A0A090N7W0_HUMAN Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A090N7W0, Species HUMAN (Homo sapiens, Human), Gene FKBP9L, Length 142 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
1M66.3Low75.1Confident124 Ų12494.3 Ų94.361%0.61151%0.505SS*.  0-47.30-165.4167.7-176.800110.8M3 G4 L5 I43M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 2.68Å; M1-M3 VanDerWaalsContact O-N 3.14Å; M1-G4 PolarHBondContact O-N 3.48Å; M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-I43 HydrophobicContact CE-CD1 4.36Å
2D72.3Confident75.9Confident120 Ų12090.9 Ų90.964%0.64248%0.484SS*.Hα-helixtrans-47.7-42.5-179.3-57.5-103.8000115.1G4 L5D2-G4 VanDerWaalsContact C-N 3.31Å; D2-G4 PolarHBondContact O-N 3.14Å; D2-L5 PolarHBondContact O-N 3.08Å
3M72.8Confident76.8Confident125 Ų12593.6 Ų93.662%0.61649%0.489SS*.Hα-helixtrans-65.3-32.7179.5-70.3-173.6-77.900113.3M1 L22M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 2.68Å; M1-M3 VanDerWaalsContact O-N 3.14Å; M3-L22 HydrophobicContact CE-CD1 4.2Å
4G68.7Low77.5Confident17 Ų1792.8 Ų92.818%0.17548%0.476CS..Hα-helixtrans-78.6-20.5-177.200000114M1 D2 R14M1-G4 PolarHBondContact O-N 3.48Å; D2-G4 VanDerWaalsContact C-N 3.31Å; D2-G4 PolarHBondContact O-N 3.14Å; G4-R14 PolarHBondContact O-NH1 3.09Å
5L75.5Confident78.2Confident70 Ų7092.1 Ų92.137%0.36648%0.478SS..Hα-helixtrans-90.4-12.6-178.8-60.8176.5000113.2M1 D2 M8 I43M1-L5 HydrophobicContact CG-CD1 4.14Å; D2-L5 PolarHBondContact O-N 3.08Å; L5-M8 HydrophobicContact CD2-SD 4.06Å; L5-I43 HydrophobicContact CD2-CD1 3.82Å; L5-I43 HydrophobicContact CD2-CG2 3.74Å
6R76.2Confident78.8Confident163 Ų16387.4 Ų87.462%0.61546%0.455SS*.THydrogen-bonded Turntrans-64.1140.6176.1-73.3-177.4-179128.63.4110.2M8 R14R6-M8 PolarHBondContact O-N 3.49Å; R6-R14 PolarHBondContact O-NH1 3.17Å
7E74.9Confident79.4Confident184 Ų18489.1 Ų89.186%0.8646%0.463SS*.THydrogen-bonded Turntrans59.820.5177.2-52.4-171.8102.100115.2
8M79.6Confident79.8Confident12 Ų1285.1 Ų85.16%0.05944%0.442CS..PPolyproline II helixtrans-75.1136.5169.4-74.9-173.570.900110.6L5 R6 E12 R14 L45L5-M8 HydrophobicContact CD2-SD 4.06Å; R6-M8 PolarHBondContact O-N 3.49Å; M8-E12 HydrophobicContact CE-CB 4.17Å; M8-E12 HydrophobicContact CE-CG 4.32Å; M8-E12 VanDerWaalsContact CE-O 3.26Å; M8-E12 WeakPolarHBondContact CE-O 3.17Å; M8-R14 HydrophobicContact CE-CB 3.73Å; M8-R14 HydrophobicContact SD-CB 4.12Å; M8-L45 HydrophobicContact CB-CB 4.4Å; M8-L45 HydrophobicContact CB-CD2 3.88Å; M8-L45 HydrophobicContact CE-CB 4Å; M8-L45 WeakPolarHBondContact O-CD2 3.48Å
9C78.4Confident80.2Confident84 Ų8482.7 Ų82.757%0.56843%0.433SS*.PPolyproline II helixtrans-83.4150.6170.1-67.30000111.1G11 E12C9-G11 PolarHBondContact O-N 3.49Å; C9-E12 HydrophobicContact CB-CB 4.41Å; C9-E12 PolarHBondContact N-OE2 3.06Å; C9-E12 VanDerWaalsContact N-OE2 3.07Å; C9-E12 WeakPolarHBondContact O-CB 3.36Å; C9-E12 PolarHBondContact O-N 3.42Å
10V81.8Confident80.5Confident88 Ų8880.1 Ų80.153%0.53342%0.421SS..THydrogen-bonded Turntrans-60.6130.2173.9-178.50000109.4L45 L46 L48V10-L45 HydrophobicContact CG2-CD2 4.37Å; V10-L46 VanDerWaalsContact CG1-O 3.24Å; V10-L46 WeakPolarHBondContact CG1-O 3.33Å; V10-L48 HydrophobicContact CG2-CB 3.61Å
11G80.3Confident80.7Confident50 Ų5083.3 Ų83.352%0.51543%0.433SS..THydrogen-bonded Turntrans86.1-2.5-172.300000114.8C9 L45C9-G11 PolarHBondContact O-N 3.49Å; G11-L45 WeakPolarHBondContact CA-O 2.98Å; G11-L45 PolarHBondContact N-O 3.02Å
12E84.2Confident81.4Confident54 Ų5482 Ų8225%0.25243%0.429SS..  trans-75.6135.3178-170.3-179.4136.300111.2M8 C9 R14 E44 L45M8-E12 HydrophobicContact CE-CB 4.17Å; M8-E12 HydrophobicContact CE-CG 4.32Å; M8-E12 VanDerWaalsContact CE-O 3.26Å; M8-E12 WeakPolarHBondContact CE-O 3.17Å; C9-E12 HydrophobicContact CB-CB 4.41Å; C9-E12 PolarHBondContact N-OE2 3.06Å; C9-E12 VanDerWaalsContact N-OE2 3.07Å; C9-E12 WeakPolarHBondContact O-CB 3.36Å; C9-E12 PolarHBondContact O-N 3.42Å; E12-R14 IonicContact OE1-CZ 2.71Å; E12-R14 VanDerWaalsContact OE1-CZ 3.26Å; E12-R14 IonicContact OE1-NE 2.71Å; E12-R14 PolarHBondContact OE1-NE 3.43Å; E12-R14 VanDerWaalsContact OE1-NE 3.13Å; E12-R14 IonicContact OE1-NH2 3.1Å; E12-R14 PolarHBondContact OE1-NH2 3Å; E12-E44 WeakPolarHBondContact O-CA 3.35Å; E12-L45 PolarHBondContact O-N 2.79Å
13K87.5Confident82Confident126 Ų12678.1 Ų78.155%0.54842%0.416SS..EExtended strand (participates in β ladder)trans-104129168.8-60.9-172.7-173-129.10109.4I43 E44K13-I43 CarbonylContact C-O 3.5Å; K13-I43 VanDerWaalsContact CA-O 3.29Å; K13-I43 WeakPolarHBondContact CA-O 3.47Å; K13-E44 VanDerWaalsContact CE-CD 3.41Å; K13-E44 WeakPolarHBondContact CE-OE1 3.01Å; K13-E44 VanDerWaalsContact CE-OE2 3.24Å; K13-E44 WeakPolarHBondContact CE-OE2 3.48Å; K13-E44 HydrophobicContact CG-CB 4.1Å; K13-E44 HydrophobicContact CG-CG 3.96Å; K13-E44 VanDerWaalsContact NZ-CD 3.35Å; K13-E44 IonicContact NZ-OE1 2.82Å; K13-E44 IonicContact NZ-OE2 3.04Å; K13-E44 PolarHBondContact NZ-OE2 3.05Å
14R86.5Confident82.5Confident82 Ų8278.2 Ų78.231%0.30941%0.411SS..EExtended strand (participates in β ladder)trans-136.9131.3-179.8-173.6178.5-72.6178.2-3.6110.3G4 R6 M8 E12 V16 I43G4-R14 PolarHBondContact O-NH1 3.09Å; R6-R14 PolarHBondContact O-NH1 3.17Å; M8-R14 HydrophobicContact CE-CB 3.73Å; M8-R14 HydrophobicContact SD-CB 4.12Å; E12-R14 IonicContact OE1-CZ 2.71Å; E12-R14 VanDerWaalsContact OE1-CZ 3.26Å; E12-R14 IonicContact OE1-NE 2.71Å; E12-R14 PolarHBondContact OE1-NE 3.43Å; E12-R14 VanDerWaalsContact OE1-NE 3.13Å; E12-R14 IonicContact OE1-NH2 3.1Å; E12-R14 PolarHBondContact OE1-NH2 3Å; R14-V16 HydrophobicContact CG-CG2 4.31Å; R14-I43 PolarHBondContact N-O 3.09Å; R14-I43 PolarHBondContact O-N 2.95Å
15T88.8Confident83.2Confident82 Ų8278.5 Ų78.550%0.50341%0.414SS..EExtended strand (participates in β ladder)trans-86.6118.3169.6-48.10000109.3V40 F41 D42T15-V40 HydrophobicContact CG2-CG1 3.58Å; T15-F41 CarbonylContact C-O 3.56Å; T15-F41 VanDerWaalsContact CA-O 3.26Å; T15-F41 WeakPolarHBondContact CA-O 3.32Å; T15-D42 PolarHBondContact OG1-OD2 3.5Å
16V88Confident83.7Confident18 Ų1883.5 Ų83.511%0.10944%0.435CS..EExtended strand (participates in β ladder)trans-105.7120.8178.7-177.70000109.4R14 I18 F41 I43R14-V16 HydrophobicContact CG-CG2 4.31Å; V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; V16-F41 PolarHBondContact N-O 2.89Å; V16-F41 PolarHBondContact O-N 3.41Å; V16-I43 HydrophobicContact CB-CD1 4.17Å; V16-I43 HydrophobicContact CG2-CD1 3.7Å; V16-I43 HydrophobicContact CG2-CG1 4.43Å
17I88.7Confident83.9Confident116 Ų11680.3 Ų80.360%0.59544%0.444SS*.EExtended strand (participates in β ladder)trans-100.3114.9177.2-55171.6000107.9V38 L39 V40I17-V38 HydrophobicContact CG2-CG1 3.63Å; I17-L39 CarbonylContact C-O 3.6Å; I17-L39 WeakPolarHBondContact CA-O 3.31Å; I17-V40 HydrophobicContact CG1-CG1 4.47Å; I17-V40 HydrophobicContact CG1-CG2 4.49Å
18I86.6Confident84.3Confident16 Ų1672.3 Ų72.38%0.08241%0.411CS..EExtended strand (participates in β ladder)trans-107.8112.6-178.4-50.6-176.6000108.5V16 L22 L39 F41V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; I18-L22 HydrophobicContact CG2-CB 3.73Å; I18-L22 WeakPolarHBondContact CG2-O 3.29Å; I18-L39 HydrophobicContact CB-CB 4.25Å; I18-L39 PolarHBondContact N-O 3.21Å; I18-L39 PolarHBondContact O-N 3.38Å; I18-F41 HydrophobicContact CD1-CD2 3.79Å; I18-F41 HydrophobicContact CD1-CE2 3.78Å; I18-F41 HydrophobicContact CG1-CD2 4.23Å; I18-F41 HydrophobicContact CG1-CE2 4.43Å
19P87.8Confident84.6Confident40 Ų4074 Ų7426%0.2642%0.422SS..  trans-67.4156.4175.430.6-35.8000110.5H21 L22 G23P19-H21 VanDerWaalsContact C-N 3.26Å; P19-H21 WeakPolarHBondContact CB-CE1 3.4Å; P19-H21 WeakPolarHBondContact CG-CE1 3.38Å; P19-H21 PolarHBondContact O-N 3.37Å; P19-H21 VanDerWaalsContact O-N 3.1Å; P19-L22 HydrophobicContact CG-CB 4.34Å; P19-L22 HydrophobicContact CG-CD1 3.99Å; P19-L22 HydrophobicContact CG-CG 4.19Å; P19-L22 PolarHBondContact O-N 2.94Å; P19-G23 PolarHBondContact O-N 3.43Å
20P85.3Confident84.8Confident30 Ų3077.9 Ų77.920%0.19544%0.437CS..G310 helixtrans-56.4-36.5-169.817.3-31.8000114.2L22 G23 G25 A37P20-L22 PolarHBondContact O-N 2.83Å; P20-G23 CarbonylContact O-C 3.53Å; P20-G23 PolarHBondContact O-N 3.2Å; P20-G25 VanDerWaalsContact O-CA 3.23Å; P20-G25 WeakPolarHBondContact O-CA 3.25Å; P20-G25 PolarHBondContact O-N 3.22Å; P20-A37 WeakPolarHBondContact CA-O 3.45Å; P20-A37 WeakPolarHBondContact CB-O 3.21Å
21H84.5Confident84.8Confident149 Ų14977.7 Ų77.769%0.6945%0.453SS*.G310 helixtrans-67.7-17.9179.360.1-88.7000114.2P19P19-H21 VanDerWaalsContact C-N 3.26Å; P19-H21 WeakPolarHBondContact CB-CE1 3.4Å; P19-H21 WeakPolarHBondContact CG-CE1 3.38Å; P19-H21 PolarHBondContact O-N 3.37Å; P19-H21 VanDerWaalsContact O-N 3.1Å
22L82Confident85Confident97 Ų9783.1 Ų83.151%0.50847%0.465SS..G310 helixtrans-103.50.4172.6-63.6179.5000112.7M3 I18 P19 P20M3-L22 HydrophobicContact CE-CD1 4.2Å; I18-L22 HydrophobicContact CG2-CB 3.73Å; I18-L22 WeakPolarHBondContact CG2-O 3.29Å; P19-L22 HydrophobicContact CG-CB 4.34Å; P19-L22 HydrophobicContact CG-CD1 3.99Å; P19-L22 HydrophobicContact CG-CG 4.19Å; P19-L22 PolarHBondContact O-N 2.94Å; P20-L22 PolarHBondContact O-N 2.83Å
23G83.8Confident84.9Confident37 Ų3781.9 Ų81.938%0.38146%0.461SS..THydrogen-bonded Turntrans-113.9-121.717800000111.1P19 P20P19-G23 PolarHBondContact O-N 3.43Å; P20-G23 CarbonylContact O-C 3.53Å; P20-G23 PolarHBondContact O-N 3.2Å
24Y84Confident84.8Confident127 Ų12780.5 Ų80.550%0.49846%0.464SS..THydrogen-bonded Turntrans-91.16.2-176.6-63.8-80.5000114.7G28 V29 V33 L39Y24-G28 PolarHBondContact O-N 3.39Å; Y24-G28 VanDerWaalsContact O-N 3.1Å; Y24-V29 HydrophobicContact CD1-CG2 3.28Å; Y24-V29 HydrophobicContact CD2-CG2 4.48Å; Y24-V29 HydrophobicContact CE1-CG2 3.49Å; Y24-V29 VanDerWaalsContact CE1-CG2 3.49Å; Y24-V29 HydrophobicContact CG-CG2 3.82Å; Y24-V33 HydrophobicContact CD2-CB 4.26Å; Y24-V33 HydrophobicContact CD2-CG1 3.89Å; Y24-V33 HydrophobicContact CD2-CG2 4.12Å; Y24-V33 HydrophobicContact CE2-CG2 4.11Å; Y24-V33 HydrophobicContact CG-CG1 4.42Å; Y24-L39 HydrophobicContact CD2-CD1 3.71Å; Y24-L39 HydrophobicContact CD2-CD2 4.33Å; Y24-L39 HydrophobicContact CE2-CD1 3.77Å
25G84.1Confident84.8Confident24 Ų2478.4 Ų78.425%0.24747%0.468CS..THydrogen-bonded Turntrans62.1-157.7175.900000114P20 A27 S36P20-G25 VanDerWaalsContact O-CA 3.23Å; P20-G25 WeakPolarHBondContact O-CA 3.25Å; P20-G25 PolarHBondContact O-N 3.22Å; G25-A27 VanDerWaalsContact C-N 3.32Å; G25-S36 PolarHBondContact O-N 3.29Å
26E84.6Confident84.7Confident174 Ų17477.7 Ų77.781%0.81347%0.467SS*.THydrogen-bonded Turntrans-74-25.5-179.9-62-179.491.100112.6G35E26-G35 VanDerWaalsContact O-CA 3.22Å; E26-G35 WeakPolarHBondContact O-CA 3.45Å
27A81.7Confident84.5Confident96 Ų9678 Ų7879%0.79347%0.472SS*.THydrogen-bonded Turntrans-74-30.7179.900000112.7G25G25-A27 VanDerWaalsContact C-N 3.32Å
28G83.4Confident84.5Confident16 Ų1676.7 Ų76.717%0.16547%0.469CS..  trans62.2-157.3-176.500000112.4Y24 V33Y24-G28 PolarHBondContact O-N 3.39Å; Y24-G28 VanDerWaalsContact O-N 3.1Å; G28-V33 CarbonylContact C-O 3.47Å; G28-V33 WeakPolarHBondContact CA-O 3.23Å
29V85.3Confident84.5Confident48 Ų4877.1 Ų77.129%0.29147%0.471SS..BIsolated β-bridgetrans-127.5120.7170.7-179.20000107.2Y24 G31 E32 V33Y24-V29 HydrophobicContact CD1-CG2 3.28Å; Y24-V29 HydrophobicContact CD2-CG2 4.48Å; Y24-V29 HydrophobicContact CE1-CG2 3.49Å; Y24-V29 VanDerWaalsContact CE1-CG2 3.49Å; Y24-V29 HydrophobicContact CG-CG2 3.82Å; V29-G31 PolarHBondContact O-N 3.04Å; V29-E32 HydrophobicContact CB-CB 4.35Å; V29-E32 HydrophobicContact CG1-CB 4.11Å; V29-E32 PolarHBondContact O-N 3.14Å; V29-E32 VanDerWaalsContact O-N 3.12Å; V29-V33 HydrophobicContact CB-CB 4.1Å; V29-V33 HydrophobicContact CB-CG2 4.38Å; V29-V33 HydrophobicContact CG2-CB 4.33Å; V29-V33 HydrophobicContact CG2-CG2 4.46Å; V29-V33 PolarHBondContact N-O 3.04Å; V29-V33 PolarHBondContact O-N 3.2Å; V29-V33 VanDerWaalsContact O-O 3.06Å
30D82.9Confident84.6Confident166 Ų16679.7 Ų79.789%0.88849%0.486SS*.THydrogen-bonded Turntrans-56.5124.8-176.9-159.5-104.5000110.8E32D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.16Å
31G80.9Confident84.7Confident84 Ų8482.1 Ų82.187%0.86649%0.493SS*.THydrogen-bonded Turntrans80.1-11.5179.900000117V29V29-G31 PolarHBondContact O-N 3.04Å
32E84.8Confident84.9Confident164 Ų16480.5 Ų80.577%0.76649%0.49SS*.THydrogen-bonded Turntrans-122.5-49.5-176.3-80.5173.265.400113.5V29 D30V29-E32 HydrophobicContact CB-CB 4.35Å; V29-E32 HydrophobicContact CG1-CB 4.11Å; V29-E32 PolarHBondContact O-N 3.14Å; V29-E32 VanDerWaalsContact O-N 3.12Å; D30-E32 VanDerWaalsContact C-N 3.29Å; D30-E32 PolarHBondContact O-N 3.16Å
33V82.8Confident85.1Confident28 Ų2877.1 Ų77.117%0.1747%0.472CS..BIsolated β-bridgetrans-127114.8-174.6-177.20000109.6Y24 G28 V29 A37 L39Y24-V33 HydrophobicContact CD2-CB 4.26Å; Y24-V33 HydrophobicContact CD2-CG1 3.89Å; Y24-V33 HydrophobicContact CD2-CG2 4.12Å; Y24-V33 HydrophobicContact CE2-CG2 4.11Å; Y24-V33 HydrophobicContact CG-CG1 4.42Å; G28-V33 CarbonylContact C-O 3.47Å; G28-V33 WeakPolarHBondContact CA-O 3.23Å; V29-V33 HydrophobicContact CB-CB 4.1Å; V29-V33 HydrophobicContact CB-CG2 4.38Å; V29-V33 HydrophobicContact CG2-CB 4.33Å; V29-V33 HydrophobicContact CG2-CG2 4.46Å; V29-V33 PolarHBondContact N-O 3.04Å; V29-V33 PolarHBondContact O-N 3.2Å; V29-V33 VanDerWaalsContact O-O 3.06Å; V33-A37 HydrophobicContact CG1-CB 4.09Å; V33-L39 HydrophobicContact CG1-CD2 3.89Å
34P84.4Confident85.2Confident96 Ų9679.6 Ų79.662%0.62347%0.474SS*.  trans-61.6144.6176.912.8-14.9000111.2S36 A37P34-S36 PolarHBondContact O-N 3.26Å; P34-A37 HydrophobicContact CB-CB 4.49Å; P34-A37 HydrophobicContact CG-CB 3.96Å; P34-A37 WeakPolarHBondContact O-CB 3.25Å; P34-A37 PolarHBondContact O-N 3.33Å; P34-A37 VanDerWaalsContact O-N 3.15Å
35G86.8Confident85.1Confident38 Ų3875.2 Ų75.239%0.39246%0.459SS..THydrogen-bonded Turntrans-54.1140.3172.100000111.2E26 A37E26-G35 VanDerWaalsContact O-CA 3.22Å; E26-G35 WeakPolarHBondContact O-CA 3.45Å; G35-A37 PolarHBondContact O-N 2.76Å
36S85.9Confident84.8Confident67 Ų6780.5 Ų80.547%0.46948%0.481SS..THydrogen-bonded Turntrans62.116.9-177.2-53.60000115.8G25 P34G25-S36 PolarHBondContact O-N 3.29Å; P34-S36 PolarHBondContact O-N 3.26Å
37A85.3Confident84.2Confident26 Ų2679 Ų7922%0.21547%0.474CS..PPolyproline II helixtrans-69.5141.917500000112.6P20 V33 P34 G35P20-A37 WeakPolarHBondContact CA-O 3.45Å; P20-A37 WeakPolarHBondContact CB-O 3.21Å; V33-A37 HydrophobicContact CG1-CB 4.09Å; P34-A37 HydrophobicContact CB-CB 4.49Å; P34-A37 HydrophobicContact CG-CB 3.96Å; P34-A37 WeakPolarHBondContact O-CB 3.25Å; P34-A37 PolarHBondContact O-N 3.33Å; P34-A37 VanDerWaalsContact O-N 3.15Å; G35-A37 PolarHBondContact O-N 2.76Å
38V87.1Confident83.5Confident87 Ų8780 Ų8053%0.52747%0.465SS..PPolyproline II helixtrans-84.6126.7167178.70000108I17I17-V38 HydrophobicContact CG2-CG1 3.63Å
39L87.3Confident82.7Confident25 Ų2583.3 Ų83.313%0.13148%0.482CS..EExtended strand (participates in β ladder)trans-93.6135.3177.8-50172.6000109.6I17 I18 Y24 V33 F41I17-L39 CarbonylContact C-O 3.6Å; I17-L39 WeakPolarHBondContact CA-O 3.31Å; I18-L39 HydrophobicContact CB-CB 4.25Å; I18-L39 PolarHBondContact N-O 3.21Å; I18-L39 PolarHBondContact O-N 3.38Å; Y24-L39 HydrophobicContact CD2-CD1 3.71Å; Y24-L39 HydrophobicContact CD2-CD2 4.33Å; Y24-L39 HydrophobicContact CE2-CD1 3.77Å; V33-L39 HydrophobicContact CG1-CD2 3.89Å; L39-F41 HydrophobicContact CB-CD2 4.08Å; L39-F41 HydrophobicContact CB-CE2 3.44Å; L39-F41 VanDerWaalsContact CB-CE2 3.44Å; L39-F41 HydrophobicContact CB-CZ 4.11Å; L39-F41 HydrophobicContact CD1-CE2 3.76Å; L39-F41 HydrophobicContact CD1-CZ 4.04Å; L39-F41 HydrophobicContact CG-CE2 4.21Å
40V88.9Confident81.7Confident95 Ų9584.2 Ų84.258%0.57650%0.495SS*.EExtended strand (participates in β ladder)trans-122.1115174.6-175.40000107.4T15 I17T15-V40 HydrophobicContact CG2-CG1 3.58Å; I17-V40 HydrophobicContact CG1-CG1 4.47Å; I17-V40 HydrophobicContact CG1-CG2 4.49Å
41F87.4Confident80.6Confident80 Ų8078.9 Ų78.935%0.35148%0.478SS..EExtended strand (participates in β ladder)trans-110.4133.6178.9-67.4-81.7000109.8T15 V16 I18 L39 I43T15-F41 CarbonylContact C-O 3.56Å; T15-F41 VanDerWaalsContact CA-O 3.26Å; T15-F41 WeakPolarHBondContact CA-O 3.32Å; V16-F41 PolarHBondContact N-O 2.89Å; V16-F41 PolarHBondContact O-N 3.41Å; I18-F41 HydrophobicContact CD1-CD2 3.79Å; I18-F41 HydrophobicContact CD1-CE2 3.78Å; I18-F41 HydrophobicContact CG1-CD2 4.23Å; I18-F41 HydrophobicContact CG1-CE2 4.43Å; L39-F41 HydrophobicContact CB-CD2 4.08Å; L39-F41 HydrophobicContact CB-CE2 3.44Å; L39-F41 VanDerWaalsContact CB-CE2 3.44Å; L39-F41 HydrophobicContact CB-CZ 4.11Å; L39-F41 HydrophobicContact CD1-CE2 3.76Å; L39-F41 HydrophobicContact CD1-CZ 4.04Å; L39-F41 HydrophobicContact CG-CE2 4.21Å; F41-I43 HydrophobicContact CB-CD1 4.28Å; F41-I43 HydrophobicContact CB-CG1 4Å
42D88.9Confident79.7Confident115 Ų11576.3 Ų76.362%0.61545%0.445SS*.EExtended strand (participates in β ladder)trans-96.7118.3163.8-155.5-107.9000108T15T15-D42 PolarHBondContact OG1-OD2 3.5Å
43I87.1Confident78.6Confident26 Ų2671.7 Ų71.713%0.13343%0.429CS..EExtended strand (participates in β ladder)trans-118.4131.6-173.1-53.5-179.7000108.6M1 L5 K13 R14 V16 F41M1-I43 HydrophobicContact CE-CD1 4.36Å; L5-I43 HydrophobicContact CD2-CD1 3.82Å; L5-I43 HydrophobicContact CD2-CG2 3.74Å; K13-I43 CarbonylContact C-O 3.5Å; K13-I43 VanDerWaalsContact CA-O 3.29Å; K13-I43 WeakPolarHBondContact CA-O 3.47Å; R14-I43 PolarHBondContact N-O 3.09Å; R14-I43 PolarHBondContact O-N 2.95Å; V16-I43 HydrophobicContact CB-CD1 4.17Å; V16-I43 HydrophobicContact CG2-CD1 3.7Å; V16-I43 HydrophobicContact CG2-CG1 4.43Å; F41-I43 HydrophobicContact CB-CD1 4.28Å; F41-I43 HydrophobicContact CB-CG1 4Å
44E85.9Confident77.4Confident89 Ų8980 Ų8042%0.41647%0.466SS..EExtended strand (participates in β ladder)trans-114.9121.9171.4-178.3170.2-175.500109.1E12 K13 L46E12-E44 WeakPolarHBondContact O-CA 3.35Å; K13-E44 VanDerWaalsContact CE-CD 3.41Å; K13-E44 WeakPolarHBondContact CE-OE1 3.01Å; K13-E44 VanDerWaalsContact CE-OE2 3.24Å; K13-E44 WeakPolarHBondContact CE-OE2 3.48Å; K13-E44 HydrophobicContact CG-CB 4.1Å; K13-E44 HydrophobicContact CG-CG 3.96Å; K13-E44 VanDerWaalsContact NZ-CD 3.35Å; K13-E44 IonicContact NZ-OE1 2.82Å; K13-E44 IonicContact NZ-OE2 3.04Å; K13-E44 PolarHBondContact NZ-OE2 3.05Å; E44-L46 HydrophobicContact CG-CD2 3.91Å; E44-L46 PolarHBondContact O-N 2.97Å
45L80.8Confident76.4Confident35 Ų3579.4 Ų79.418%0.18348%0.477CS..  trans-82.599.1175-173.769.4000109.2M8 V10 G11 E12 L48M8-L45 HydrophobicContact CB-CB 4.4Å; M8-L45 HydrophobicContact CB-CD2 3.88Å; M8-L45 HydrophobicContact CE-CB 4Å; M8-L45 WeakPolarHBondContact O-CD2 3.48Å; V10-L45 HydrophobicContact CG2-CD2 4.37Å; G11-L45 WeakPolarHBondContact CA-O 2.98Å; G11-L45 PolarHBondContact N-O 3.02Å; E12-L45 PolarHBondContact O-N 2.79Å; L45-L48 HydrophobicContact CD2-CD1 4.34Å
46L78.4Confident75.5Confident136 Ų13684.3 Ų84.371%0.71249%0.485SS*.  trans-73.1-40.7-178.6-63.1175.6000112.8V10 E44V10-L46 VanDerWaalsContact CG1-O 3.24Å; V10-L46 WeakPolarHBondContact CG1-O 3.33Å; E44-L46 HydrophobicContact CG-CD2 3.91Å; E44-L46 PolarHBondContact O-N 2.97Å
47E71.6Confident74.8Confident142 Ų14284.9 Ų84.966%0.66448%0.481SS*.  trans-154.4144.1-177.1-170.3172.988.700110.4V49E47-V49 HydrophobicContact CG-CG2 3.95Å; E47-V49 WeakPolarHBondContact OE1-CG2 3.28Å
48L68.4Low74.4Confident118 Ų11884.5 Ų84.562%0.61848%0.475SS*.  trans-112.3105.1170.4-171129.1000108.7V10 L45V10-L48 HydrophobicContact CG2-CB 3.61Å; L45-L48 HydrophobicContact CD2-CD1 4.34Å
49V66.8Low73.8Confident84 Ų8482.7 Ų82.751%0.50946%0.461SS..  trans-95.6111.9175.3-173.50000107.8E47 G51E47-V49 HydrophobicContact CG-CG2 3.95Å; E47-V49 WeakPolarHBondContact OE1-CG2 3.28Å; V49-G51 PolarHBondContact O-N 2.74Å
50A63.5Low73.4Confident68 Ų6885.9 Ų85.956%0.56247%0.472SS*.  trans-55.4112.3165.400000108
51G59.2Low72.6Confident53 Ų5385.1 Ų85.155%0.54647%0.465SS..PPolyproline II helixtrans-64.7162.7177.700000111.1V49V49-G51 PolarHBondContact O-N 2.74Å
52L61.8Low71.8Confident31 Ų3183.4 Ų83.416%0.16247%0.469CS..PPolyproline II helixtrans-63.8140.8169.5-42.9-170.5000108.7Y56 M57 I59 K99 A101L52-Y56 WeakPolarHBondContact CD1-O 3.38Å; L52-M57 VanDerWaalsContact CD1-C 3.48Å; L52-M57 WeakPolarHBondContact CD1-O 3.4Å; L52-I59 HydrophobicContact CB-CD1 4.4Å; L52-I59 HydrophobicContact CB-CG1 4.48Å; L52-I59 HydrophobicContact CD2-CD1 3.52Å; L52-I59 HydrophobicContact CD2-CG1 3.25Å; L52-I59 HydrophobicContact CG-CD1 4.5Å; L52-I59 HydrophobicContact CG-CG1 4.31Å; L52-K99 HydrophobicContact CD2-CB 4.09Å; L52-A101 HydrophobicContact CD1-CB 3.51Å; L52-A101 HydrophobicContact CG-CB 4.46Å
53P62.8Low70.6Confident67 Ų6787.6 Ų87.644%0.43549%0.485SS..PPolyproline II helixtrans-55.4147.3167.911.8-16000110.3G55 Y56P53-G55 PolarHBondContact O-N 3.05Å; P53-Y56 HydrophobicContact CB-CD2 3.71Å; P53-Y56 HydrophobicContact CB-CE2 4.04Å; P53-Y56 HydrophobicContact CG-CD2 3.52Å; P53-Y56 HydrophobicContact CG-CE2 3.95Å; P53-Y56 HydrophobicContact CG-CG 3.97Å; P53-Y56 WeakPolarHBondContact O-CD2 3.35Å; P53-Y56 PolarHBondContact O-N 3.31Å; P53-Y56 VanDerWaalsContact O-N 3.09Å
54E57.4Low69.8Low202 Ų20289.5 Ų89.594%0.94450%0.498SS*.THydrogen-bonded Turntrans-54.1129179.5-86.2-176.687.200110.8
55G63.4Low69.1Low83 Ų8387.6 Ų87.686%0.85649%0.494SS*.THydrogen-bonded Turntrans94.4-7.3-178.600000115.7P53P53-G55 PolarHBondContact O-N 3.05Å
56Y66.8Low68.8Low142 Ų14292.2 Ų92.256%0.55753%0.526SS*.  trans-97.5131.1176.6-66.6-98.5000110.7L52 P53L52-Y56 WeakPolarHBondContact CD1-O 3.38Å; P53-Y56 HydrophobicContact CB-CD2 3.71Å; P53-Y56 HydrophobicContact CB-CE2 4.04Å; P53-Y56 HydrophobicContact CG-CD2 3.52Å; P53-Y56 HydrophobicContact CG-CE2 3.95Å; P53-Y56 HydrophobicContact CG-CG 3.97Å; P53-Y56 WeakPolarHBondContact O-CD2 3.35Å; P53-Y56 PolarHBondContact O-N 3.31Å; P53-Y56 VanDerWaalsContact O-N 3.09Å
57M72.1Confident68.9Low79 Ų7990.1 Ų90.139%0.38952%0.516SS..SBendtrans-96-19177-64.5-176.5-77.700113L52 A101 I109 N112 M113L52-M57 VanDerWaalsContact CD1-C 3.48Å; L52-M57 WeakPolarHBondContact CD1-O 3.4Å; M57-A101 PolarHBondContact O-N 2.68Å; M57-I109 HydrophobicContact CB-CG1 4.3Å; M57-I109 HydrophobicContact CB-CG2 3.75Å; M57-N112 HydrophobicContact CE-CB 4.16Å; M57-M113 HydrophobicContact CB-CE 3.71Å
58F77.4Confident69.5Low18 Ų1883.9 Ų83.98%0.07949%0.487CS..EExtended strand (participates in β ladder)trans-152.7146.3175.8179.3-88.9000110.5W60 I89 V93 K99 L100 M113F58-W60 AromaticContact CE1-CD1 3.91Å; F58-W60 AromaticContact CE1-CD2 3.51Å; F58-W60 HydrophobicContact CE1-CD2 3.51Å; F58-W60 AromaticContact CE1-CE2 3.35Å; F58-W60 AromaticContact CE1-CE3 3.96Å; F58-W60 HydrophobicContact CE1-CE3 3.96Å; F58-W60 AromaticContact CE1-CG 3.86Å; F58-W60 HydrophobicContact CE1-CG 3.86Å; F58-W60 AromaticContact CE1-CH2 4Å; F58-W60 HydrophobicContact CE1-CH2 4Å; F58-W60 AromaticContact CE1-CZ2 3.62Å; F58-W60 HydrophobicContact CE1-CZ2 3.62Å; F58-W60 HydrophobicContact CE1-CZ3 4.19Å; F58-W60 AromaticContact CE1-NE1 3.63Å; F58-W60 HydrophobicContact CZ-CD2 4.18Å; F58-W60 HydrophobicContact CZ-CE3 4.16Å; F58-W60 HydrophobicContact CZ-CH2 4Å; F58-W60 HydrophobicContact CZ-CZ2 4.08Å; F58-W60 HydrophobicContact CZ-CZ3 4.09Å; F58-I89 HydrophobicContact CD2-CG2 4.07Å; F58-I89 HydrophobicContact CE1-CD1 4.47Å; F58-I89 HydrophobicContact CE2-CD1 4.31Å; F58-I89 HydrophobicContact CE2-CG2 3.66Å; F58-I89 HydrophobicContact CZ-CD1 4.07Å; F58-I89 HydrophobicContact CZ-CG2 4.4Å; F58-V93 HydrophobicContact CE2-CG2 3.85Å; F58-K99 VanDerWaalsContact CA-O 3.3Å; F58-K99 WeakPolarHBondContact CA-O 3.29Å; F58-K99 WeakPolarHBondContact CD2-O 3.26Å; F58-L100 HydrophobicContact CB-CD2 4.46Å; F58-L100 HydrophobicContact CD2-CD2 3.63Å; F58-L100 HydrophobicContact CD2-CG 3.95Å; F58-L100 HydrophobicContact CE2-CD2 4.43Å; F58-L100 HydrophobicContact CE2-CG 4.45Å; F58-M113 HydrophobicContact CB-CE 3.1Å; F58-M113 HydrophobicContact CB-SD 3.63Å; F58-M113 HydrophobicContact CG-CE 4.21Å; F58-M113 HydrophobicContact CG-SD 4.16Å
59I74.9Confident70.3Confident49 Ų4979.4 Ų79.425%0.25146%0.463SS..EExtended strand (participates in β ladder)trans-130.4142169.17.3171.7000110.9L52 G98 K99L52-I59 HydrophobicContact CB-CD1 4.4Å; L52-I59 HydrophobicContact CB-CG1 4.48Å; L52-I59 HydrophobicContact CD2-CD1 3.52Å; L52-I59 HydrophobicContact CD2-CG1 3.25Å; L52-I59 HydrophobicContact CG-CD1 4.5Å; L52-I59 HydrophobicContact CG-CG1 4.31Å; I59-G98 CarbonylContact O-C 3.58Å; I59-G98 WeakPolarHBondContact O-CA 3.24Å; I59-K99 PolarHBondContact N-O 2.93Å; I59-K99 PolarHBondContact O-N 2.96Å
60W78.1Confident71.2Confident91 Ų9181.8 Ų81.835%0.34547%0.468SS..EExtended strand (participates in β ladder)trans-81.2124.4166.1-60.896000108.9F58 G62 V64 Y88 I89 Q92F58-W60 AromaticContact CE1-CD1 3.91Å; F58-W60 AromaticContact CE1-CD2 3.51Å; F58-W60 HydrophobicContact CE1-CD2 3.51Å; F58-W60 AromaticContact CE1-CE2 3.35Å; F58-W60 AromaticContact CE1-CE3 3.96Å; F58-W60 HydrophobicContact CE1-CE3 3.96Å; F58-W60 AromaticContact CE1-CG 3.86Å; F58-W60 HydrophobicContact CE1-CG 3.86Å; F58-W60 AromaticContact CE1-CH2 4Å; F58-W60 HydrophobicContact CE1-CH2 4Å; F58-W60 AromaticContact CE1-CZ2 3.62Å; F58-W60 HydrophobicContact CE1-CZ2 3.62Å; F58-W60 HydrophobicContact CE1-CZ3 4.19Å; F58-W60 AromaticContact CE1-NE1 3.63Å; F58-W60 HydrophobicContact CZ-CD2 4.18Å; F58-W60 HydrophobicContact CZ-CE3 4.16Å; F58-W60 HydrophobicContact CZ-CH2 4Å; F58-W60 HydrophobicContact CZ-CZ2 4.08Å; F58-W60 HydrophobicContact CZ-CZ3 4.09Å; W60-G62 VanDerWaalsContact C-N 3.3Å; W60-V64 HydrophobicContact CB-CG2 4.22Å; W60-V64 HydrophobicContact CD2-CG2 3.69Å; W60-V64 HydrophobicContact CE3-CG2 4.08Å; W60-V64 HydrophobicContact CG-CG2 3.75Å; W60-Y88 HydrophobicContact CH2-CD1 4.24Å; W60-Y88 AromaticContact CH2-CE1 3.65Å; W60-Y88 HydrophobicContact CH2-CE1 3.65Å; W60-Y88 HydrophobicContact CZ3-CE1 4.06Å; W60-I89 HydrophobicContact CH2-CD1 3.86Å; W60-I89 HydrophobicContact CZ2-CD1 3.97Å; W60-Q92 HydrophobicContact CH2-CG 4.17Å; W60-Q92 HydrophobicContact CZ3-CB 4.03Å; W60-Q92 HydrophobicContact CZ3-CG 3.72Å
61N71.9Confident72.3Confident80 Ų8082.5 Ų82.543%0.42846%0.46SS..SBendtrans-86.4-1.7175.4-64.8-35.1000112.7G96 K97N61-G96 PolarHBondContact ND2-O 3.12Å; N61-K97 PolarHBondContact N-O 2.95Å
62G70.2Confident73.7Confident44 Ų4480.2 Ų80.245%0.45444%0.435SS..SBendtrans-146.2175.2-177.400000112.4W60 V64W60-G62 VanDerWaalsContact C-N 3.3Å; G62-V64 PolarHBondContact O-N 3.27Å
63E65.3Low75Confident203 Ų20379.6 Ų79.695%0.94943%0.432SS*.PPolyproline II helixtrans-68.3125.8176.3-63.1179.4101.400109.9
64V70Confident76Confident66 Ų6684 Ų8440%0.444%0.444SS..PPolyproline II helixtrans-76.5128.8175.5-177.10000108W60 G62 L68W60-V64 HydrophobicContact CB-CG2 4.22Å; W60-V64 HydrophobicContact CD2-CG2 3.69Å; W60-V64 HydrophobicContact CE3-CG2 4.08Å; W60-V64 HydrophobicContact CG-CG2 3.75Å; G62-V64 PolarHBondContact O-N 3.27Å; V64-L68 HydrophobicContact CG1-CB 3.79Å; V64-L68 HydrophobicContact CG1-CD1 4.17Å; V64-L68 HydrophobicContact CG1-CD2 3.28Å; V64-L68 HydrophobicContact CG1-CG 3.93Å
65S70.4Confident77.5Confident48 Ų4879.1 Ų79.134%0.33643%0.425SS..PPolyproline II helixtrans-58.3143.7178.6-50.60000111.1N67 L68 E71S65-N67 PolarHBondContact O-N 3.06Å; S65-N67 VanDerWaalsContact O-N 3.14Å; S65-L68 WeakPolarHBondContact O-CB 3.23Å; S65-L68 PolarHBondContact O-N 2.87Å; S65-L68 VanDerWaalsContact O-N 3.08Å; S65-E71 WeakPolarHBondContact CB-OE2 3.36Å; S65-E71 PolarHBondContact OG-OE2 3.15Å
66P74.2Confident78.6Confident132 Ų13278 Ų7886%0.85741%0.413SS*.THydrogen-bonded Turntrans-62.4-21174.625.3-33.7000112.9
67N81.1Confident79.6Confident93 Ų9374.3 Ų74.350%0.49740%0.403SS..THydrogen-bonded Turntrans-102.425.1178.2-58.5-27000112.4S65 F69 E70 E71S65-N67 PolarHBondContact O-N 3.06Å; S65-N67 VanDerWaalsContact O-N 3.14Å; N67-F69 PolarHBondContact O-N 3.04Å; N67-F69 VanDerWaalsContact O-N 3.09Å; N67-E70 WeakPolarHBondContact CB-OE2 3.12Å; N67-E70 PolarHBondContact O-N 3.24Å; N67-E70 PolarHBondContact OD1-OE2 3.36Å; N67-E71 PolarHBondContact O-N 2.87Å
68L84Confident80.3Confident10 Ų1072 Ų725%0.05240%0.4CS..Hα-helixtrans-49.7-39.3-178.7171.664.4000112.7V64 S65 E70 E71 I72 Y88 F130V64-L68 HydrophobicContact CG1-CB 3.79Å; V64-L68 HydrophobicContact CG1-CD1 4.17Å; V64-L68 HydrophobicContact CG1-CD2 3.28Å; V64-L68 HydrophobicContact CG1-CG 3.93Å; S65-L68 WeakPolarHBondContact O-CB 3.23Å; S65-L68 PolarHBondContact O-N 2.87Å; S65-L68 VanDerWaalsContact O-N 3.08Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-E70 PolarHBondContact O-N 2.82Å; L68-E71 WeakPolarHBondContact O-CB 3.42Å; L68-E71 PolarHBondContact O-N 2.9Å; L68-E71 VanDerWaalsContact O-N 3.09Å; L68-I72 HydrophobicContact CD1-CD1 3.77Å; L68-I72 HydrophobicContact CD1-CG1 3.97Å; L68-I72 HydrophobicContact CD2-CD1 4.25Å; L68-I72 HydrophobicContact CG-CD1 3.72Å; L68-I72 HydrophobicContact CG-CG1 4.34Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.38Å; L68-Y88 HydrophobicContact CD1-CD1 4.31Å; L68-Y88 HydrophobicContact CD1-CE1 3.31Å; L68-Y88 HydrophobicContact CD1-CE2 4.19Å; L68-Y88 WeakPolarHBondContact CD1-OH 3.44Å; L68-F130 HydrophobicContact CD2-CE2 4.18Å; L68-F130 HydrophobicContact CD2-CZ 3.57Å; L68-F130 HydrophobicContact CG-CZ 4.23Å
69F85.3Confident80.9Confident25 Ų2574.3 Ų74.311%0.1141%0.411CS..Hα-helixtrans-57.8-46.9179.2-171.8-87.9000111.9N67 E71 I72 D73 G78 V80 V125 T126 A127 F130N67-F69 PolarHBondContact O-N 3.04Å; N67-F69 VanDerWaalsContact O-N 3.09Å; F69-E71 PolarHBondContact O-N 2.79Å; F69-I72 PolarHBondContact O-N 2.93Å; F69-D73 HydrophobicContact CD1-CB 4.49Å; F69-D73 HydrophobicContact CE1-CB 4.22Å; F69-D73 VanDerWaalsContact O-CB 3.31Å; F69-D73 WeakPolarHBondContact O-CB 3.35Å; F69-D73 PolarHBondContact O-N 2.7Å; F69-G78 WeakPolarHBondContact CZ-O 3.45Å; F69-V80 HydrophobicContact CD2-CG2 4.06Å; F69-V80 HydrophobicContact CE1-CG2 4.47Å; F69-V80 HydrophobicContact CE2-CB 4.39Å; F69-V80 HydrophobicContact CE2-CG2 3.62Å; F69-V80 HydrophobicContact CZ-CG2 3.85Å; F69-V125 WeakPolarHBondContact CE2-O 3.48Å; F69-T126 VanDerWaalsContact CE2-C 3.43Å; F69-A127 HydrophobicContact CD1-CB 4.1Å; F69-A127 HydrophobicContact CD2-CB 4.37Å; F69-A127 HydrophobicContact CE1-CB 3.89Å; F69-A127 HydrophobicContact CE2-CB 4.17Å; F69-A127 VanDerWaalsContact CE2-N 3.29Å; F69-A127 HydrophobicContact CG-CB 4.35Å; F69-A127 HydrophobicContact CZ-CB 3.93Å; F69-A127 VanDerWaalsContact CZ-N 3.27Å; F69-F130 HydrophobicContact CD2-CB 3.99Å; F69-F130 HydrophobicContact CD2-CD2 4.34Å; F69-F130 HydrophobicContact CD2-CG 4.14Å
70E85.9Confident81.6Confident133 Ų13372.1 Ų72.162%0.62140%0.4SS*.Hα-helixtrans-68.9-23.3177.5-59.5175.992.400112.4N67 L68N67-E70 WeakPolarHBondContact CB-OE2 3.12Å; N67-E70 PolarHBondContact O-N 3.24Å; N67-E70 PolarHBondContact OD1-OE2 3.36Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-E70 PolarHBondContact O-N 2.82Å
71E85.8Confident82.2Confident84 Ų8471.2 Ų71.239%0.39340%0.401SS..Hα-helixtrans-77.7-28.4174.4-65.6-169.790.300112.7S65 N67 L68 F69 Y88S65-E71 WeakPolarHBondContact CB-OE2 3.36Å; S65-E71 PolarHBondContact OG-OE2 3.15Å; N67-E71 PolarHBondContact O-N 2.87Å; L68-E71 WeakPolarHBondContact O-CB 3.42Å; L68-E71 PolarHBondContact O-N 2.9Å; L68-E71 VanDerWaalsContact O-N 3.09Å; F69-E71 PolarHBondContact O-N 2.79Å; E71-Y88 HydrophobicContact CB-CE2 4.12Å
72I88.6Confident83Confident5 Ų570.6 Ų70.63%0.02640%0.398CS..Hα-helixtrans-84.3-45.9178.3-59164.2000110.5L68 F69 K74 V80 E84 F85 Y88L68-I72 HydrophobicContact CD1-CD1 3.77Å; L68-I72 HydrophobicContact CD1-CG1 3.97Å; L68-I72 HydrophobicContact CD2-CD1 4.25Å; L68-I72 HydrophobicContact CG-CD1 3.72Å; L68-I72 HydrophobicContact CG-CG1 4.34Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.38Å; F69-I72 PolarHBondContact O-N 2.93Å; I72-K74 PolarHBondContact O-N 2.91Å; I72-V80 HydrophobicContact CB-CG1 4.45Å; I72-V80 HydrophobicContact CB-CG2 4.08Å; I72-V80 HydrophobicContact CG2-CB 4.32Å; I72-V80 HydrophobicContact CG2-CG1 3.44Å; I72-V80 VanDerWaalsContact CG2-CG1 3.44Å; I72-V80 HydrophobicContact CG2-CG2 3.89Å; I72-E84 HydrophobicContact CG2-CB 4.21Å; I72-F85 HydrophobicContact CD1-CD2 4.33Å; I72-Y88 HydrophobicContact CB-CG 4.46Å; I72-Y88 HydrophobicContact CD1-CD1 4.09Å; I72-Y88 HydrophobicContact CD1-CE1 4.34Å; I72-Y88 HydrophobicContact CD1-CG 4.42Å; I72-Y88 HydrophobicContact CG1-CD1 3.68Å; I72-Y88 HydrophobicContact CG1-CD2 3.79Å; I72-Y88 HydrophobicContact CG1-CE1 4.03Å; I72-Y88 HydrophobicContact CG1-CE2 4.15Å; I72-Y88 HydrophobicContact CG1-CG 3.55Å
73D89.4Confident83.9Confident17 Ų1775.5 Ų75.59%0.09141%0.409CS..  trans-68.688.3177.8177.310.8000110.2F69 G76 N77 G78 V80F69-D73 HydrophobicContact CD1-CB 4.49Å; F69-D73 HydrophobicContact CE1-CB 4.22Å; F69-D73 VanDerWaalsContact O-CB 3.31Å; F69-D73 WeakPolarHBondContact O-CB 3.35Å; F69-D73 PolarHBondContact O-N 2.7Å; D73-G76 WeakPolarHBondContact OD1-CA 3.24Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.25Å; D73-N77 PolarHBondContact OD1-N 3Å; D73-N77 PolarHBondContact OD1-OD1 2.71Å; D73-N77 PolarHBondContact OD2-N 2.94Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.3Å; D73-G78 PolarHBondContact OD2-N 3.45Å; D73-V80 HydrophobicContact CB-CG2 4.12Å
74K84.8Confident85.1Confident159 Ų15967 Ų6769%0.69137%0.369SS*.SBendtrans-81.9-30.5-172.9-78.9-156.5-175.1168.70112.5I72 G76 E84I72-K74 PolarHBondContact O-N 2.91Å; K74-G76 VanDerWaalsContact C-N 3.29Å; K74-E84 PolarHBondContact N-OE1 3.34Å
75D87.6Confident86Confident101 Ų10165.1 Ų65.154%0.5436%0.355SS..SBendtrans-83.8-10.5176.175.1-27.3000112.3N77D75-N77 VanDerWaalsContact C-N 3.27Å; D75-N77 VanDerWaalsContact CG-CG 3.46Å; D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 PolarHBondContact OD1-N 3.18Å; D75-N77 PolarHBondContact OD1-ND2 2.82Å; D75-N77 PolarHBondContact OD1-OD1 2.66Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 VanDerWaalsContact OD2-CG 3.25Å; D75-N77 PolarHBondContact OD2-ND2 2.71Å
76G86.2Confident86.9Confident59 Ų5964.3 Ų64.361%0.60835%0.35SS*.  trans70.427.7173.400000111.8D73 K74 G78D73-G76 WeakPolarHBondContact OD1-CA 3.24Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.25Å; K74-G76 VanDerWaalsContact C-N 3.29Å; G76-G78 VanDerWaalsContact C-N 3.32Å
77N88.1Confident87.6Confident64 Ų6463.7 Ų63.734%0.34234%0.336SS..SBendtrans-85.2-8.1-175.770.210.5000112.3D73 D75 E79D73-N77 PolarHBondContact OD1-N 3Å; D73-N77 PolarHBondContact OD1-OD1 2.71Å; D73-N77 PolarHBondContact OD2-N 2.94Å; D75-N77 VanDerWaalsContact C-N 3.27Å; D75-N77 VanDerWaalsContact CG-CG 3.46Å; D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 PolarHBondContact OD1-N 3.18Å; D75-N77 PolarHBondContact OD1-ND2 2.82Å; D75-N77 PolarHBondContact OD1-OD1 2.66Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 VanDerWaalsContact OD2-CG 3.25Å; D75-N77 PolarHBondContact OD2-ND2 2.71Å; N77-E79 VanDerWaalsContact OD1-CA 3.28Å; N77-E79 WeakPolarHBondContact OD1-CA 3.07Å; N77-E79 WeakPolarHBondContact OD1-CB 3.43Å; N77-E79 PolarHBondContact OD1-N 2.89Å; N77-E79 PolarHBondContact OD1-O 3.46Å
78G86.4Confident87.9Confident32 Ų3260.5 Ų60.533%0.3332%0.317SS..SBendtrans82.210.7-177.100000114.6F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.45Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.3Å; D73-G78 PolarHBondContact OD2-N 3.45Å; G76-G78 VanDerWaalsContact C-N 3.32Å
79E90.2Very high88.1Confident66 Ų6660.1 Ų60.131%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-138.6106.5-171.5-53.3-175.7112.900110.1N77 L81 K124 T126N77-E79 VanDerWaalsContact OD1-CA 3.28Å; N77-E79 WeakPolarHBondContact OD1-CA 3.07Å; N77-E79 WeakPolarHBondContact OD1-CB 3.43Å; N77-E79 PolarHBondContact OD1-N 2.89Å; N77-E79 PolarHBondContact OD1-O 3.46Å; E79-L81 PolarHBondContact O-N 3.09Å; E79-K124 HydrophobicContact CB-CB 4.47Å; E79-K124 HydrophobicContact CB-CD 4.31Å; E79-K124 HydrophobicContact CG-CD 4.33Å; E79-K124 WeakPolarHBondContact OE1-CD 3.3Å; E79-K124 VanDerWaalsContact OE1-CE 3.23Å; E79-K124 WeakPolarHBondContact OE1-CE 3.49Å; E79-K124 IonicContact OE1-NZ 3.98Å; E79-K124 PolarHBondContact OE1-NZ 2.86Å; E79-T126 HydrophobicContact CG-CG2 4.42Å
80V90.7Very high88.2Confident2 Ų262.6 Ų62.61%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-80.6116.5178.41700000110.2F69 I72 D73 F85 F114 V125F69-V80 HydrophobicContact CD2-CG2 4.06Å; F69-V80 HydrophobicContact CE1-CG2 4.47Å; F69-V80 HydrophobicContact CE2-CB 4.39Å; F69-V80 HydrophobicContact CE2-CG2 3.62Å; F69-V80 HydrophobicContact CZ-CG2 3.85Å; I72-V80 HydrophobicContact CB-CG1 4.45Å; I72-V80 HydrophobicContact CB-CG2 4.08Å; I72-V80 HydrophobicContact CG2-CB 4.32Å; I72-V80 HydrophobicContact CG2-CG1 3.44Å; I72-V80 VanDerWaalsContact CG2-CG1 3.44Å; I72-V80 HydrophobicContact CG2-CG2 3.89Å; D73-V80 HydrophobicContact CB-CG2 4.12Å; V80-F85 HydrophobicContact CG1-CB 3.9Å; V80-F85 HydrophobicContact CG1-CD2 4.32Å; V80-F114 WeakPolarHBondContact O-CE2 3.49Å; V80-V125 HydrophobicContact CB-CB 4.26Å; V80-V125 WeakPolarHBondContact CB-O 3.4Å; V80-V125 PolarHBondContact N-O 3.46Å; V80-V125 PolarHBondContact O-N 3.4Å
81L91.1Very high88.3Confident73 Ų7358.5 Ų58.538%0.38232%0.315SS..EExtended strand (participates in β ladder)trans-82.6162.2174.4-68.4165.6000111.9E79 E83 E84 F85 K124E79-L81 PolarHBondContact O-N 3.09Å; L81-E83 PolarHBondContact O-N 3.36Å; L81-E84 HydrophobicContact CB-CG 4.47Å; L81-E84 PolarHBondContact N-OE2 2.95Å; L81-E84 PolarHBondContact O-N 2.73Å; L81-F85 WeakPolarHBondContact O-CB 3.29Å; L81-F85 PolarHBondContact O-N 3.34Å; L81-K124 HydrophobicContact CD2-CB 4.31Å
82L88.2Confident88.3Confident67 Ų6755.4 Ų55.435%0.35130%0.301SS..Hα-helixtrans-55.2-39.2175.2178.870.3000111.6S86 K111 F114L82-S86 VanDerWaalsContact O-CB 3.24Å; L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 2.88Å; L82-S86 PolarHBondContact O-OG 3.3Å; L82-K111 HydrophobicContact CD1-CB 4.39Å; L82-F114 HydrophobicContact CB-CD1 4.45Å; L82-F114 HydrophobicContact CB-CD2 4.4Å; L82-F114 HydrophobicContact CB-CE1 4.38Å; L82-F114 HydrophobicContact CB-CE2 4.32Å; L82-F114 HydrophobicContact CB-CG 4.45Å; L82-F114 HydrophobicContact CB-CZ 4.3Å; L82-F114 HydrophobicContact CD1-CB 3.69Å; L82-F114 HydrophobicContact CD1-CD1 4.03Å; L82-F114 HydrophobicContact CD1-CD2 4.15Å; L82-F114 HydrophobicContact CD1-CG 3.67Å
83E88.8Confident88.2Confident146 Ų14657.5 Ų57.568%0.68231%0.314SS*.Hα-helixtrans-62.5-50.1179.7-69.1177.986.600110.8L81 F85 S86 E87L81-E83 PolarHBondContact O-N 3.36Å; E83-F85 PolarHBondContact O-N 3.47Å; E83-S86 PolarHBondContact O-N 2.72Å; E83-S86 PolarHBondContact O-OG 2.89Å; E83-E87 PolarHBondContact O-N 3.21Å
84E89.7Confident88Confident24 Ų2461 Ų6111%0.11235%0.345CS..Hα-helixtrans-63.4-43.2178.3-63.6-178.8108.200112.1I72 K74 L81 S86 E87 Y88I72-E84 HydrophobicContact CG2-CB 4.21Å; K74-E84 PolarHBondContact N-OE1 3.34Å; L81-E84 HydrophobicContact CB-CG 4.47Å; L81-E84 PolarHBondContact N-OE2 2.95Å; L81-E84 PolarHBondContact O-N 2.73Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.21Å; E84-E87 PolarHBondContact O-N 3.37Å; E84-Y88 WeakPolarHBondContact O-CB 2.94Å; E84-Y88 PolarHBondContact O-N 2.93Å
85F88.8Confident87.9Confident27 Ų2757.4 Ų57.412%0.11834%0.34CS..Hα-helixtrans-61.6-43.1175.7-170.2-99.4000111.1I72 V80 L81 E83 Y88 I89 V110 M113 F114I72-F85 HydrophobicContact CD1-CD2 4.33Å; V80-F85 HydrophobicContact CG1-CB 3.9Å; V80-F85 HydrophobicContact CG1-CD2 4.32Å; L81-F85 WeakPolarHBondContact O-CB 3.29Å; L81-F85 PolarHBondContact O-N 3.34Å; E83-F85 PolarHBondContact O-N 3.47Å; F85-Y88 PolarHBondContact O-N 3.44Å; F85-I89 HydrophobicContact CD1-CG1 4.07Å; F85-I89 HydrophobicContact CE1-CD1 4.2Å; F85-I89 HydrophobicContact CE1-CG1 3.71Å; F85-I89 HydrophobicContact CZ-CD1 3.99Å; F85-I89 HydrophobicContact CZ-CG1 4Å; F85-I89 VanDerWaalsContact O-CG1 3.3Å; F85-I89 WeakPolarHBondContact O-CG1 2.81Å; F85-I89 PolarHBondContact O-N 2.83Å; F85-V110 HydrophobicContact CD1-CG1 3.73Å; F85-V110 HydrophobicContact CE1-CG1 4.18Å; F85-M113 HydrophobicContact CE1-CB 3.82Å; F85-M113 HydrophobicContact CZ-CB 4.1Å; F85-F114 HydrophobicContact CB-CD2 3.9Å; F85-F114 HydrophobicContact CB-CE2 4.4Å; F85-F114 HydrophobicContact CD1-CB 4.18Å; F85-F114 HydrophobicContact CD1-CD2 4.25Å; F85-F114 HydrophobicContact CG-CD2 4.06Å
86S89.3Confident87.6Confident31 Ų3154.8 Ų54.822%0.21734%0.336CS..Hα-helixtrans-64-49178.177.40000112L82 E83 E84 Y88 I89 H90L82-S86 VanDerWaalsContact O-CB 3.24Å; L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 2.88Å; L82-S86 PolarHBondContact O-OG 3.3Å; E83-S86 PolarHBondContact O-N 2.72Å; E83-S86 PolarHBondContact O-OG 2.89Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.21Å; S86-Y88 PolarHBondContact O-N 3.06Å; S86-I89 PolarHBondContact O-N 2.93Å; S86-H90 WeakPolarHBondContact O-CB 3.44Å; S86-H90 PolarHBondContact O-CD2 2.93Å; S86-H90 PolarHBondContact O-N 3.22Å
87E89.6Confident87.4Confident120 Ų12057.4 Ų57.456%0.56133%0.331SS*.Hα-helixtrans-57.8-41.9177.4-81.7-158.977.200110.6E83 E84 A91E83-E87 PolarHBondContact O-N 3.21Å; E84-E87 PolarHBondContact O-N 3.37Å; E87-A91 VanDerWaalsContact O-CB 3.25Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 2.96Å
88Y88Confident87Confident26 Ų2654.4 Ų54.410%0.10232%0.316CS..Hα-helixtrans-63.3-52.1176.9-172.9-97.6000111.8W60 L68 E71 I72 E84 F85 S86 H90 A91 Q92W60-Y88 HydrophobicContact CH2-CD1 4.24Å; W60-Y88 AromaticContact CH2-CE1 3.65Å; W60-Y88 HydrophobicContact CH2-CE1 3.65Å; W60-Y88 HydrophobicContact CZ3-CE1 4.06Å; L68-Y88 HydrophobicContact CD1-CD1 4.31Å; L68-Y88 HydrophobicContact CD1-CE1 3.31Å; L68-Y88 HydrophobicContact CD1-CE2 4.19Å; L68-Y88 WeakPolarHBondContact CD1-OH 3.44Å; E71-Y88 HydrophobicContact CB-CE2 4.12Å; I72-Y88 HydrophobicContact CB-CG 4.46Å; I72-Y88 HydrophobicContact CD1-CD1 4.09Å; I72-Y88 HydrophobicContact CD1-CE1 4.34Å; I72-Y88 HydrophobicContact CD1-CG 4.42Å; I72-Y88 HydrophobicContact CG1-CD1 3.68Å; I72-Y88 HydrophobicContact CG1-CD2 3.79Å; I72-Y88 HydrophobicContact CG1-CE1 4.03Å; I72-Y88 HydrophobicContact CG1-CE2 4.15Å; I72-Y88 HydrophobicContact CG1-CG 3.55Å; E84-Y88 WeakPolarHBondContact O-CB 2.94Å; E84-Y88 PolarHBondContact O-N 2.93Å; F85-Y88 PolarHBondContact O-N 3.44Å; S86-Y88 PolarHBondContact O-N 3.06Å; Y88-H90 VanDerWaalsContact C-N 3.3Å; Y88-H90 PolarHBondContact O-N 3.24Å; Y88-A91 WeakPolarHBondContact O-CB 3.15Å; Y88-A91 PolarHBondContact O-N 3.04Å; Y88-A91 VanDerWaalsContact O-N 3.09Å; Y88-Q92 HydrophobicContact CD1-CG 3.79Å; Y88-Q92 HydrophobicContact CE1-CG 3.44Å; Y88-Q92 VanDerWaalsContact CE1-CG 3.44Å; Y88-Q92 HydrophobicContact CE2-CG 4.31Å; Y88-Q92 VanDerWaalsContact CE2-NE2 3.3Å; Y88-Q92 HydrophobicContact CG-CG 4.36Å; Y88-Q92 WeakPolarHBondContact O-CG 3.28Å; Y88-Q92 PolarHBondContact O-N 3.46Å; Y88-Q92 PolarHBondContact OH-NE2 3.45Å
89I87.4Confident86.8Confident1 Ų156.5 Ų56.51%0.00532%0.316CS..Hα-helixtrans-58.6-43.8179.1-64.7-62.3000111F58 W60 F85 S86 A91 Q92 V93 L100 V110F58-I89 HydrophobicContact CD2-CG2 4.07Å; F58-I89 HydrophobicContact CE1-CD1 4.47Å; F58-I89 HydrophobicContact CE2-CD1 4.31Å; F58-I89 HydrophobicContact CE2-CG2 3.66Å; F58-I89 HydrophobicContact CZ-CD1 4.07Å; F58-I89 HydrophobicContact CZ-CG2 4.4Å; W60-I89 HydrophobicContact CH2-CD1 3.86Å; W60-I89 HydrophobicContact CZ2-CD1 3.97Å; F85-I89 HydrophobicContact CD1-CG1 4.07Å; F85-I89 HydrophobicContact CE1-CD1 4.2Å; F85-I89 HydrophobicContact CE1-CG1 3.71Å; F85-I89 HydrophobicContact CZ-CD1 3.99Å; F85-I89 HydrophobicContact CZ-CG1 4Å; F85-I89 VanDerWaalsContact O-CG1 3.3Å; F85-I89 WeakPolarHBondContact O-CG1 2.81Å; F85-I89 PolarHBondContact O-N 2.83Å; S86-I89 PolarHBondContact O-N 2.93Å; I89-A91 PolarHBondContact O-N 2.84Å; I89-Q92 PolarHBondContact O-N 3.08Å; I89-V93 HydrophobicContact CG2-CG2 4.43Å; I89-V93 VanDerWaalsContact O-CG2 3.25Å; I89-V93 WeakPolarHBondContact O-CG2 3.24Å; I89-V93 PolarHBondContact O-N 3.18Å; I89-L100 HydrophobicContact CG2-CD2 4.24Å; I89-V110 HydrophobicContact CB-CG2 3.95Å; I89-V110 HydrophobicContact CG1-CG2 4.38Å; I89-V110 HydrophobicContact CG2-CG2 3.71Å
90H87.8Confident86.4Confident78 Ų7854.9 Ų54.936%0.36131%0.309SS..Hα-helixtrans-60.9-42.7175.1-79.3-71.9000112.1S86 Y88 Q92 V93 A94S86-H90 WeakPolarHBondContact O-CB 3.44Å; S86-H90 PolarHBondContact O-CD2 2.93Å; S86-H90 PolarHBondContact O-N 3.22Å; Y88-H90 VanDerWaalsContact C-N 3.3Å; Y88-H90 PolarHBondContact O-N 3.24Å; H90-Q92 VanDerWaalsContact C-N 3.33Å; H90-Q92 PolarHBondContact O-N 2.99Å; H90-V93 PolarHBondContact O-N 3.07Å; H90-A94 WeakPolarHBondContact O-CB 3.49Å; H90-A94 PolarHBondContact O-N 2.98Å
91A87.9Confident85.8Confident47 Ų4755.5 Ų55.539%0.38831%0.314SS..Hα-helixtrans-63.8-37.6176.200000112.3E87 Y88 I89 A94 S95E87-A91 VanDerWaalsContact O-CB 3.25Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 2.96Å; Y88-A91 WeakPolarHBondContact O-CB 3.15Å; Y88-A91 PolarHBondContact O-N 3.04Å; Y88-A91 VanDerWaalsContact O-N 3.09Å; I89-A91 PolarHBondContact O-N 2.84Å; A91-A94 PolarHBondContact O-N 3.03Å; A91-S95 VanDerWaalsContact O-CB 3.23Å; A91-S95 WeakPolarHBondContact O-CB 3.03Å; A91-S95 PolarHBondContact O-N 2.89Å; A91-S95 PolarHBondContact O-OG 3.3Å
92Q85.9Confident84.8Confident18 Ų1857.3 Ų57.38%0.08433%0.33CS..Hα-helixtrans-69.7-38.9177.7-64-66-40.800111.7W60 Y88 I89 H90 S95 G96 K97 G98W60-Q92 HydrophobicContact CH2-CG 4.17Å; W60-Q92 HydrophobicContact CZ3-CB 4.03Å; W60-Q92 HydrophobicContact CZ3-CG 3.72Å; Y88-Q92 HydrophobicContact CD1-CG 3.79Å; Y88-Q92 HydrophobicContact CE1-CG 3.44Å; Y88-Q92 VanDerWaalsContact CE1-CG 3.44Å; Y88-Q92 HydrophobicContact CE2-CG 4.31Å; Y88-Q92 VanDerWaalsContact CE2-NE2 3.3Å; Y88-Q92 HydrophobicContact CG-CG 4.36Å; Y88-Q92 WeakPolarHBondContact O-CG 3.28Å; Y88-Q92 PolarHBondContact O-N 3.46Å; Y88-Q92 PolarHBondContact OH-NE2 3.45Å; I89-Q92 PolarHBondContact O-N 3.08Å; H90-Q92 VanDerWaalsContact C-N 3.33Å; H90-Q92 PolarHBondContact O-N 2.99Å; Q92-S95 PolarHBondContact O-N 3.18Å; Q92-G96 PolarHBondContact O-N 2.86Å; Q92-G96 VanDerWaalsContact O-N 3.15Å; Q92-K97 HydrophobicContact CB-CB 4.4Å; Q92-K97 PolarHBondContact O-N 3.12Å; Q92-G98 PolarHBondContact O-N 2.86Å
93V85.4Confident84Confident50 Ų5058.2 Ų58.230%0.30336%0.356SS..Hα-helixtrans-66.2-45.2174.11760000110.8F58 I89 H90 S95 G96 G98 L100F58-V93 HydrophobicContact CE2-CG2 3.85Å; I89-V93 HydrophobicContact CG2-CG2 4.43Å; I89-V93 VanDerWaalsContact O-CG2 3.25Å; I89-V93 WeakPolarHBondContact O-CG2 3.24Å; I89-V93 PolarHBondContact O-N 3.18Å; H90-V93 PolarHBondContact O-N 3.07Å; V93-S95 VanDerWaalsContact C-N 3.27Å; V93-S95 PolarHBondContact O-N 3.22Å; V93-G96 PolarHBondContact O-N 3.2Å; V93-G98 WeakPolarHBondContact CA-O 3.46Å; V93-L100 HydrophobicContact CG1-CD1 4.44Å; V93-L100 HydrophobicContact CG2-CD1 3.71Å; V93-L100 HydrophobicContact CG2-CG 3.75Å
94A85.6Confident83.3Confident90 Ų9058.3 Ų58.374%0.74435%0.354SS*.Hα-helixtrans-63.2-34.117600000112.6H90 A91 G96H90-A94 WeakPolarHBondContact O-CB 3.49Å; H90-A94 PolarHBondContact O-N 2.98Å; A91-A94 PolarHBondContact O-N 3.03Å; A94-G96 VanDerWaalsContact C-N 3.25Å; A94-G96 PolarHBondContact O-N 2.81Å
95S83.2Confident82.9Confident83 Ų8362.7 Ų62.758%0.5838%0.379SS*.THydrogen-bonded Turntrans-80.7-2176.1-57.50000113.5A91 Q92 V93 K97A91-S95 VanDerWaalsContact O-CB 3.23Å; A91-S95 WeakPolarHBondContact O-CB 3.03Å; A91-S95 PolarHBondContact O-N 2.89Å; A91-S95 PolarHBondContact O-OG 3.3Å; Q92-S95 PolarHBondContact O-N 3.18Å; V93-S95 VanDerWaalsContact C-N 3.27Å; V93-S95 PolarHBondContact O-N 3.22Å; S95-K97 PolarHBondContact O-N 2.75Å
96G81.4Confident82.6Confident46 Ų4662.8 Ų62.847%0.47439%0.385SS..THydrogen-bonded Turntrans73.81.9-177.100000115.2N61 Q92 V93 A94 G98N61-G96 PolarHBondContact ND2-O 3.12Å; Q92-G96 PolarHBondContact O-N 2.86Å; Q92-G96 VanDerWaalsContact O-N 3.15Å; V93-G96 PolarHBondContact O-N 3.2Å; A94-G96 VanDerWaalsContact C-N 3.25Å; A94-G96 PolarHBondContact O-N 2.81Å; G96-G98 VanDerWaalsContact C-N 3.33Å
97K81.1Confident82.4Confident114 Ų11468.6 Ų68.650%0.49641%0.408SS..SBendtrans-76.7-19177.9-70.1-178.7176.6-179.20113N61 Q92 S95N61-K97 PolarHBondContact N-O 2.95Å; Q92-K97 HydrophobicContact CB-CB 4.4Å; Q92-K97 PolarHBondContact O-N 3.12Å; S95-K97 PolarHBondContact O-N 2.75Å
98G80.9Confident82.2Confident2 Ų267.5 Ų67.52%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-131.7155.8175.400000112.5I59 Q92 V93 G96I59-G98 CarbonylContact O-C 3.58Å; I59-G98 WeakPolarHBondContact O-CA 3.24Å; Q92-G98 PolarHBondContact O-N 2.86Å; V93-G98 WeakPolarHBondContact CA-O 3.46Å; G96-G98 VanDerWaalsContact C-N 3.33Å
99K81.9Confident82.1Confident75 Ų7566.4 Ų66.433%0.32640%0.402SS..EExtended strand (participates in β ladder)trans-131128.4171.5-83.3173.2-179.5-1800110.2L52 F58 I59L52-K99 HydrophobicContact CD2-CB 4.09Å; F58-K99 VanDerWaalsContact CA-O 3.3Å; F58-K99 WeakPolarHBondContact CA-O 3.29Å; F58-K99 WeakPolarHBondContact CD2-O 3.26Å; I59-K99 PolarHBondContact N-O 2.93Å; I59-K99 PolarHBondContact O-N 2.96Å
100L82.3Confident82Confident33 Ų3366.4 Ų66.417%0.17340%0.402CS..EExtended strand (participates in β ladder)trans-92.2157.7172.5-71161.6000110.5F58 I89 V93 A106 I109F58-L100 HydrophobicContact CB-CD2 4.46Å; F58-L100 HydrophobicContact CD2-CD2 3.63Å; F58-L100 HydrophobicContact CD2-CG 3.95Å; F58-L100 HydrophobicContact CE2-CD2 4.43Å; F58-L100 HydrophobicContact CE2-CG 4.45Å; I89-L100 HydrophobicContact CG2-CD2 4.24Å; V93-L100 HydrophobicContact CG1-CD1 4.44Å; V93-L100 HydrophobicContact CG2-CD1 3.71Å; V93-L100 HydrophobicContact CG2-CG 3.75Å; L100-A106 HydrophobicContact CD1-CB 3.83Å; L100-I109 HydrophobicContact CB-CD1 4.28Å; L100-I109 HydrophobicContact CD2-CB 4Å; L100-I109 HydrophobicContact CD2-CD1 3.96Å; L100-I109 HydrophobicContact CD2-CG2 3.54Å
101A76.8Confident82Confident14 Ų1468.3 Ų68.312%0.11641%0.409CS..PPolyproline II helixtrans-64.6124.1179.200000110.5L52 M57 G103 F104 I109L52-A101 HydrophobicContact CD1-CB 3.51Å; L52-A101 HydrophobicContact CG-CB 4.46Å; M57-A101 PolarHBondContact O-N 2.68Å; A101-G103 PolarHBondContact O-N 3.24Å; A101-F104 HydrophobicContact CB-CB 4.32Å; A101-F104 HydrophobicContact CB-CD2 3.95Å; A101-F104 HydrophobicContact CB-CG 4.44Å; A101-I109 HydrophobicContact CB-CD1 4.05Å
102P70.4Confident82Confident111 Ų11169 Ų6972%0.72141%0.406SS*.THydrogen-bonded Turntrans-66.4135.4174.826.9-32.2000110.3
103G71.5Confident81.9Confident87 Ų8770.2 Ų70.290%0.89741%0.412SS*.THydrogen-bonded Turntrans87.92.8178.300000115.9A101A101-G103 PolarHBondContact O-N 3.24Å
104F73.4Confident82Confident147 Ų14768.2 Ų68.265%0.64540%0.4SS*.SBendtrans-114.4150.3173.1-75.1-93.9000111A101 A106 I109A101-F104 HydrophobicContact CB-CB 4.32Å; A101-F104 HydrophobicContact CB-CD2 3.95Å; A101-F104 HydrophobicContact CB-CG 4.44Å; F104-A106 PolarHBondContact O-N 3.37Å; F104-I109 HydrophobicContact CB-CD1 3.85Å; F104-I109 HydrophobicContact CB-CG1 4.28Å
105D82.6Confident82.1Confident117 Ų11767.8 Ų67.863%0.62639%0.388SS*.  trans-63.5120.7176-89.1-80.4000111.5E107 L108 I109D105-E107 VanDerWaalsContact C-N 3.31Å; D105-E107 PolarHBondContact O-N 3.36Å; D105-L108 HydrophobicContact CB-CB 3.84Å; D105-L108 WeakPolarHBondContact O-CB 3.42Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.09Å; D105-I109 WeakPolarHBondContact O-CG1 3.47Å; D105-I109 PolarHBondContact O-N 2.95Å
106A83.1Confident82.2Confident29 Ų2969.7 Ų69.724%0.2439%0.391CS..Hα-helixtrans-57.4-44.6179.800000111.7L100 F104 L108 I109 V110L100-A106 HydrophobicContact CD1-CB 3.83Å; F104-A106 PolarHBondContact O-N 3.37Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 2.99Å; A106-I109 PolarHBondContact O-N 3.2Å; A106-V110 WeakPolarHBondContact O-CB 3.22Å; A106-V110 VanDerWaalsContact O-CG2 3.22Å; A106-V110 WeakPolarHBondContact O-CG2 3.48Å; A106-V110 PolarHBondContact O-N 3.24Å
107E84.9Confident82.3Confident152 Ų15268.8 Ų68.871%0.7138%0.375SS*.Hα-helixtrans-60.2-38.7176.7-75.8179.67100112.3D105 K111D105-E107 VanDerWaalsContact C-N 3.31Å; D105-E107 PolarHBondContact O-N 3.36Å; E107-K111 WeakPolarHBondContact O-CB 3.35Å; E107-K111 PolarHBondContact O-N 3.46Å
108L85.1Confident82.7Confident97 Ų9764.1 Ų64.151%0.50836%0.355SS..Hα-helixtrans-69.7-38.8179.6-171.866.4000111.3D105 A106 N112D105-L108 HydrophobicContact CB-CB 3.84Å; D105-L108 WeakPolarHBondContact O-CB 3.42Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.09Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 2.99Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 2.93Å; L108-N112 PolarHBondContact O-ND2 3.48Å
109I84.8Confident82.7Confident3 Ų371.7 Ų71.72%0.01538%0.383CS..Hα-helixtrans-62.5-51.6175.2-65.9166.5000110.1M57 L100 A101 F104 D105 A106 K111 N112 M113M57-I109 HydrophobicContact CB-CG1 4.3Å; M57-I109 HydrophobicContact CB-CG2 3.75Å; L100-I109 HydrophobicContact CB-CD1 4.28Å; L100-I109 HydrophobicContact CD2-CB 4Å; L100-I109 HydrophobicContact CD2-CD1 3.96Å; L100-I109 HydrophobicContact CD2-CG2 3.54Å; A101-I109 HydrophobicContact CB-CD1 4.05Å; F104-I109 HydrophobicContact CB-CD1 3.85Å; F104-I109 HydrophobicContact CB-CG1 4.28Å; D105-I109 WeakPolarHBondContact O-CG1 3.47Å; D105-I109 PolarHBondContact O-N 2.95Å; A106-I109 PolarHBondContact O-N 3.2Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 2.86Å; I109-N112 PolarHBondContact O-N 2.75Å; I109-M113 HydrophobicContact CG2-CE 3.37Å; I109-M113 HydrophobicContact CG2-SD 3.93Å; I109-M113 WeakPolarHBondContact O-CG 3.44Å; I109-M113 PolarHBondContact O-N 2.74Å
110V87Confident82.9Confident1 Ų172.6 Ų72.61%0.00639%0.392CS..Hα-helixtrans-58.6-46.9179.4170.90000110.4F85 I89 A106 N112 M113 F114F85-V110 HydrophobicContact CD1-CG1 3.73Å; F85-V110 HydrophobicContact CE1-CG1 4.18Å; I89-V110 HydrophobicContact CB-CG2 3.95Å; I89-V110 HydrophobicContact CG1-CG2 4.38Å; I89-V110 HydrophobicContact CG2-CG2 3.71Å; A106-V110 WeakPolarHBondContact O-CB 3.22Å; A106-V110 VanDerWaalsContact O-CG2 3.22Å; A106-V110 WeakPolarHBondContact O-CG2 3.48Å; A106-V110 PolarHBondContact O-N 3.24Å; V110-N112 PolarHBondContact O-N 2.84Å; V110-M113 WeakPolarHBondContact O-CB 3.4Å; V110-M113 PolarHBondContact O-N 3.45Å; V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.18Å
111K87.4Confident83Confident119 Ų11973.9 Ų73.952%0.51741%0.413SS..Hα-helixtrans-61.3-43.6178.1-174.7176.4-177.8175.40112L82 E107 I109 M113 F114 T115L82-K111 HydrophobicContact CD1-CB 4.39Å; E107-K111 WeakPolarHBondContact O-CB 3.35Å; E107-K111 PolarHBondContact O-N 3.46Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 2.86Å; K111-M113 VanDerWaalsContact C-N 3.34Å; K111-M113 PolarHBondContact O-N 2.95Å; K111-F114 WeakPolarHBondContact O-CB 3.41Å; K111-F114 PolarHBondContact O-N 3.46Å; K111-T115 PolarHBondContact O-N 2.94Å; K111-T115 PolarHBondContact O-OG1 3.06Å; K111-T115 VanDerWaalsContact O-OG1 3.06Å
112N86.6Confident83.5Confident62 Ų6276.8 Ų76.833%0.33243%0.426SS..Hα-helixtrans-61.8-42.8174.8-81.9-57.5000111.4M57 L108 I109 V110 F114 T115 N116M57-N112 HydrophobicContact CE-CB 4.16Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 2.93Å; L108-N112 PolarHBondContact O-ND2 3.48Å; I109-N112 PolarHBondContact O-N 2.75Å; V110-N112 PolarHBondContact O-N 2.84Å; N112-F114 VanDerWaalsContact C-N 3.32Å; N112-F114 PolarHBondContact O-N 3.21Å; N112-T115 PolarHBondContact O-N 3.25Å; N112-N116 WeakPolarHBondContact O-CB 3.07Å; N112-N116 PolarHBondContact O-N 3.13Å; N112-N116 PolarHBondContact O-ND2 2.94Å
113M84.6Confident84.3Confident42 Ų4273.2 Ų73.221%0.20741%0.41CS..Hα-helixtrans-61.3-43.2176.5-74.3169.9-170.200112.1M57 F58 F85 I109 V110 K111 N116 Q117M57-M113 HydrophobicContact CB-CE 3.71Å; F58-M113 HydrophobicContact CB-CE 3.1Å; F58-M113 HydrophobicContact CB-SD 3.63Å; F58-M113 HydrophobicContact CG-CE 4.21Å; F58-M113 HydrophobicContact CG-SD 4.16Å; F85-M113 HydrophobicContact CE1-CB 3.82Å; F85-M113 HydrophobicContact CZ-CB 4.1Å; I109-M113 HydrophobicContact CG2-CE 3.37Å; I109-M113 HydrophobicContact CG2-SD 3.93Å; I109-M113 WeakPolarHBondContact O-CG 3.44Å; I109-M113 PolarHBondContact O-N 2.74Å; V110-M113 WeakPolarHBondContact O-CB 3.4Å; V110-M113 PolarHBondContact O-N 3.45Å; K111-M113 VanDerWaalsContact C-N 3.34Å; K111-M113 PolarHBondContact O-N 2.95Å; M113-N116 PolarHBondContact O-N 3.42Å; M113-Q117 PolarHBondContact O-N 2.88Å
114F88.3Confident85.2Confident9 Ų972 Ų724%0.03938%0.38CS..Hα-helixtrans-60.7-52.5176.3-174.6-89.5000111.4V80 L82 F85 V110 K111 N112 N116 Q117 D118 G123 V125V80-F114 WeakPolarHBondContact O-CE2 3.49Å; L82-F114 HydrophobicContact CB-CD1 4.45Å; L82-F114 HydrophobicContact CB-CD2 4.4Å; L82-F114 HydrophobicContact CB-CE1 4.38Å; L82-F114 HydrophobicContact CB-CE2 4.32Å; L82-F114 HydrophobicContact CB-CG 4.45Å; L82-F114 HydrophobicContact CB-CZ 4.3Å; L82-F114 HydrophobicContact CD1-CB 3.69Å; L82-F114 HydrophobicContact CD1-CD1 4.03Å; L82-F114 HydrophobicContact CD1-CD2 4.15Å; L82-F114 HydrophobicContact CD1-CG 3.67Å; F85-F114 HydrophobicContact CB-CD2 3.9Å; F85-F114 HydrophobicContact CB-CE2 4.4Å; F85-F114 HydrophobicContact CD1-CB 4.18Å; F85-F114 HydrophobicContact CD1-CD2 4.25Å; F85-F114 HydrophobicContact CG-CD2 4.06Å; V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.18Å; K111-F114 WeakPolarHBondContact O-CB 3.41Å; K111-F114 PolarHBondContact O-N 3.46Å; N112-F114 VanDerWaalsContact C-N 3.32Å; N112-F114 PolarHBondContact O-N 3.21Å; F114-N116 PolarHBondContact O-N 3.25Å; F114-Q117 CarbonylContact O-C 3.59Å; F114-Q117 WeakPolarHBondContact O-CA 3.43Å; F114-Q117 PolarHBondContact O-N 3.32Å; F114-D118 HydrophobicContact CD1-CB 4.36Å; F114-D118 HydrophobicContact CE1-CB 4.12Å; F114-D118 WeakPolarHBondContact O-CB 3.46Å; F114-D118 PolarHBondContact O-N 3.09Å; F114-G123 VanDerWaalsContact CZ-O 3.29Å; F114-G123 WeakPolarHBondContact CZ-O 3.26Å; F114-V125 HydrophobicContact CD2-CG2 3.98Å; F114-V125 HydrophobicContact CE2-CB 4.36Å; F114-V125 HydrophobicContact CE2-CG2 3.65Å; F114-V125 HydrophobicContact CZ-CG2 3.94Å
115T87.3Confident85.9Confident81 Ų8165.3 Ų65.350%0.49735%0.351SS..Hα-helixtrans-62.6-27.1177.8-56.80000113.1K111 N112 Q117K111-T115 PolarHBondContact O-N 2.94Å; K111-T115 PolarHBondContact O-OG1 3.06Å; K111-T115 VanDerWaalsContact O-OG1 3.06Å; N112-T115 PolarHBondContact O-N 3.25Å; T115-Q117 VanDerWaalsContact C-N 3.28Å
116N84.8Confident86.2Confident122 Ų12261 Ų6165%0.65233%0.329SS*.Hα-helixtrans-74.3-21.1173-86.1-90.8000112.9N112 M113 F114N112-N116 WeakPolarHBondContact O-CB 3.07Å; N112-N116 PolarHBondContact O-N 3.13Å; N112-N116 PolarHBondContact O-ND2 2.94Å; M113-N116 PolarHBondContact O-N 3.42Å; F114-N116 PolarHBondContact O-N 3.25Å
117Q83.9Confident86.3Confident27 Ų2761.4 Ų61.413%0.12633%0.333CS..Hα-helixtrans-96.1-34.4179.3-16265.147.800112M113 F114 T115 R119 V125 E129M113-Q117 PolarHBondContact O-N 2.88Å; F114-Q117 CarbonylContact O-C 3.59Å; F114-Q117 WeakPolarHBondContact O-CA 3.43Å; F114-Q117 PolarHBondContact O-N 3.32Å; T115-Q117 VanDerWaalsContact C-N 3.28Å; Q117-R119 PolarHBondContact O-N 2.91Å; Q117-R119 VanDerWaalsContact O-N 3.12Å; Q117-V125 HydrophobicContact CB-CG1 4.37Å; Q117-V125 HydrophobicContact CB-CG2 3.97Å; Q117-V125 HydrophobicContact CG-CG1 3.58Å; Q117-V125 HydrophobicContact CG-CG2 4.1Å; Q117-E129 PolarHBondContact NE2-O 2.93Å
118D88.5Confident86.2Confident16 Ų1661.5 Ų61.59%0.08633%0.333CS..  trans-7192.9170.3174.510.8000109.3F114 N120 G121 D122 G123 V125F114-D118 HydrophobicContact CD1-CB 4.36Å; F114-D118 HydrophobicContact CE1-CB 4.12Å; F114-D118 WeakPolarHBondContact O-CB 3.46Å; F114-D118 PolarHBondContact O-N 3.09Å; D118-N120 PolarHBondContact OD1-OD1 3.25Å; D118-G121 WeakPolarHBondContact OD1-CA 3.5Å; D118-G121 PolarHBondContact OD1-N 3Å; D118-G121 WeakPolarHBondContact OD2-CA 3.14Å; D118-D122 PolarHBondContact OD1-N 3.37Å; D118-D122 VanDerWaalsContact OD1-N 3.12Å; D118-G123 WeakPolarHBondContact OD2-CA 3.27Å; D118-G123 PolarHBondContact OD2-N 3.44Å; D118-V125 HydrophobicContact CB-CG2 4.11Å
119R82.4Confident86.1Confident162 Ų16257.5 Ų57.561%0.61131%0.312SS*.SBendtrans-86.2-30.8-172-173.6174.2178.4112.51.6111.3Q117 G121 E129 E136Q117-R119 PolarHBondContact O-N 2.91Å; Q117-R119 VanDerWaalsContact O-N 3.12Å; R119-G121 VanDerWaalsContact C-N 3.34Å; R119-E129 PolarHBondContact N-OE1 3.28Å; R119-E136 VanDerWaalsContact CZ-CD 3.47Å; R119-E136 IonicContact CZ-OE1 2.75Å; R119-E136 IonicContact CZ-OE2 2.68Å; R119-E136 IonicContact NE-OE2 3.18Å; R119-E136 VanDerWaalsContact NH1-CD 3.29Å; R119-E136 IonicContact NH1-OE1 3.26Å; R119-E136 PolarHBondContact NH1-OE1 2.85Å; R119-E136 IonicContact NH1-OE2 3.81Å; R119-E136 PolarHBondContact NH1-OE2 3.1Å; R119-E136 IonicContact NH2-OE1 3.13Å; R119-E136 PolarHBondContact NH2-OE1 2.9Å; R119-E136 IonicContact NH2-OE2 3.59Å; R119-E136 PolarHBondContact NH2-OE2 3.24Å
120N85.3Confident85.9Confident94 Ų9460.8 Ų60.850%0.50333%0.326SS..SBendtrans-86-11.1179.269.917.4000112.1D118 D122 E129D118-N120 PolarHBondContact OD1-OD1 3.25Å; N120-D122 VanDerWaalsContact C-N 3.31Å; N120-D122 VanDerWaalsContact CG-CG 3.46Å; N120-D122 VanDerWaalsContact ND2-CG 3.34Å; N120-D122 PolarHBondContact ND2-OD2 3.05Å; N120-D122 VanDerWaalsContact ND2-OD2 3.08Å; N120-D122 VanDerWaalsContact OD1-CB 3.28Å; N120-D122 WeakPolarHBondContact OD1-CB 3.47Å; N120-D122 PolarHBondContact OD1-N 3.3Å; N120-D122 PolarHBondContact OD1-OD1 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3.09Å; N120-E129 PolarHBondContact N-OE1 3.04Å
121G84.8Confident85.1Confident60 Ų6068.3 Ų68.362%0.61936%0.359SS*.  trans7222.9176.700000113.5D118 R119 G123D118-G121 WeakPolarHBondContact OD1-CA 3.5Å; D118-G121 PolarHBondContact OD1-N 3Å; D118-G121 WeakPolarHBondContact OD2-CA 3.14Å; R119-G121 VanDerWaalsContact C-N 3.34Å; G121-G123 VanDerWaalsContact C-N 3.32Å
122D87.5Confident83.7Confident74 Ų7465.8 Ų65.840%0.39635%0.35SS..SBendtrans-88.6-0.8-175.774-2.2000113.3D118 N120 K124D118-D122 PolarHBondContact OD1-N 3.37Å; D118-D122 VanDerWaalsContact OD1-N 3.12Å; N120-D122 VanDerWaalsContact C-N 3.31Å; N120-D122 VanDerWaalsContact CG-CG 3.46Å; N120-D122 VanDerWaalsContact ND2-CG 3.34Å; N120-D122 PolarHBondContact ND2-OD2 3.05Å; N120-D122 VanDerWaalsContact ND2-OD2 3.08Å; N120-D122 VanDerWaalsContact OD1-CB 3.28Å; N120-D122 WeakPolarHBondContact OD1-CB 3.47Å; N120-D122 PolarHBondContact OD1-N 3.3Å; N120-D122 PolarHBondContact OD1-OD1 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3.09Å; D122-K124 WeakPolarHBondContact OD1-CG 3.36Å; D122-K124 PolarHBondContact OD1-N 2.88Å; D122-K124 WeakPolarHBondContact OD2-CE 3.43Å; D122-K124 WeakPolarHBondContact OD2-CG 3.47Å; D122-K124 IonicContact OD2-NZ 2.66Å
123G86.7Confident82.1Confident37 Ų3770.1 Ų70.138%0.38137%0.366SS..SBendtrans8114.2177.300000114.1F114 D118 G121F114-G123 VanDerWaalsContact CZ-O 3.29Å; F114-G123 WeakPolarHBondContact CZ-O 3.26Å; D118-G123 WeakPolarHBondContact OD2-CA 3.27Å; D118-G123 PolarHBondContact OD2-N 3.44Å; G121-G123 VanDerWaalsContact C-N 3.32Å
124K89.6Confident80.2Confident62 Ų6275.1 Ų75.127%0.2739%0.394SS..EExtended strand (participates in β ladder)trans-138.8147174.450.3-179.2-179.9-176.10109.5E79 L81 D122E79-K124 HydrophobicContact CB-CB 4.47Å; E79-K124 HydrophobicContact CB-CD 4.31Å; E79-K124 HydrophobicContact CG-CD 4.33Å; E79-K124 WeakPolarHBondContact OE1-CD 3.3Å; E79-K124 VanDerWaalsContact OE1-CE 3.23Å; E79-K124 WeakPolarHBondContact OE1-CE 3.49Å; E79-K124 IonicContact OE1-NZ 3.98Å; E79-K124 PolarHBondContact OE1-NZ 2.86Å; L81-K124 HydrophobicContact CD2-CB 4.31Å; D122-K124 WeakPolarHBondContact OD1-CG 3.36Å; D122-K124 PolarHBondContact OD1-N 2.88Å; D122-K124 WeakPolarHBondContact OD2-CE 3.43Å; D122-K124 WeakPolarHBondContact OD2-CG 3.47Å; D122-K124 IonicContact OD2-NZ 2.66Å
125V88.9Confident77.9Confident5 Ų582 Ų823%0.0343%0.426CS..EExtended strand (participates in β ladder)trans-107.6114.4177.1174.20000108.4F69 V80 F114 Q117 D118 E129F69-V125 WeakPolarHBondContact CE2-O 3.48Å; V80-V125 HydrophobicContact CB-CB 4.26Å; V80-V125 WeakPolarHBondContact CB-O 3.4Å; V80-V125 PolarHBondContact N-O 3.46Å; V80-V125 PolarHBondContact O-N 3.4Å; F114-V125 HydrophobicContact CD2-CG2 3.98Å; F114-V125 HydrophobicContact CE2-CB 4.36Å; F114-V125 HydrophobicContact CE2-CG2 3.65Å; F114-V125 HydrophobicContact CZ-CG2 3.94Å; Q117-V125 HydrophobicContact CB-CG1 4.37Å; Q117-V125 HydrophobicContact CB-CG2 3.97Å; Q117-V125 HydrophobicContact CG-CG1 3.58Å; Q117-V125 HydrophobicContact CG-CG2 4.1Å; D118-V125 HydrophobicContact CB-CG2 4.11Å; V125-E129 HydrophobicContact CG1-CB 4.4Å
126T89.6Confident75.6Confident27 Ų2783.2 Ų83.217%0.16643%0.426CS..EExtended strand (participates in β ladder)trans-89.2162178.158.40000112.1F69 E79 E128 E129 F130F69-T126 VanDerWaalsContact CE2-C 3.43Å; E79-T126 HydrophobicContact CG-CG2 4.42Å; T126-E128 PolarHBondContact O-N 3.14Å; T126-E128 VanDerWaalsContact O-N 3.14Å; T126-E129 PolarHBondContact N-OE2 2.95Å; T126-E129 PolarHBondContact O-N 2.8Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-E129 WeakPolarHBondContact OG1-CG 3.38Å; T126-E129 PolarHBondContact OG1-OE2 3.1Å; T126-F130 PolarHBondContact O-N 2.92Å
127A84.8Confident73.6Confident38 Ų3882 Ų8231%0.31443%0.433SS..Hα-helixtrans-58.9-26.9176.900000112.9F69 K131F69-A127 HydrophobicContact CD1-CB 4.1Å; F69-A127 HydrophobicContact CD2-CB 4.37Å; F69-A127 HydrophobicContact CE1-CB 3.89Å; F69-A127 HydrophobicContact CE2-CB 4.17Å; F69-A127 VanDerWaalsContact CE2-N 3.29Å; F69-A127 HydrophobicContact CG-CB 4.35Å; F69-A127 HydrophobicContact CZ-CB 3.93Å; F69-A127 VanDerWaalsContact CZ-N 3.27Å; A127-K131 WeakPolarHBondContact O-CG 3.22Å; A127-K131 PolarHBondContact O-N 3.21Å
128E82.1Confident71.5Confident153 Ų15389.8 Ų89.872%0.71547%0.466SS*.Hα-helixtrans-69.4-46.7175.5-60.2-169.69100111T126 F130 K131 L132T126-E128 PolarHBondContact O-N 3.14Å; T126-E128 VanDerWaalsContact O-N 3.14Å; E128-F130 VanDerWaalsContact C-N 3.28Å; E128-F130 PolarHBondContact O-N 2.78Å; E128-K131 PolarHBondContact O-N 2.84Å; E128-L132 WeakPolarHBondContact O-CD1 3.23Å; E128-L132 VanDerWaalsContact O-CG 3.25Å; E128-L132 WeakPolarHBondContact O-CG 3.14Å; E128-L132 PolarHBondContact O-N 2.91Å
129E83.9Confident69Low14 Ų1497 Ų977%0.06550%0.499CS..Hα-helixtrans-63.8-34.2175.5-69.2174.6113.300112.5Q117 R119 N120 V125 T126Q117-E129 PolarHBondContact NE2-O 2.93Å; R119-E129 PolarHBondContact N-OE1 3.28Å; N120-E129 PolarHBondContact N-OE1 3.04Å; V125-E129 HydrophobicContact CG1-CB 4.4Å; T126-E129 PolarHBondContact N-OE2 2.95Å; T126-E129 PolarHBondContact O-N 2.8Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-E129 WeakPolarHBondContact OG1-CG 3.38Å; T126-E129 PolarHBondContact OG1-OE2 3.1Å
130F78.7Confident67Low71 Ų7194.9 Ų94.931%0.31150%0.5SS..Hα-helixtrans-64.7-39.8174.9-158.7-91.2000112.5L68 F69 T126 E128L68-F130 HydrophobicContact CD2-CE2 4.18Å; L68-F130 HydrophobicContact CD2-CZ 3.57Å; L68-F130 HydrophobicContact CG-CZ 4.23Å; F69-F130 HydrophobicContact CD2-CB 3.99Å; F69-F130 HydrophobicContact CD2-CD2 4.34Å; F69-F130 HydrophobicContact CD2-CG 4.14Å; T126-F130 PolarHBondContact O-N 2.92Å; E128-F130 VanDerWaalsContact C-N 3.28Å; E128-F130 PolarHBondContact O-N 2.78Å
131K70.5Confident64.7Low159 Ų159100.4 Ų100.469%0.69152%0.523SS*.Hα-helixtrans-82.3-24.3-177.8-74.2177.8-179.5174.90114.5A127 E128 K133 D134A127-K131 WeakPolarHBondContact O-CG 3.22Å; A127-K131 PolarHBondContact O-N 3.21Å; E128-K131 PolarHBondContact O-N 2.84Å; K131-K133 PolarHBondContact O-N 2.95Å; K131-D134 PolarHBondContact O-N 3.3Å
132L58.8Low63Low66 Ų66107.9 Ų107.935%0.34655%0.548SS..G310 helixtrans-60.7-18.1-174-86.5158.9000114.5E128 D134 Q135E128-L132 WeakPolarHBondContact O-CD1 3.23Å; E128-L132 VanDerWaalsContact O-CG 3.25Å; E128-L132 WeakPolarHBondContact O-CG 3.14Å; E128-L132 PolarHBondContact O-N 2.91Å; L132-D134 PolarHBondContact O-N 3.12Å; L132-D134 VanDerWaalsContact O-N 3.16Å; L132-Q135 PolarHBondContact O-N 3.26Å
133K52.3Low61.8Low153 Ų153109.6 Ų109.667%0.66556%0.555SS**G310 helixtrans-60.7-21.3174.7-89.5-177.4173.81540114.6K131K131-K133 PolarHBondContact O-N 2.95Å
134D46Very low60.5Low147 Ų147113.4 Ų113.479%0.78656%0.564SS**G310 helixtrans-88.1-23-180-155.2-105.6000113.2K131 L132K131-D134 PolarHBondContact O-N 3.3Å; L132-D134 PolarHBondContact O-N 3.12Å; L132-D134 VanDerWaalsContact O-N 3.16Å
135Q38.6Very low58.8Low153 Ų153116.3 Ų116.372%0.71558%0.581SS**THydrogen-bonded Turntrans-97.5-17.2-174.3-69.7-157.7-61.200114.9L132 A137 K138L132-Q135 PolarHBondContact O-N 3.26Å; Q135-A137 VanDerWaalsContact C-N 3.26Å; Q135-A137 PolarHBondContact O-N 3.49Å; Q135-K138 PolarHBondContact O-N 3.15Å
136E40.4Very low57.1Low108 Ų108122.8 Ų122.851%0.50561%0.613SS.*THydrogen-bonded Turntrans-87.213.9-176.9-136.8166.28900114.7R119R119-E136 VanDerWaalsContact CZ-CD 3.47Å; R119-E136 IonicContact CZ-OE1 2.75Å; R119-E136 IonicContact CZ-OE2 2.68Å; R119-E136 IonicContact NE-OE2 3.18Å; R119-E136 VanDerWaalsContact NH1-CD 3.29Å; R119-E136 IonicContact NH1-OE1 3.26Å; R119-E136 PolarHBondContact NH1-OE1 2.85Å; R119-E136 IonicContact NH1-OE2 3.81Å; R119-E136 PolarHBondContact NH1-OE2 3.1Å; R119-E136 IonicContact NH2-OE1 3.13Å; R119-E136 PolarHBondContact NH2-OE1 2.9Å; R119-E136 IonicContact NH2-OE2 3.59Å; R119-E136 PolarHBondContact NH2-OE2 3.24Å
137A43.3Very low55Low95 Ų95128.8 Ų128.879%0.78564%0.641SS**THydrogen-bonded Turntrans-933.416300000113Q135Q135-A137 VanDerWaalsContact C-N 3.26Å; Q135-A137 PolarHBondContact O-N 3.49Å
138K38.8Very low53Low191 Ų191134.9 Ų134.983%0.8366%0.663SS**  trans-132.769174.1-80.2-176.5177.5170.70111.1Q135Q135-K138 PolarHBondContact O-N 3.15Å
139H36.3Very low51Low168 Ų168133.6 Ų133.678%0.77866%0.659SS**SBendtrans-134.4105.3158.6-149.596.4000110.3
140D39.6Very low48.4Very low118 Ų118142.8 Ų142.863%0.63171%0.705SS**  trans65.891.2149.9-121-113.5000118.9
141E37.5Very low45.9Very low210 Ų210148.8 Ų148.898%0.98174%0.737SS**  trans-116.398.1138.3-66.7-169.610000106.8
142L49Very low43.7Very low217 Ų217147.8 Ų147.8100%1.13674%0.742SS**  trans-98.40168.4-154.6149.9000109.5

Retrieved 142 of 142 residues in 43.9 ms (Link to these results)

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