NH1-OD2 3.22Å; R98-D137 VanDerWaalsContact NH1-OD2 3.1Å; R98-D137 IonicContact NH2-OD1 2.76Å; R98-D137 IonicContact NH2-OD2 3.5Å; R98-D137 PolarHBondContact NH2-OD2 3.28Å; S133-D137 PolarHBondContact O-N 3.11Å; S133-D137 VanDerWaalsContact O-N 3.09Å; V134-D137 PolarHBondContact O-N 2.63Å; V134-D137 VanDerWaalsContact O-N 3.11Å; I135-D137 VanDerWaalsContact C-N 3.3Å; I135-D137 PolarHBondContact O-N 2.81Å; D137-N139 VanDerWaalsContact C-N 3.34Å; D137-N139 PolarHBondContact O-N 3.17Å; D137-S140 WeakPolarHBondContact CA-OG 3.21Å; D137-S140 PolarHBondContact O-N 3.09Å; D137-S140 VanDerWaalsContact O-N 3.08Å; D137-S140 PolarHBondContact O-OG 3.38Å; D137-A141 PolarHBondContact O-N 3.29Å
138M92.6Very high91.2Very high2 Ų238.3 Ų38.31%0.0122%0.217CC..Hα-helixtrans-57.5-45.9170.6-67.5176.673.700111.4V134 S140 A141 Q142 I143 V145 A149 L150 Y153V134-M138 HydrophobicContact CG1-CG 4.17Å; V134-M138 HydrophobicContact CG1-SD 3.75Å; V134-M138 WeakPolarHBondContact O-CG 3.24Å; V134-M138 PolarHBondContact O-N 3.1Å; M138-S140 VanDerWaalsContact C-N 3.28Å; M138-S140 PolarHBondContact O-N 3.46Å; M138-A141 CarbonylContact O-C 3.53Å; M138-A141 WeakPolarHBondContact O-CA 3.48Å; M138-A141 PolarHBondContact O-N 3.44Å; M138-Q142 PolarHBondContact O-N 3.06Å; M138-I143 HydrophobicContact CB-CB 4.24Å; M138-I143 HydrophobicContact CE-CG2 3.75Å; M138-I143 PolarHBondContact O-N 3.2Å; M138-V145 HydrophobicContact CB-CG2 3.57Å; M138-V145 HydrophobicContact CE-CB 4.31Å; M138-V145 HydrophobicContact CE-CG1 4.04Å; M138-V145 HydrophobicContact CE-CG2 4.06Å; M138-V145 HydrophobicContact CG-CG2 4.45Å; M138-V145 HydrophobicContact SD-CG1 3.91Å; M138-V145 HydrophobicContact SD-CG2 4.12Å; M138-A149 HydrophobicContact CE-CB 3.83Å; M138-L150 HydrophobicContact SD-CD1 4.31Å; M138-Y153 HydrophobicContact CG-CD1 4.39Å; M138-Y153 HydrophobicContact CG-CD2 3.76Å; M138-Y153 HydrophobicContact CG-CE2 4.06Å; M138-Y153 HydrophobicContact CG-CG 3.93Å; M138-Y153 HydrophobicContact SD-CD2 4.22Å; M138-Y153 HydrophobicContact SD-CG 3.94Å
139N91.8Very high91.1Very high35 Ų3538.1 Ų38.119%0.18722%0.215CC..Hα-helixtrans-58.5-37.1174.2-79.839000112.9I135 D137 A141 Q142 V145 Y189 F190I135-N139 WeakPolarHBondContact O-CB 3.39Å; I135-N139 PolarHBondContact O-N 3.03Å; I135-N139 PolarHBondContact O-OD1 2.83Å; D137-N139 VanDerWaalsContact C-N 3.34Å; D137-N139 PolarHBondContact O-N 3.17Å; N139-A141 VanDerWaalsContact C-N 3.32Å; N139-Q142 PolarHBondContact O-N 3.45Å; N139-V145 VanDerWaalsContact OD1-CG2 3.28Å; N139-V145 WeakPolarHBondContact OD1-CG2 3.36Å; N139-Y189 PolarHBondContact OD1-O 2.69Å; N139-F190 WeakPolarHBondContact ND2-CA 3.29Å; N139-F190 WeakPolarHBondContact ND2-CD1 3.42Å
140S89.6Confident91.1Very high70 Ų7036.7 Ų36.749%0.4921%0.209SC..Hα-helixtrans-75.5-22.1177.465.90000113.7R51 S136 D137 M138 Q142R51-S140 PolarHBondContact NH2-OG 3.41Å; S136-S140 PolarHBondContact O-N 3.44Å; S136-S140 PolarHBondContact O-OG 2.82Å; D137-S140 WeakPolarHBondContact CA-OG 3.21Å; D137-S140 PolarHBondContact O-N 3.09Å; D137-S140 VanDerWaalsContact O-N 3.08Å; D137-S140 PolarHBondContact O-OG 3.38Å; M138-S140 VanDerWaalsContact C-N 3.28Å; M138-S140 PolarHBondContact O-N 3.46Å; S140-Q142 VanDerWaalsContact C-N 3.29Å
141A89.9Confident91Very high59 Ų5937.5 Ų37.549%0.48821%0.214SC..THydrogen-bonded Turntrans-888170.900000113.1D137 M138 N139 I143D137-A141 PolarHBondContact O-N 3.29Å; M138-A141 CarbonylContact O-C 3.53Å; M138-A141 WeakPolarHBondContact O-CA 3.48Å; M138-A141 PolarHBondContact O-N 3.44Å; N139-A141 VanDerWaalsContact C-N 3.32Å; A141-I143 HydrophobicContact CB-CD1 3.88Å; A141-I143 HydrophobicContact CB-CG1 3.93Å; A141-I143 PolarHBondContact O-N 2.94Å
142Q88.1Confident90.7Very high141 Ų14142.6 Ų42.666%0.65924%0.241SC*.THydrogen-bonded Turntrans57.722.5-175.4-60.7175-34.700114.1M138 N139 S140M138-Q142 PolarHBondContact O-N 3.06Å; N139-Q142 PolarHBondContact O-N 3.45Å; S140-Q142 VanDerWaalsContact C-N 3.29Å
143I89.1Confident90.3Very high74 Ų7446.7 Ų46.738%0.37926%0.257SS..  trans-84.7126.7178-58173.7000109.1M138 A141 V145M138-I143 HydrophobicContact CB-CB 4.24Å; M138-I143 HydrophobicContact CE-CG2 3.75Å; M138-I143 PolarHBondContact O-N 3.2Å; A141-I143 HydrophobicContact CB-CD1 3.88Å; A141-I143 HydrophobicContact CB-CG1 3.93Å; A141-I143 PolarHBondContact O-N 2.94Å; I143-V145 PolarHBondContact O-N 3.49Å
144I88.8Confident90Very high96 Ų9645.5 Ų45.549%0.49225%0.248SC..  trans-66122.7174.6-56.6177.3000109.3T146 E187I144-T146 HydrophobicContact CG2-CG2 4.38Å; I144-T146 PolarHBondContact O-N 2.91Å; I144-E187 HydrophobicContact CG2-CB 4.44Å; I144-E187 VanDerWaalsContact CG2-O 3.23Å; I144-E187 WeakPolarHBondContact CG2-O 3.29Å
145V93.6Very high89.5Confident0 Ų047.6 Ų47.60%026%0.263CS..  trans-91.883-175.8-165.70000111I135 M138 N139 I143 L150 G188 Y189I135-V145 HydrophobicContact CG1-CG1 4.12Å; I135-V145 HydrophobicContact CG2-CG2 4.42Å; M138-V145 HydrophobicContact CB-CG2 3.57Å; M138-V145 HydrophobicContact CE-CB 4.31Å; M138-V145 HydrophobicContact CE-CG1 4.04Å; M138-V145 HydrophobicContact CE-CG2 4.06Å; M138-V145 HydrophobicContact CG-CG2 4.45Å; M138-V145 HydrophobicContact SD-CG1 3.91Å; M138-V145 HydrophobicContact SD-CG2 4.12Å; N139-V145 VanDerWaalsContact OD1-CG2 3.28Å; N139-V145 WeakPolarHBondContact OD1-CG2 3.36Å; I143-V145 PolarHBondContact O-N 3.49Å; V145-L150 HydrophobicContact CG1-CB 3.94Å; V145-L150 HydrophobicContact CG1-CD1 4.23Å; V145-L150 HydrophobicContact CG1-CD2 4.34Å; V145-L150 HydrophobicContact CG1-CG 4.41Å; V145-G188 CarbonylContact O-C 3.47Å; V145-G188 WeakPolarHBondContact O-CA 3.47Å; V145-Y189 WeakPolarHBondContact O-CD2 3.41Å; V145-Y189 PolarHBondContact O-N 2.67Å
146T91.8Very high88.8Confident49 Ų4956.1 Ų56.130%0.30130%0.3SS..  trans-75.7168.8163.285.20000110.4I144 E148 A149 L150I144-T146 HydrophobicContact CG2-CG2 4.38Å; I144-T146 PolarHBondContact O-N 2.91Å; T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 WeakPolarHBondContact CB-OE2 3.5Å; T146-E148 PolarHBondContact O-N 3.08Å; T146-E148 PolarHBondContact OG1-N 3.39Å; T146-E148 PolarHBondContact OG1-OE2 3.02Å; T146-A149 PolarHBondContact O-N 2.98Å; T146-A149 WeakPolarHBondContact OG1-CB 3.46Å; T146-A149 PolarHBondContact OG1-N 3.21Å; T146-A149 VanDerWaalsContact OG1-N 3.09Å; T146-L150 VanDerWaalsContact O-CB 3.25Å; T146-L150 WeakPolarHBondContact O-CB 3.32Å; T146-L150 PolarHBondContact O-N 3.41Å
147Q90.4Very high87.8Confident19 Ų1957.6 Ų57.69%0.08931%0.313CS..Hα-helixtrans-68-33179.8-171157.6-21.100111.8V151 Q166 L169 Y189Q147-V151 WeakPolarHBondContact O-CG2 3.49Å; Q147-V151 PolarHBondContact O-N 3.34Å; Q147-V151 VanDerWaalsContact O-N 3.11Å; Q147-Q166 PolarHBondContact NE2-O 2.92Å; Q147-L169 HydrophobicContact CG-CD2 3.63Å; Q147-L169 HydrophobicContact CG-CG 4.18Å; Q147-Y189 HydrophobicContact CB-CE2 4.42Å
148E88.6Confident86.7Confident106 Ų10659.1 Ų59.150%0.49532%0.319SS..Hα-helixtrans-73.9-44.5177.5-48.866.6-140.700110.5T146 L150 V151 N152T146-E148 VanDerWaalsContact C-N 3.3Å; T146-E148 WeakPolarHBondContact CB-OE2 3.5Å; T146-E148 PolarHBondContact O-N 3.08Å; T146-E148 PolarHBondContact OG1-N 3.39Å; T146-E148 PolarHBondContact OG1-OE2 3.02Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.95Å; E148-V151 PolarHBondContact O-N 2.68Å; E148-N152 WeakPolarHBondContact O-CB 3.45Å; E148-N152 VanDerWaalsContact O-CG 3.24Å; E148-N152 PolarHBondContact O-N 2.75Å; E148-N152 PolarHBondContact O-ND2 3.15Å; E148-N152 VanDerWaalsContact O-ND2 3.15Å
149A90Very high85.2Confident27 Ų2764.6 Ų64.622%0.22336%0.355CS..Hα-helixtrans-61.2-38.617500000111.5M138 T146 Y153M138-A149 HydrophobicContact CE-CB 3.83Å; T146-A149 PolarHBondContact O-N 2.98Å; T146-A149 WeakPolarHBondContact OG1-CB 3.46Å; T146-A149 PolarHBondContact OG1-N 3.21Å; T146-A149 VanDerWaalsContact OG1-N 3.09Å; A149-Y153 WeakPolarHBondContact O-CB 3.19Å; A149-Y153 PolarHBondContact O-N 3.35Å
150L90.8Very high83.9Confident0 Ų066.8 Ų66.80%039%0.385CS..Hα-helixtrans-64.5-46175.7-178.755.1000112.3L131 V134 I135 M138 V145 T146 E148 Y153 M154 L169 L173L131-L150 HydrophobicContact CD2-CD1 4.49Å; L131-L150 HydrophobicContact CD2-CD2 4.07Å; L131-L150 HydrophobicContact CD2-CG 4.39Å; V134-L150 HydrophobicContact CB-CD1 4.05Å; V134-L150 HydrophobicContact CG1-CD1 3.51Å; I135-L150 HydrophobicContact CD1-CD2 4.44Å; I135-L150 HydrophobicContact CG1-CD1 4.09Å; I135-L150 HydrophobicContact CG1-CD2 4.29Å; M138-L150 HydrophobicContact SD-CD1 4.31Å; V145-L150 HydrophobicContact CG1-CB 3.94Å; V145-L150 HydrophobicContact CG1-CD1 4.23Å; V145-L150 HydrophobicContact CG1-CD2 4.34Å; V145-L150 HydrophobicContact CG1-CG 4.41Å; T146-L150 VanDerWaalsContact O-CB 3.25Å; T146-L150 WeakPolarHBondContact O-CB 3.32Å; T146-L150 PolarHBondContact O-N 3.41Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.95Å; L150-Y153 PolarHBondContact O-N 3.34Å; L150-M154 HydrophobicContact CD1-CG 4.47Å; L150-M154 HydrophobicContact CD1-SD 4.44Å; L150-M154 WeakPolarHBondContact O-CB 3.4Å; L150-M154 WeakPolarHBondContact O-CG 3.37Å; L150-M154 PolarHBondContact O-N 2.89Å; L150-L169 HydrophobicContact CD2-CD1 4.2Å; L150-L173 HydrophobicContact CD2-CD1 4.14Å; L150-L173 HydrophobicContact CD2-CD2 4.01Å
151V88.3Confident82.9Confident30 Ų3066 Ų6618%0.18238%0.375CS..Hα-helixtrans-62-46.3174.7167.40000111.5Q147 E148 Y153 M154 S155 I163 L169Q147-V151 WeakPolarHBondContact O-CG2 3.49Å; Q147-V151 PolarHBondContact O-N 3.34Å; Q147-V151 VanDerWaalsContact O-N 3.11Å; E148-V151 PolarHBondContact O-N 2.68Å; V151-Y153 VanDerWaalsContact C-N 3.32Å; V151-Y153 PolarHBondContact O-N 3.49Å; V151-M154 PolarHBondContact O-N 3.31Å; V151-S155 PolarHBondContact O-N 3.49Å; V151-S155 PolarHBondContact O-OG 2.82Å; V151-I163 HydrophobicContact CG1-CG2 3.82Å; V151-L169 HydrophobicContact CG2-CD2 3.41Å; V151-L169 VanDerWaalsContact CG2-CD2 3.41Å
152N86.8Confident82.2Confident107 Ų10769.6 Ų69.657%0.57239%0.391SS*.Hα-helixtrans-66.9-31.4179.6-71.5-30.3000113E148 S155 K156E148-N152 WeakPolarHBondContact O-CB 3.45Å; E148-N152 VanDerWaalsContact O-CG 3.24Å; E148-N152 PolarHBondContact O-N 2.75Å; E148-N152 PolarHBondContact O-ND2 3.15Å; E148-N152 VanDerWaalsContact O-ND2 3.15Å; N152-S155 PolarHBondContact O-OG 2.7Å; N152-K156 WeakPolarHBondContact O-CB 3.14Å; N152-K156 PolarHBondContact O-N 3.13Å
153Y86.3Confident81.7Confident85 Ų8567.2 Ų67.233%0.33338%0.382SS..Hα-helixtrans-73.9-43.7172.3-166-76.6000111.1V134 M138 A149 L150 V151 S155 K156 A157V134-Y153 HydrophobicContact CB-CD1 4.48Å; V134-Y153 HydrophobicContact CG1-CD1 3.42Å; V134-Y153 VanDerWaalsContact CG1-CD1 3.42Å; V134-Y153 HydrophobicContact CG1-CE1 4.05Å; V134-Y153 HydrophobicContact CG1-CG 4.04Å; V134-Y153 HydrophobicContact CG2-CD1 4.37Å; M138-Y153 HydrophobicContact CG-CD1 4.39Å; M138-Y153 HydrophobicContact CG-CD2 3.76Å; M138-Y153 HydrophobicContact CG-CE2 4.06Å; M138-Y153 HydrophobicContact CG-CG 3.93Å; M138-Y153 HydrophobicContact SD-CD2 4.22Å; M138-Y153 HydrophobicContact SD-CG 3.94Å; A149-Y153 WeakPolarHBondContact O-CB 3.19Å; A149-Y153 PolarHBondContact O-N 3.35Å; L150-Y153 PolarHBondContact O-N 3.34Å; V151-Y153 VanDerWaalsContact C-N 3.32Å; V151-Y153 PolarHBondContact O-N 3.49Å; Y153-S155 PolarHBondContact O-N 2.91Å; Y153-K156 PolarHBondContact O-N 3.09Å; Y153-A157 HydrophobicContact CD1-CB 3.86Å; Y153-A157 HydrophobicContact CE1-CB 3.65Å; Y153-A157 VanDerWaalsContact O-CB 3.28Å; Y153-A157 WeakPolarHBondContact O-CB 3.37Å; Y153-A157 PolarHBondContact O-N 2.88Å
154M84.5Confident81.4Confident5 Ų564.5 Ų64.53%0.02537%0.369CS..Hα-helixtrans-58.9-45.7177.8-79.8-178.764.400112.4L127 V130 L131 V134 L150 V151 K156 H158 P164L127-M154 HydrophobicContact CD1-CE 4.26Å; V130-M154 HydrophobicContact CG1-CE 3.95Å; L131-M154 HydrophobicContact CD2-CE 4.5Å; L131-M154 HydrophobicContact CD2-SD 3.66Å; V134-M154 HydrophobicContact CB-CG 4.49Å; V134-M154 HydrophobicContact CG1-CG 4.32Å; V134-M154 HydrophobicContact CG2-CG 4.07Å; L150-M154 HydrophobicContact CD1-CG 4.47Å; L150-M154 HydrophobicContact CD1-SD 4.44Å; L150-M154 WeakPolarHBondContact O-CB 3.4Å; L150-M154 WeakPolarHBondContact O-CG 3.37Å; L150-M154 PolarHBondContact O-N 2.89Å; V151-M154 PolarHBondContact O-N 3.31Å; M154-K156 VanDerWaalsContact C-N 3.31Å; M154-K156 PolarHBondContact O-N 2.87Å; M154-H158 WeakPolarHBondContact O-CB 3.28Å; M154-H158 PolarHBondContact O-N 3.47Å; M154-P164 HydrophobicContact CE-CG 4.15Å
155S81.3Confident81.3Confident45 Ų4563.7 Ų63.732%0.31537%0.369SS..Hα-helixtrans-65.2-33.1179.163.80000113V151 N152 Y153V151-S155 PolarHBondContact O-N 3.49Å; V151-S155 PolarHBondContact O-OG 2.82Å; N152-S155 PolarHBondContact O-OG 2.7Å; Y153-S155 PolarHBondContact O-N 2.91Å
156K80.1Confident81Confident179 Ų17968.4 Ų68.478%0.77839%0.391SS*.Hα-helixtrans-78.5-43.6176.9-173.9177.3179.3-178.90113.3N152 Y153 M154N152-K156 WeakPolarHBondContact O-CB 3.14Å; N152-K156 PolarHBondContact O-N 3.13Å; Y153-K156 PolarHBondContact O-N 3.09Å; M154-K156 VanDerWaalsContact C-N 3.31Å; M154-K156 PolarHBondContact O-N 2.87Å
157A69.9Low80.9Confident43 Ų4371.4 Ų71.436%0.35541%0.405SS..Hα-helixtrans-79.5-25.6-176.500000112.9Y153Y153-A157 HydrophobicContact CD1-CB 3.86Å; Y153-A157 HydrophobicContact CE1-CB 3.65Å; Y153-A157 VanDerWaalsContact O-CB 3.28Å; Y153-A157 WeakPolarHBondContact O-CB 3.37Å; Y153-A157 PolarHBondContact O-N 2.88Å
158H68.1Low80.9Confident69 Ų6974.9 Ų74.932%0.31942%0.423SS..  trans-134.468.2-177.3-58.3-32.3000111.1M154 G160 I161M154-H158 WeakPolarHBondContact O-CB 3.28Å; M154-H158 PolarHBondContact O-N 3.47Å; H158-G160 PolarHBondContact O-N 3.39Å; H158-I161 HydrophobicContact CB-CB 3.98Å; H158-I161 HydrophobicContact CB-CD1 3.64Å; H158-I161 HydrophobicContact CB-CG1 3.81Å; H158-I161 PolarHBondContact O-N 2.87Å
159P60.7Low81.1Confident118 Ų11869.8 Ų69.877%0.76640%0.399SS*.THydrogen-bonded Turntrans-63.6-7.7-17526-35.9000115.2
160G64.6Low81.2Confident80 Ų8075.6 Ų75.683%0.82542%0.417SS*.THydrogen-bonded Turntrans-103.73.3172.200000115.3H158H158-G160 PolarHBondContact O-N 3.39Å
161I70.2Confident81.3Confident55 Ų5580.5 Ų80.528%0.28244%0.443SS..SBendtrans-92.3129.6174-70.6-176.8000109.2I125 V130 H158 I163I125-I161 HydrophobicContact CD1-CD1 4.32Å; V130-I161 HydrophobicContact CG1-CD1 4.39Å; H158-I161 HydrophobicContact CB-CB 3.98Å; H158-I161 HydrophobicContact CB-CD1 3.64Å; H158-I161 HydrophobicContact CB-CG1 3.81Å; H158-I161 PolarHBondContact O-N 2.87Å; I161-I163 PolarHBondContact O-N 3.34Å
162T74.8Confident81.6Confident134 Ų13480 Ų8082%0.82244%0.442SS*.PPolyproline II helixtrans-61.9117.116940.20000109.7
163I77.1Confident82Confident90 Ų9074.9 Ų74.946%0.46242%0.415SS..PPolyproline II helixtrans-61.1123.4-179.8-58.5171.6000108.1V151 I161V151-I163 HydrophobicContact CG1-CG2 3.82Å; I161-I163 PolarHBondContact O-N 3.34Å
164P83.1Confident82.4Confident18 Ų1872 Ų7212%0.11741%0.411CS..PPolyproline II helixtrans-65.2142.8178.628-35.2000110.3L127 M154 I168 L169L127-P164 HydrophobicContact CD1-CB 4.43Å; L127-P164 HydrophobicContact CD1-CG 4.09Å; L127-P164 HydrophobicContact CD2-CB 4.12Å; M154-P164 HydrophobicContact CE-CG 4.15Å; P164-I168 HydrophobicContact CB-CB 4.37Å; P164-I168 HydrophobicContact CB-CG2 4.02Å; P164-L169 HydrophobicContact CG-CB 4.42Å; P164-L169 HydrophobicContact CG-CD1 4.5Å
165T86.8Confident82.9Confident78 Ų7874.7 Ų74.748%0.47943%0.428SS..PPolyproline II helixtrans-62.7156.7174620000110.9D167 I168 L169T165-D167 PolarHBondContact O-N 3.18Å; T165-D167 VanDerWaalsContact O-N 3.15Å; T165-I168 PolarHBondContact O-N 2.58Å; T165-I168 WeakPolarHBondContact OG1-CD1 3.43Å; T165-I168 WeakPolarHBondContact OG1-CG1 3.23Å; T165-L169 WeakPolarHBondContact O-CB 3.31Å; T165-L169 PolarHBondContact O-N 2.95Å
166Q87.8Confident83.5Confident99 Ų9972.7 Ų72.746%0.46341%0.413SS..Hα-helixtrans-55.7-36.1-175.1-169.271.4-29.500112.4Q147 Y170Q147-Q166 PolarHBondContact NE2-O 2.92Å; Q166-Y170 VanDerWaalsContact O-CB 3.26Å; Q166-Y170 WeakPolarHBondContact O-CB 3.34Å; Q166-Y170 PolarHBondContact O-N 2.93Å
167D88.8Confident84.2Confident112 Ų11267.4 Ų67.460%0.59939%0.393SS*.Hα-helixtrans-71.7-42177.5-48.8-70.4000112.6T165 L169 Y170 N171T165-D167 PolarHBondContact O-N 3.18Å; T165-D167 VanDerWaalsContact O-N 3.15Å; D167-L169 VanDerWaalsContact C-N 3.31Å; D167-Y170 PolarHBondContact O-N 2.89Å; D167-N171 VanDerWaalsContact O-CB 3.25Å; D167-N171 WeakPolarHBondContact O-CB 3.12Å; D167-N171 VanDerWaalsContact O-CG 3.3Å; D167-N171 PolarHBondContact O-N 3.43Å; D167-N171 PolarHBondContact O-ND2 3.27Å
168I91.6Very high85.3Confident92 Ų9273.4 Ų73.447%0.47241%0.411SS..Hα-helixtrans-63.4-43.2175.3-67.7173.1000109.5L127 P164 T165 A172L127-I168 HydrophobicContact CD2-CG2 3.65Å; P164-I168 HydrophobicContact CB-CB 4.37Å; P164-I168 HydrophobicContact CB-CG2 4.02Å; T165-I168 PolarHBondContact O-N 2.58Å; T165-I168 WeakPolarHBondContact OG1-CD1 3.43Å; T165-I168 WeakPolarHBondContact OG1-CG1 3.23Å; I168-A172 WeakPolarHBondContact O-CB 3.15Å; I168-A172 PolarHBondContact O-N 3.04Å
169L92.1Very high86.4Confident0 Ų075 Ų750%042%0.419CS..Hα-helixtrans-63.2-48.8177.2-178.156.7000111.7L131 Q147 L150 V151 P164 T165 D167 N171 A172 L173L131-L169 HydrophobicContact CD1-CD1 4.01Å; L131-L169 HydrophobicContact CD2-CD1 3.42Å; L131-L169 VanDerWaalsContact CD2-CD1 3.42Å; L131-L169 HydrophobicContact CG-CD1 4.38Å; Q147-L169 HydrophobicContact CG-CD2 3.63Å; Q147-L169 HydrophobicContact CG-CG 4.18Å; L150-L169 HydrophobicContact CD2-CD1 4.2Å; V151-L169 HydrophobicContact CG2-CD2 3.41Å; V151-L169 VanDerWaalsContact CG2-CD2 3.41Å; P164-L169 HydrophobicContact CG-CB 4.42Å; P164-L169 HydrophobicContact CG-CD1 4.5Å; T165-L169 WeakPolarHBondContact O-CB 3.31Å; T165-L169 PolarHBondContact O-N 2.95Å; D167-L169 VanDerWaalsContact C-N 3.31Å; L169-N171 PolarHBondContact O-N 2.93Å; L169-A172 PolarHBondContact O-N 3.36Å; L169-L173 HydrophobicContact CD1-CD1 3.77Å; L169-L173 HydrophobicContact CD1-CG 4.07Å; L169-L173 HydrophobicContact CG-CD1 3.82Å; L169-L173 WeakPolarHBondContact O-CB 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.21Å; L169-L173 PolarHBondContact O-N 3.11Å
170Y92.1Very high87.9Confident149 Ų14974.1 Ų74.158%0.58440%0.4SS*.Hα-helixtrans-61.7-43.9177.8-174.9-97000112.2Q166 D167 G174Q166-Y170 VanDerWaalsContact O-CB 3.26Å; Q166-Y170 WeakPolarHBondContact O-CB 3.34Å; Q166-Y170 PolarHBondContact O-N 2.93Å; D167-Y170 PolarHBondContact O-N 2.89Å; Y170-G174 PolarHBondContact O-N 3.31Å
171N93.4Very high89.2Confident102 Ų10272.5 Ų72.555%0.54537%0.37SS..Hα-helixtrans-66.8-37.6176.9-76.2-49.4000112.6D167 L169 T175D167-N171 VanDerWaalsContact O-CB 3.25Å; D167-N171 WeakPolarHBondContact O-CB 3.12Å; D167-N171 VanDerWaalsContact O-CG 3.3Å; D167-N171 PolarHBondContact O-N 3.43Å; D167-N171 PolarHBondContact O-ND2 3.27Å; L169-N171 PolarHBondContact O-N 2.93Å; N171-T175 WeakPolarHBondContact O-CB 3.25Å; N171-T175 PolarHBondContact O-N 2.85Å; N171-T175 PolarHBondContact O-OG1 3.24Å
172A94.8Very high90.4Very high20 Ų2070 Ų7017%0.16536%0.357CS..Hα-helixtrans-66.8-48.6174.900000111.6L127 L131 I168 L169 T175 L176L127-A172 HydrophobicContact CD2-CB 3.87Å; L127-A172 HydrophobicContact CG-CB 4.39Å; L131-A172 HydrophobicContact CD1-CB 3.64Å; I168-A172 WeakPolarHBondContact O-CB 3.15Å; I168-A172 PolarHBondContact O-N 3.04Å; L169-A172 PolarHBondContact O-N 3.36Å; A172-T175 WeakPolarHBondContact O-CB 3.48Å; A172-T175 PolarHBondContact O-N 2.8Å; A172-T175 VanDerWaalsContact O-N 3.11Å; A172-L176 WeakPolarHBondContact O-CG 3.32Å; A172-L176 PolarHBondContact O-N 3.4Å
173L94.1Very high91.3Very high0 Ų064.5 Ų64.50%032%0.321CS..Hα-helixtrans-61-45.5176.2-68.5167.1000111.4L131 I135 L150 L169 T175 L176 I177 I182 Y189L131-L173 HydrophobicContact CD1-CD2 4.32Å; L131-L173 HydrophobicContact CD1-CG 4.42Å; I135-L173 HydrophobicContact CD1-CD2 3.92Å; L150-L173 HydrophobicContact CD2-CD1 4.14Å; L150-L173 HydrophobicContact CD2-CD2 4.01Å; L169-L173 HydrophobicContact CD1-CD1 3.77Å; L169-L173 HydrophobicContact CD1-CG 4.07Å; L169-L173 HydrophobicContact CG-CD1 3.82Å; L169-L173 WeakPolarHBondContact O-CB 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.23Å; L169-L173 WeakPolarHBondContact O-CG 3.21Å; L169-L173 PolarHBondContact O-N 3.11Å; L173-T175 PolarHBondContact O-N 3.01Å; L173-L176 PolarHBondContact O-N 3.13Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.79Å; L173-I182 HydrophobicContact CB-CD1 4.33Å; L173-I182 HydrophobicContact CD2-CD1 3.56Å; L173-Y189 HydrophobicContact CB-CE1 4.07Å; L173-Y189 HydrophobicContact CD1-CD2 4.39Å; L173-Y189 HydrophobicContact CD1-CE1 4.2Å; L173-Y189 HydrophobicContact CD1-CE2 3.84Å; L173-Y189 HydrophobicContact CD2-CD1 4.29Å; L173-Y189 HydrophobicContact CD2-CE1 4.43Å; L173-Y189 HydrophobicContact CD2-CG 4.4Å; L173-Y189 HydrophobicContact CG-CE1 4.47Å
174G94.3Very high92Very high25 Ų2563.6 Ų63.626%0.25832%0.315SS..Hα-helixtrans-59.7-31.9173.800000113.3Y170 K178Y170-G174 PolarHBondContact O-N 3.31Å; G174-K178 VanDerWaalsContact O-CG 3.27Å; G174-K178 WeakPolarHBondContact O-CG 3.26Å; G174-K178 PolarHBondContact O-N 2.83Å; G174-K178 VanDerWaalsContact O-N 3.16Å
175T94.9Very high92.2Very high61 Ų6164.1 Ų64.137%0.37432%0.318SS..Hα-helixtrans-75-43.4174.1-58.80000111.8N171 A172 L173 I177 K178 E179N171-T175 WeakPolarHBondContact O-CB 3.25Å; N171-T175 PolarHBondContact O-N 2.85Å; N171-T175 PolarHBondContact O-OG1 3.24Å; A172-T175 WeakPolarHBondContact O-CB 3.48Å; A172-T175 PolarHBondContact O-N 2.8Å; A172-T175 VanDerWaalsContact O-N 3.11Å; L173-T175 PolarHBondContact O-N 3.01Å; T175-I177 PolarHBondContact O-N 3.16Å; T175-K178 WeakPolarHBondContact O-CB 3.5Å; T175-K178 PolarHBondContact O-N 3.1Å; T175-K178 VanDerWaalsContact O-N 3.1Å; T175-E179 WeakPolarHBondContact O-CG 3.24Å; T175-E179 PolarHBondContact O-N 2.79Å
176L94.9Very high92.2Very high3 Ų363.2 Ų63.22%0.01632%0.324CS..Hα-helixtrans-60.6-31.4174-69173.7000112.8A128 L131 A172 L173 R180 K181 I182A128-L176 HydrophobicContact CB-CD2 3.96Å; L131-L176 HydrophobicContact CB-CD1 3.91Å; L131-L176 HydrophobicContact CD1-CD1 4.12Å; A172-L176 WeakPolarHBondContact O-CG 3.32Å; A172-L176 PolarHBondContact O-N 3.4Å; L173-L176 PolarHBondContact O-N 3.13Å; L176-R180 PolarHBondContact O-N 3.01Å; L176-K181 HydrophobicContact CD2-CB 4.13Å; L176-K181 HydrophobicContact CD2-CD 3.57Å; L176-K181 HydrophobicContact CD2-CG 4.49Å; L176-K181 PolarHBondContact O-N 3.1Å; L176-I182 HydrophobicContact CB-CD1 3.71Å; L176-I182 HydrophobicContact CB-CG1 3.73Å; L176-I182 HydrophobicContact CB-CG2 4.27Å; L176-I182 HydrophobicContact CD1-CD1 4.17Å; L176-I182 PolarHBondContact O-N 3.07Å
177I93.9Very high92Very high67 Ų6765.2 Ų65.234%0.34433%0.333SS..Hα-helixtrans-69.8-47.5171.5-67.9168.9000110.9L173 T175 E179 R180 I182 H184 Y189L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.79Å; T175-I177 PolarHBondContact O-N 3.16Å; I177-E179 VanDerWaalsContact C-N 3.26Å; I177-E179 PolarHBondContact O-N 3.4Å; I177-R180 PolarHBondContact O-N 2.73Å; I177-I182 HydrophobicContact CG1-CD1 4.16Å; I177-I182 HydrophobicContact CG1-CG1 3.61Å; I177-H184 HydrophobicContact CD1-CB 4.27Å; I177-Y189 HydrophobicContact CD1-CD1 4.38Å; I177-Y189 HydrophobicContact CD1-CE1 4.07Å
178K93.2Very high92.1Very high170 Ų17059.9 Ų59.974%0.73931%0.305SS*.Hα-helixtrans-57.3-39.8175.5-70.6165.1-170.9171.90111.8G174 T175 R180G174-K178 VanDerWaalsContact O-CG 3.27Å; G174-K178 WeakPolarHBondContact O-CG 3.26Å; G174-K178 PolarHBondContact O-N 2.83Å; G174-K178 VanDerWaalsContact O-N 3.16Å; T175-K178 WeakPolarHBondContact O-CB 3.5Å; T175-K178 PolarHBondContact O-N 3.1Å; T175-K178 VanDerWaalsContact O-N 3.1Å; K178-R180 PolarHBondContact O-N 2.79Å
179E91.9Very high92.3Very high103 Ų10356.5 Ų56.548%0.48129%0.286SS..THydrogen-bonded Turntrans-74.8-6.1176.6-68.7-173.4150.800114.4T175 I177 K181T175-E179 WeakPolarHBondContact O-CG 3.24Å; T175-E179 PolarHBondContact O-N 2.79Å; I177-E179 VanDerWaalsContact C-N 3.26Å; I177-E179 PolarHBondContact O-N 3.4Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 HydrophobicContact CB-CD 4.31Å; E179-K181 HydrophobicContact CB-CG 4.21Å; E179-K181 PolarHBondContact O-N 3.11Å; E179-K181 IonicContact OE1-NZ 2.95Å; E179-K181 VanDerWaalsContact OE2-CD 3.26Å; E179-K181 WeakPolarHBondContact OE2-CD 3.37Å; E179-K181 WeakPolarHBondContact OE2-CE 3.46Å; E179-K181 IonicContact OE2-NZ 3.93Å; E179-K181 PolarHBondContact OE2-NZ 3.38Å
180R90.7Very high92.3Very high99 Ų9959 Ų5937%0.37430%0.297SS..THydrogen-bonded Turntrans54.538.6-173-49.8-176.3-174.7-158.8-3.3113.2L176 I177 K178 V192 Y197L176-R180 PolarHBondContact O-N 3.01Å; I177-R180 PolarHBondContact O-N 2.73Å; K178-R180 PolarHBondContact O-N 2.79Å; R180-V192 WeakPolarHBondContact O-CB 3.18Å; R180-V192 WeakPolarHBondContact O-CG2 3.41Å; R180-Y197 PolarHBondContact NH1-OH 3.23Å
181K92.8Very high92.5Very high46 Ų4652.3 Ų52.320%0.227%0.272CS..SBendtrans-88.1-37.5168.3-71.4174.6177.61630111.2W54 L176 E179 V192W54-K181 HydrophobicContact CB-CB 4.03Å; W54-K181 HydrophobicContact CB-CD 4.05Å; W54-K181 HydrophobicContact CB-CG 3.85Å; L176-K181 HydrophobicContact CD2-CB 4.13Å; L176-K181 HydrophobicContact CD2-CD 3.57Å; L176-K181 HydrophobicContact CD2-CG 4.49Å; L176-K181 PolarHBondContact O-N 3.1Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 HydrophobicContact CB-CD 4.31Å; E179-K181 HydrophobicContact CB-CG 4.21Å; E179-K181 PolarHBondContact O-N 3.11Å; E179-K181 IonicContact OE1-NZ 2.95Å; E179-K181 VanDerWaalsContact OE2-CD 3.26Å; E179-K181 WeakPolarHBondContact OE2-CD 3.37Å; E179-K181 WeakPolarHBondContact OE2-CE 3.46Å; E179-K181 IonicContact OE2-NZ 3.93Å; E179-K181 PolarHBondContact OE2-NZ 3.38Å; K181-V192 PolarHBondContact O-N 3.29Å
182I94.9Very high92.4Very high2 Ų248.1 Ų48.11%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.7164.5172.878.4-177.1000110.6I135 L173 L176 I177 Y189 F190 I191I135-I182 HydrophobicContact CD1-CD1 4.05Å; I135-I182 HydrophobicContact CD1-CG2 4.09Å; L173-I182 HydrophobicContact CB-CD1 4.33Å; L173-I182 HydrophobicContact CD2-CD1 3.56Å; L176-I182 HydrophobicContact CB-CD1 3.71Å; L176-I182 HydrophobicContact CB-CG1 3.73Å; L176-I182 HydrophobicContact CB-CG2 4.27Å; L176-I182 HydrophobicContact CD1-CD1 4.17Å; L176-I182 PolarHBondContact O-N 3.07Å; I177-I182 HydrophobicContact CG1-CD1 4.16Å; I177-I182 HydrophobicContact CG1-CG1 3.61Å; I182-Y189 HydrophobicContact CD1-CD1 3.92Å; I182-F190 CarbonylContact C-O 3.54Å; I182-F190 WeakPolarHBondContact CA-O 3.42Å; I182-F190 WeakPolarHBondContact CB-O 3.5Å; I182-I191 HydrophobicContact CG2-CD1 3.86Å
183Y93.2Very high92.2Very high18 Ų1848.5 Ų48.57%0.07125%0.25CS..EExtended strand (participates in β ladder)trans-134.9169.6168.267.5-78.5000110T185 Y189 F190 I191 V192 T196 T200Y183-T185 HydrophobicContact CD2-CG2 4.3Å; Y183-T185 HydrophobicContact CE2-CG2 3.82Å; Y183-Y189 CarbonylContact O-C 3.56Å; Y183-Y189 WeakPolarHBondContact O-CA 3.37Å; Y183-F190 HydrophobicContact CD1-CB 3.9Å; Y183-F190 VanDerWaalsContact CD1-O 3.28Å; Y183-F190 WeakPolarHBondContact CD1-O 3.38Å; Y183-F190 HydrophobicContact CD2-CB 4.37Å; Y183-F190 HydrophobicContact CE1-CB 3.4Å; Y183-F190 VanDerWaalsContact CE1-CB 3.4Å; Y183-F190 HydrophobicContact CE1-CG 4.49Å; Y183-F190 HydrophobicContact CE2-CB 3.92Å; Y183-F190 HydrophobicContact CE2-CD2 4.48Å; Y183-F190 HydrophobicContact CE2-CG 4.32Å; Y183-F190 HydrophobicContact CG-CB 4.37Å; Y183-F190 VanDerWaalsContact CZ-CB 3.41Å; Y183-F190 PolarHBondContact N-O 3.13Å; Y183-F190 PolarHBondContact O-N 2.77Å; Y183-I191 WeakPolarHBondContact CE1-O 3.18Å; Y183-V192 HydrophobicContact CD1-CG2 3.82Å; Y183-T196 HydrophobicContact CE1-CG2 4.35Å; Y183-T196 WeakPolarHBondContact OH-CG2 3.28Å; Y183-T200 HydrophobicContact CD1-CG2 4.08Å; Y183-T200 HydrophobicContact CG-CG2 3.98Å
184H92.1Very high91.6Very high72 Ų7252.6 Ų52.633%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-129.5127.2-179.5-175.3-95000109.4I177 G186 G188 Y189 M203I177-H184 HydrophobicContact CD1-CB 4.27Å; H184-G186 VanDerWaalsContact CE1-CA 3.45Å; H184-G186 WeakPolarHBondContact CE1-CA 3.26Å; H184-G186 PolarHBondContact CE1-N 3.2Å; H184-G186 PolarHBondContact ND1-N 2.96Å; H184-G188 WeakPolarHBondContact CA-O 3.26Å; H184-G188 VanDerWaalsContact CD2-C 3.47Å; H184-G188 PolarHBondContact CD2-O 3.18Å; H184-G188 VanDerWaalsContact CD2-O 3.28Å; H184-Y189 HydrophobicContact CB-CD1 4.19Å; H184-Y189 HydrophobicContact CB-CE1 4.31Å; H184-Y189 AromaticContact CD2-CD1 3.69Å; H184-Y189 AromaticContact CD2-CE1 3.6Å; H184-Y189 AromaticContact CD2-CG 3.98Å; H184-Y189 AromaticContact CD2-CZ 3.8Å; H184-M203 WeakPolarHBondContact O-CE 3.45Å
185T88.5Confident91Very high29 Ų2958 Ų5818%0.17830%0.295CS..  trans-85.9-18.4-17755.60000113.8Y183 E187 G188 F190Y183-T185 HydrophobicContact CD2-CG2 4.3Å; Y183-T185 HydrophobicContact CE2-CG2 3.82Å; T185-E187 PolarHBondContact OG1-N 3.31Å; T185-G188 PolarHBondContact N-O 2.98Å; T185-G188 VanDerWaalsContact N-O 3.07Å; T185-G188 PolarHBondContact OG1-N 3.08Å; T185-F190 HydrophobicContact CG2-CD2 3.71Å; T185-F190 HydrophobicContact CG2-CE2 3.63Å; T185-F190 HydrophobicContact CG2-CZ 4.4Å; T185-F190 WeakPolarHBondContact OG1-CE2 3.43Å
186G85.3Confident90.5Very high58 Ų5855.6 Ų55.660%0.59828%0.28SS*.SBendtrans114.2-36.8-163.800000111.1H184H184-G186 VanDerWaalsContact CE1-CA 3.45Å; H184-G186 WeakPolarHBondContact CE1-CA 3.26Å; H184-G186 PolarHBondContact CE1-N 3.2Å; H184-G186 PolarHBondContact ND1-N 2.96Å
187E84.9Confident89.7Confident141 Ų14160 Ų6066%0.65930%0.297SS*.SBendtrans-95.8-27.7-179.5-60.1171.4151.700112.6I144 T185I144-E187 HydrophobicContact CG2-CB 4.44Å; I144-E187 VanDerWaalsContact CG2-O 3.23Å; I144-E187 WeakPolarHBondContact CG2-O 3.29Å; T185-E187 PolarHBondContact OG1-N 3.31Å
188G91.5Very high88.7Confident0 Ų064.3 Ų64.30%031%0.314CS..  trans-176.6-178.5176.400000114.8V145 H184 T185 F190V145-G188 CarbonylContact O-C 3.47Å; V145-G188 WeakPolarHBondContact O-CA 3.47Å; H184-G188 WeakPolarHBondContact CA-O 3.26Å; H184-G188 VanDerWaalsContact CD2-C 3.47Å; H184-G188 PolarHBondContact CD2-O 3.18Å; H184-G188 VanDerWaalsContact CD2-O 3.28Å; T185-G188 PolarHBondContact N-O 2.98Å; T185-G188 VanDerWaalsContact N-O 3.07Å; T185-G188 PolarHBondContact OG1-N 3.08Å; G188-F190 VanDerWaalsContact O-CD2 3.32Å; G188-F190 WeakPolarHBondContact O-CD2 3.44Å; G188-F190 WeakPolarHBondContact O-CE2 3.35Å
189Y94.2Very high87.4Confident21 Ų2159 Ų598%0.08229%0.293CS..EExtended strand (participates in β ladder)trans-90.8140.4178.2-60.9-81.1000112.3N139 V145 Q147 L173 I177 I182 Y183 H184N139-Y189 PolarHBondContact OD1-O 2.69Å; V145-Y189 WeakPolarHBondContact O-CD2 3.41Å; V145-Y189 PolarHBondContact O-N 2.67Å; Q147-Y189 HydrophobicContact CB-CE2 4.42Å; L173-Y189 HydrophobicContact CB-CE1 4.07Å; L173-Y189 HydrophobicContact CD1-CD2 4.39Å; L173-Y189 HydrophobicContact CD1-CE1 4.2Å; L173-Y189 HydrophobicContact CD1-CE2 3.84Å; L173-Y189 HydrophobicContact CD2-CD1 4.29Å; L173-Y189 HydrophobicContact CD2-CE1 4.43Å; L173-Y189 HydrophobicContact CD2-CG 4.4Å; L173-Y189 HydrophobicContact CG-CE1 4.47Å; I177-Y189 HydrophobicContact CD1-CD1 4.38Å; I177-Y189 HydrophobicContact CD1-CE1 4.07Å; I182-Y189 HydrophobicContact CD1-CD1 3.92Å; Y183-Y189 CarbonylContact O-C 3.56Å; Y183-Y189 WeakPolarHBondContact O-CA 3.37Å; H184-Y189 HydrophobicContact CB-CD1 4.19Å; H184-Y189 HydrophobicContact CB-CE1 4.31Å; H184-Y189 AromaticContact CD2-CD1 3.69Å; H184-Y189 AromaticContact CD2-CE1 3.6Å; H184-Y189 AromaticContact CD2-CG 3.98Å; H184-Y189 AromaticContact CD2-CZ 3.8Å
190F93.9Very high85.8Confident53 Ų5354.8 Ų54.823%0.23227%0.274CS..EExtended strand (participates in β ladder)trans-138.1144-177.1-66.7-103.1000112.2N139 I182 Y183 T185 G188N139-F190 WeakPolarHBondContact ND2-CA 3.29Å; N139-F190 WeakPolarHBondContact ND2-CD1 3.42Å; I182-F190 CarbonylContact C-O 3.54Å; I182-F190 WeakPolarHBondContact CA-O 3.42Å; I182-F190 WeakPolarHBondContact CB-O 3.5Å; Y183-F190 HydrophobicContact CD1-CB 3.9Å; Y183-F190 VanDerWaalsContact CD1-O 3.28Å; Y183-F190 WeakPolarHBondContact CD1-O 3.38Å; Y183-F190 HydrophobicContact CD2-CB 4.37Å; Y183-F190 HydrophobicContact CE1-CB 3.4Å; Y183-F190 VanDerWaalsContact CE1-CB 3.4Å; Y183-F190 HydrophobicContact CE1-CG 4.49Å; Y183-F190 HydrophobicContact CE2-CB 3.92Å; Y183-F190 HydrophobicContact CE2-CD2 4.48Å; Y183-F190 HydrophobicContact CE2-CG 4.32Å; Y183-F190 HydrophobicContact CG-CB 4.37Å; Y183-F190 VanDerWaalsContact CZ-CB 3.41Å; Y183-F190 PolarHBondContact N-O 3.13Å; Y183-F190 PolarHBondContact O-N 2.77Å; T185-F190 HydrophobicContact CG2-CD2 3.71Å; T185-F190 HydrophobicContact CG2-CE2 3.63Å; T185-F190 HydrophobicContact CG2-CZ 4.4Å; T185-F190 WeakPolarHBondContact OG1-CE2 3.43Å; G188-F190 VanDerWaalsContact O-CD2 3.32Å; G188-F190 WeakPolarHBondContact O-CD2 3.44Å; G188-F190 WeakPolarHBondContact O-CE2 3.35Å
191I94.4Very high84.1Confident9 Ų953.4 Ų53.45%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-69.7135175.1-57.3-54.2000111.1F53 W54 C132 I135 I182 Y183 T193 T196F53-I191 HydrophobicContact CB-CG2 4.09Å; F53-I191 HydrophobicContact CD2-CG2 4.38Å; W54-I191 HydrophobicContact CE3-CD1 4.46Å; W54-I191 HydrophobicContact CE3-CG2 4.29Å; C132-I191 HydrophobicContact CB-CD1 4.34Å; C132-I191 WeakPolarHBondContact O-CD1 3.39Å; I135-I191 HydrophobicContact CB-CD1 3.81Å; I135-I191 HydrophobicContact CB-CG1 4.45Å; I135-I191 HydrophobicContact CG2-CD1 3.65Å; I135-I191 HydrophobicContact CG2-CG1 3.99Å; I182-I191 HydrophobicContact CG2-CD1 3.86Å; Y183-I191 WeakPolarHBondContact CE1-O 3.18Å; I191-T193 PolarHBondContact O-N 2.86Å; I191-T196 PolarHBondContact O-OG1 3.37Å
192V92.9Very high82Confident13 Ų1355.7 Ų55.78%0.07929%0.289CS..  trans-74.8108.6172.3-178.70000109.8R180 K181 Y183 Y197 T200R180-V192 WeakPolarHBondContact O-CB 3.18Å; R180-V192 WeakPolarHBondContact O-CG2 3.41Å; K181-V192 PolarHBondContact O-N 3.29Å; Y183-V192 HydrophobicContact CD1-CG2 3.82Å; V192-Y197 HydrophobicContact CG1-CD2 3.81Å; V192-T200 HydrophobicContact CG1-CG2 4.34Å; V192-T200 HydrophobicContact CG2-CG2 3.89Å
193T89.3Confident80Confident29 Ų2958.6 Ų58.618%0.17830%0.303CS..  trans-98.8166172.970.60000110F53 I191 Q195 T196 Y197F53-T193 HydrophobicContact CD2-CG2 3.86Å; F53-T193 HydrophobicContact CE2-CG2 3.91Å; F53-T193 HydrophobicContact CG-CG2 4.39Å; F53-T193 HydrophobicContact CZ-CG2 4.48Å; I191-T193 PolarHBondContact O-N 2.86Å; T193-Q195 PolarHBondContact O-N 2.93Å; T193-Q195 VanDerWaalsContact O-N 3.15Å; T193-Q195 PolarHBondContact OG1-N 3.44Å; T193-Q195 PolarHBondContact OG1-OE1 2.96Å; T193-T196 PolarHBondContact N-OG1 3.16Å; T193-T196 PolarHBondContact O-N 2.82Å; T193-T196 PolarHBondContact OG1-N 3.2Å; T193-T196 VanDerWaalsContact OG1-N 3.16Å; T193-T196 PolarHBondContact OG1-OG1 2.78Å; T193-Y197 WeakPolarHBondContact O-CB 3.37Å; T193-Y197 PolarHBondContact O-N 2.87Å
194P82.9Confident78Confident86 Ų8662.7 Ų62.756%0.55833%0.33SS*.THydrogen-bonded Turntrans-54.6-29172.2-27.336.3000113.8F53F53-P194 HydrophobicContact CD1-CG 4.43Å; F53-P194 HydrophobicContact CE1-CG 4.37Å
195Q81.4Confident76Confident139 Ų13967.6 Ų67.665%0.6535%0.345SS*.THydrogen-bonded Turntrans-76.5-47.5177.3-61.979.8-2.500111.7T193 Y197T193-Q195 PolarHBondContact O-N 2.93Å; T193-Q195 VanDerWaalsContact O-N 3.15Å; T193-Q195 PolarHBondContact OG1-N 3.44Å; T193-Q195 PolarHBondContact OG1-OE1 2.96Å; Q195-Y197 VanDerWaalsContact C-N 3.34Å; Q195-Y197 PolarHBondContact O-N 3.02Å
196T84.1Confident74Confident10 Ų1070.8 Ų70.86%0.06136%0.358CS..THydrogen-bonded Turntrans-81.4-10.9-176.860.50000113.7Y183 I191 T193 F198 I199Y183-T196 HydrophobicContact CE1-CG2 4.35Å; Y183-T196 WeakPolarHBondContact OH-CG2 3.28Å; I191-T196 PolarHBondContact O-OG1 3.37Å; T193-T196 PolarHBondContact N-OG1 3.16Å; T193-T196 PolarHBondContact O-N 2.82Å; T193-T196 PolarHBondContact OG1-N 3.2Å; T193-T196 VanDerWaalsContact OG1-N 3.16Å; T193-T196 PolarHBondContact OG1-OG1 2.78Å; T196-F198 PolarHBondContact O-N 2.68Å; T196-F198 VanDerWaalsContact O-N 3.1Å; T196-I199 HydrophobicContact CG2-CD1 4.33Å; T196-I199 WeakPolarHBondContact O-CB 3.41Å; T196-I199 PolarHBondContact O-N 2.99Å
197Y76.8Confident72.1Confident94 Ų9476.3 Ų76.337%0.36937%0.366SS..Hα-helixtrans-49.2-40-179.6-171.3-99.2000114.1R180 V192 T193 Q195 I199 T200R180-Y197 PolarHBondContact NH1-OH 3.23Å; V192-Y197 HydrophobicContact CG1-CD2 3.81Å; T193-Y197 WeakPolarHBondContact O-CB 3.37Å; T193-Y197 PolarHBondContact O-N 2.87Å; Q195-Y197 VanDerWaalsContact C-N 3.34Å; Q195-Y197 PolarHBondContact O-N 3.02Å; Y197-I199 PolarHBondContact O-N 3.09Å; Y197-T200 PolarHBondContact O-N 3.34Å; Y197-T200 PolarHBondContact O-OG1 3.36Å
198F72.8Confident69.9Low158 Ų15876 Ų7669%0.69337%0.369SS*.Hα-helixtrans-64.8-36.4-179.9-63.7-80000113.1T196 T200 N201T196-F198 PolarHBondContact O-N 2.68Å; T196-F198 VanDerWaalsContact O-N 3.1Å; F198-T200 VanDerWaalsContact C-N 3.33Å; F198-T200 PolarHBondContact O-N 2.93Å; F198-N201 PolarHBondContact O-N 2.89Å
199I66.5Low67.2Low58 Ų5886 Ų8630%0.29741%0.407SS..Hα-helixtrans-59.9-47179.5-53.7174.2000109.5T196 Y197 N201 N202 M203T196-I199 HydrophobicContact CG2-CD1 4.33Å; T196-I199 WeakPolarHBondContact O-CB 3.41Å; T196-I199 PolarHBondContact O-N 2.99Å; Y197-I199 PolarHBondContact O-N 3.09Å; I199-N201 PolarHBondContact O-N 2.91Å; I199-N202 PolarHBondContact O-N 3.24Å; I199-M203 HydrophobicContact CG2-SD 4.34Å; I199-M203 PolarHBondContact O-N 3.11Å
200T59.4Low64.3Low15 Ų1594.6 Ų94.69%0.09244%0.439CS..Hα-helixtrans-57.7-26.8-178.6760000113.9Y183 V192 Y197 F198Y183-T200 HydrophobicContact CD1-CG2 4.08Å; Y183-T200 HydrophobicContact CG-CG2 3.98Å; V192-T200 HydrophobicContact CG1-CG2 4.34Å; V192-T200 HydrophobicContact CG2-CG2 3.89Å; Y197-T200 PolarHBondContact O-N 3.34Å; Y197-T200 PolarHBondContact O-OG1 3.36Å; F198-T200 VanDerWaalsContact C-N 3.33Å; F198-T200 PolarHBondContact O-N 2.93Å
201N53.8Low61.6Low71 Ų7197.5 Ų97.538%0.3846%0.462SS..Hα-helixtrans-84.2-19.4-177.1-160.762.7000112.9F198 I199F198-N201 PolarHBondContact O-N 2.89Å; I199-N201 PolarHBondContact O-N 2.91Å
202N49.5Very low58.6Low94 Ų94102.6 Ų102.650%0.50350%0.498SS..Hα-helixtrans-84.7-41.7174.6-82.61000112I199 V204 R205 E206I199-N202 PolarHBondContact O-N 3.24Å; N202-V204 PolarHBondContact O-N 2.81Å; N202-V204 VanDerWaalsContact O-N 3.12Å; N202-R205 CarbonylContact O-C 3.51Å; N202-R205 WeakPolarHBondContact O-CA 3.48Å; N202-R205 WeakPolarHBondContact O-CB 3.48Å; N202-R205 PolarHBondContact O-N 3.18Å; N202-E206 PolarHBondContact O-N 3.48Å
203M53.4Low55.9Low62 Ų62106 Ų10631%0.30554%0.536SS..Hα-helixtrans-61-27.9-177.7-54.9-176.288.100113.4H184 I199H184-M203 WeakPolarHBondContact O-CE 3.45Å; I199-M203 HydrophobicContact CG2-SD 4.34Å; I199-M203 PolarHBondContact O-N 3.11Å
204V49.8Very low53.3Low104 Ų104110.4 Ų110.463%0.6357%0.567SS**Hα-helixtrans-74-27.1173179.60000112.1N202N202-V204 PolarHBondContact O-N 2.81Å; N202-V204 VanDerWaalsContact O-N 3.12Å
205R49.8Very low51.4Low175 Ų175112.1 Ų112.166%0.6658%0.576SS**Hα-helixtrans-85.4-35.3177.6-172.3-172.1-62.2-105.3-1.4112.2N202 K207 N208N202-R205 CarbonylContact O-C 3.51Å; N202-R205 WeakPolarHBondContact O-CA 3.48Å; N202-R205 WeakPolarHBondContact O-CB 3.48Å; N202-R205 PolarHBondContact O-N 3.18Å; R205-K207 PolarHBondContact O-N 3.26Å; R205-N208 WeakPolarHBondContact O-CB 3.25Å; R205-N208 PolarHBondContact O-N 3.26Å
206E46.3Very low49.7Very low96 Ų96112.5 Ų112.545%0.44958%0.583SS.*Hα-helixtrans-62.7-25.7179.9-74.9177.2120.200113.2N202 N208 W209N202-E206 PolarHBondContact O-N 3.48Å; E206-N208 PolarHBondContact O-N 2.86Å; E206-W209 WeakPolarHBondContact O-CB 3.32Å; E206-W209 PolarHBondContact O-N 3.18Å
207K46.2Very low47.4Very low174 Ų174119.4 Ų119.476%0.75762%0.62SS**THydrogen-bonded Turntrans-59.8-11.3170.5-69.9-169175.5-172.70114.2R205R205-K207 PolarHBondContact O-N 3.26Å
208N39.8Very low45.9Very low136 Ų136120.1 Ų120.173%0.72764%0.636SS**THydrogen-bonded Turntrans-105.41.9173.9-61.426.4000113.2R205 E206R205-N208 WeakPolarHBondContact O-CB 3.25Å; R205-N208 PolarHBondContact O-N 3.26Å; E206-N208 PolarHBondContact O-N 2.86Å
209W33.2Very low44.2Very low209 Ų209118.3 Ų118.379%0.79264%0.64SS**THydrogen-bonded Turntrans-94-33.5179.9-168.5-81.8000112.5E206 T211E206-W209 WeakPolarHBondContact O-CB 3.32Å; E206-W209 PolarHBondContact O-N 3.18Å; W209-T211 VanDerWaalsContact C-N 3.31Å; W209-T211 PolarHBondContact O-N 3.21Å
210W33.2Very low42.7Very low201 Ų201123.7 Ų123.776%0.76167%0.668SS**THydrogen-bonded Turntrans-822.7-172-59.1104.6000115.5
211T37.2Very low41.5Very low115 Ų115129 Ų12971%0.70670%0.701SS**THydrogen-bonded Turntrans-100.621.2-174.124.20000114.7W209W209-T211 VanDerWaalsContact C-N 3.31Å; W209-T211 PolarHBondContact O-N 3.21Å
212S32.9Very low40.5Very low115 Ų115130.7 Ų130.780%0.80472%0.716SS**  trans-135.485.3171.7-68.60000110.6
213G34.8Very low40Very low85 Ų85131.8 Ų131.888%0.87673%0.728SS**  trans-80129.8171.100000111.4
214S34.3Very low39.1Very low121 Ų121133.9 Ų133.985%0.84674%0.744SS**  trans-115141.2150.5-1760000107.5
215T44.6Very low38.2Very low122 Ų122134.6 Ų134.675%0.74875%0.749SS**  trans-71.2165.8171.5-39.10000110.2
216D44.9Very low37.7Very low148 Ų148132.3 Ų132.379%0.79174%0.741SS**  trans6573.3176.9-63.8-13.6000116.6
217D37Very low37.2Very low154 Ų154134.7 Ų134.782%0.82476%0.756SS**  -168.4153.9117-108.6-27.5000110.5P219D217-P219 VanDerWaalsContact O-CD 3.32Å; D217-P219 WeakPolarHBondContact O-CD 3.46Å
218P43.9Very low36.5Very low110 Ų110131.7 Ų131.771%0.71475%0.748SS**  trans-76115.1174.629.7-31.1000110.5L220P218-L220 PolarHBondContact O-N 3.33Å
219P37Very low35.9Very low120 Ų120128.8 Ų128.878%0.77974%0.738SS**PPolyproline II helixtrans-73.8119.3-17428.8-34.1000111.8D217 T221D217-P219 VanDerWaalsContact O-CD 3.32Å; D217-P219 WeakPolarHBondContact O-CD 3.46Å; P219-T221 PolarHBondContact O-N 3.3Å
220L35.1Very low36.1Very low170 Ų170124 Ų12489%0.8973%0.728SS**PPolyproline II helixtrans-56.3133.4163.1-74.3165.2000109.7P218P218-L220 PolarHBondContact O-N 3.33Å
221T34Very low35.9Very low128 Ų128120.7 Ų120.779%0.78572%0.721SS**PPolyproline II helixtrans-67.9129.7-172.239.90000112.3P219P219-T221 PolarHBondContact O-N 3.3Å
222P33Very low35.8Very low106 Ų106121.9 Ų121.969%0.68873%0.728SS**PPolyproline II helixtrans-72.3131.8174.428.9-33.2000110.4V224P222-V224 PolarHBondContact O-N 2.88Å
223P39.3Very low35.5Very low116 Ų116122 Ų12275%0.75373%0.727SS**  trans-79.191-176.931-34.9000111.6T225P223-T225 VanDerWaalsContact C-N 3.31Å; P223-T225 PolarHBondContact O-N 2.88Å
224V33.9Very low35.3Very low107 Ų107123.6 Ų123.665%0.64872%0.72SS**  trans-8776.7161.5-171.40000108.4P222 Y226P222-V224 PolarHBondContact O-N 2.88Å; V224-Y226 HydrophobicContact CG1-CD2 3.79Å; V224-Y226 HydrophobicContact CG1-CE2 3.61Å; V224-Y226 PolarHBondContact O-N 3.42Å
225T32Very low35.4Very low118 Ų118127.7 Ų127.772%0.72473%0.726SS**  trans-70.887.9176.532.70000111.1P223 L227P223-T225 VanDerWaalsContact C-N 3.31Å; P223-T225 PolarHBondContact O-N 2.88Å; T225-L227 PolarHBondContact O-N 2.98Å
226Y40Very low34.6Very low128 Ų128124.8 Ų124.850%0.50272%0.72SS.*  trans-65.291.9167.4-85.5-85000110.6V224V224-Y226 HydrophobicContact CG1-CD2 3.79Å; V224-Y226 HydrophobicContact CG1-CE2 3.61Å; V224-Y226 PolarHBondContact O-N 3.42Å
227L34.4Very low34.1Very low145 Ų145124.4 Ų124.476%0.75972%0.724SS**  trans-120.274.4165.3-70.7177.5000109.7T225 S229T225-L227 PolarHBondContact O-N 2.98Å; L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 2.88Å
228L33Very low33.9Very low112 Ų112125.3 Ų125.359%0.58672%0.723SS**  trans-89.570.9160.5-89.581.2000109.4N230L228-N230 PolarHBondContact O-N 3.09Å
229S26.9Very low33.1Very low75 Ų75126 Ų12652%0.52473%0.725SS.*  trans-66110.8164.3-98.90000109.4L227 E231L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 2.88Å; S229-E231 VanDerWaalsContact C-N 3.33Å; S229-E231 WeakPolarHBondContact CB-OE1 3.29Å; S229-E231 PolarHBondContact O-N 3.49Å; S229-E231 PolarHBondContact OG-OE1 3.45Å
230N37.3Very low33.1Very low109 Ų109126.7 Ų126.758%0.58373%0.727SS**  trans-95.857.9178-88.3-18.5000110.3L228L228-N230 PolarHBondContact O-N 3.09Å
231E28.6Very low33.2Very low131 Ų131124.3 Ų124.361%0.61272%0.721SS**  trans-78.7134.9-173.7-26.4-60.2-150.200110S229 C233S229-E231 VanDerWaalsContact C-N 3.33Å; S229-E231 WeakPolarHBondContact CB-OE1 3.29Å; S229-E231 PolarHBondContact O-N 3.49Å; S229-E231 PolarHBondContact OG-OE1 3.45Å; E231-C233 PolarHBondContact O-N 2.61Å
232V35.1Very low33.4Very low139 Ų139125 Ų12584%0.84273%0.725SS**  trans-71.592.6173.8179.30000108.8T234V232-T234 PolarHBondContact O-N 3.42Å
233C26.1Very low33.5Very low118 Ų118123.8 Ų123.880%0.79772%0.724SS**  trans-7299.7179.5-169.40000110.7E231E231-C233 PolarHBondContact O-N 2.61Å
234T30.2Very low33.8Very low118 Ų118127.6 Ų127.672%0.72473%0.732SS**  trans-66153.3160.743.30000110.3V232 G236V232-T234 PolarHBondContact O-N 3.42Å; T234-G236 PolarHBondContact O-N 3.29Å
235E36.9Very low34.3Very low208 Ų208125.8 Ų125.897%0.97272%0.723SS**SBendtrans-64.1103-166.7-167.7165-172.900112.8
236G27.4Very low34.9Very low61 Ų61132.6 Ų132.663%0.62974%0.735SS**  trans-132.1129.9-177.900000111.7T234 Q238T234-G236 PolarHBondContact O-N 3.29Å; G236-Q238 PolarHBondContact O-N 3.33Å
237T34.6Very low35.2Very low140 Ų140131.5 Ų131.586%0.85975%0.746SS**  trans-84.2101.3-171-610000112.6
238Q32.8Very low36Very low172 Ų172129.5 Ų129.580%0.80474%0.743SS**  trans-166.7157.1148.3-116.7160.986.400117.3G236G236-Q238 PolarHBondContact O-N 3.33Å
239T28.6Very low36.7Very low125 Ų125130.1 Ų130.177%0.76776%0.757SS**  trans54107.5161.152.90000119.9
240V35.7Very low37.1Very low135 Ų135131.5 Ų131.582%0.81877%0.766SS**PPolyproline II helixtrans-77.8135164.8178.60000110.2
241P37.7Very low36.8Very low119 Ų119136.3 Ų136.377%0.77378%0.782SS**PPolyproline II helixtrans-70.5136.5177.328.1-34.7000112.5
242V38.4Very low37Very low142 Ų142135.4 Ų135.486%0.86179%0.79SS**PPolyproline II helixtrans-72.3131.7-178.4177.60000111.3H244V242-H244 PolarHBondContact O-N 3.11Å
243A35.9Very low36.9Very low81 Ų81134.8 Ų134.867%0.66979%0.789SS**PPolyproline II helixtrans-67.5124.6178.900000112.3C245A243-C245 PolarHBondContact O-N 2.91Å
244H45.5Very low37Very low197 Ų197137.3 Ų137.391%0.91279%0.788SS**SBendtrans-78.827.7-175.763.3-99000114.7V242V242-H244 PolarHBondContact O-N 3.11Å
245C43.3Very low37Very low68 Ų68140.8 Ų140.846%0.45980%0.796SS.*  trans-149122.7175.8-173.90000111.6A243 S247A243-C245 PolarHBondContact O-N 2.91Å; C245-S247 PolarHBondContact O-N 2.89Å; C245-S247 PolarHBondContact SG-OG 3.15Å
246R45.1Very low36.6Very low261 Ų261137.6 Ų137.699%0.98579%0.786SS**THydrogen-bonded Turntrans-9221.2-177.4-72.5-169.1172.8-164.7-0.9114.7
247S45.7Very low36.5Very low105 Ų105140.5 Ų140.573%0.73480%0.797SS**THydrogen-bonded Turntrans-141.817.9-172.457.70000116.2C245C245-S247 PolarHBondContact O-N 2.89Å; C245-S247 PolarHBondContact SG-OG 3.15Å
248C51.9Low36.9Very low103 Ų103138.7 Ų138.770%0.69679%0.788SS**  trans-122.8114.5175.1-67.10000111
249S46.5Very low36.9Very low125 Ų125137.9 Ų137.987%0.87479%0.789SS**  trans-103.968.3-179.561.70000111.4
250C36.3Very low36.8Very low105 Ų105137.6 Ų137.671%0.70979%0.787SS**  trans-123.9133.9176.8-65.90000109.5
251F30.9Very low36.6Very low209 Ų209137 Ų13792%0.91778%0.784SS**  trans68.2110.9-172.5-64.8-87.3000116.4
252S31.9Very low36.2Very low113 Ų113135.8 Ų135.879%0.7978%0.784SS**  trans-128.8116.1151.8-58.90000106.9H254S252-H254 PolarHBondContact O-N 3.14Å
253P33.6Very low35.8Very low125 Ų125133.3 Ų133.381%0.81278%0.778SS**  trans-77.2118.8178.229.6-31.5000110Q255P253-Q255 PolarHBondContact O-N 3.06Å
254H28.5Very low35.4Very low171 Ų171135 Ų13579%0.79278%0.78SS**  trans-66125.8164-93.2-85000109.6S252S252-H254 PolarHBondContact O-N 3.14Å
255Q30.7Very low34.6Very low191 Ų191134 Ų13489%0.89378%0.776SS**  trans-118.2137.4147.6-72.9-152.626.300108.8P253P253-Q255 PolarHBondContact O-N 3.06Å
256N27.3Very low33.8Very low142 Ų142136.3 Ų136.376%0.75979%0.788SS**  trans-114.4130.6178.5-65-19.1000108.9
257S26.7Very low33Very low121 Ų121128 Ų12885%0.84678%0.775SS**  trans-148.2127.8159.1-168.80000108.7
258P41.7Very low32Very low103 Ų103129.5 Ų129.567%0.66978%0.78SS**  trans-110.7139.8-165.937.8-32000117
259N32.5Very low31Very low155 Ų155130.8 Ų130.883%0.82978%0.784SS**  trans71.2156.9135.9-645.7000120.2
260T28.1Very low31.4Very low119 Ų119130.2 Ų130.273%0.7378%0.778SS**  cis179.2155.8-12.3-84.40000106.1
261T29.8Very low31.8Very low123 Ų123131.2 Ų131.276%0.75578%0.783SS**  cis-111.3-159.419.150.10000112.9
262A29.8Very low31.5Very low93 Ų93126 Ų12677%0.76977%0.772SS**  cis71.1154.213.300000117.8
263A29.8Very low31.5Very low90 Ų90126.3 Ų126.374%0.74477%0.77SS**  cis-134.9-175.12.500000110.2
264T27.8Very low31.4Very low115 Ų115126.3 Ų126.371%0.70677%0.767SS**  cis-170.1123.145.7-560000113.2
265E28.9Very low31.9Very low176 Ų176123.7 Ų123.782%0.82277%0.765SS**  trans52.7-169.8155.4-57.4-166.463.400119.9
266T26.8Very low31.7Very low117 Ų117120.8 Ų120.872%0.71876%0.756SS**  cis-161.115211-23.70000115.4
267A27Very low32Very low86 Ų86121.1 Ų121.171%0.71175%0.753SS**  trans66.5136.7147.500000127
268T26.4Very low32.1Very low138 Ų138123.3 Ų123.385%0.84775%0.749SS**  trans102.1141.1149.9-31.30000120.3
269V31Very low31.4Very low129 Ų129123.4 Ų123.478%0.78275%0.753SS**  trans-164.9156.6-159.7172.10000109.5
270P53.3Low31.1Very low113 Ų113122.2 Ų122.273%0.73475%0.751SS**  cis-123.7-153.2-31.840.5-19.6000111.3
271P45.9Very low31Very low126 Ų126121.4 Ų121.482%0.81875%0.75SS**  -142.6-175.764.735.9-12.7000117.1
272S24.8Very low31Very low99 Ų99121.4 Ų121.469%0.69275%0.75SS**  trans-80.8166.5-176.5-152.80000112.7
273T30.3Very low31Very low120 Ų120122.5 Ų122.574%0.73675%0.751SS**  cis-162.6137.94649.90000116.8
274V32.4Very low30.8Very low125 Ų125125.9 Ų125.976%0.75876%0.755SS**  49.8138.8124.1-172.50000120.7
275P39.5Very low30.9Very low116 Ų116124.4 Ų124.475%0.75375%0.75SS**  cis-139.3-172.4-22.141.3-22.2000116.5
276D26.8Very low30.8Very low131 Ų131124.3 Ų124.370%0.70175%0.749SS**  trans113.4141143.6-153.629.1000120
277Q33.2Very low30.8Very low148 Ų148124.1 Ų124.169%0.69275%0.752SS**  trans67.7149.8169.7-39.8-162.712.100120.9
278H29.3Very low31Very low167 Ų167127.4 Ų127.477%0.77376%0.763SS**  trans72.2131.6169-62.4-85.5000122.3
279S27.1Very low31.1Very low106 Ų106123.7 Ų123.774%0.74175%0.752SS**  trans65.6121.5141.357.30000124.7
280V26Very low31.1Very low129 Ų129129.8 Ų129.878%0.78276%0.761SS**  71.683.7123.9-174.40000120.7
281S25.8Very low29.8Very low102 Ų102129.3 Ų129.371%0.71376%0.76SS**  68.9167.2123.279.10000124.1
282V28.9Very low29Very low124 Ų124130.7 Ų130.775%0.75276%0.76SS**  trans73.3106.2174-170.30000113.7
283S30.2Very low29Very low115 Ų115133.9 Ų133.980%0.80476%0.761SS**  cis93131.344.5-62.40000113.5
284I24.7Very low28.9Very low162 Ų162138.5 Ų138.583%0.83177%0.765SS**  trans-107.7170.1-163.6-70.5173.5000111.9
285S30.3Very low28.8Very low84 Ų84138.5 Ų138.559%0.58777%0.768SS**  trans-49.1174.9171.461.20000113.9
286E27.2Very low28.1Very low174 Ų174144.5 Ų144.581%0.81378%0.776SS**  cis-163.317039-153.9140.8-95.500115.8
287C27.2Very low28.2Very low113 Ų113142.8 Ų142.876%0.76478%0.78SS**  trans-111.4147.2-176.4-54.30000112.3
288T30.7Very low27.9Very low155 Ų155141.7 Ų141.795%0.95179%0.789SS**  trans177.5148.1142.5220000109.9
289G27.9Very low27.8Very low60 Ų60140.6 Ų140.662%0.61979%0.788SS**  cis152.7123.1-13.900000113.3
290R32Very low27.8Very low256 Ų256144.7 Ų144.797%0.96680%0.796SS**  trans75153.7174.3-54.3172.8-174-100.8-1.4115.8
291S26.4Very low28.2Very low103 Ų103146.9 Ų146.972%0.7280%0.795SS**  cis-168.3163.6-28.4-167.80000111.9
292L28.2Very low28.8Very low156 Ų156147.9 Ų147.982%0.81780%0.798SS**  trans112.4105.8152.7-57.8175.6000115.1
293K24.9Very low28.7Very low165 Ų165147 Ų14772%0.71780%0.798SS**  91.5106.162.7-119.9-172.2-179.8-179.20115.3
294W27.9Very low28.6Very low217 Ų217147.3 Ų147.382%0.82280%0.795SS**  trans68.5151.4161.8-53.7132.1000119.4
295P30.8Very low28.7Very low126 Ų126147.4 Ų147.482%0.81879%0.792SS**  -143.5173.294.140.5-26.7000116.1
296R24.2Very low28.5Very low241 Ų241151 Ų15191%0.90980%0.799SS**  trans-135.7132.1156.2-101.2-122.3-75.9-160-3110.5
297A28.4Very low28.5Very low96 Ų96152.1 Ų152.179%0.79380%0.804SS**  trans37.7111.6153.200000121.4
298S28.6Very low28.7Very low124 Ų124152.1 Ų152.187%0.86781%0.805SS**  -168.2129.1126.5550000109.3
299D27Very low28.6Very low144 Ų144151.3 Ų151.377%0.7780%0.801SS**  trans-155.6124.8-175.3-164.1-10.4000112.4
300H27.2Very low28.6Very low193 Ų193153.6 Ų153.689%0.89481%0.807SS**  trans-142.972.6179.4-79.4-11.1000112
301K33.8Very low28.5Very low175 Ų175147.9 Ų147.976%0.76180%0.8SS**  trans50.5113.9141.3-147.8163.1-171.3172.20117.4
302P38.6Very low28.4Very low122 Ų122147.3 Ų147.379%0.79280%0.802SS**  -97.2179.664.334-39.7000113.8
303S26.7Very low28.3Very low107 Ų107144.5 Ų144.575%0.74880%0.801SS**  cis-148.3-162.316.8-159.20000112.8
304V28.3Very low28.3Very low121 Ų121144 Ų14473%0.73381%0.807SS**  trans-135.7127.1173.5172.40000109.9
305Q26.1Very low28.2Very low163 Ų163138.8 Ų138.876%0.76280%0.802SS**  -175.5123113.6-165154.926.200113.7
306H25.7Very low28Very low160 Ų160142 Ų14274%0.74181%0.806SS**  trans27.6114.1165.6-52.3-51.9000122
307Q28.6Very low27.9Very low198 Ų198135 Ų13593%0.92580%0.8SS**  trans-136.8169133.8-71.3-161.315.400109.8
308S29.9Very low27.9Very low112 Ų112135.6 Ų135.678%0.78380%0.798SS**  trans-113.7135.9-173.7-52.60000112
309T29.2Very low27.8Very low139 Ų139137.6 Ų137.685%0.85379%0.794SS**  trans176.1127.6131.339.90000114.5
310S28.7Very low27.9Very low108 Ų108137.2 Ų137.276%0.75579%0.791SS**  trans64.9166.3140.3-147.30000121.9
311T28.5Very low28Very low135 Ų135132.4 Ų132.483%0.82878%0.778SS**  trans65.3148.7172.663.20000117
312A25.1Very low27.7Very low91 Ų91132.6 Ų132.675%0.75278%0.779SS**  cis-160.1-178.8-20.500000109.8
313A26.5Very low27.3Very low97 Ų97132.5 Ų132.580%0.80278%0.777SS**  trans-7.1142.6169.200000120.7
314D24.7Very low27.4Very low155 Ų155133.5 Ų133.583%0.82978%0.778SS**  -157.9-177.496.6-142.2-24.2000112.7
315C26.4Very low27.6Very low108 Ų108132.1 Ų132.173%0.7378%0.78SS**  trans-91.1142.5-165.9-52.20000114.5
316Q25.3Very low27.7Very low192 Ų192130.3 Ų130.390%0.89778%0.78SS**  -169.7121.6128.5-102.3175.334.700107
317A22.4Very low27.9Very low94 Ų94128 Ų12878%0.77778%0.777SS**  93.7139.775.100000112.3
318S29Very low28Very low110 Ų110126.3 Ų126.377%0.76978%0.775SS**  trans-43.2152.8-173.9-48.80000116.8
319E26.5Very low28Very low166 Ų166125.4 Ų125.478%0.77677%0.774SS**  -176.7126.491-89.9-168.2168.500115.6
320I28.7Very low28Very low136 Ų136125.6 Ų125.670%0.69778%0.775SS**  49.1116.4123-52170.3000120.5
321S28.6Very low27.9Very low91 Ų91127.6 Ų127.664%0.63678%0.778SS**  trans90.2137.1139.7-80.80000125.6
322K29.2Very low27.9Very low179 Ų179132.7 Ų132.778%0.77878%0.782SS**  trans84.686.5131.8-72.1166.9-168.7176.90123.1
323T29.3Very low28.1Very low120 Ų120135.3 Ų135.374%0.73678%0.776SS**  6214511155.40000124.5
324T29.5Very low28Very low128 Ų128137.4 Ų137.479%0.78577%0.769SS**  trans78.3106.6144.637.90000122.9
325A31.2Very low28.1Very low93 Ų93137.7 Ų137.777%0.76976%0.763SS**  60.4121.5113.200000122.8
326T28.4Very low28.3Very low125 Ų125138.2 Ų138.277%0.76776%0.759SS**  trans-47.8157.5143.145.50000113.1
327T30.9Very low28.7Very low110 Ų110138 Ų13868%0.67576%0.755SS**  cis-170.3158.2911.20000109.2
328N30.2Very low29.8Very low163 Ų163139 Ų13987%0.87275%0.753SS**  172.7163.4115.5-91.3-47.9000113.2
329A29.8Very low29.8Very low94 Ų94139.6 Ų139.678%0.77775%0.752SS**  trans-118.2163.1-176.400000112.9
330T28.8Very low30.4Very low143 Ų143142 Ų14288%0.87775%0.754SS**  trans-132.4166.1170.158.20000112.5
331N26.6Very low31.1Very low150 Ų150143.7 Ų143.780%0.80276%0.756SS**  trans-92.5154.6-160.3-71.9-82.9000115.5
332R29.3Very low31.3Very low242 Ų242148.9 Ų148.991%0.91377%0.768SS**  trans173.3163.6130.9-90.4149-160.3-95.95.2109.9
333K27.8Very low31.5Very low146 Ų146143.8 Ų143.864%0.63577%0.766SS**  cis-175.6145.6-36.5-174.7-171.4174.7-131.10105.7
334E26.2Very low32.2Very low141 Ų141146.8 Ų146.866%0.65978%0.776SS**  trans66.6161162.7-89.3161.8162.700117.6
335K26.7Very low32.6Very low161 Ų161145.9 Ų145.970%0.778%0.775SS**  cis-161.5161.7-22.1-151.8176.5166-114.40110.8
336D29.4Very low33.2Very low118 Ų118148.5 Ų148.563%0.63178%0.776SS**  trans68.4176156.7-75.2-38.8000121.5
337K33.3Very low33.8Very low189 Ų189151.6 Ų151.682%0.82278%0.779SS**  trans-144.2-163.8-156.3-37.4166.4-173.3162.30108.5
338P46.4Very low34.2Very low114 Ų114157.6 Ų157.674%0.7479%0.789SS**  cis-129.2-167.5-24.238.1-20.4000112.1
339V28.8Very low34.9Very low123 Ų123161.7 Ų161.775%0.74579%0.792SS**  trans168.5141.8130.3150.30000114.3
340R40Very low35Very low215 Ų215164.1 Ų164.181%0.81179%0.792SS**  trans52.3115.2165.4-82.2172.3155.1127.5-6.1119.3
341K41.7Very low35.1Very low173 Ų173161 Ų16175%0.75279%0.789SS**  68.7131.383.2-68.9-174.8-173.2-172.30113
342F33.8Very low35.3Very low200 Ų200159 Ų15988%0.87779%0.793SS**  cis-115.7165.413.2-68.6-105.5000110.8
343G32.4Very low35.7Very low71 Ų71157.1 Ų157.173%0.73279%0.791SS**  81.4119.558.100000109.4
344L45.8Very low36Very low184 Ų184159 Ų15996%0.96380%0.8SS**  cis-127.1170.226.8-66.1162.5000113.4
345S36.7Very low36.2Very low109 Ų109160.1 Ų160.176%0.76281%0.805SS**  trans-137.5142.5168.268.10000111.4
346L43.9Very low37.1Very low148 Ų148162.1 Ų162.178%0.77581%0.813SS**  trans-130.6128.7165.4-74.1177.5000110.7
347F41.8Very low37.5Very low190 Ų190162.3 Ų162.383%0.83382%0.821SS**  trans57.695.9167.7-49.7-61.1000119.1
348R39.3Very low37.5Very low235 Ų235162.7 Ų162.789%0.88782%0.823SS**  trans-81.1155.2149.7-54.2175.7-170.8-112.82.5109.6
349R44.7Very low37.2Very low250 Ų250165.2 Ų165.294%0.94382%0.822SS**  trans-140145.2136.3-149.8169.5-175122.2-1.2109.6
350N31.8Very low37.4Very low144 Ų144167.9 Ų167.977%0.7783%0.827SS**  trans-84.9161.6-179.5-44.1-41.8000108.8
351G29.7Very low37.3Very low79 Ų79167 Ų16781%0.81483%0.825SS**  cis125.2115.55.800000110.7
352A32.5Very low36.8Very low107 Ų107163.5 Ų163.588%0.88483%0.828SS**  trans-139157.6-179.200000111.5
353K36.8Very low36.8Very low203 Ų203159.7 Ų159.788%0.88383%0.826SS**  trans-95.9144.2-168.9-52.1165.8-175.1171.50111.6
354K34.4Very low37Very low185 Ų185166.2 Ų166.280%0.80484%0.835SS**  -168.1120.5120-107.7178.6174.5-173.80113.4
355E30.3Very low36.5Very low165 Ų165163.2 Ų163.277%0.77183%0.829SS**  54120.2118.5-158.2153-143.100120.2
356K45.6Very low36.6Very low202 Ų202161.8 Ų161.888%0.87883%0.831SS**  trans-107.8123.3166.4-66.7-177.3179.1-176.20110.4
357P38.8Very low36.3Very low123 Ų123163.9 Ų163.980%0.79984%0.837SS**  trans-70.6160.5150.5-1833.5000110.9
358K32.3Very low36.4Very low196 Ų196164 Ų16485%0.85284%0.838SS**  trans-92.7154.6178.7-68.3175.9-176.9171.30111.2E360K358-E360 PolarHBondContact O-N 3.33Å
359K40.9Very low36.9Very low167 Ų167157.7 Ų157.773%0.72683%0.827SS**  trans-81.897.2167.7-173.1-175.9-174.8-170.20108.3Y361K359-Y361 HydrophobicContact CD-CE2 4.31Å
360E31.5Very low36.6Very low180 Ų180150.9 Ų150.984%0.84182%0.815SS**  trans-77.4140.9169.4-69.8-177.3158.200109.7K358K358-E360 PolarHBondContact O-N 3.33Å
361Y38.1Very low37.5Very low196 Ų196153.9 Ų153.977%0.76983%0.825SS**  trans-99.1110.5172.3-80.3-103.5000107.2K359K359-Y361 HydrophobicContact CD-CE2 4.31Å
362A32.3Very low38.2Very low99 Ų99158.2 Ų158.282%0.81882%0.824SS**PPolyproline II helixtrans-90.4131.7167.900000109
363S32.7Very low38.8Very low121 Ų121162.7 Ų162.785%0.84682%0.818SS**PPolyproline II helixtrans-72.3149.1175.6-63.70000111.4
364F37.9Very low39.2Very low208 Ų208158.2 Ų158.291%0.91281%0.81SS**PPolyproline II helixtrans-64.3131.5170.8-115.6-116.9000111.1
365S33.8Very low39.7Very low120 Ų120155.5 Ų155.584%0.83981%0.808SS**  trans-179.3132.6130.7-1000000111.9
366G40.3Very low40.5Very low79 Ų79153.4 Ų153.481%0.81479%0.793SS**  trans63.678.9152.100000119
367Q37.2Very low40.5Very low193 Ų193150.1 Ų150.190%0.90279%0.785SS**  trans-145.5145140.9-136.4161.72.600110.3
368F43.8Very low41.2Very low193 Ų193147.6 Ų147.685%0.84676%0.763SS**PPolyproline II helixtrans-70165.1-167.5-72.1-98.8000112.8
369P48.5Very low42.2Very low101 Ų101143.6 Ų143.666%0.65675%0.747SS**SBendtrans-52149.7162.1-22.234000110.8
370P40.5Very low42.8Very low107 Ų107139.6 Ų139.670%0.69573%0.734SS**PPolyproline II helixtrans-59.2141.3177.725.8-34000111E372P370-E372 PolarHBondContact O-N 2.88Å; P370-E372 VanDerWaalsContact O-N 3.14Å
371E49.6Very low43.9Very low207 Ų207137.1 Ų137.197%0.96773%0.726SS**SBendtrans-75.1-2.7-163.5-159.7163.5-174.200114.4
372E43.8Very low44.5Very low171 Ų171134.7 Ų134.780%0.79973%0.726SS**  trans-141.4100.8-176.7-165.1168.7-136.400109.4P370P370-E372 PolarHBondContact O-N 2.88Å; P370-E372 VanDerWaalsContact O-N 3.14Å
373W45.4Very low45.5Very low201 Ų201135.1 Ų135.176%0.76172%0.715SS**PPolyproline II helixtrans-72135.5157.6-76.695.8000107.5V375W373-V375 PolarHBondContact O-N 2.96Å
374P44.8Very low46.9Very low109 Ų109132.5 Ų132.571%0.70869%0.691SS**PPolyproline II helixtrans-53.8126.9165.2-22.133.1000108.4R376P374-R376 PolarHBondContact O-N 3.1Å
375V45.8Very low48.5Very low128 Ų128126.5 Ų126.578%0.77667%0.673SS**PPolyproline II helixtrans-51131.9177.9176.40000108.2W373 D377W373-V375 PolarHBondContact O-N 2.96Å; V375-D377 PolarHBondContact O-N 2.96Å
376R47.6Very low49.9Very low121 Ų121129.3 Ų129.346%0.45767%0.665SS.*  trans-72.5114.5166.3-73.8-72.6175.3-167.9-1.6106.2P374 E378P374-R376 PolarHBondContact O-N 3.1Å; R376-E378 PolarHBondContact O-N 3.46Å
377D45.5Very low51Low132 Ų132131.9 Ų131.971%0.70666%0.66SS**  trans-62.3113.7154.3-54.6-50.3000104.8V375 E379V375-D377 PolarHBondContact O-N 2.96Å; D377-E379 PolarHBondContact O-N 3.43Å
378E53.3Low52.3Low71 Ų71126.9 Ų126.933%0.33264%0.639SS.*THydrogen-bonded Turntrans-74.9-12.4-159.8-77.3-78.483.400112R376 Q921 V923R376-E378 PolarHBondContact O-N 3.46Å; E378-Q921 PolarHBondContact OE1-NE2 3.5Å; E378-V923 HydrophobicContact CB-CB 3.79Å; E378-V923 HydrophobicContact CB-CG1 3.79Å; E378-V923 HydrophobicContact CB-CG2 4.14Å; E378-V923 HydrophobicContact CG-CG2 4.39Å; E378-V923 WeakPolarHBondContact O-CB 3.39Å; E378-V923 WeakPolarHBondContact OE2-CG2 3.35Å
379E52Low53.7Low111 Ų111121.6 Ų121.652%0.51962%0.617SS.*THydrogen-bonded Turntrans-84.4-21.5-171.8-64.471.4-157.400115D377 Q924 Q925D377-E379 PolarHBondContact O-N 3.43Å; E379-Q924 WeakPolarHBondContact CA-O 3.21Å; E379-Q925 PolarHBondContact O-N 3.44Å
380D54.3Low54.4Low83 Ų83121 Ų12144%0.44461%0.605SS.*  trans-127.569.9-165-162.81.1000115.3N382 N383D380-N382 PolarHBondContact O-N 2.93Å; D380-N383 PolarHBondContact O-N 3.06Å; D380-N383 PolarHBondContact OD2-ND2 3Å
381L54.2Low55.7Low128 Ų128117.5 Ų117.567%0.6759%0.585SS**THydrogen-bonded Turntrans-54.1-10.2-177.4-72.5171.8000117V923L381-V923 WeakPolarHBondContact CD1-O 3.45Å
382N52.2Low56.6Low145 Ų145111.1 Ų111.178%0.77556%0.557SS**THydrogen-bonded Turntrans-94.5-15-176.3-68.1-76.3000114.1D380 L384D380-N382 PolarHBondContact O-N 2.93Å; N382-L384 PolarHBondContact O-N 2.97Å
383N51.7Low57.6Low109 Ų109105.9 Ų105.958%0.58353%0.534SS*.  trans-88.566.5-172.5-86.1-49.5000113.6D380D380-N383 PolarHBondContact O-N 3.06Å; D380-N383 PolarHBondContact OD2-ND2 3Å
384L63Low58.7Low66 Ų66104 Ų10435%0.34653%0.531SS..  trans-81.9124.5159.9-17070.7000109.5N382 R386 L388 E389 I392N382-L384 PolarHBondContact O-N 2.97Å; L384-R386 PolarHBondContact O-N 2.87Å; L384-L388 HydrophobicContact CD1-CB 4.47Å; L384-L388 HydrophobicContact CD1-CD2 4.02Å; L384-L388 HydrophobicContact CG-CB 4.44Å; L384-E389 HydrophobicContact CD2-CB 4.05Å; L384-I392 HydrophobicContact CD2-CD1 4.25Å
385P71.8Confident59.8Low82 Ų82108 Ų10853%0.53253%0.532SS..  trans-56.2126.9175.9-27.535.9000111.4D387 L388 E389P385-D387 PolarHBondContact O-N 2.9Å; P385-L388 WeakPolarHBondContact O-CA 3.4Å; P385-L388 VanDerWaalsContact O-CB 3.3Å; P385-L388 WeakPolarHBondContact O-CB 3.33Å; P385-L388 PolarHBondContact O-N 3.42Å; P385-E389 PolarHBondContact O-N 2.65Å; P385-E389 VanDerWaalsContact O-N 3.11Å
386R61.7Low60.6Low179 Ų179108.4 Ų108.468%0.67553%0.528SS*.Hα-helixtrans-56.9-26.9-171.8-176.8167-68-177.44114.1L384 H390L384-R386 PolarHBondContact O-N 2.87Å; R386-H390 VanDerWaalsContact CG-CE1 3.45Å; R386-H390 WeakPolarHBondContact CG-CE1 3.47Å; R386-H390 WeakPolarHBondContact O-CB 3.42Å; R386-H390 VanDerWaalsContact O-CG 3.29Å; R386-H390 PolarHBondContact O-N 2.82Å; R386-H390 PolarHBondContact O-ND1 2.81Å
387D63.7Low61Low132 Ų132106 Ų10671%0.70652%0.524SS*.Hα-helixtrans-72.7-32174.5-64-42.4000112.6P385 A391P385-D387 PolarHBondContact O-N 2.9Å; D387-A391 WeakPolarHBondContact O-CB 3.25Å; D387-A391 PolarHBondContact O-N 2.82Å
388L64.4Low61.8Low89 Ų89104.6 Ų104.647%0.46652%0.523SS..Hα-helixtrans-71.3-43.8172-136.578.4000110.7L384 P385 A391 I392L384-L388 HydrophobicContact CD1-CB 4.47Å; L384-L388 HydrophobicContact CD1-CD2 4.02Å; L384-L388 HydrophobicContact CG-CB 4.44Å; P385-L388 WeakPolarHBondContact O-CA 3.4Å; P385-L388 VanDerWaalsContact O-CB 3.3Å; P385-L388 WeakPolarHBondContact O-CB 3.33Å; P385-L388 PolarHBondContact O-N 3.42Å; L388-A391 CarbonylContact O-C 3.46Å; L388-A391 PolarHBondContact O-N 2.94Å; L388-A391 VanDerWaalsContact O-N 3.16Å; L388-I392 VanDerWaalsContact O-CG1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.29Å; L388-I392 PolarHBondContact O-N 3.17Å
389E74.6Confident61.9Low82 Ų82108.6 Ų108.638%0.38354%0.541SS..Hα-helixtrans-53.3-55.6172.9-171.1-158.7170.900110.9L384 P385 A391 I392 I393L384-E389 HydrophobicContact CD2-CB 4.05Å; P385-E389 PolarHBondContact O-N 2.65Å; P385-E389 VanDerWaalsContact O-N 3.11Å; E389-A391 VanDerWaalsContact C-N 3.3Å; E389-A391 PolarHBondContact O-N 3.05Å; E389-I392 PolarHBondContact O-N 3.47Å; E389-I392 VanDerWaalsContact O-N 3.11Å; E389-I393 HydrophobicContact CG-CD1 3.98Å; E389-I393 WeakPolarHBondContact O-CG1 3.33Å; E389-I393 PolarHBondContact O-N 3.46Å
390H62.1Low62.4Low88 Ų88106.8 Ų106.841%0.40754%0.535SS..Hα-helixtrans-60.6-37.2176.4-70.8138.3000112.8R386 I392 K394R386-H390 VanDerWaalsContact CG-CE1 3.45Å; R386-H390 WeakPolarHBondContact CG-CE1 3.47Å; R386-H390 WeakPolarHBondContact O-CB 3.42Å; R386-H390 VanDerWaalsContact O-CG 3.29Å; R386-H390 PolarHBondContact O-N 2.82Å; R386-H390 PolarHBondContact O-ND1 2.81Å; H390-I392 VanDerWaalsContact C-N 3.3Å; H390-I392 PolarHBondContact O-N 2.9Å; H390-K394 WeakPolarHBondContact O-CB 3.2Å; H390-K394 PolarHBondContact O-N 2.91Å
391A69.1Low63Low33 Ų33105.9 Ų105.927%0.27353%0.533SS..Hα-helixtrans-73.2-19.3177.600000113.6D387 L388 E389 R395D387-A391 WeakPolarHBondContact O-CB 3.25Å; D387-A391 PolarHBondContact O-N 2.82Å; L388-A391 CarbonylContact O-C 3.46Å; L388-A391 PolarHBondContact O-N 2.94Å; L388-A391 VanDerWaalsContact O-N 3.16Å; E389-A391 VanDerWaalsContact C-N 3.3Å; E389-A391 PolarHBondContact O-N 3.05Å; A391-R395 VanDerWaalsContact O-CG 3.26Å; A391-R395 WeakPolarHBondContact O-CG 3.25Å; A391-R395 PolarHBondContact O-NH1 2.87Å
392I66.7Low63.5Low74 Ų74104.6 Ų104.638%0.37953%0.53SS..Hα-helixtrans-81.7-53170.5-71.2162000109.3L384 L388 E389 H390 K394 R395 I396L384-I392 HydrophobicContact CD2-CD1 4.25Å; L388-I392 VanDerWaalsContact O-CG1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.29Å; L388-I392 PolarHBondContact O-N 3.17Å; E389-I392 PolarHBondContact O-N 3.47Å; E389-I392 VanDerWaalsContact O-N 3.11Å; H390-I392 VanDerWaalsContact C-N 3.3Å; H390-I392 PolarHBondContact O-N 2.9Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.29Å; I392-R395 PolarHBondContact O-N 2.83Å; I392-I396 HydrophobicContact CG2-CD1 3.6Å; I392-I396 HydrophobicContact CG2-CG1 4.33Å; I392-I396 WeakPolarHBondContact O-CG1 3.34Å; I392-I396 PolarHBondContact O-N 3.26Å
393I66.4Low64.2Low61 Ų61102.5 Ų102.531%0.31352%0.519SS..Hα-helixtrans-52.5-47.1177.8-67.6167.2000111E389 R395 I396 N397 L400E389-I393 HydrophobicContact CG-CD1 3.98Å; E389-I393 WeakPolarHBondContact O-CG1 3.33Å; E389-I393 PolarHBondContact O-N 3.46Å; I393-R395 VanDerWaalsContact C-N 3.29Å; I393-R395 PolarHBondContact O-N 2.98Å; I393-I396 PolarHBondContact O-N 3.42Å; I393-N397 PolarHBondContact O-N 3.44Å; I393-L400 HydrophobicContact CG2-CD2 3.88Å
394K67.4Low65Low160 Ų160100.4 Ų100.470%0.69651%0.507SS*.Hα-helixtrans-71-17.8-179.2-169173.9-178178.30114.3H390 I392H390-K394 WeakPolarHBondContact O-CB 3.2Å; H390-K394 PolarHBondContact O-N 2.91Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.29Å
395R67.6Low65.4Low194 Ų194101.6 Ų101.673%0.73251%0.514SS*.Hα-helixtrans-85.3-41169.7-79.2179.8-177.9103.4-15.1111.8A391 I392 I393A391-R395 VanDerWaalsContact O-CG 3.26Å; A391-R395 WeakPolarHBondContact O-CG 3.25Å; A391-R395 PolarHBondContact O-NH1 2.87Å; I392-R395 PolarHBondContact O-N 2.83Å; I393-R395 VanDerWaalsContact C-N 3.29Å; I393-R395 PolarHBondContact O-N 2.98Å
396I62.4Low65.8Low137 Ų137101.4 Ų101.470%0.70351%0.511SS*.Hα-helixtrans-67.2-41.5-180-67.6173.2000111.1I392 I393I392-I396 HydrophobicContact CG2-CD1 3.6Å; I392-I396 HydrophobicContact CG2-CG1 4.33Å; I392-I396 WeakPolarHBondContact O-CG1 3.34Å; I392-I396 PolarHBondContact O-N 3.26Å; I393-I396 PolarHBondContact O-N 3.42Å
397N56.1Low66.3Low69 Ų6999.4 Ų99.437%0.36950%0.503SS..  trans-143.498.6174.6-173.6-16.8000111.2I393 E399 L400I393-N397 PolarHBondContact O-N 3.44Å; N397-E399 PolarHBondContact O-N 3.43Å; N397-E399 PolarHBondContact OD1-N 3.17Å; N397-E399 VanDerWaalsContact OD1-N 3.11Å; N397-L400 HydrophobicContact CB-CB 3.86Å; N397-L400 WeakPolarHBondContact O-CB 3.24Å; N397-L400 PolarHBondContact O-N 2.72Å; N397-L400 PolarHBondContact OD1-N 3.07Å
398P62.2Low66.6Low104 Ų10498.4 Ų98.468%0.67549%0.494SS*.THydrogen-bonded Turntrans-69.7-13.4-176.828.5-35.5000114.2
399E57.3Low67.5Low154 Ų15498 Ų9872%0.7250%0.495SS*.THydrogen-bonded Turntrans-91.4-6.4172.1-64.3-162.8178.900113.2N397 T401 N404N397-E399 PolarHBondContact O-N 3.43Å; N397-E399 PolarHBondContact OD1-N 3.17Å; N397-E399 VanDerWaalsContact OD1-N 3.11Å; E399-T401 PolarHBondContact O-N 3.15Å; E399-N404 PolarHBondContact O-ND2 2.88Å
400L60.4Low68Low73 Ų7398.5 Ų98.538%0.38250%0.504SS..  trans-77.562.4175.7-156.181.7000111.7I393 N397I393-L400 HydrophobicContact CG2-CD2 3.88Å; N397-L400 HydrophobicContact CB-CB 3.86Å; N397-L400 WeakPolarHBondContact O-CB 3.24Å; N397-L400 PolarHBondContact O-N 2.72Å; N397-L400 PolarHBondContact OD1-N 3.07Å
401T67.4Low68.7Low65 Ų6599.2 Ų99.240%0.39951%0.51SS..  trans-57.3149.6167.253.60000110.8E399 D403 N404 L405E399-T401 PolarHBondContact O-N 3.15Å; T401-D403 PolarHBondContact O-N 3.39Å; T401-N404 WeakPolarHBondContact O-CA 3.39Å; T401-N404 WeakPolarHBondContact O-CB 3.46Å; T401-N404 PolarHBondContact O-N 3.44Å; T401-N404 WeakPolarHBondContact OG1-CB 3.41Å; T401-N404 PolarHBondContact OG1-N 3.3Å; T401-N404 PolarHBondContact OG1-ND2 3Å; T401-L405 PolarHBondContact O-N 2.92Å; T401-L405 VanDerWaalsContact O-N 3.11Å
402V66.2Low69.2Low100 Ų100102.3 Ų102.361%0.60652%0.52SS*.Hα-helixtrans-51.4-42.6172.8-179.60000110.1N404 L405 T406V402-N404 VanDerWaalsContact C-N 3.31Å; V402-N404 PolarHBondContact O-N 3.42Å; V402-L405 PolarHBondContact O-N 3.12Å; V402-L405 VanDerWaalsContact O-N 3.12Å; V402-T406 PolarHBondContact O-N 2.55Å; V402-T406 PolarHBondContact O-OG1 2.97Å; V402-T406 VanDerWaalsContact O-OG1 3.05Å
403D65.5Low69.9Low102 Ų102106.4 Ų106.455%0.54554%0.535SS..Hα-helixtrans-56.2-38.1174.3-66.2-22.3000114.3T401 R407T401-D403 PolarHBondContact O-N 3.39Å; D403-R407 VanDerWaalsContact O-CB 3.28Å; D403-R407 WeakPolarHBondContact O-CB 3.41Å; D403-R407 VanDerWaalsContact O-CG 3.25Å; D403-R407 WeakPolarHBondContact O-CG 2.98Å; D403-R407 PolarHBondContact O-N 2.92Å; D403-R407 PolarHBondContact O-NE 2.84Å
404N69.6Low70.8Confident65 Ų65110.1 Ų110.135%0.34855%0.549SS..Hα-helixtrans-70.3-40.8176-85.7-18.8000111.4E399 T401 V402 R407 H408E399-N404 PolarHBondContact O-ND2 2.88Å; T401-N404 WeakPolarHBondContact O-CA 3.39Å; T401-N404 WeakPolarHBondContact O-CB 3.46Å; T401-N404 PolarHBondContact O-N 3.44Å; T401-N404 WeakPolarHBondContact OG1-CB 3.41Å; T401-N404 PolarHBondContact OG1-N 3.3Å; T401-N404 PolarHBondContact OG1-ND2 3Å; V402-N404 VanDerWaalsContact C-N 3.31Å; V402-N404 PolarHBondContact O-N 3.42Å; N404-R407 PolarHBondContact O-N 3.42Å; N404-R407 PolarHBondContact OD1-NE 3.37Å; N404-R407 PolarHBondContact OD1-NH2 3.2Å; N404-H408 WeakPolarHBondContact O-CB 3.34Å; N404-H408 PolarHBondContact O-N 3.44Å
405L71.7Confident71.1Confident91 Ų91107.3 Ų107.348%0.47654%0.541SS..Hα-helixtrans-64.8-47.7174.9-175.460.6000111.1T401 V402 R407 H408 T409T401-L405 PolarHBondContact O-N 2.92Å; T401-L405 VanDerWaalsContact O-N 3.11Å; V402-L405 PolarHBondContact O-N 3.12Å; V402-L405 VanDerWaalsContact O-N 3.12Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 2.88Å; L405-H408 WeakPolarHBondContact O-CB 3.42Å; L405-H408 PolarHBondContact O-N 2.94Å; L405-H408 VanDerWaalsContact O-N 3.1Å; L405-T409 PolarHBondContact O-N 2.87Å; L405-T409 PolarHBondContact O-OG1 2.87Å; L405-T409 VanDerWaalsContact O-OG1 3.13Å
406T78.3Confident71.6Confident77 Ų77103 Ų10347%0.47253%0.529SS..Hα-helixtrans-59.2-43.2175.1-54.40000111.7V402 H408 T409 V410V402-T406 PolarHBondContact O-N 2.55Å; V402-T406 PolarHBondContact O-OG1 2.97Å; V402-T406 VanDerWaalsContact O-OG1 3.05Å; T406-H408 VanDerWaalsContact C-N 3.34Å; T406-H408 PolarHBondContact O-N 3.19Å; T406-T409 PolarHBondContact O-N 3.31Å; T406-V410 HydrophobicContact CG2-CG2 4.49Å; T406-V410 WeakPolarHBondContact O-CB 3.45Å; T406-V410 VanDerWaalsContact O-CG2 3.29Å; T406-V410 WeakPolarHBondContact O-CG2 3.35Å; T406-V410 PolarHBondContact O-N 2.83Å
407R74.2Confident72.3Confident138 Ų138100.4 Ų100.452%0.52151%0.514SS..Hα-helixtrans-58.2-44.1173.1-83.5-175.4-74.8-89.53.4111.9D403 N404 L405 L411D403-R407 VanDerWaalsContact O-CB 3.28Å; D403-R407 WeakPolarHBondContact O-CB 3.41Å; D403-R407 VanDerWaalsContact O-CG 3.25Å; D403-R407 WeakPolarHBondContact O-CG 2.98Å; D403-R407 PolarHBondContact O-N 2.92Å; D403-R407 PolarHBondContact O-NE 2.84Å; N404-R407 PolarHBondContact O-N 3.42Å; N404-R407 PolarHBondContact OD1-NE 3.37Å; N404-R407 PolarHBondContact OD1-NH2 3.2Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 2.88Å; R407-L411 WeakPolarHBondContact O-CB 3.48Å; R407-L411 PolarHBondContact O-N 2.87Å
408H69.4Low72.9Confident111 Ų111106 Ų10651%0.51453%0.53SS..Hα-helixtrans-65.6-48.1178.9-172.8-97.3000112.1N404 L405 T406 V410 L411 M412N404-H408 WeakPolarHBondContact O-CB 3.34Å; N404-H408 PolarHBondContact O-N 3.44Å; L405-H408 WeakPolarHBondContact O-CB 3.42Å; L405-H408 PolarHBondContact O-N 2.94Å; L405-H408 VanDerWaalsContact O-N 3.1Å; T406-H408 VanDerWaalsContact C-N 3.34Å; T406-H408 PolarHBondContact O-N 3.19Å; H408-V410 VanDerWaalsContact C-N 3.34Å; H408-V410 PolarHBondContact O-N 2.97Å; H408-L411 WeakPolarHBondContact O-CA 3.37Å; H408-L411 VanDerWaalsContact O-CB 3.3Å; H408-L411 WeakPolarHBondContact O-CB 3.15Å; H408-L411 PolarHBondContact O-N 3.34Å; H408-M412 WeakPolarHBondContact O-CG 3.36Å; H408-M412 PolarHBondContact O-N 3.23Å
409T83.6Confident73.3Confident80 Ų80109.9 Ų109.949%0.49153%0.531SS..Hα-helixtrans-61.2-40178.2-56.90000112.1L405 T406 L411 M412 K413L405-T409 PolarHBondContact O-N 2.87Å; L405-T409 PolarHBondContact O-OG1 2.87Å; L405-T409 VanDerWaalsContact O-OG1 3.13Å; T406-T409 PolarHBondContact O-N 3.31Å; T409-L411 VanDerWaalsContact C-N 3.33Å; T409-M412 PolarHBondContact O-N 2.91Å; T409-K413 WeakPolarHBondContact O-CB 3.36Å; T409-K413 PolarHBondContact O-N 3.22Å
410V84.6Confident73.5Confident92 Ų92107.8 Ų107.856%0.55852%0.521SS*.Hα-helixtrans-65.4-35.8172.71700000111.7T406 H408 K414T406-V410 HydrophobicContact CG2-CG2 4.49Å; T406-V410 WeakPolarHBondContact O-CB 3.45Å; T406-V410 VanDerWaalsContact O-CG2 3.29Å; T406-V410 WeakPolarHBondContact O-CG2 3.35Å; T406-V410 PolarHBondContact O-N 2.83Å; H408-V410 VanDerWaalsContact C-N 3.34Å; H408-V410 PolarHBondContact O-N 2.97Å; V410-K414 WeakPolarHBondContact O-CB 3.45Å; V410-K414 PolarHBondContact O-N 2.89Å
411L77.1Confident73.5Confident103 Ų103109.9 Ų109.954%0.53952%0.524SS..Hα-helixtrans-65.6-46.3175.1-121.2168.9000111.9R407 H408 T409 K414 L415R407-L411 WeakPolarHBondContact O-CB 3.48Å; R407-L411 PolarHBondContact O-N 2.87Å; H408-L411 WeakPolarHBondContact O-CA 3.37Å; H408-L411 VanDerWaalsContact O-CB 3.3Å; H408-L411 WeakPolarHBondContact O-CB 3.15Å; H408-L411 PolarHBondContact O-N 3.34Å; T409-L411 VanDerWaalsContact C-N 3.33Å; L411-K414 PolarHBondContact O-N 2.8Å; L411-L415 WeakPolarHBondContact O-CG 3.25Å; L411-L415 PolarHBondContact O-N 2.94Å; L411-L415 VanDerWaalsContact O-N 3.07Å
412M78.1Confident73.1Confident98 Ų98109 Ų10948%0.48353%0.528SS..Hα-helixtrans-62.8-50.1177.4-68-59.9-69.900111.3H408 T409 K414 L415 E416H408-M412 WeakPolarHBondContact O-CG 3.36Å; H408-M412 PolarHBondContact O-N 3.23Å; T409-M412 PolarHBondContact O-N 2.91Å; M412-K414 PolarHBondContact O-N 2.82Å; M412-L415 WeakPolarHBondContact O-CA 3.33Å; M412-L415 WeakPolarHBondContact O-CB 3.36Å; M412-L415 PolarHBondContact O-N 3.42Å; M412-L415 HydrophobicContact SD-CD1 4.45Å; M412-E416 PolarHBondContact O-N 3.39Å
413K82.8Confident72.5Confident161 Ų161108.3 Ų108.370%0.752%0.524SS*.Hα-helixtrans-58.3-34176.5-173165.6-175.7167.30112.6T409 E416 E417T409-K413 WeakPolarHBondContact O-CB 3.36Å; T409-K413 PolarHBondContact O-N 3.22Å; K413-E416 WeakPolarHBondContact O-CB 3.45Å; K413-E416 PolarHBondContact O-N 2.76Å; K413-E417 VanDerWaalsContact O-CB 3.24Å; K413-E417 WeakPolarHBondContact O-CB 3.05Å; K413-E417 PolarHBondContact O-N 3.14Å
414K85.2Confident71.7Confident139 Ų139108.5 Ų108.560%0.60453%0.525SS*.Hα-helixtrans-74.9-21.5175.7-173.7172-177.61740113.9V410 L411 M412 R418V410-K414 WeakPolarHBondContact O-CB 3.45Å; V410-K414 PolarHBondContact O-N 2.89Å; L411-K414 PolarHBondContact O-N 2.8Å; M412-K414 PolarHBondContact O-N 2.82Å; K414-R418 WeakPolarHBondContact O-CB 3.42Å; K414-R418 PolarHBondContact O-N 3.24Å
415L72.9Confident70.7Confident100 Ų100114 Ų11452%0.52455%0.546SS..Hα-helixtrans-79.3-40.2169.6-70.1169.7000110.9L411 M412 R418 R419L411-L415 WeakPolarHBondContact O-CG 3.25Å; L411-L415 PolarHBondContact O-N 2.94Å; L411-L415 VanDerWaalsContact O-N 3.07Å; M412-L415 WeakPolarHBondContact O-CA 3.33Å; M412-L415 WeakPolarHBondContact O-CB 3.36Å; M412-L415 PolarHBondContact O-N 3.42Å; M412-L415 HydrophobicContact SD-CD1 4.45Å; L415-R418 WeakPolarHBondContact O-CB 3.13Å; L415-R418 PolarHBondContact O-N 3.47Å; L415-R418 VanDerWaalsContact O-N 3.14Å; L415-R419 PolarHBondContact O-N 3.19Å
416E79.6Confident69.9Low104 Ų104116.3 Ų116.349%0.48656%0.557SS.*Hα-helixtrans-57-56.4171.6-149.491.6-93.900111M412 K413 R418 R419 E420M412-E416 PolarHBondContact O-N 3.39Å; K413-E416 WeakPolarHBondContact O-CB 3.45Å; K413-E416 PolarHBondContact O-N 2.76Å; E416-R418 PolarHBondContact O-N 2.81Å; E416-R419 WeakPolarHBondContact O-CA 3.28Å; E416-R419 VanDerWaalsContact O-CB 3.3Å; E416-R419 WeakPolarHBondContact O-CB 3.49Å; E416-R419 PolarHBondContact O-N 2.92Å; E416-E420 WeakPolarHBondContact O-CG 3.36Å; E416-E420 PolarHBondContact O-N 2.68Å
417E76.6Confident68.5Low82 Ų82119.8 Ų119.838%0.38357%0.572SS.*Hα-helixtrans-59.5-17.4176.7-165.7-143175.200112.1K413 E420 R421K413-E417 VanDerWaalsContact O-CB 3.24Å; K413-E417 WeakPolarHBondContact O-CB 3.05Å; K413-E417 PolarHBondContact O-N 3.14Å; E417-E420 WeakPolarHBondContact CA-OE2 3.33Å; E417-R421 VanDerWaalsContact CG-NH2 3.31Å; E417-R421 WeakPolarHBondContact O-CG 3.39Å; E417-R421 PolarHBondContact O-NE 2.94Å; E417-R421 PolarHBondContact O-NH2 3.02Å; E417-R421 IonicContact OE1-CZ 3.16Å; E417-R421 IonicContact OE1-NH1 2.67Å; E417-R421 PolarHBondContact OE1-NH1 3.33Å; E417-R421 IonicContact OE1-NH2 3.26Å; E417-R421 PolarHBondContact OE1-NH2 3.33Å; E417-R421 IonicContact OE2-CZ 3.49Å; E417-R421 IonicContact OE2-NH1 3.57Å; E417-R421 IonicContact OE2-NH2 2.74Å; E417-R421 PolarHBondContact OE2-NH2 3.11Å
418R68.9Low67Low188 Ų188120.4 Ų120.471%0.70959%0.585SS**Hα-helixtrans-91.5-26.9173.5-168.9178.3-174.1861.2112.9K414 L415 E416K414-R418 WeakPolarHBondContact O-CB 3.42Å; K414-R418 PolarHBondContact O-N 3.24Å; L415-R418 WeakPolarHBondContact O-CB 3.13Å; L415-R418 PolarHBondContact O-N 3.47Å; L415-R418 VanDerWaalsContact O-N 3.14Å; E416-R418 PolarHBondContact O-N 2.81Å
419R70.8Confident65.8Low185 Ų185126.9 Ų126.970%0.69861%0.605SS**Hα-helixtrans-69-50.1169.6175.7-171.7-71.9-86.54.7110L415 E416 G422 V423L415-R419 PolarHBondContact O-N 3.19Å; E416-R419 WeakPolarHBondContact O-CA 3.28Å; E416-R419 VanDerWaalsContact O-CB 3.3Å; E416-R419 WeakPolarHBondContact O-CB 3.49Å; E416-R419 PolarHBondContact O-N 2.92Å; R419-G422 WeakPolarHBondContact O-CA 3.31Å; R419-G422 PolarHBondContact O-N 3.37Å; R419-V423 PolarHBondContact O-N 2.85Å
420E61.7Low63.4Low109 Ų109126.6 Ų126.651%0.50962%0.619SS.*Hα-helixtrans-58-53.8-178.6-66.3166.6154.800111.7E416 E417 G422 V423 D424E416-E420 WeakPolarHBondContact O-CG 3.36Å; E416-E420 PolarHBondContact O-N 2.68Å; E417-E420 WeakPolarHBondContact CA-OE2 3.33Å; E420-G422 PolarHBondContact O-N 3.13Å; E420-V423 PolarHBondContact O-N 3.24Å; E420-D424 PolarHBondContact O-N 2.92Å
421R59.3Low61.3Low118 Ų118129.6 Ų129.645%0.44563%0.631SS.*Hα-helixtrans-64.7-2.6174.1-67.9-179.8-62.3-150.1-12.4114.9E417E417-R421 VanDerWaalsContact CG-NH2 3.31Å; E417-R421 WeakPolarHBondContact O-CG 3.39Å; E417-R421 PolarHBondContact O-NE 2.94Å; E417-R421 PolarHBondContact O-NH2 3.02Å; E417-R421 IonicContact OE1-CZ 3.16Å; E417-R421 IonicContact OE1-NH1 2.67Å; E417-R421 PolarHBondContact OE1-NH1 3.33Å; E417-R421 IonicContact OE1-NH2 3.26Å; E417-R421 PolarHBondContact OE1-NH2 3.33Å; E417-R421 IonicContact OE2-CZ 3.49Å; E417-R421 IonicContact OE2-NH1 3.57Å; E417-R421 IonicContact OE2-NH2 2.74Å; E417-R421 PolarHBondContact OE2-NH2 3.11Å
422G58.2Low59.6Low46 Ų46131.5 Ų131.547%0.47464%0.642SS.*Hα-helixtrans-88-21.8168.300000113.5R419 E420R419-G422 WeakPolarHBondContact O-CA 3.31Å; R419-G422 PolarHBondContact O-N 3.37Å; E420-G422 PolarHBondContact O-N 3.13Å
423V55.1Low58Low86 Ų86132.8 Ų132.852%0.52166%0.66SS.*Hα-helixtrans-93.5-44.7-178.2-1780000111.3R419 E420 K425 I426R419-V423 PolarHBondContact O-N 2.85Å; E420-V423 PolarHBondContact O-N 3.24Å; V423-K425 PolarHBondContact O-N 3.37Å; V423-I426 PolarHBondContact O-N 2.97Å
424D49.2Very low55.8Low106 Ų106133.7 Ų133.757%0.56767%0.667SS**G310 helixtrans-55.4-26.8-177.7-67-27.4000113.9E420 I426 L427E420-D424 PolarHBondContact O-N 2.92Å; D424-I426 PolarHBondContact O-N 3.25Å; D424-I426 VanDerWaalsContact O-N 3.14Å; D424-L427 PolarHBondContact O-N 3.04Å
425K48.1Very low53.6Low180 Ų180132.6 Ų132.678%0.78367%0.667SS**G310 helixtrans-742.4-179.6-63.8-166.3176.2-166.10114.9V423V423-K425 PolarHBondContact O-N 3.37Å
426I53.8Low51.9Low140 Ų140136.4 Ų136.472%0.71868%0.68SS**G310 helixtrans-106.5-14.5179.9-61.1178.2000111.6V423 D424V423-I426 PolarHBondContact O-N 2.97Å; D424-I426 PolarHBondContact O-N 3.25Å; D424-I426 VanDerWaalsContact O-N 3.14Å
427L49.9Very low49.7Very low149 Ų149135.3 Ų135.378%0.7870%0.696SS**THydrogen-bonded Turntrans-105.1-14.2-176.5-65.6175.1000114.9D424 R429D424-L427 PolarHBondContact O-N 3.04Å; L427-R429 PolarHBondContact O-N 3.26Å
428D43.1Very low47.8Very low151 Ų151137.6 Ų137.681%0.80772%0.716SS**SBendtrans-9052.2-178.2-17132.1000113.4
429R42.8Very low46.1Very low247 Ų247134.9 Ų134.993%0.93272%0.715SS**  trans-158.546.4173-139.1175.5-156-81.8-6117.3L427L427-R429 PolarHBondContact O-N 3.26Å
430G34.4Very low44.5Very low75 Ų75135.6 Ų135.677%0.77372%0.723SS**  trans-135.3122.6167.700000110.6
431L40.8Very low43.3Very low155 Ų155134 Ų13481%0.81274%0.737SS**  trans-102.1147.4-173.3-81.3151.5000112.5
432D41.3Very low42Very low143 Ų143136.8 Ų136.877%0.76576%0.757SS**  trans48.3108.5143.7-48.6-17.5000120.7
433S42.9Very low40.8Very low124 Ų124139.3 Ų139.387%0.86777%0.768SS**  -163.2140.7128.6-168.80000110.7
434E38.3Very low40Very low181 Ų181142 Ų14285%0.84678%0.784SS**  trans-86.8148.7163.8-58.2-163.616700110.2
435D38Very low39.3Very low115 Ų115143.5 Ų143.562%0.61579%0.792SS**  179.3168.198.2-15815.6000112.7
436K38.1Very low38.5Very low180 Ų180142.4 Ų142.478%0.78379%0.793SS**  trans-28.1137.6177.2-57.2148-162.278.30117.4
437G32.8Very low37.4Very low81 Ų81141.7 Ų141.784%0.83579%0.79SS**  trans-176.3119.3160.900000115
438V36.5Very low36.4Very low131 Ų131139.1 Ų139.179%0.79478%0.781SS**  trans-95.2151.9-174.8-159.30000112.2
439N32.3Very low35.8Very low131 Ų131142 Ų14270%0.70178%0.782SS**  trans97.7131.5155-68.1-65000120.8
440K38.4Very low35Very low199 Ų199135.1 Ų135.187%0.86577%0.772SS**  trans62.5126.3149.2-67.9176.3179.1179.30117.6
441G36.2Very low34.6Very low77 Ų77139.9 Ų139.979%0.79477%0.771SS**  trans-73.7163.2-179.300000113.7
442M31.5Very low33.9Very low175 Ų175139 Ų13986%0.86276%0.763SS**  trans-139.1150.2174.2-165.458.466.700109.9
443S34Very low33.2Very low100 Ų100141.1 Ų141.170%0.69976%0.76SS**  trans-64.4155.7173-171.30000111.9
444T37.8Very low32.4Very low142 Ų142140.9 Ų140.987%0.87175%0.745SS**  trans-129.369.516849.30000111
445D33.2Very low31.8Very low138 Ų138139.6 Ų139.674%0.73874%0.739SS**  trans-101.4174.7148.4-134.8-37.2000108.3
446I31.9Very low31.3Very low156 Ų156143 Ų14380%0.875%0.75SS**  trans79.5141.3176.6-56.4170.8000116.4
447L30.6Very low30.8Very low126 Ų126142.3 Ų142.366%0.6675%0.754SS**  cis-171.6138.2-37-145.474.9000111.7
448T30.4Very low30.6Very low95 Ų95143.2 Ų143.258%0.58375%0.748SS**  trans61.8170.1144.9420000123.4
449Y28.7Very low30.2Very low211 Ų211146.3 Ų146.383%0.82775%0.751SS**  trans84139.5160.6-58.1-63.2000118.5
450S26.6Very low29.8Very low103 Ų103145 Ų14572%0.7276%0.758SS**  cis-158.9160.8-15.965.40000115.3
451K26.5Very low29.2Very low175 Ų175139.2 Ų139.276%0.76176%0.755SS**  trans18.7137.6151.5-74.7-180178.4173.70123.6
452H25.5Very low28.8Very low136 Ų136139.8 Ų139.863%0.6376%0.761SS**  98.2122.1127-83.6-13.3000123.1
453R26.1Very low28.7Very low188 Ų188135.4 Ų135.471%0.70976%0.761SS**  trans65.5156.4133.1-65.5178.4-175.3-126.17.3117.4
454H26.3Very low28.5Very low119 Ų119140.2 Ų140.255%0.55177%0.769SS**  cis-161.8150.7-10.4-113.4-21.8000109
455H27.1Very low28.3Very low154 Ų154144.4 Ų144.471%0.71377%0.769SS**  trans60.9169.8166.9-55.6-53.9000115.3
456H26.6Very low28.1Very low185 Ų185145.5 Ų145.586%0.85677%0.774SS**  cis-135.1172.918.1-78.2-95.3000114.5
457L27.5Very low27.8Very low166 Ų166142.3 Ų142.387%0.86977%0.765SS**  trans-97.3165.3177.1-16177.8000111.8
458S27.8Very low27.8Very low100 Ų100144.4 Ų144.470%0.69977%0.772SS**  trans92.7162148.786.40000120.7
459K28.5Very low27.8Very low196 Ų196148.9 Ų148.985%0.85278%0.783SS**  trans62.4116.3179.8-73.2172.6177.3171.50115.3
460A25.4Very low27.9Very low105 Ų105145.4 Ų145.487%0.86878%0.778SS**  cis71.5130.933.200000114.9
461G25.5Very low28Very low77 Ų77144.9 Ų144.979%0.79477%0.774SS**  trans152.7135.9178.800000111.3
462G26.9Very low28.4Very low89 Ų89147.9 Ų147.992%0.91878%0.781SS**  trans-74170.6-164.100000117.4
463G28.9Very low28.5Very low83 Ų83145.8 Ų145.886%0.85678%0.781SS**  trans18077.6-179.900000113.2
464K31.7Very low28.8Very low201 Ų201145.9 Ų145.987%0.87479%0.787SS**  trans-89.2130175.3-73.3177.6-179.1171.10111.1
465R31.8Very low29.1Very low229 Ų229152 Ų15286%0.86481%0.805SS**  trans34.3118144.2-53.5175.2-175.8171.1-1119.3
466L28.8Very low29.3Very low162 Ų162155.8 Ų155.885%0.84881%0.813SS**  trans-166.8122.3132.6-92.5128.5000105.5
467S26.2Very low29.4Very low88 Ų88152.5 Ų152.562%0.61581%0.806SS**  cis92.4142.327.189.60000114.6
468Q31.6Very low29.4Very low171 Ų171153.6 Ų153.680%0.79981%0.806SS**  trans84.3132.9-180-55.6-175.15.400114
469K30.6Very low29.5Very low189 Ų189153.3 Ų153.382%0.82280%0.804SS**  cis77.114042.8-68.6-177.3177.5-178.30111.5
470L30.9Very low29.6Very low137 Ų137149.1 Ų149.172%0.71780%0.8SS**  cis-162.21289.4-119.5163.9000112.5
471S28.5Very low29.8Very low92 Ų92155.8 Ų155.864%0.64380%0.803SS**  trans66.6178.3132.875.10000124
472R33.2Very low29.9Very low238 Ų238160.5 Ų160.590%0.89880%0.804SS**  trans84.3140.1167.6-70.2175172.7174.8-3.1115.5
473S27.7Very low30Very low92 Ų92164.9 Ų164.964%0.64380%0.797SS**  cis-164.1150.7-10.1169.60000112.4
474K32.7Very low29.9Very low190 Ų190167.2 Ų167.283%0.82679%0.786SS**  trans14.6135.9149.7-52.7171.5-178.4178.20117.7
475R33.6Very low29.9Very low247 Ų247168 Ų16893%0.93278%0.784SS**  -154.5173.764.8-98.1-176.6173.4155.6-1.8114.4
476R32Very low29.8Very low234 Ų234164.1 Ų164.188%0.88378%0.775SS**  trans-94.8148.2179.2-97.8-174.8177.1177.7-1.7112.4
477V28.4Very low29.9Very low116 Ų116166 Ų16670%0.70377%0.771SS**  trans61.4108.8144.5179.70000118.9
478H27.2Very low30Very low190 Ų190167 Ų16788%0.8877%0.77SS**  -137.6121.4118.2-78.2-89.5000105.1
479S29.2Very low30Very low93 Ų93167.8 Ų167.865%0.6577%0.771SS**  65.3103.675.8-155.40000113.9
480S30.7Very low29.9Very low109 Ų109164.9 Ų164.976%0.76276%0.76SS**  trans40100.8145.659.60000118.6
481R30.7Very low30Very low245 Ų245165.3 Ų165.393%0.92576%0.756SS**  trans-139134.6132-150.7166.283.9179.25.6113.1
482E27.3Very low30.3Very low176 Ų176167 Ų16782%0.82276%0.757SS**  trans-41.3164.7170.5-168.2165.4-16000116.7
483K28.5Very low29.9Very low180 Ų180164.8 Ų164.878%0.78375%0.753SS**  trans-54.2162.4168.9-57.3175.8178-179.50111.1
484Q27.2Very low29.7Very low132 Ų132165 Ų16562%0.61776%0.755SS**  172.6141.2106.7-162.564.6-0.700110.7E486Q484-E486 PolarHBondContact NE2-OE2 2.84Å
485R31.3Very low29.4Very low219 Ų219165.8 Ų165.883%0.82676%0.758SS**  trans109.198175.5-64.5171.2-172.5-1082113.3
486E29.1Very low29Very low147 Ų147157 Ų15769%0.68774%0.739SS**  cis60.1157.67.4-161.2167.4-11400115.2Q484Q484-E486 PolarHBondContact NE2-OE2 2.84Å
487R30.9Very low28.8Very low200 Ų200151.9 Ų151.976%0.75574%0.736SS**  trans85.5133.1-162.4-62.8-166.1160.7-111.33.2114.5
488D28.1Very low28.6Very low111 Ų111151.8 Ų151.859%0.59473%0.73SS**  cis-154.1145.1-11.2-97.8-35.9000109.6
489K31.4Very low29.4Very low187 Ų187148.4 Ų148.481%0.81373%0.726SS**  trans157.6146.8142.5-90.5169.1177.2-1780110
490E30.1Very low30.3Very low127 Ų127148.8 Ų148.859%0.59373%0.729SS**  cis-179.3164.8-25-125.1-161.711700106
491K31.7Very low31.3Very low146 Ų146148.2 Ų148.264%0.63572%0.718SS**  trans68.2127.9150.6-74.9177.5165.783.80118.3
492I35.9Very low32.3Very low129 Ų129143.9 Ų143.966%0.66271%0.711SS**  78.9114.1110.2-66.2174.2000112
493K25.3Very low32.6Very low191 Ų191144.8 Ų144.883%0.8371%0.709SS**  74.3155.959.9-164.2176.4-174.51800111.6
494S22.7Very low33.9Very low97 Ų97141.6 Ų141.668%0.67871%0.706SS**  trans68.1114.8175.328.20000118.6
495K25.7Very low34.3Very low205 Ų205142.7 Ų142.789%0.89172%0.716SS**  trans-60.1169.4134-88.2-174.2175.4-179.30109.2
496A26Very low34.3Very low64 Ų64140.7 Ų140.753%0.52972%0.716SS.*  trans75.9154.7172.900000113.9I498A496-I498 HydrophobicContact CB-CB 3.85Å; A496-I498 WeakPolarHBondContact CB-O 3.42Å
497P27Very low34.3Very low125 Ų125141.6 Ų141.681%0.81272%0.721SS**  cis-73.8154.938.926.2-37.1000116.6C499P497-C499 HydrophobicContact CB-CB 4.28Å
498I24.7Very low34.2Very low114 Ų114138.5 Ų138.559%0.58572%0.719SS**  cis20.991.3-20.8-56.7-178.8000115.7A496 S500 D501A496-I498 HydrophobicContact CB-CB 3.85Å; A496-I498 WeakPolarHBondContact CB-O 3.42Å; I498-S500 VanDerWaalsContact C-N 3.3Å; I498-D501 WeakPolarHBondContact CG2-O 3.3Å
499C44.8Very low34.4Very low119 Ų119139.9 Ų139.980%0.80473%0.725SS**SBendcis45.657.438.7-171.60000110.3P497P497-C499 HydrophobicContact CB-CB 4.28Å
500S48Very low34Very low102 Ų102138.1 Ų138.171%0.71372%0.723SS**SBendtrans20.3119.8176.1-71.70000119.3I498I498-S500 VanDerWaalsContact C-N 3.3Å
501D50.9Low34.5Very low97 Ų97136.6 Ų136.652%0.51972%0.724SS.*  cis-151.1-163.66.5-123.6-107.3000109.6I498I498-D501 WeakPolarHBondContact CG2-O 3.3Å
502I51.1Low34.2Very low154 Ų154135.1 Ų135.179%0.7973%0.728SS**  cis-162.7-176.734-156.2158.5000112.9
503Y35Very low33.7Very low195 Ų195139.3 Ų139.377%0.76574%0.736SS**  trans-67.3170.5179.9-78.4-115.2000115.6
504P55.3Low33.6Very low113 Ų113137 Ų13773%0.73473%0.731SS**  cis-133.3-162.53.744.3-26.8000115.6
505D35.3Very low33.6Very low155 Ų155143.4 Ų143.483%0.82974%0.741SS**  trans-139.1140.3169.4-59.5-80.5000111
506E31.7Very low33.5Very low176 Ų176136.4 Ų136.482%0.82273%0.726SS**  trans-153.5143.5167.5-87.6-84.969.300113.5
507E27.7Very low33.6Very low167 Ų167142.5 Ų142.578%0.7874%0.744SS**  trans58.1124.5150.6-59.1-166.6137.100128.6
508D29.1Very low33.5Very low135 Ų135144.1 Ų144.172%0.72274%0.744SS**  trans62.9123.6130.7-85.817.9000131
509L32.5Very low33.5Very low139 Ų139143.8 Ų143.873%0.72875%0.752SS**  48.7139.1124.3-59.2179.6000127.2
510I24.4Very low32.6Very low150 Ų150143.2 Ų143.277%0.76976%0.756SS**  trans-35.4174.8147.425.4166.2000117.8
511P40.2Very low31.5Very low95 Ų95145.7 Ų145.762%0.61776%0.761SS**  cis-144.8173.3-0.136.7-14.9000118.9
512T25.4Very low30.5Very low116 Ų116145.4 Ų145.471%0.71277%0.772SS**  trans41.4144.4141.861.70000125.9
513R25.2Very low29.5Very low217 Ų217142 Ų14282%0.81977%0.767SS**  trans93.6137.4131.5-90.4169-171.4-161.66.2121.7
514L23.7Very low29.3Very low141 Ų141138.7 Ų138.774%0.73876%0.762SS**  trans75133.8140-76.1165.8000121.3
515R22.7Very low28Very low233 Ų233140.9 Ų140.988%0.87976%0.763SS**  trans71148.9152.7-159.1-179.4-60.3-100.75.5115
516G23.1Very low27.8Very low57 Ų57139.4 Ų139.459%0.58876%0.759SS**  cis134.992.7-11.700000114
517E27.7Very low27.6Very low193 Ų193139.1 Ų139.190%0.90276%0.758SS**  trans61.8169.8167.4-64.2-179.7118.900118.1
518I25.3Very low27.8Very low159 Ų159137.8 Ų137.882%0.81575%0.752SS**  trans80.3105.4-173-51.8164.8000111.1
519S25.1Very low28.1Very low107 Ų107137 Ų13775%0.74875%0.754SS**  cis80.2136.131.5-46.30000114.9
520A26.2Very low27.8Very low107 Ų107133.2 Ų133.288%0.88475%0.749SS**  trans69.2152.4174.900000117
521D24.9Very low27.9Very low154 Ų154132.9 Ų132.982%0.82475%0.748SS**  cis-170159.9-26.8-16815.3000109.4
522A29.9Very low27.5Very low90 Ų90133.9 Ų133.974%0.74475%0.752SS**  trans58.8159.5169.200000117.6
523A29.8Very low27.6Very low84 Ų84135.3 Ų135.369%0.69475%0.751SS**  cis-135-175.9-6.100000107.8
524D29.1Very low27.7Very low124 Ų124128.1 Ų128.166%0.66374%0.744SS**  cis-165.614826.6-145.1-12.2000112.3
525Q28.3Very low28.1Very low159 Ų159128.9 Ų128.974%0.74374%0.742SS**  trans44.6139.8156-75.6162.678.100122.7
526V31.7Very low28.4Very low125 Ų125123 Ų12376%0.75874%0.736SS**  cis-178.2164.1-8.176.50000107.6
527E28.6Very low29Very low170 Ų170128 Ų12879%0.79475%0.749SS**  cis-103.7-157.9-9.6-70.6-17984.500109.6
528E31.4Very low29.1Very low139 Ų139129.2 Ų129.265%0.6575%0.747SS**  cis6615815.2-80.5-71.493.800118.4
529P35.1Very low29.5Very low118 Ų118130.2 Ų130.277%0.76675%0.745SS**  cis-104.9165.7-15.740.2-30.4000112.8
530G26.5Very low30.1Very low60 Ų60132.6 Ų132.662%0.61974%0.742SS**  cis166.2-175.52.100000107.1
531N27Very low30.5Very low142 Ų142138 Ų13876%0.75974%0.739SS**  cis-167168-11.3-175.93.3000106.8
532V31.1Very low31.1Very low116 Ų116137.8 Ų137.870%0.70374%0.737SS**  trans69.6113.2171.3-169.30000114.5
533E27.7Very low31.3Very low146 Ų146139.3 Ų139.368%0.68273%0.733SS**  cis68.467.338.5-149.3-142.5141.100114.5K535E533-K535 WeakPolarHBondContact OE1-CE 3.21Å; E533-K535 IonicContact OE1-NZ 2.65Å; E533-K535 PolarHBondContact OE1-NZ 3.22Å
534G26.8Very low31.4Very low66 Ų66141.9 Ų141.968%0.6873%0.734SS**  118.1-152.56500000110
535K31.9Very low32.1Very low158 Ų158139.9 Ų139.969%0.68773%0.728SS**  trans6198169.8-61137.8177154.30117.8E533E533-K535 WeakPolarHBondContact OE1-CE 3.21Å; E533-K535 IonicContact OE1-NZ 2.65Å; E533-K535 PolarHBondContact OE1-NZ 3.22Å
536S28.6Very low32.3Very low109 Ų109141.4 Ų141.476%0.76273%0.733SS**  trans68.9153.7142.474.20000117.9
537L36.5Very low32.2Very low161 Ų161143.9 Ų143.984%0.84374%0.736SS**  cis-144.8161.432.5-84.3166.2000114.1K539L537-K539 PolarHBondContact O-N 3.28Å
538Y29.1Very low32.3Very low220 Ų220142.5 Ų142.586%0.86374%0.739SS**  trans-62.6121.3168.5-125.4-103.2000112.1
539K33.9Very low32.1Very low180 Ų180144.3 Ų144.378%0.78375%0.747SS**  trans-131.9108.4160.4-145.995.2175.6-165.40105.6L537L537-K539 PolarHBondContact O-N 3.28Å
540K38.6Very low32.4Very low156 Ų156143.9 Ų143.968%0.67875%0.745SS**  50.6111.570.8-62.7-172.7176.6-176.70110.2
541R34.3Very low32.4Very low221 Ų221147.7 Ų147.783%0.83475%0.75SS**  51101.283.4-71-168.9176.6-155.8-0.8111.1
542I37.3Very low32.6Very low149 Ų149148.6 Ų148.676%0.76475%0.747SS**  trans-136.585.4149.6-55.9-179.9000101.9
543D33.8Very low32.5Very low123 Ų123149 Ų14966%0.65875%0.745SS**  77.3109.781-68.1-36.8000111.4P545D543-P545 WeakPolarHBondContact O-CD 3.31Å
544N32.3Very low32.6Very low137 Ų137146.3 Ų146.373%0.73375%0.748SS**  trans-67114.8166.1173.729000108.4
545P44.1Very low32.6Very low82 Ų82151.3 Ų151.353%0.53275%0.754SS.*  trans-76.6138.8176.633.9-33.9000110D543D543-P545 WeakPolarHBondContact O-CD 3.31Å
546F32.3Very low32.5Very low192 Ų192149.7 Ų149.784%0.84275%0.752SS**  trans75.870.4170-37.8-58.4000117.4
547Q29Very low32.6Very low176 Ų176151.9 Ų151.982%0.82275%0.754SS**  -119.3109.1125.9-80.9-166.9-3.500110
548T30.3Very low32Very low141 Ų141148.2 Ų148.287%0.86575%0.747SS**  trans-171.2143138.4240000110.4
549H27.9Very low32.5Very low177 Ų177143.8 Ų143.882%0.81975%0.745SS**  trans-82.3-169.4168.6-26.9-101000110.3
550P40.7Very low32.1Very low110 Ų110140.7 Ų140.771%0.71474%0.741SS**  cis-136.4-151.5-16.227.2-1.1000111.6
551I27.3Very low31.6Very low140 Ų140140.1 Ų140.172%0.71875%0.745SS**  trans86.498.4149.4-70.3165.9000118.7
552K30.3Very low31.4Very low160 Ų160140 Ų14070%0.69675%0.745SS**  75.6141.3121.9-83.6-179.8132.9-71.80124.5
553D28.7Very low30.7Very low124 Ų124138.9 Ų138.966%0.66374%0.737SS**  trans82.8144.1139.5-60.3-13.5000122
554A30.3Very low30.4Very low90 Ų90140.2 Ų140.274%0.74474%0.739SS**  trans68.192.4157.500000120.1
555E27.9Very low30.3Very low172 Ų172145.8 Ų145.880%0.80475%0.75SS**  54.9132.9110.1-76.1-166.3-170.300123.3
556N28.5Very low29.5Very low123 Ų123151.1 Ų151.166%0.65876%0.759SS**  trans84.4134.1130.6-84-45000122.9
557I31.1Very low29.4Very low156 Ų156151.9 Ų151.980%0.876%0.756SS**  trans80.6125.3148.1-67.5161.8000118.2
558A24.9Very low29.4Very low84 Ų84152.8 Ų152.869%0.69476%0.76SS**  trans-84-173.1169.200000109.9
559P38.6Very low29.4Very low127 Ų127150 Ų15083%0.82575%0.751SS**  cis-145.3-158.54042.4-19.5000114.2
560T26.8Very low29.4Very low115 Ų115150.9 Ų150.971%0.70675%0.753SS**  trans-88.4161.9-176.570.40000114.7
561N26.7Very low28.7Very low143 Ų143154.3 Ų154.377%0.76576%0.759SS**  trans81.4147.3144.8-87.8-58.1000121.3
562R29.6Very low28.8Very low218 Ų218153.5 Ų153.582%0.82376%0.761SS**  trans66.8157.1160.5-76.3-167.1156.5132-0.4118.3
563E24.6Very low28.7Very low126 Ų126153.5 Ų153.559%0.58976%0.761SS**  cis-160.5168.4-36.7-144170.115000107.7
564H26.5Very low28.5Very low152 Ų152155.7 Ų155.770%0.70477%0.767SS**  trans47116163.2-61.4-33.4000120.6
565R29.5Very low28.3Very low254 Ų254154.7 Ų154.796%0.95877%0.766SS**  -146.7156.8107.4-116.6174-171.4168.84.5112
566R28Very low28.2Very low193 Ų193156.5 Ų156.573%0.72877%0.771SS**  trans-114147.8-176.4-79.7-175.8171.3-162.30.3110.7
567R30.9Very low28Very low208 Ų208157.3 Ų157.379%0.78578%0.78SS**  trans34.2135.5137.9-55175.3-176.8-175-2119.6
568E27.5Very low27.7Very low195 Ų195154.4 Ų154.491%0.91177%0.774SS**  -167.7150.2119.6-104.9166.2-155.400109.1
569A30.7Very low27.7Very low82 Ų82156.8 Ų156.868%0.67878%0.779SS**  cis-167.2176.1-28.500000110.3
570K29.1Very low27.3Very low197 Ų197156.2 Ų156.286%0.85778%0.779SS**  trans82.1113179.7-56178.4-179.8176.80114.8
571E25.2Very low27.2Very low181 Ų181153.7 Ų153.785%0.84678%0.776SS**  cis107.5159.914.6-165.6170.4-137.700113.9
572V29.9Very low27.4Very low123 Ų123158.1 Ų158.175%0.74578%0.781SS**  trans83.7124.5179.6-177.50000113.6
573K27.6Very low27.3Very low160 Ų160155.2 Ų155.270%0.69678%0.775SS**  cis-159.4160.7-2.2-120.8173.9-174.1177.40111.2
574Q25.5Very low27.4Very low170 Ų170156.3 Ų156.379%0.79478%0.78SS**  trans29.1146.8143.2-64.1159.7-17.200122
575G25.8Very low27.6Very low69 Ų69159.8 Ų159.871%0.71179%0.787SS**  cis138.4121.1-10.100000116.1
576K25.2Very low27.5Very low211 Ų211154.7 Ų154.792%0.91778%0.784SS**  trans72149.8173-56.4177.5-179.91790115.8
577T24.3Very low27.4Very low139 Ų139149.1 Ų149.185%0.85378%0.775SS**  cis-87.2-1411.346.10000111.7
578S25.2Very low27.3Very low96 Ų96147.6 Ų147.667%0.67178%0.776SS**  cis-154.91740.878.50000108.6
579V24.2Very low27.4Very low133 Ų133149.4 Ų149.481%0.80678%0.775SS**  cis77.2124.113.8-173.70000114.5
580S29.8Very low27.5Very low116 Ų116150.7 Ų150.781%0.81178%0.779SS**  cis-142.7161.1-2-171.80000108.3
581G25.1Very low27.7Very low62 Ų62150.7 Ų150.764%0.63978%0.779SS**  cis140.581.5-8.600000115.9
582R30.5Very low27.9Very low235 Ų235147.2 Ų147.289%0.88778%0.775SS**  trans-176.7123.8149.2-101.5176.7-175.5-133.4-0.3108.3
583K28.7Very low27.6Very low157 Ų157153.9 Ų153.968%0.68379%0.786SS**  76.9137.583.6-97.7-166.5169.8-135.80113.1
584E26.6Very low27.8Very low149 Ų149152.8 Ų152.870%0.69679%0.788SS**  cis-146.4174.43.6-164.4137.5-138.500112.8
585R30.2Very low28.3Very low225 Ų225149.5 Ų149.585%0.84978%0.782SS**  trans-86151.1-174-60.3164.9168.8153.8-8.8112.3
586T26.9Very low28.3Very low147 Ų147154.8 Ų154.890%0.90279%0.787SS**  trans-101.2144.8139.747.80000109.1
587S27.2Very low28.4Very low76 Ų76156.3 Ų156.353%0.53179%0.787SS.*  trans-158139.6-175.1-165.90000110.6
588H28.6Very low28.6Very low176 Ų176154.2 Ų154.282%0.81578%0.784SS**  trans69.8163.2179.5-40.6-60.6000112.8
589R28.9Very low28.7Very low233 Ų233158.4 Ų158.488%0.87979%0.79SS**  cis-148.5143.224-172.8172.5179.5153.5-2.4115.3
590S32.5Very low29Very low110 Ų110160.4 Ų160.477%0.76980%0.796SS**  trans2.1150.6161.2-47.80000123.4
591K33Very low28.8Very low197 Ų197162.5 Ų162.586%0.85779%0.794SS**  trans-65.9175.5169.4-54.3176.3179-178.20113.8
592S29.3Very low29Very low108 Ų108164 Ų16476%0.75580%0.801SS**  trans67.1126.6157.5620000119.2
593W25.5Very low29Very low262 Ų262157 Ų15799%0.99279%0.794SS**  trans-125.4138.3148.3-8586.7000108.6
594D31.6Very low29Very low138 Ų138159.3 Ų159.374%0.73881%0.807SS**  trans-127.2118.2-178.7170.227.2000107.8H596D594-H596 PolarHBondContact O-N 3.12Å
595P34.9Very low29.2Very low100 Ų100155.5 Ų155.565%0.64981%0.808SS**  trans-88.7111.3-174.533.2-31.8000112.7
596H27.1Very low29.2Very low180 Ų180153 Ų15383%0.83381%0.805SS**  trans85.197.2162.7-45.6-75000119.1D594D594-H596 PolarHBondContact O-N 3.12Å
597R25.8Very low29.3Very low243 Ų243153 Ų15392%0.91780%0.8SS**  -154.2152.388.8-147.5171.2-166.2-108.12.9112.6
598A29.5Very low29.3Very low95 Ų95152.9 Ų152.979%0.78581%0.811SS**  trans-64.7143174.200000112.2
599K27.8Very low29.3Very low185 Ų185152 Ų15280%0.80481%0.811SS**  trans-109.8125.7162.9-90.4-176.5174.1175.60109.6
600L28.9Very low29.2Very low175 Ų175150 Ų15092%0.91681%0.809SS**  trans-81.1138.9157.7-76.4169000109.1
601M26.9Very low28.8Very low159 Ų159154.3 Ų154.378%0.78381%0.814SS**  trans-152.7143.2166.5-73.9-71-172.400106
602A29.7Very low29.4Very low94 Ų94150.2 Ų150.278%0.77781%0.808SS**  cis-164.5155.5-21.200000107.1
603A30.4Very low29.3Very low89 Ų89150 Ų15074%0.73681%0.807SS**  trans-151.2112.9168.300000111.2
604E28.9Very low29.5Very low205 Ų205142.6 Ų142.696%0.95880%0.795SS**  trans55.2169.8154.6-54.7-172.2130.500119.9
605G29.4Very low29.4Very low69 Ų69143.8 Ų143.871%0.71180%0.796SS**  trans139.7-4.2140.900000123.2
606E30.3Very low29Very low172 Ų172144.5 Ų144.580%0.80479%0.794SS**  trans58.3164.4168.8-51.5-164141.900121.6
607N28.2Very low29.2Very low146 Ų146143.9 Ų143.978%0.78178%0.784SS**  trans66.3127151.5-58.1-42.6000122
608G27.5Very low29.4Very low74 Ų74141.3 Ų141.376%0.76378%0.776SS**  trans136.574.814500000121.6
609L28.8Very low29.2Very low158 Ų158143.3 Ų143.383%0.82777%0.773SS**  trans36.4124.4136.1-69160.4000123.7
610K27.1Very low29.4Very low192 Ų192139.3 Ų139.384%0.83577%0.768SS**  trans86.8141.6134.3-71.9-179.8174.3-177.40124
611F23.9Very low29.4Very low199 Ų199138 Ų13887%0.87376%0.762SS**  trans-66.2-177.4157.9-60.9-80000112.6
612P46.2Very low29.6Very low112 Ų112139.5 Ų139.573%0.72777%0.766SS**  cis-123.1-179.214.213.115.7000114.7
613S26.4Very low29.6Very low104 Ų104144.3 Ų144.373%0.72777%0.773SS**  cis92.9165.2301060000116.4
614S29.6Very low29.7Very low106 Ų106144.9 Ų144.974%0.74178%0.777SS**  trans74158.2177.6710000118.4
615E30Very low29.7Very low163 Ų163141.9 Ų141.976%0.76277%0.768SS**  cis-169.4-177.4-44.3-141.7140.1135.300109.5
616D26.9Very low29.6Very low114 Ų114148.7 Ų148.761%0.6178%0.778SS**  trans63.9163.6157.8-76.30.6000120.9
617R30.5Very low29.6Very low167 Ų167146.3 Ų146.363%0.6378%0.775SS**  cis179.5147.5-45.4-128.2-175.2-65.71678.6107.1
618Y30.2Very low29.8Very low190 Ų190143.6 Ų143.675%0.74577%0.773SS**  trans61.6165.3163.8-64.2-53.7000116.8
619D26.1Very low29.9Very low136 Ų136148.4 Ų148.473%0.72778%0.776SS**  cis-143.6-177-9.3-132-34.7000112.3
620C31.2Very low29.9Very low102 Ų102147.7 Ų147.769%0.68977%0.768SS**  trans-96.6-179.2-175.6-59.70000115.7
621D28.9Very low30Very low147 Ų147145.1 Ų145.179%0.78676%0.762SS**  trans74.2131158.1-54-25.1000120.4
622H31.1Very low30.3Very low191 Ų191143.6 Ų143.688%0.88476%0.762SS**  -163.1134.4113.8-97.935.1000110.4
623E29.9Very low29.6Very low195 Ų195146 Ų14691%0.91176%0.764SS**  trans-84.1163.3170.4-60.3-179.1128.700112
624A31.5Very low30.1Very low101 Ų101146.6 Ų146.684%0.83577%0.766SS**  -179.9124.2127.600000111.9
625D28.8Very low30Very low142 Ų142147.7 Ų147.776%0.75976%0.763SS**  trans-84160.7173.9-82.7-49.5000113.9
626F27.5Very low30Very low212 Ų212149.6 Ų149.693%0.9377%0.769SS**  trans-146.6145.9148.3-102.2-76.9000111.3
627V32Very low30.1Very low122 Ų122153.2 Ų153.274%0.73978%0.779SS**  trans-144.1156.7-154.6-76.90000112.3
628A31.4Very low30Very low89 Ų89150.8 Ų150.874%0.73678%0.783SS**  cis-163.2-133.6-1700000108.4
629E29Very low29.8Very low175 Ų175149.4 Ų149.482%0.81879%0.788SS**  trans67.6146.3167.6-71-147.8119.500119.1
630H29.8Very low29.8Very low142 Ų142151.8 Ų151.866%0.65779%0.787SS**  cis-164.8164.5-23.1-150.8-65.6000109.5
631L28.4Very low29.6Very low138 Ų138153.4 Ų153.472%0.72378%0.784SS**  trans68.9120.1161.6-55.9172.8000120.1
632L30Very low29.6Very low167 Ų167154.2 Ų154.287%0.87479%0.788SS**  163.9137.6105.1-85.3-176.7000113.6
633Q32.5Very low29.3Very low164 Ų164147.8 Ų147.877%0.76677%0.774SS**  trans-89.2154.2151.5-78.3-84.8-6.600107.6
634P36.3Very low29.3Very low116 Ų116146.9 Ų146.975%0.75377%0.774SS**  cis-148.9167.541.441.8-21.7000119.4
635D27.7Very low29.2Very low129 Ų129150.7 Ų150.769%0.6978%0.775SS**  trans3.7118.9151.3-17723.3000120.3
636K29.5Very low29Very low202 Ų202153.8 Ų153.888%0.87878%0.777SS**  trans-168.4102.4138.1-104.4150.4-169.5166.80115.6
637K30.3Very low29Very low190 Ų190148.1 Ų148.183%0.82676%0.764SS**  trans8.4136.1144-120175.2-173.8174.50122.3
638V28.5Very low28.7Very low117 Ų117147 Ų14771%0.70976%0.761SS**  trans90.8105.4152.3-169.20000120.4
639N25.6Very low28.6Very low161 Ų161147.8 Ų147.886%0.86177%0.768SS**  trans-157.4136.7131.3-80.1-45.3000104.7
640R26.8Very low28.6Very low185 Ų185147.7 Ų147.770%0.69876%0.761SS**  cis92.195.125.7-164174.2-165.4-137.3-16.5115.1
641E26Very low28.5Very low136 Ų136149.4 Ų149.464%0.63677%0.774SS**  trans64.2149.8154.6-65.9157.1-152.500116.8
642L28.5Very low28.6Very low164 Ų164149 Ų14986%0.85977%0.769SS**  cis-163.6169.7-10.6-115.5168.9000109.6
643G24.9Very low28.5Very low57 Ų57144.7 Ų144.759%0.58876%0.764SS**  trans98.7123.4172.800000113.9
644L31.4Very low28.4Very low176 Ų176141.4 Ų141.492%0.92176%0.759SS**  59.1104.458.5-59.8169.8000110.5
645E27.4Very low28Very low181 Ų181142.3 Ų142.385%0.84676%0.763SS**  -165.8161.470.4-136.9178.2-167.100115.7
646Y25.3Very low28.1Very low206 Ų206143.7 Ų143.781%0.80877%0.769SS**  trans71.9140.5142-141.3-113.7000125.3
647S27Very low28.3Very low94 Ų94144.6 Ų144.666%0.65777%0.767SS**  trans70.6104.5159.3-102.20000121.7
648S27.4Very low28.5Very low97 Ų97143.7 Ų143.768%0.67877%0.77SS**  trans-88.3131.2141.554.70000109.4Y650S648-Y650 PolarHBondContact O-N 3.31Å
649A27.9Very low28.7Very low106 Ų106143.6 Ų143.688%0.87677%0.765SS**  trans-87.6101.6166.700000109
650Y28.8Very low28.9Very low173 Ų173143.4 Ų143.468%0.67876%0.764SS**  trans-74.5146.1170.8-109.2-95.2000110.9S648 H652S648-Y650 PolarHBondContact O-N 3.31Å; Y650-H652 HydrophobicContact CD1-CB 4.05Å; Y650-H652 AromaticContact CD1-CG 3.93Å
651L28.4Very low29.2Very low179 Ų179142.1 Ų142.194%0.93776%0.764SS**  trans-137.2135.7144-126.4162.5000108.2
652H31Very low29.4Very low130 Ų130141.9 Ų141.960%0.60277%0.771SS**  trans-133.1131-151.2-1556.3000109.7Y650Y650-H652 HydrophobicContact CD1-CB 4.05Å; Y650-H652 AromaticContact CD1-CG 3.93Å
653G26.6Very low29.5Very low75 Ų75144 Ų14477%0.77377%0.768SS**  trans-129.8118.8166.800000108.5
654S31.2Very low29.6Very low96 Ų96152.7 Ų152.767%0.67178%0.783SS**  trans-164.3136.1-177.7-179.20000109.4
655T29.1Very low29.4Very low134 Ų134151.7 Ų151.782%0.82277%0.773SS**  trans-142.289.3178.4-20.80000111.6
656L27.7Very low29.6Very low158 Ų158151.7 Ų151.783%0.82777%0.773SS**  -177.6148.8115.3-95162.3000110.4
657R34.2Very low29.6Very low221 Ų221149.4 Ų149.483%0.83477%0.77SS**  trans-132.8149.2172.6-75.9-175.1176.8147.51.4109.1
658I35Very low29.6Very low172 Ų172152.6 Ų152.688%0.88278%0.775SS**  trans-118.8120.6155.4-58.7179.6000105.5
659D33.1Very low29.3Very low114 Ų114153.3 Ų153.361%0.6178%0.779SS**  trans-74.8142.7169.5-105.6-78.2000108.8K661D659-K661 VanDerWaalsContact OD1-CE 3.27Å; D659-K661 WeakPolarHBondContact OD1-CE 3.04Å
660D30Very low29.1Very low157 Ų157153 Ų15384%0.8477%0.771SS**  trans-135.6145147.2-162.63000109.7
661K32.7Very low29Very low159 Ų159153 Ų15369%0.69177%0.774SS**  trans-133103.7-164.2-73.2176.3-179.5161.60111.7D659D659-K661 VanDerWaalsContact OD1-CE 3.27Å; D659-K661 WeakPolarHBondContact OD1-CE 3.04Å
662V31Very low28.9Very low130 Ų130151.8 Ų151.879%0.78876%0.764SS**  trans-119.9112.1156.6-177.50000110.1
663R29.1Very low28.6Very low209 Ų209151.5 Ų151.579%0.78977%0.771SS**PPolyproline II helixtrans-79122.4172.2179.8-171.5-61.8-174.40.8109.2
664R28.5Very low28.5Very low240 Ų240159.2 Ų159.291%0.90678%0.777SS**PPolyproline II helixtrans-102.9124152.4-75.3-71.2-177.1175.2-1.3107.4
665Q26.1Very low28.2Very low154 Ų154163.7 Ų163.772%0.7279%0.787SS**PPolyproline II helixtrans-97142.6179.1-173.5167.6-39.300109
666E31.6Very low28.3Very low181 Ų181168.7 Ų168.785%0.84679%0.791SS**PPolyproline II helixtrans-77140.5179.6173.1-179.1-146.200111.3
667E25.8Very low28.2Very low159 Ų159168.4 Ų168.474%0.74379%0.786SS**  trans-150.7106.6159.8-150.8153.5-125.600112.4
668Q26.1Very low28Very low161 Ų161161.3 Ų161.375%0.75278%0.781SS**  trans45108.1139.1-58.4173.142.600118.2
669S21.9Very low27.8Very low111 Ų111160.7 Ų160.778%0.77677%0.772SS**  64.6103.280.5174.20000115.2
670S24.3Very low27.6Very low101 Ų101162.7 Ų162.771%0.70678%0.783SS**  trans-176.9135.8134.8-86.80000113.5
671K26.6Very low27.6Very low172 Ų172158.5 Ų158.575%0.74878%0.777SS**  trans67.8152.7153.3-63.9163162.5-89.90117.2
672E24.3Very low27.4Very low153 Ų153159.2 Ų159.272%0.71578%0.782SS**  cis-141.5163.1-2.4-142.9126.8-12700111.2
673V25Very low27.4Very low124 Ų124160.9 Ų160.975%0.75278%0.779SS**  trans-101.2140.9-178.1163.80000110.5
674W26.2Very low27.4Very low237 Ų237159.2 Ų159.290%0.89878%0.781SS**  trans9.7124.5157.6-65.253.9000117.7
675E24.5Very low27.5Very low190 Ų190154.8 Ų154.889%0.88878%0.775SS**  -164.8163.1104-110.6178.8-179.200113.5
676R31.2Very low27.9Very low240 Ų240153 Ų15391%0.90677%0.774SS**  trans-125.396.5168.6176.5-163.9-72-112.9-0.2107.5G678R676-G678 PolarHBondContact O-N 3.31Å
677E24.2Very low28Very low152 Ų152152.3 Ų152.371%0.7177%0.771SS**  trans-72.1125.3178.4-168.9-175.3-139.700111.2K679E677-K679 WeakPolarHBondContact OE2-CE 3.49Å
678G30.3Very low28.3Very low72 Ų72151.6 Ų151.674%0.74277%0.768SS**  trans-106.9128.3166.600000109.9R676R676-G678 PolarHBondContact O-N 3.31Å
679K31.8Very low28.5Very low158 Ų158153.3 Ų153.369%0.68777%0.768SS**  trans-94.9128.1-169.4-70.6-177.8175.7178.30113.7E677E677-K679 WeakPolarHBondContact OE2-CE 3.49Å
680N28Very low29Very low156 Ų156155.9 Ų155.983%0.83477%0.766SS**  trans57.2136.3143.9-47.5-11.9000118.7
681G30.4Very low29Very low70 Ų70157.8 Ų157.872%0.72277%0.768SS**  cis143.3148.8-0.800000112.3
682H28.9Very low29.2Very low173 Ų173156.1 Ų156.180%0.80177%0.772SS**  trans72.3145.3168.5-107.742.3000118.7
683F31.2Very low30.5Very low166 Ų166154.1 Ų154.173%0.72877%0.772SS**  cis-174-176.6-22.5-138.6-124.8000112.8
684Q28.7Very low30.9Very low174 Ų174154.6 Ų154.681%0.81377%0.771SS**  trans70.2126.2169.6-59.6173.26.500117.2
685D31.3Very low31.2Very low147 Ų147150.4 Ų150.479%0.78676%0.761SS**  cis74.9131.7-4.6-162.488.5000118.6
686V33.3Very low31.4Very low117 Ų117144.6 Ų144.671%0.70975%0.752SS**  cis-167.5162.7-25.371.40000110.7
687Q34.1Very low31.4Very low165 Ų165141.2 Ų141.277%0.77174%0.744SS**  trans-160.1141.3164.5-115.3-174.471.900118.4
688Q31.7Very low31.5Very low145 Ų145140.4 Ų140.468%0.67874%0.742SS**  trans72.2106.4151.4-60.4-159.62700126.1
689Y31.6Very low31.4Very low196 Ų196144 Ų14477%0.76974%0.737SS**  84.9126.3122.3-82.2-53.3000127.7
690K30.9Very low31.1Very low165 Ų165142.3 Ų142.372%0.71774%0.736SS**  trans70.5112.5135.7-93.7177.6179.5177.40122.6
691N25.3Very low30.9Very low141 Ų141139.8 Ų139.875%0.75473%0.73SS**  176.3142.688.2-84.9-44000110.4
692V30.3Very low30.7Very low137 Ų137140.6 Ų140.683%0.8373%0.73SS**  trans-145.6120.1-161-178.60000114.8
693P50.9Low30.6Very low112 Ų112140.2 Ų140.273%0.72773%0.732SS**  trans-86.4159.3154.4-8.128.3000111.3
694D33.6Very low30.5Very low134 Ų134139.5 Ų139.572%0.71774%0.736SS**  cis72.6135.216.2-141.743.8000115.9
695Q33.6Very low31.9Very low149 Ų149136.5 Ų136.570%0.69673%0.732SS**  cis-144.3140.810.2-166.6171.9116.300114.9
696G28.3Very low32.2Very low68 Ų68134.7 Ų134.770%0.70173%0.728SS**  trans102.7148.1142.100000117.9
697K31.7Very low31.8Very low169 Ų169137.7 Ų137.774%0.73573%0.734SS**  cis-158.3161.2-5.6-95.5-174.3179.9172.80106.2
698M26.7Very low31.8Very low134 Ų134136.7 Ų136.766%0.6673%0.733SS**  cis-165.5153.18.3-127.6-178.1160.600109.2
699K27.6Very low32.5Very low149 Ų149134.6 Ų134.665%0.64873%0.732SS**  trans64.8153.1147.2-68.9-175.3154.2-69.70119.2
700D25.2Very low32.3Very low122 Ų122132 Ų13265%0.65273%0.732SS**  cis-150.2175.5-8.2-114.9-15.7000112.4
701S24.8Very low33Very low102 Ų102131.5 Ų131.571%0.71374%0.736SS**  trans-57.1141.3-172.756.30000119.3
702A24.8Very low33.6Very low87 Ų87130.6 Ų130.672%0.71974%0.738SS**  54.1146.2127.100000122.5
703I27.2Very low33.7Very low165 Ų165134.5 Ų134.585%0.84674%0.738SS**  -176.2148.4119.1-93.2157.4000109.2
704N29.9Very low32.9Very low152 Ų152134.2 Ų134.281%0.81374%0.736SS**  trans-115.1168.4174.6-116.2-18.4000109.7
705P56.8Low33.1Very low111 Ų111136.9 Ų136.972%0.72174%0.741SS**  trans-83.5178.5-133.336.5-41.5000115
706P37.2Very low33.2Very low108 Ų108135.7 Ų135.770%0.70175%0.747SS**  trans-132.9138.3147.837-23.7000115.7
707H26.2Very low33.2Very low181 Ų181137.4 Ų137.484%0.83875%0.748SS**  trans77.4108.2130.7-76.461000122.1
708N34.3Very low33.2Very low143 Ų143136.6 Ų136.677%0.76575%0.751SS**  -53.4154.9126.7-118.3-27000109.9
709P45.8Very low33.5Very low101 Ų101139.8 Ų139.866%0.65676%0.764SS**  cis-137.816149.341.2-25.5000115.7
710D27.6Very low33.8Very low141 Ų141142.9 Ų142.975%0.75477%0.772SS**  -171.8136.2102.5-98.1-20.8000113.8
711L45Very low34.1Very low156 Ų156146.7 Ų146.782%0.81778%0.782SS**  trans-136126.6165.1-85.2170000107
712P38.1Very low34.2Very low121 Ų121149.9 Ų149.979%0.78679%0.786SS**  -138.8155.2124.234.2-21.3000114.9
713W31.7Very low34.7Very low220 Ų220150.3 Ų150.383%0.83378%0.783SS**  trans-71.6169.8164.9-77.262.4000110.7
714P35.7Very low34.8Very low105 Ų105149.1 Ų149.168%0.68278%0.778SS**  cis-133.317513.841.7-25.5000116.3
715K38Very low35Very low190 Ų190152.3 Ų152.383%0.82678%0.779SS**  trans-67.1139.9160.3-61.9177.2-178.9176.60109.7
716P34.1Very low33.7Very low125 Ų125153.7 Ų153.781%0.81278%0.779SS**  -139.4-159.1107.239.4-26.9000112.8
717S28.7Very low33.5Very low104 Ų104153.6 Ų153.673%0.72778%0.781SS**  trans-136.9-174.4-161.556.80000113.9
718L32.7Very low34.2Very low152 Ų152151.2 Ų151.280%0.79678%0.779SS**  trans83.2111.7163-61.4166.5000120
719Q32.7Very low34.5Very low201 Ų201152.6 Ų152.694%0.93978%0.781SS**  trans-138.2151.5145.3-73.5-152.459.800110.3
720R32.7Very low34Very low214 Ų214156.4 Ų156.481%0.80879%0.79SS**  -166.289-84176177.4-179.7179.7-0.5111.9
721K31.8Very low34Very low202 Ų202160.3 Ų160.388%0.87879%0.794SS**  trans-138.896.2164.1-63.2-171.5179.5-179.10109
722H28.2Very low33.1Very low169 Ų169159.2 Ų159.278%0.78279%0.789SS**  84.9132.390.3-76.5-59.8000113.1
723S34.5Very low32.6Very low95 Ų95160.4 Ų160.466%0.66479%0.789SS**  cis-169.7175.4-9.3-160.60000111.6
724L29.6Very low32.7Very low141 Ų141156.8 Ų156.874%0.73879%0.785SS**  trans79.7115.4169.9-53.2173.2000115.8
725R32.6Very low32.7Very low219 Ų219157.1 Ų157.183%0.82679%0.787SS**  84.114169.5-79.5-167.9169.2-168.5-1.7112.4
726L30.5Very low32.2Very low139 Ų139156.7 Ų156.773%0.72879%0.785SS**  cis-164.2164.110-127174.4000113.5
727S33.9Very low32.1Very low107 Ų107155.6 Ų155.675%0.74878%0.778SS**  trans84.6146144.2-147.40000123.5
728T40.9Very low32.1Very low130 Ų130158 Ų15880%0.79878%0.775SS**  trans-89.5148.2165.938.10000113.1
729Q40.3Very low32.1Very low173 Ų173155.9 Ų155.981%0.80876%0.764SS**  trans175.1118.9142.1-176.3159.82100106
730Q34.6Very low32.5Very low181 Ų181154 Ų15485%0.84676%0.76SS**  54.568.357.6-157.3-173.9-3.200115.4
731R27.8Very low32.8Very low222 Ų222147.9 Ų147.984%0.83875%0.75SS**  trans-156152.4132.8-121.1178.1-167.9174.35.2113.3
732D25.8Very low33Very low133 Ų133144.2 Ų144.271%0.71174%0.744SS**  trans-59.4151.1171.7-38.9-97.2000111.1
733N28.4Very low33.2Very low146 Ų146142 Ų14278%0.78174%0.743SS**  -168.4127.8106.8-100.7-71.2000111.7
734I33.3Very low33.1Very low145 Ų145144.1 Ų144.174%0.74475%0.745SS**  trans-64.2119.9149.2-67.4163.1000105.6K736I734-K736 HydrophobicContact CG2-CB 4.19Å
735P34.4Very low33.1Very low111 Ų111145 Ų14572%0.72175%0.746SS**  -97.2153.596.7-24.538.6000113.1
736K28.9Very low32.9Very low182 Ų182140.6 Ų140.679%0.79174%0.739SS**  cis67.214832.9-119.8-163.3178.1-177.40111.7I734I734-K736 HydrophobicContact CG2-CB 4.19Å
737P32.1Very low32.9Very low101 Ų101141.5 Ų141.566%0.65674%0.739SS**  -135.9-160.9-89.745.3-30.4000112.4
738K29.1Very low32.5Very low156 Ų156145.4 Ų145.468%0.67875%0.745SS**  31.6153.3129.7-141-177.5162.6-71.10120.4
739D32.3Very low31.9Very low106 Ų106147.9 Ų147.957%0.56775%0.748SS**  trans73.8154.5161.9-57.1-42.4000114.3
740L40.1Very low31.3Very low162 Ų162145.2 Ų145.285%0.84874%0.743SS**  cis-133.5156.327.1-69.2154.2000112.8
741S40.3Very low30.7Very low85 Ų85147.4 Ų147.459%0.59474%0.744SS**  cis-175.4-166.4-17.257.10000110
742V35.6Very low30.5Very low125 Ų125142.1 Ų142.176%0.75874%0.741SS**  trans84104.5171.9-172.80000114.3
743T32Very low30.4Very low124 Ų124139.5 Ų139.576%0.76175%0.745SS**  cis-158.5-159.7-19.3-20000106.7
744I33Very low30.4Very low139 Ų139138 Ų13871%0.71375%0.746SS**  cis-150.4-17110.1-149.4153.1000111.8
745E29.5Very low30.2Very low160 Ų160140.9 Ų140.975%0.74875%0.748SS**  trans-50.1170.8170.3-72.4149.8-152.900118.5
746D29.1Very low29.9Very low126 Ų126140.1 Ų140.167%0.67474%0.741SS**  cis-174.2-179.7-32.3-156.60.1000110.5
747Q29.4Very low29.9Very low157 Ų157138.3 Ų138.373%0.73474%0.738SS**  trans53.697149.3-78.1164.674.500120.8
748Q26Very low29.6Very low189 Ų189139.8 Ų139.888%0.88374%0.741SS**  27.3157.2109.4-156.8165.83.100121.9
749E28.4Very low29.6Very low182 Ų182141.5 Ų141.585%0.8575%0.748SS**  trans86135.2163.7-156159.7-137.100116.7
750V26.3Very low29.5Very low118 Ų118139.8 Ų139.872%0.71575%0.749SS**  cis-169.6132.1-19.6129.50000108.3
751R23.3Very low28.8Very low227 Ų227139.3 Ų139.386%0.85775%0.747SS**  trans43.3110.9138.1-156.2-166.2-163172.44.8121.3
752S22.5Very low28.2Very low111 Ų111138.5 Ų138.578%0.77674%0.742SS**  146.5126.2123.6-64.80000115.8
753G25.3Very low27.9Very low78 Ų78140.4 Ų140.480%0.80474%0.742SS**  trans74.8144.5177.700000113
754S27Very low27.6Very low113 Ų113137.7 Ų137.779%0.7974%0.738SS**  cis-169.7160.614.6-110.60000108.7
755R30.6Very low27.4Very low207 Ų207139.1 Ų139.178%0.78175%0.747SS**  cis-168.3150.2-4.2-136.4-173.9171.7-122.67.3111.1
756T27.5Very low27.4Very low95 Ų95138.4 Ų138.458%0.58375%0.747SS**  trans31.8137.8138.253.20000122.9
757I28.6Very low27.6Very low143 Ų143138.7 Ų138.773%0.73374%0.744SS**  cis-157.4175.9-7.7-15.4161.5000110.2
758N26.4Very low27.6Very low133 Ų133135.6 Ų135.671%0.71173%0.732SS**  trans82.7126.5159.6-58.5-24.1000116.8
759K28.5Very low27.9Very low192 Ų192133.5 Ų133.584%0.83573%0.727SS**  cis92128.114.8-160.9-144.6175.9-172.80115.6
760A29.2Very low28Very low70 Ų70131.3 Ų131.358%0.57973%0.731SS**  trans92.3140.2153.400000118.4
761N26.8Very low28.3Very low151 Ų151132.3 Ų132.381%0.80772%0.722SS**  trans72.5154.2150.9-68.423.7000117.1
762S28.3Very low28.6Very low69 Ų69128.2 Ų128.248%0.48372%0.716SS.*  cis-161.3171-3-122.20000112.9
763E28Very low28.9Very low165 Ų165134 Ų13477%0.77172%0.722SS**  trans57.2172.7158.4-82.987.7-92.200116.8
764G25.2Very low29.1Very low66 Ų66140.8 Ų140.868%0.6872%0.724SS**  cis127.1155.61900000107.1
765L29.6Very low29.2Very low170 Ų170139 Ų13989%0.8972%0.715SS**  cis48.576.930.2-84.8179000113.3
766I28.7Very low29.3Very low145 Ų145133.4 Ų133.474%0.74471%0.714SS**  trans176.9110.7142.4-90.9151000103.6
767E33.2Very low29.7Very low131 Ų131136.1 Ų136.161%0.61273%0.725SS**  79.3130.569.2-164.6177.6-168.800111.2R771E767-R771 IonicContact OE1-CZ 3.37Å; E767-R771 IonicContact OE1-NH1 3.55Å; E767-R771 PolarHBondContact OE1-NH1 3.37Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 2.69Å
768D30.4Very low29.9Very low93 Ų93132.3 Ų132.350%0.49772%0.721SS.*  trans64.8153.7-177.3-61.4-36.2000117.4R771D768-R771 WeakPolarHBondContact OD1-CG 3.47Å; D768-R771 IonicContact OD1-CZ 3.32Å; D768-R771 IonicContact OD1-NE 3.14Å; D768-R771 PolarHBondContact OD1-NE 2.86Å; D768-R771 IonicContact OD1-NH2 2.68Å; D768-R771 PolarHBondContact OD1-NH2 2.9Å; D768-R771 IonicContact OD2-CZ 3.31Å; D768-R771 VanDerWaalsContact OD2-CZ 3.32Å; D768-R771 IonicContact OD2-NE 2.67Å; D768-R771 PolarHBondContact OD2-NE 3.48Å; D768-R771 VanDerWaalsContact OD2-NE 3.14Å; D768-R771 IonicContact OD2-NH2 3.61Å; D768-R771 PolarHBondContact OD2-NH2 3.21Å
769D32.3Very low31Very low144 Ų144131.6 Ų131.677%0.7772%0.724SS**SBendcis-113.3122.17.1-94.1-48.3000114.2
770C31.4Very low31.4Very low137 Ų137130.7 Ų130.793%0.92672%0.722SS**  trans-16045.7135.3-98.60000109.7
771R30.9Very low31.9Very low139 Ų139136.6 Ų136.653%0.52574%0.738SS.*  trans-83.8152.3162.8-76.5-163.3-105-135.74.9109.4E767 D768E767-R771 IonicContact OE1-CZ 3.37Å; E767-R771 IonicContact OE1-NH1 3.55Å; E767-R771 PolarHBondContact OE1-NH1 3.37Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 2.69Å; D768-R771 WeakPolarHBondContact OD1-CG 3.47Å; D768-R771 IonicContact OD1-CZ 3.32Å; D768-R771 IonicContact OD1-NE 3.14Å; D768-R771 PolarHBondContact OD1-NE 2.86Å; D768-R771 IonicContact OD1-NH2 2.68Å; D768-R771 PolarHBondContact OD1-NH2 2.9Å; D768-R771 IonicContact OD2-CZ 3.31Å; D768-R771 VanDerWaalsContact OD2-CZ 3.32Å; D768-R771 IonicContact OD2-NE 2.67Å; D768-R771 PolarHBondContact OD2-NE 3.48Å; D768-R771 VanDerWaalsContact OD2-NE 3.14Å; D768-R771 IonicContact OD2-NH2 3.61Å; D768-R771 PolarHBondContact OD2-NH2 3.21Å
772L30Very low32.3Very low140 Ų140138.4 Ų138.473%0.73374%0.742SS**  trans64.8146.1177.4-78.968.5000114.2
773Y29.4Very low32.8Very low233 Ų233143.1 Ų143.191%0.91476%0.761SS**  cis-85.1126.416.4-73.7-94.6000115.5
774R28.7Very low33.1Very low220 Ų220140 Ų14083%0.8376%0.764SS**  trans-118.8157.7151.5-176.7-166.1-77.5-169-2.5106
775A30.5Very low33.3Very low75 Ų75142.7 Ų142.762%0.6277%0.771SS**  trans71.9145.5-175.300000113
776A31.2Very low33.2Very low91 Ų91139.7 Ų139.775%0.75276%0.764SS**SBendcis-76.1155.511.400000116.4
777D36.5Very low33.3Very low151 Ų151137.5 Ų137.581%0.80776%0.762SS**  cis-156162-19.5-95.5-31.9000109.1
778G33.4Very low33.1Very low64 Ų64138.9 Ų138.966%0.6677%0.773SS**  trans-97.8-148.1-177.700000114.4
779P49.5Very low32.8Very low118 Ų118139 Ų13977%0.76678%0.78SS**  cis-85.4-138.53.68.513000111.4
780E37.3Very low32.8Very low172 Ų172140.9 Ų140.980%0.80479%0.789SS**  cis-143.4127.75.5-66.5170.215500106.6
781E38.5Very low32.6Very low194 Ų194140.6 Ų140.691%0.90778%0.778SS**  75.6145.786.1-66.9-154.7178.200116.6
782E36.2Very low32.7Very low189 Ų189138.9 Ų138.988%0.88378%0.783SS**  trans-110.9167.4-147.4-60.4-177.9129.600116
783D38.2Very low33Very low168 Ų168141.8 Ų141.890%0.89879%0.793SS**  trans16.8109.6153.1-76.4-2.7000119.6
784A33.5Very low33.4Very low101 Ų101139.2 Ų139.284%0.83579%0.789SS**  trans-140132.8154.400000112.1
785C29.3Very low33.6Very low121 Ų121136.9 Ų136.982%0.81879%0.79SS**  trans-72.3160.2-175-61.90000115
786S28.4Very low33.9Very low107 Ų107139.9 Ų139.975%0.74879%0.794SS**  trans76.1118142.1-640000120.7
787S31Very low33.8Very low100 Ų100143 Ų14370%0.69980%0.798SS**  trans45.2130131.768.40000120.9
788L28.3Very low33.7Very low159 Ų159139.4 Ų139.483%0.83279%0.789SS**  -174.8166.598.5-96.2165.1000112.3
789C25.6Very low33.8Very low96 Ų96143.5 Ų143.565%0.64980%0.796SS**  trans19.4127.9157.1-58.10000120.7
790L31.3Very low33.1Very low184 Ų184145.3 Ų145.396%0.96380%0.799SS**  -122.3137.8105.6-76.3-178.8000108.9
791N27.7Very low33Very low131 Ų131142 Ų14270%0.70179%0.787SS**  trans-126.8142.1177.9-163.846.4000108.2
792T32.7Very low32.9Very low102 Ų102141.2 Ų141.263%0.62678%0.777SS**  trans27116.2157.2570000119.3
793E36.3Very low32.7Very low201 Ų201141.2 Ų141.294%0.93977%0.769SS**  trans-95.2152.1131.9-134.874.5-130.200107.9
794E36.9Very low32.5Very low179 Ų179139.3 Ų139.384%0.83676%0.764SS**  trans-123.6141.8-157.3174.4-177.7-127.900112.6
795M33.3Very low32.3Very low171 Ų171137.5 Ų137.584%0.84276%0.755SS**  trans-165.1110.3153.3-114.7-174.3163.900115
796I36.2Very low32.4Very low138 Ų138139.9 Ų139.971%0.70876%0.758SS**  trans68.488.8143.4-54.6170.5000119.5
797D30.8Very low32.6Very low158 Ų158138.2 Ų138.285%0.84575%0.75SS**  70.8153.4105-145.711.3000123.8
798A32.7Very low32.7Very low74 Ų74140 Ų14061%0.61275%0.752SS**  trans80.6110.2165.100000122.2
799D36.9Very low32.6Very low150 Ų150141.6 Ų141.680%0.80275%0.748SS**  trans65.9107.2140.4-57.8-5.8000123.5
800D34.9Very low32.8Very low156 Ų156143.7 Ų143.783%0.83475%0.748SS**  36.7145.1110.6-80.1-1000121.1
801D35.1Very low32.6Very low103 Ų103142.3 Ų142.355%0.55174%0.737SS**  cis-155.9179.918.7-165.1-5.3000111.6
802Y35.8Very low32.6Very low178 Ų178144 Ų14470%0.69875%0.745SS**  trans9263.7163.3-67.4-75.6000121.3
803R32.6Very low32.8Very low188 Ų188144.7 Ų144.771%0.70975%0.749SS**  65.8105.5106.1-169.8178.7-58.7-141.3-1.3120.6
804T33.1Very low32.2Very low129 Ų129145.4 Ų145.479%0.79174%0.744SS**  44.9132.8121.4-38.70000120.5
805G30.3Very low32.3Very low63 Ų63143.9 Ų143.965%0.64974%0.742SS**  cis142.2172.51.700000112.7
806I31.3Very low31.9Very low170 Ų170142.6 Ų142.687%0.87274%0.739SS**  trans73.9139.3170-55.2173.2000116.2
807A31.8Very low31.4Very low72 Ų72143.6 Ų143.660%0.59574%0.74SS**  cis-171.2167.2-27.500000112.3
808N32.2Very low31.7Very low138 Ų138143.9 Ų143.974%0.73874%0.736SS**  trans74.8125.2138.6-72.8-5.2000125.8
809Y27.6Very low31.6Very low193 Ų193145.5 Ų145.576%0.75774%0.743SS**  86.3126.2126.7-85.6-122.3000124.3
810H28.7Very low31.3Very low139 Ų139147.2 Ų147.264%0.64474%0.743SS**  trans38110.3141.3-76.6-94.8000122.9
811Q27.4Very low31.1Very low156 Ų156146.7 Ų146.773%0.72975%0.746SS**  41.7109.8102.8-174.2-165.715.600119.2
812L28.6Very low30.7Very low166 Ų166150.6 Ų150.687%0.86976%0.761SS**  -171.2169.4122.8-109.8160.6000113.2
813V35.9Very low30.4Very low117 Ų117150.8 Ų150.871%0.70977%0.768SS**  trans-103.8141.4-178.7172.30000110.2
814Y24.3Very low30.1Very low215 Ų215149.5 Ų149.584%0.84377%0.77SS**  trans-153.6136.7151.8-112.3-77.6000112.1
815N38.2Very low29.7Very low147 Ų147147.1 Ų147.179%0.78676%0.758SS**  trans-79.7152.8158.7-73.7-33.5000109.1
816N25.3Very low29.5Very low145 Ų145154.4 Ų154.478%0.77577%0.768SS**  trans-157.2166.9154.8-117.6-44.8000115.6
817H26.7Very low29.5Very low158 Ų158157 Ų15773%0.73177%0.768SS**  trans-68.7161.1-155.9-86.5-93.9000119.6
818E37.3Very low29.1Very low164 Ų164163 Ų16377%0.76678%0.781SS**  trans-36.1161.1157.1-53.4157.794.100116.8
819S29.8Very low28.8Very low108 Ų108160.6 Ų160.676%0.75578%0.78SS**  trans-152.8114.5139-89.20000114.6
820K31Very low28.8Very low186 Ų186156.7 Ų156.781%0.80978%0.781SS**  trans42.7124.6134.9-59.7168.5-177.1168.30119.3
821T29.8Very low28.6Very low145 Ų145161.6 Ų161.689%0.8979%0.794SS**  -165150.3100160000112
822H27Very low28.9Very low185 Ų185160 Ų16086%0.85680%0.797SS**  trans-97.7144.8174.7-73.5-95.4000111
823Q28.8Very low28.9Very low182 Ų182155.9 Ų155.985%0.8579%0.787SS**  -161.9136118.2-109.9175.910.200114
824H26.2Very low28.4Very low162 Ų162159.1 Ų159.175%0.7579%0.794SS**  trans6.9155.6134-76-87.5000121.5
825S25Very low28.7Very low78 Ų78153.6 Ų153.655%0.54579%0.787SS.*  cis172.5165.8-26.848.90000110.3
826Y26.3Very low28.2Very low217 Ų217152.6 Ų152.685%0.85179%0.79SS**  trans87.1152.6160.2-70.1-66.4000121.6
827Y30.7Very low28.3Very low223 Ų223150.8 Ų150.888%0.87579%0.788SS**  trans-95.9136.8-172.4-73.7-115.2000112.8
828K23.6Very low28.4Very low200 Ų200154 Ų15487%0.8779%0.794SS**  trans-178.8129.1136-98157.4-178.4178.40106.8
829A26.4Very low28.1Very low86 Ų86151.3 Ų151.371%0.71179%0.791SS**  cis75.199.649.400000114.1
830S27.6Very low27.8Very low111 Ų111153.9 Ų153.978%0.77679%0.791SS**  trans82.9122.1152.5-53.70000120.6
831R25.5Very low27.5Very low243 Ų243152 Ų15292%0.91778%0.784SS**  trans68.6175.5157.3-65.8-177.4175.8-175.3-0.7115.2
832P32.4Very low27.2Very low123 Ų123152.2 Ų152.280%0.79978%0.775SS**  cis-124.1-147.1-0.729.8-5.9000114.5
833A28.3Very low27Very low79 Ų79154.7 Ų154.765%0.65378%0.777SS**  trans-63.9-179-175.500000113.9
834E26.3Very low26.7Very low184 Ų184151.1 Ų151.186%0.8677%0.768SS**  -166.3164.772.2-82.1164.7-174.500111.6
835S31.3Very low26.5Very low99 Ų99154.5 Ų154.569%0.69277%0.774SS**  cis-174.783.3-49.748.50000110.7
836C26.5Very low27Very low127 Ų127156 Ų15686%0.85878%0.784SS**  trans-165.5146.6161-101.20000109.6
837S26.8Very low27.3Very low106 Ų106151.8 Ų151.874%0.74178%0.783SS**  cis-164150.6-24.6400000106.1
838R30.4Very low27Very low226 Ų226144.2 Ų144.285%0.85377%0.774SS**  trans-73.5158.1-177.2-69.7180167.9-179.5-4.9111.4
839P30.1Very low27.2Very low107 Ų107140.4 Ų140.470%0.69577%0.767SS**  -136.7167.795.238.8-29.1000115
840H24.2Very low27.4Very low163 Ų163145.4 Ų145.476%0.75577%0.773SS**  trans39.4127.8154.8-70.2-64.9000120.9
841H23.8Very low27.5Very low146 Ų146145 Ų14568%0.67677%0.769SS**  cis63.5117.69.6-120.83.2000116.5
842Q24.4Very low27.7Very low150 Ų150140.7 Ų140.770%0.70176%0.759SS**  trans79.4115.9162.5-49.2174.617.100119.6
843R22.5Very low27.5Very low237 Ų237142.8 Ų142.889%0.89476%0.759SS**  -145.4110.7115-139172.2-170.7165.84.7106.7
844T22.7Very low27.6Very low107 Ų107144.2 Ų144.266%0.65676%0.764SS**  54.3132.869.365.50000114.8
845R22Very low28.4Very low233 Ų233141 Ų14188%0.87976%0.759SS**  trans-24.9141.7-176.2-70.4169.8165.7164.1-6.6119.3
846S34.6Very low28.6Very low108 Ų108140.8 Ų140.876%0.75576%0.763SS**  25140.8122.2-34.30000119.3
847P33.5Very low29.1Very low129 Ų129146.1 Ų146.184%0.83877%0.765SS**  cis-112.5177.5464.419.7000113.2
848G24.9Very low29.4Very low65 Ų65145.4 Ų145.467%0.6777%0.766SS**  cis81.7133.745.500000110.1
849T27.9Very low29.5Very low119 Ų119140.8 Ų140.873%0.7376%0.762SS**  cis-170173.20.8-3.60000108
850F30.1Very low29.8Very low191 Ų191143.2 Ų143.284%0.83877%0.769SS**  trans68.1132.8179.9-50.2-84.3000114.2
851C29.2Very low30.4Very low102 Ų102142.7 Ų142.769%0.68977%0.77SS**  cis-152.2-175.5-9.2-119.60000107.4
852E30.2Very low30.9Very low153 Ų153145 Ų14572%0.71578%0.781SS**  cis-154.1174.39.2-134175-109.200105.7
853Q27.4Very low31Very low168 Ų168141.1 Ų141.179%0.78578%0.781SS**  cis-130.9-17410.3-67.4-157.7-36.100112.7
854S30.3Very low31.6Very low109 Ų109137.6 Ų137.676%0.76278%0.775SS**  trans-87.9178.8-179-37.30000112.8
855P43.2Very low32.3Very low115 Ų115140.9 Ų140.975%0.74778%0.78SS**  cis-137144.8-6.135-15.9000117.2
856A34.8Very low32.4Very low95 Ų95133.2 Ų133.279%0.78577%0.773SS**  trans48.4149.5138.700000122.5
857R37.9Very low32.1Very low240 Ų240134.6 Ų134.691%0.90678%0.782SS**  cis-164.3146.811-148.2176.7-176.8170.50.5113.3
858A33.7Very low31.5Very low91 Ų91131.9 Ų131.975%0.75278%0.777SS**  trans67.3148155.500000119.7
859V31.7Very low32.6Very low128 Ų128134.4 Ų134.478%0.77678%0.781SS**  cis-173.1159.3-5.21280000107.2
860L37.5Very low32.6Very low159 Ų159135.6 Ų135.683%0.83278%0.782SS**  cis-168.5-115.7-30.4-167.764.2000108.3
861I35.4Very low32.6Very low152 Ų152133.2 Ų133.278%0.77978%0.777SS**  trans80.8167.9162.8-56.2176.2000117.1
862Q34.7Very low32.4Very low194 Ų194135.8 Ų135.891%0.90778%0.784SS**  trans-148.6169-158.4-65.2170.8-71.700112.3
863G27Very low32.2Very low69 Ų69131.4 Ų131.471%0.71178%0.78SS**  cis159.2164.9-9.500000115.1
864E35.8Very low32.2Very low163 Ų163131.6 Ų131.676%0.76279%0.786SS**  trans55.8158.3158.5-58.6-147.9128.900120.8
865K35.6Very low31.9Very low176 Ų176131.4 Ų131.477%0.76578%0.784SS**  cis-164.6169.3-5.3-123.2171.2-174.11390110.1
866G24.9Very low31.1Very low71 Ų71131 Ų13173%0.73278%0.783SS**  trans155.1148.6156.600000117.7
867C27.6Very low30.7Very low138 Ų138135.1 Ų135.193%0.93278%0.784SS**  trans-143167.5177.8-71.10000111.6
868G22.4Very low30.2Very low72 Ų72129.6 Ų129.674%0.74278%0.777SS**  trans-80.3-145.1172.600000113.4
869P48.4Very low29.7Very low117 Ų117130.9 Ų130.976%0.7678%0.779SS**  cis-142.9-149.94.233-6000113.8
870I27.3Very low30Very low144 Ų144133.8 Ų133.874%0.73878%0.784SS**  trans92.5128.1150.9-72.8162.9000121.8
871L29.2Very low29.5Very low141 Ų141129.8 Ų129.874%0.73878%0.781SS**  trans23.2162.1146.6-56.5173.6000125.4
872D26.3Very low29.5Very low157 Ų157127.2 Ų127.284%0.8478%0.783SS**  trans68.1152.5160.1-57.2-29.5000117.7
873G25.8Very low29.2Very low61 Ų61125 Ų12563%0.62978%0.777SS**  cis149.2137.2-6.200000111.6
874N26Very low29.3Very low171 Ų171126.6 Ų126.691%0.91478%0.777SS**  trans63.2165.7-177.3-65.8-34.4000114.9
875C24.6Very low29.2Very low105 Ų105124 Ų12471%0.70978%0.777SS**  cis-170.6161-31.9177.30000107.6
876S25.8Very low29Very low106 Ų106121.8 Ų121.874%0.74177%0.772SS**  trans70.3158163.4-71.50000118.4
877K27.1Very low29.3Very low182 Ų182127 Ų12779%0.79178%0.775SS**  cis-177.5159.4-31.4-147.6-170.2173.9-172.50107.6
878V26.5Very low29.7Very low125 Ų125126.1 Ų126.176%0.75876%0.761SS**  trans69.6147.9158.7169.20000114.7
879C25.1Very low30.2Very low117 Ų117131.1 Ų131.179%0.79176%0.759SS**  cis-140.9170.61-147.20000111.8
880E36.8Very low29.4Very low189 Ų189130.8 Ų130.888%0.88376%0.758SS**  trans-80170.7155.2-71.9-175112.600111.8
881G27.5Very low29.7Very low76 Ų76131.9 Ų131.978%0.78476%0.76SS**  trans174.9106.3168.100000113.5
882A35Very low29.7Very low98 Ų98129.1 Ų129.181%0.8176%0.757SS**  trans-74.5173.1155.600000108.9
883D29.4Very low30.1Very low148 Ų148126.7 Ų126.779%0.79175%0.753SS**  cis-167.2177.727.8-163.25.1000111.6
884S28.1Very low30.4Very low102 Ų102130.8 Ų130.871%0.71376%0.755SS**  trans79.8160.4153.181.70000120.9
885S33Very low30.7Very low107 Ų107129.5 Ų129.575%0.74875%0.748SS**  trans98.2137.4153.8-162.50000119
886I31.2Very low30.9Very low130 Ų130133.3 Ų133.367%0.66776%0.755SS**  cis-165.7128.9-29.5-163.4164.5000109.4
887F32.1Very low31.1Very low180 Ų180132 Ų13279%0.78975%0.746SS**  trans58.1168153.8-74.4-141.5000117.4
888D36.7Very low31.2Very low120 Ų120130.2 Ų130.264%0.64275%0.745SS**  cis-150.9165.85.5-137.7-14.1000114.7
889Y31.4Very low31.4Very low178 Ų178129.6 Ų129.670%0.69875%0.746SS**  trans12.6142.2164.4-89.8-134.4000123.4
890C32.6Very low31.5Very low109 Ų109131.8 Ų131.874%0.73675%0.745SS**  cis88.4122.325.7-62.30000117.8
891Q33Very low31.1Very low168 Ų168128.3 Ų128.379%0.78574%0.736SS**  178.3124.1121.7-95.8174.313.900109.4
892A29.5Very low31.1Very low82 Ų82128.8 Ų128.868%0.67872%0.724SS**  85.2152.277.100000112
893S34.3Very low30.7Very low107 Ų107135 Ų13575%0.74873%0.727SS**  cis-133.8-173.520.8650000115.8
894E33.3Very low30.7Very low147 Ų147136.5 Ų136.569%0.68773%0.726SS**  trans-100.4-178.3-161.2-57.468.7-140.700113
895L32.7Very low30.7Very low143 Ų143136.8 Ų136.875%0.74973%0.728SS**  cis-133.8-115.28.5-164.471.5000112.8
896E28.8Very low30.6Very low185 Ų185135.9 Ų135.986%0.86473%0.727SS**  cis-150.2118.26.6-167.7164.9-95.300112.9
897S28.4Very low30.4Very low79 Ų79136.6 Ų136.655%0.55273%0.733SS**  trans19.5122.9156.6-79.70000127
898D29.2Very low30.4Very low145 Ų145136.4 Ų136.478%0.77573%0.734SS**  83145.7114.7-61.1-42.8000126.6
899S30.9Very low30.2Very low111 Ų111133.4 Ų133.478%0.77673%0.731SS**  trans85.5100.3154.667.70000122.2
900E28.2Very low30.2Very low164 Ų164132.9 Ų132.977%0.76674%0.74SS**  23.4126.8121.1-124-169.7148.500118.9
901T28.3Very low30.1Very low115 Ų115130.6 Ų130.671%0.70674%0.736SS**  -17412874.325.50000115.4
902V27Very low29.9Very low87 Ų87131 Ų13153%0.52774%0.737SS.*  57.6128.4123-179.90000122.1
903R26.7Very low29.8Very low229 Ų229132.5 Ų132.586%0.86474%0.743SS**  trans78.7142.4156.6-81.2163-149.2145.87.3117.9
904K29.6Very low29.5Very low178 Ų178131.4 Ų131.477%0.77474%0.741SS**  cis-167.9148.1-1.3-155-174.8-178.6-172.70111.9
905S28.8Very low29.1Very low108 Ų108132.1 Ų132.176%0.75574%0.744SS**  trans55.9156.5150.547.10000119.6
906A29.7Very low28.7Very low89 Ų89135.7 Ų135.774%0.73675%0.747SS**  cis-165.5136.3-11.300000105.2
907D27.7Very low28.5Very low145 Ų145130.6 Ų130.678%0.77574%0.737SS**  94.7122.865-159.146.5000111.4
908E33Very low28.4Very low176 Ų176133.4 Ų133.482%0.82275%0.75SS**  trans56.8154.5177.4-57-7088.600117.5
909G32.1Very low28.3Very low56 Ų56133.9 Ų133.958%0.57775%0.753SS**  cis-174.7179.4-4.800000114.1
910D30.8Very low28.2Very low167 Ų167135.5 Ų135.589%0.89376%0.758SS**  trans-18.9154.6158.7-148.437.5000118.1
911G30Very low28.3Very low62 Ų62133.4 Ų133.464%0.63975%0.748SS**  cis-175.8-153.714.700000116
912E28.4Very low28.2Very low175 Ų175135.5 Ų135.582%0.81875%0.75SS**  trans-73.3163.2-158.8-55.7-173.710600118.7
913S28.5Very low28.4Very low115 Ų115133.6 Ų133.680%0.80474%0.738SS**  trans92.8156.4136.581.40000119.7
914A27.9Very low28.5Very low84 Ų84129.6 Ų129.669%0.69473%0.729SS**  trans-142160.6179.900000108.8
915H24.1Very low28.5Very low162 Ų162128.3 Ų128.375%0.7573%0.726SS**  trans-168.3149.3150.1-104.4-160.5000113.6
916W24.6Very low28.4Very low217 Ų217128.7 Ų128.782%0.82272%0.72SS**  trans-8.8156.6160.4-43.292.7000120.5
917A25Very low28.3Very low78 Ų78129.3 Ų129.365%0.64572%0.719SS**  cis-175159.2-13.800000112
918V26.6Very low28.4Very low138 Ų138130.4 Ų130.484%0.83672%0.717SS**  trans36119.5145.7-178.30000119.6
919D27.5Very low28.4Very low155 Ų155128.5 Ų128.583%0.82971%0.712SS**  trans-66.4167169.9-50.4-75.4000114.9
920V27.4Very low28.4Very low145 Ų145133.1 Ų133.188%0.87972%0.719SS**  trans-130.8141.2160.4-179.90000109
921Q31.2Very low28.2Very low120 Ų120130.7 Ų130.756%0.56171%0.706SS**  trans-105.5151.8-174.1171.4171.319.900111.6E378E378-Q921 PolarHBondContact OE1-NE2 3.5Å
922E25.7Very low27.9Very low160 Ų160132.5 Ų132.575%0.74871%0.709SS**  trans-108159.5162-131166.7-166.700107.3
923V31.5Very low28Very low47 Ų47131.2 Ų131.229%0.28571%0.712SS.*  -164174.371.2159.90000111E378 L381E378-V923 HydrophobicContact CB-CB 3.79Å; E378-V923 HydrophobicContact CB-CG1 3.79Å; E378-V923 HydrophobicContact CB-CG2 4.14Å; E378-V923 HydrophobicContact CG-CG2 4.39Å; E378-V923 WeakPolarHBondContact O-CB 3.39Å; E378-V923 WeakPolarHBondContact OE2-CG2 3.35Å; L381-V923 WeakPolarHBondContact CD1-O 3.45Å
924Q28.6Very low28.8Very low144 Ų144131 Ų13167%0.67371%0.709SS**  trans-69.8121.4178.6-173.4175.20.200113.4E379E379-Q924 WeakPolarHBondContact CA-O 3.21Å
925Q28.9Very low29Very low152 Ų152135.6 Ų135.671%0.7172%0.716SS**  64.5126.187.8-176.9-169.9-1.200116.1E379E379-Q925 PolarHBondContact O-N 3.44Å
926D26.5Very low29.1Very low116 Ų116132.6 Ų132.662%0.6271%0.709SS**  trans-130.7155.7178-17629.1000113.8F928D926-F928 WeakPolarHBondContact OD1-CE2 3.27Å
927S28.2Very low29.3Very low102 Ų102129.5 Ų129.571%0.71370%0.703SS**  trans-171.6141.8175.261.80000114.9
928F30.6Very low29.5Very low168 Ų168135 Ų13574%0.73771%0.713SS**  trans-131.1167.7179.5-75.2-102.7000110.9D926D926-F928 WeakPolarHBondContact OD1-CE2 3.27Å
929D31.5Very low29.5Very low135 Ų135132.2 Ų132.272%0.72270%0.704SS**  cis-155.7175.56.1-145.1-29.6000112.1
930E32.2Very low29.6Very low153 Ų153132.7 Ų132.772%0.71571%0.705SS**  trans64.9154.3158.8-74-157.9103.100119.5
931N26.6Very low29.7Very low116 Ų116134.2 Ų134.262%0.6270%0.703SS**  cis-156.2162.624.3-147.4-61.3000114.8
932S24.6Very low29.5Very low101 Ų101133.7 Ų133.771%0.70671%0.712SS**  trans69.4121.4159.674.10000121.2
933V29.8Very low29.3Very low147 Ų147130.1 Ų130.189%0.89171%0.71SS**  trans-149.9125176.4-177.60000113
934P46.3Very low30Very low112 Ų112133.3 Ų133.373%0.72773%0.731SS**  trans-139.1132.5176.937.4-19.8000118.6
935Q31.7Very low29.9Very low180 Ų180133 Ų13384%0.84174%0.74SS**  trans62146149.5-71.5-173-21.800120.6
936T26Very low29.8Very low99 Ų99129.3 Ų129.361%0.60774%0.742SS**  cis-155143.46.10.20000114.2
937H28.1Very low29.9Very low152 Ų152128.3 Ų128.370%0.70475%0.75SS**  trans49.6118.4146-61-24.8000123.5
938K29.3Very low29.9Very low193 Ų193134.6 Ų134.684%0.83976%0.758SS**  76.1148.592.9-70.5-179.8175-179.40116.9
939A28Very low29.7Very low80 Ų80137 Ų13766%0.66176%0.762SS**  cis-178.9150.1-23.800000111.9
940I29.4Very low29.6Very low164 Ų164134.3 Ų134.384%0.84176%0.759SS**  trans71147.2155.5-69.9167.3000117.5
941Q29.7Very low29.4Very low178 Ų178135.4 Ų135.483%0.83276%0.764SS**  cis-127.7-125.6-1.7-150.2-171.275.200112.3
942S25.4Very low29.5Very low108 Ų108138 Ų13876%0.75577%0.773SS**  cis-157.9172.32.764.20000113.4
943A22.7Very low29.8Very low85 Ų85141.5 Ų141.570%0.70278%0.78SS**  trans-159.7-175.1170.300000110.7
944P46Very low30Very low114 Ų114141.7 Ų141.774%0.7478%0.781SS**  cis-140.1-176.8-15.745.1-27.9000116.3
945T25.9Very low29.6Very low138 Ų138143.7 Ų143.785%0.84778%0.781SS**  trans68.5130.7148.4-45.60000124.2
946G27.3Very low30Very low74 Ų74140.1 Ų140.176%0.76377%0.767SS**  trans-163.8152.5157.900000111.1
947A29Very low30.6Very low95 Ų95142.9 Ų142.979%0.78577%0.773SS**  trans-156.6168.7-163.400000119
948R27.6Very low31Very low235 Ų235140.9 Ų140.989%0.88778%0.776SS**  trans92.6146171.9-56.2176.8172.6178.8-2.4115.2
949R27.2Very low31.4Very low217 Ų217139.1 Ų139.182%0.81978%0.775SS**  cis-160.3159.811.9-147.6-179.7-170.4160.90.4113.3
950A28.6Very low31.9Very low80 Ų80141.4 Ų141.466%0.66178%0.78SS**  trans68.7142156.300000119
951E28.3Very low32.3Very low175 Ų175136.8 Ų136.882%0.81877%0.774SS**  cis-159.5165.7-18.9-132.1142.4-13300111.1
952E28.9Very low32.6Very low171 Ų171136 Ų13680%0.79978%0.775SS**  trans27.4107.3173.1-62.5-168.613800120.4
953M30.2Very low33.4Very low175 Ų175135.9 Ų135.986%0.86277%0.774SS**  83.810070.7-79.2-176.364.100116.5
954V34.4Very low33.9Very low150 Ų150134.7 Ų134.791%0.90977%0.771SS**  -166.4141.8124.61380000111.4
955E36.8Very low33.4Very low155 Ų155137.6 Ų137.672%0.72478%0.778SS**  trans-66.5164.1176.8-81.6173-136.400114.4
956N40.2Very low33.5Very low105 Ų105138.3 Ų138.356%0.56178%0.776SS**  cis-156.7147.49.8-113.3-34.3000112.1
957Q40.1Very low33.8Very low156 Ų156139.4 Ų139.473%0.72977%0.772SS**  trans46.3120.3143.4-61.8166.357.600120.4
958S35.6Very low34.6Very low110 Ų110140.7 Ų140.777%0.76977%0.773SS**  82.8138.751.6-64.70000114.7
959I38.2Very low34.9Very low157 Ų157140.5 Ų140.581%0.80577%0.772SS**  cis-161.3164-14.1-171.4157.3000110.5
960T38.4Very low35.3Very low127 Ų127135.3 Ų135.378%0.77977%0.765SS**  trans-56.2165.1171.650.20000114.3
961G38Very low35.7Very low68 Ų68141.5 Ų141.570%0.70177%0.771SS**  cis130.1168.65.200000112
962D35.7Very low35.6Very low161 Ų161139.4 Ų139.486%0.86177%0.77SS**  trans63.4152.4158.6-132.418.8000118.6
963S41.8Very low35.7Very low105 Ų105136.1 Ų136.173%0.73477%0.766SS**  cis-149.7176.7-5.6-146.30000111.8
964G33.7Very low35.6Very low61 Ų61135.9 Ų135.963%0.62977%0.767SS**  trans-87.2-165.3-161.900000122.1
965I34.7Very low35.3Very low175 Ų175133.8 Ų133.890%0.89777%0.765SS**  trans57.8145.5169.667.4172.6000117.3
966D28.1Very low34.9Very low152 Ų152132 Ų13281%0.81377%0.77SS**  cis-155.4-177.325.7-166.95.2000111.5
967S34.7Very low34.7Very low97 Ų97131.4 Ų131.468%0.67877%0.774SS**  trans-105162.7-178.7-61.10000114.4
968P45.1Very low34.6Very low123 Ų123130.8 Ų130.880%0.79978%0.776SS**  -155.8125.3103.736-15.5000119.1
969R34.4Very low34.6Very low230 Ų230132.1 Ų132.187%0.86878%0.78SS**  56.6136.3117-127.2-179.1-161.91192.1123.5
970T34.7Very low34.3Very low108 Ų108130.7 Ų130.766%0.66378%0.778SS**  trans75.8147167.180.10000114.5
971R36.8Very low34.2Very low210 Ų210132.1 Ų132.179%0.79278%0.779SS**  cis-163.3172.619.2-134.7172.1-152.799.8-10.1107.3
972V27.5Very low34.1Very low131 Ų131137.4 Ų137.479%0.79479%0.791SS**  cis-148.3178.46.6-151.50000109.2
973S29.9Very low34.2Very low102 Ų102139 Ų13971%0.71379%0.793SS**  trans-83.2173163.7-49.80000112.1
974L28.9Very low34Very low171 Ų171137.4 Ų137.490%0.89579%0.793SS**  cis-155.216129-79.9167.6000112
975A27.5Very low34Very low105 Ų105143.4 Ų143.487%0.86881%0.81SS**  trans-136.9147.315200000110.1
976S29Very low34.2Very low117 Ų117144.7 Ų144.782%0.81881%0.809SS**  trans-131.4153.3-165.4-1680000114.4
977S36.9Very low34.8Very low93 Ų93149.4 Ų149.465%0.6582%0.815SS**  trans-56.7148.6-176.6-43.10000115
978N36.4Very low34.9Very low144 Ų144156.8 Ų156.877%0.7783%0.828SS**  178.3152.392.6-92-57.7000114.6
979T35.8Very low34.2Very low138 Ų138154.1 Ų154.185%0.84782%0.823SS**  trans-87.8123.9163.343.80000110.7
980V32.5Very low33.9Very low126 Ų126152.9 Ų152.976%0.76482%0.824SS**  trans-139.5164.3168.1-174.80000107.8
981I35.7Very low33.7Very low157 Ų157155.1 Ų155.181%0.80583%0.831SS**  trans76.974-179.7-41.7176.6000114
982L35.5Very low33.4Very low180 Ų180153.2 Ų153.294%0.94283%0.832SS**  trans-138.842.4145.7-134.5179.6000111.9
983E39.1Very low33.5Very low194 Ų194154.2 Ų154.291%0.90783%0.832SS**  trans-136.5108.5172.3-169.8171.3-139.100109.3
984G36.9Very low33.5Very low72 Ų72157.7 Ų157.774%0.74284%0.842SS**  trans-179.6-32.1-17700000117.5K986G984-K986 PolarHBondContact O-N 3.47Å
985L34.9Very low33.5Very low187 Ų187158.6 Ų158.698%0.97984%0.842SS**  trans-100.868.9-171.7-74.4171.3000114.2
986K38.8Very low33.8Very low202 Ų202162.6 Ų162.688%0.87884%0.84SS**  trans-15151167.2-152.9171.8-175.2172.60115.6G984G984-K986 PolarHBondContact O-N 3.47Å
987R39.5Very low33.8Very low251 Ų251164.4 Ų164.495%0.94784%0.839SS**  trans-136154.5165.4-69.4-165.5178.8-158.3-0.2112.9
988R36.9Very low33.5Very low252 Ų252168.3 Ų168.395%0.95185%0.847SS**  trans-66.3159.6-178.2-52.3168.8-171.3169.80.6110.6
989G30.2Very low33.1Very low67 Ų67166.4 Ų166.469%0.69184%0.844SS**  cis134.1109.33.700000111.6
990F27.8Very low32.9Very low203 Ų203169.8 Ų169.889%0.8985%0.847SS**  trans-157147.2179.2-97.4-94.6000105.5
991L31.4Very low32.7Very low155 Ų155168.8 Ų168.881%0.81285%0.846SS**  cis-130156.613-96.6162.7000111.9
992Q31.3Very low32.3Very low171 Ų171166.5 Ų166.580%0.79984%0.844SS**  trans-91.8165.1157.1-75.2178.7-38.100110.8
993N27.5Very low32Very low151 Ų151162.5 Ų162.581%0.80784%0.837SS**  trans87.299173.9-55.1-84.2000116.5
994L31.3Very low31.5Very low175 Ų175161.7 Ų161.792%0.91684%0.837SS**  -154.338.1115.5-112.4170.2000113.1K996L994-K996 PolarHBondContact O-N 3.5Å
995E29.5Very low31Very low191 Ų191169.2 Ų169.289%0.89384%0.843SS**  trans-91.391.4170.7-171.1176.4-138.200110.6
996K31.9Very low31.4Very low189 Ų189164.7 Ų164.782%0.82283%0.825SS**  trans-172.6105.6159.8-110.2165.1-174.3171.90108.5L994L994-K996 PolarHBondContact O-N 3.5Å
997L30.2Very low31Very low155 Ų155163 Ų16381%0.81282%0.82SS**  trans-179.3123.9136.9-96.9166.1000110.9
998H30.3Very low30.4Very low175 Ų175155.9 Ų155.981%0.8181%0.809SS**  trans70.5144.2165.7-65.9-73000121.7
999S27.6Very low29.9Very low103 Ų103148.9 Ų148.972%0.7280%0.799SS**  trans-142.5162.9179-39.30000108.3
1000K31.5Very low30Very low209 Ų209153.1 Ų153.191%0.90981%0.805SS**  trans76.1139.6-177.9-45.2166.4-175.4-179.10111.7
1001S29.6Very low30.1Very low106 Ų106151.4 Ų151.474%0.74180%0.804SS**  cis-157.9144.729.253.10000115.7
1002S27.3Very low30Very low108 Ų108152.6 Ų152.676%0.75581%0.806SS**  trans25.3121.3146.460.70000124.3
1003A27.5Very low30Very low97 Ų97152.4 Ų152.480%0.80281%0.809SS**  78.4158.6125.500000123.3
1004I29.8Very low30.1Very low177 Ų177151.1 Ų151.191%0.90881%0.807SS**  trans106.2144.6168.9-58.3170.7000116.4
1005R26Very low30.2Very low229 Ų229148.7 Ų148.786%0.86480%0.802SS**  trans-133.8177.7-172.5-150.5-153.1174.7175.5-2.2106.6
1006P44.1Very low30.2Very low93 Ų93146.2 Ų146.260%0.60480%0.799SS**  cis-120.4-168.5-23.833.7-14000112.1
1007Q29Very low29.9Very low166 Ų166144.3 Ų144.378%0.77680%0.795SS**  167.3171.9122-85.3-80-18.300112.4
1008S27.2Very low29.8Very low102 Ų102143.7 Ų143.771%0.71379%0.792SS**  trans-52.5170.5-179.155.60000116.5
1009S27.9Very low30.1Very low105 Ų105145.6 Ų145.673%0.73482%0.816SS**  cis-154.1174.231.362.40000116.4
1010L30.4Very low30.2Very low155 Ų155147.7 Ų147.781%0.81282%0.821SS**  trans-62.8155.5169.8-5291.4000112
1011L30.4Very low30.1Very low168 Ų168144.5 Ų144.588%0.8882%0.816SS**  -163157.1103.4-101.8169.9000111.3
1012Q30.4Very low30.1Very low180 Ų180146.6 Ų146.684%0.84182%0.82SS**  trans-136.7116.3-173.7173.9-175.33.100107.9
1013L29.8Very low30.3Very low166 Ų166148.9 Ų148.987%0.86982%0.824SS**  trans-140.9129.3172.5-75.4177.3000110.7
1014T31.3Very low30.5Very low124 Ų124152.1 Ų152.176%0.76183%0.825SS**  trans-76.9153.1169.315.40000111
1015P32.9Very low30.5Very low125 Ų125150.5 Ų150.581%0.81282%0.82SS**  trans-77.2146.5171.533-33.7000111.3
1016V28.7Very low30.9Very low139 Ų139144.9 Ų144.984%0.84282%0.817SS**  trans-135.2153.8169.3178.50000108.2
1017M25.8Very low29.8Very low148 Ų148148.8 Ų148.873%0.72983%0.833SS**  trans-82.1-178.9-166.6-62.9151.549.300115
1018N28.1Very low29.9Very low142 Ų142147.4 Ų147.476%0.75984%0.838SS**  trans78.9145.2168.4-53.31.4000114.3
1019V36Very low30.2Very low215 Ų215151.5 Ų151.5100%1.30385%0.849SS**  cis-118.7010.2-178.70000110.8

Retrieved 1,019 of 1,019 residues in 242.9 ms (Link to these results)

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