I0FTS7_MACMU Loading...

GATA zinc finger domain-containing protein 1

AlphaFold DB , UniProt , Accession I0FTS7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene GATAD1, Length 271 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
1M41.7Very low67.7Low228 Ų228108 Ų108100%1.12362%0.618SS**  0125.80-56.8-158.1-138.400107.8L3M1-L3 PolarHBondContact O-N 3.43Å; M1-L3 VanDerWaalsContact O-N 3.15Å
2P42.8Very low69.4Low134 Ų134103.8 Ų103.887%0.8760%0.598SS**  trans-72.3114.2-175.129.6-29.4000108.4G4P2-G4 PolarHBondContact O-N 2.77Å
3L44.2Very low70.9Confident163 Ų163106.6 Ų106.685%0.85360%0.6SS**PPolyproline II helixtrans-56121.3175.3-63.3165.8000108.1M1M1-L3 PolarHBondContact O-N 3.43Å; M1-L3 VanDerWaalsContact O-N 3.15Å
4G54.4Low72Confident67 Ų67103.2 Ų103.269%0.69158%0.583SS**PPolyproline II helixtrans-50.8143.617500000111P2 K6P2-G4 PolarHBondContact O-N 2.77Å; G4-K6 PolarHBondContact O-N 3.06Å
5L62.9Low73Confident177 Ų177101.4 Ų101.493%0.92758%0.575SS**PPolyproline II helixtrans-51.1125-178.3-70.4162.7000110.3
6K70.6Confident73.5Confident160 Ų160101.3 Ų101.370%0.69658%0.582SS**PPolyproline II helixtrans-60.9131.4-179.7-71.2174.1178.1168.60109.7G4 T8G4-K6 PolarHBondContact O-N 3.06Å; K6-T8 PolarHBondContact O-N 3.33Å; K6-T8 PolarHBondContact O-OG1 3.09Å
7P76.9Confident73.9Confident54 Ų5496.8 Ų96.835%0.35156%0.558SS.*PPolyproline II helixtrans-59140.3175.924.2-32.5000110T15 W20 I28P7-T15 WeakPolarHBondContact O-CA 2.94Å; P7-W20 HydrophobicContact CB-CD2 4.09Å; P7-W20 HydrophobicContact CB-CE3 4.28Å; P7-W20 HydrophobicContact CB-CH2 4.26Å; P7-W20 HydrophobicContact CB-CZ2 4.13Å; P7-W20 HydrophobicContact CB-CZ3 4.35Å; P7-W20 HydrophobicContact CG-CD2 4.11Å; P7-W20 HydrophobicContact CG-CG 4.48Å; P7-W20 HydrophobicContact CG-CH2 4.39Å; P7-W20 HydrophobicContact CG-CZ2 3.79Å; P7-W20 WeakPolarHBondContact O-CH2 3.39Å; P7-W20 WeakPolarHBondContact O-CZ2 3.46Å; P7-I28 HydrophobicContact CB-CG2 4.34Å
8T86.6Confident74.3Confident66 Ų6697.7 Ų97.741%0.40557%0.571SS.*  trans-124.2128.9-178.2-56.30000108.9K6 S10 K13 T15K6-T8 PolarHBondContact O-N 3.33Å; K6-T8 PolarHBondContact O-OG1 3.09Å; T8-S10 PolarHBondContact O-N 2.9Å; T8-K13 HydrophobicContact CG2-CB 4.37Å; T8-K13 HydrophobicContact CG2-CD 4.39Å; T8-K13 WeakPolarHBondContact CG2-O 3.3Å; T8-T15 HydrophobicContact CG2-CG2 4.24Å
9C88.8Confident74.5Confident0 Ų097.4 Ų97.40%057%0.565CS.*  trans-64.9128.5179.8-177.10000110V11 C12 K13 T14 W20 I28 C30C9-V11 PolarHBondContact O-N 3.39Å; C9-C12 VanDerWaalsContact CB-SG 3.52Å; C9-C12 PolarHBondContact SG-N 3.07Å; C9-C12 PolarHBondContact SG-SG 3.19Å; C9-K13 WeakPolarHBondContact O-CA 3.29Å; C9-K13 WeakPolarHBondContact O-CD 3.46Å; C9-K13 PolarHBondContact O-N 3.43Å; C9-T14 PolarHBondContact N-O 3.34Å; C9-W20 HydrophobicContact CB-CZ3 3.96Å; C9-I28 CarbonylContact C-O 3.47Å; C9-I28 VanDerWaalsContact CA-O 3.3Å; C9-I28 WeakPolarHBondContact CA-O 3.5Å; C9-C30 HydrophobicContact CB-CB 4.06Å; C9-C30 PolarHBondContact SG-N 3.33Å
10S87.8Confident75.1Confident41 Ų4195.8 Ų95.829%0.28755%0.549SS..THydrogen-bonded Turntrans-61.3-34.4178.549.30000112T8 K13 I28 L29T8-S10 PolarHBondContact O-N 2.9Å; S10-K13 PolarHBondContact O-NZ 2.93Å; S10-I28 PolarHBondContact N-O 3.12Å; S10-I28 PolarHBondContact OG-O 3.01Å; S10-L29 VanDerWaalsContact OG-CD2 3.25Å; S10-L29 WeakPolarHBondContact OG-CD2 3.5Å
11V87.7Confident75.3Confident98 Ų9897.2 Ų97.259%0.59455%0.549SS*.THydrogen-bonded Turntrans-85.5-60.1-176.81770000112.6C9 L29 C33C9-V11 PolarHBondContact O-N 3.39Å; V11-L29 HydrophobicContact CB-CD2 4.25Å; V11-L29 HydrophobicContact CG2-CD2 3.41Å; V11-L29 VanDerWaalsContact CG2-CD2 3.41Å; V11-C33 HydrophobicContact CB-CB 4.12Å; V11-C33 HydrophobicContact CG1-CB 4.39Å; V11-C33 HydrophobicContact CG2-CB 4.46Å
12C88.5Confident77.3Confident57 Ų5792 Ų9239%0.38552%0.52SS..THydrogen-bonded Turntrans-98.6-0.3-173.567.80000114.6C9 T14 C30 C33C9-C12 VanDerWaalsContact CB-SG 3.52Å; C9-C12 PolarHBondContact SG-N 3.07Å; C9-C12 PolarHBondContact SG-SG 3.19Å; C12-T14 PolarHBondContact O-N 3.25Å; C12-T14 VanDerWaalsContact SG-CB 3.51Å; C12-T14 PolarHBondContact SG-OG1 3.08Å; C12-C30 PolarHBondContact SG-SG 3.35Å; C12-C33 VanDerWaalsContact SG-SG 3.67Å
13K89.1Confident78.9Confident141 Ų14186.5 Ų86.561%0.61349%0.488SS*.  trans55.48.7-177-53-55.5-174.2-159.40115.7T8 C9 S10T8-K13 HydrophobicContact CG2-CB 4.37Å; T8-K13 HydrophobicContact CG2-CD 4.39Å; T8-K13 WeakPolarHBondContact CG2-O 3.3Å; C9-K13 WeakPolarHBondContact O-CA 3.29Å; C9-K13 WeakPolarHBondContact O-CD 3.46Å; C9-K13 PolarHBondContact O-N 3.43Å; S10-K13 PolarHBondContact O-NZ 2.93Å
14T85.9Confident80.2Confident59 Ų5985.8 Ų85.836%0.36249%0.49SS..  trans-60.1139.9172.1-61.40000109.9C9 C12 S16 W20C9-T14 PolarHBondContact N-O 3.34Å; C12-T14 PolarHBondContact O-N 3.25Å; C12-T14 VanDerWaalsContact SG-CB 3.51Å; C12-T14 PolarHBondContact SG-OG1 3.08Å; T14-S16 VanDerWaalsContact CG2-N 3.35Å; T14-S16 WeakPolarHBondContact CG2-O 3.35Å; T14-W20 VanDerWaalsContact O-CH2 3.25Å; T14-W20 WeakPolarHBondContact O-CH2 3.16Å
15T86.6Confident81.2Confident76 Ų7691.2 Ų91.247%0.46650%0.498SS..SBendtrans-107.55.1173.960.20000113P7 T8P7-T15 WeakPolarHBondContact O-CA 2.94Å; T8-T15 HydrophobicContact CG2-CG2 4.24Å
16S81.6Confident81.7Confident99 Ų9984.4 Ų84.469%0.69247%0.471SS*.  trans-126.2109.3-178.2-175.70000109.8T14T14-S16 VanDerWaalsContact CG2-N 3.35Å; T14-S16 WeakPolarHBondContact CG2-O 3.35Å
17S80.1Confident82.4Confident25 Ų2580.7 Ų80.718%0.17546%0.455CS..  trans-146.3139.1176.4-171.10000108.4M19 W20 H31S17-M19 WeakPolarHBondContact CB-O 3.25Å; S17-M19 PolarHBondContact O-N 3.15Å; S17-M19 PolarHBondContact OG-N 3.25Å; S17-M19 PolarHBondContact OG-O 3.06Å; S17-W20 PolarHBondContact O-NE1 3.44Å; S17-H31 PolarHBondContact OG-N 2.92Å; S17-H31 VanDerWaalsContact OG-N 3.1Å
18S80.8Confident82.7Confident114 Ų11481.1 Ų81.180%0.79745%0.454SS*.SBendtrans-65.7-20.917352.20000112.4
19M79Confident82.9Confident91 Ų9178.8 Ų78.845%0.44844%0.439SS..  trans-150.8142.4179.8-169.1177.3-71.600110.8S17 H31 Y250S17-M19 WeakPolarHBondContact CB-O 3.25Å; S17-M19 PolarHBondContact O-N 3.15Å; S17-M19 PolarHBondContact OG-N 3.25Å; S17-M19 PolarHBondContact OG-O 3.06Å; M19-H31 HydrophobicContact CB-CB 4.16Å; M19-H31 PolarHBondContact O-N 3.48Å; M19-H31 VanDerWaalsContact O-N 3.09Å; M19-Y250 HydrophobicContact SD-CE1 4.48Å
20W85.3Confident82.9Confident66 Ų6679 Ų7925%0.2544%0.441CS..EExtended strand (participates in β ladder)trans-123.2142178.9-62.992.5000109.7P7 C9 T14 S17 I28 L29 C30P7-W20 HydrophobicContact CB-CD2 4.09Å; P7-W20 HydrophobicContact CB-CE3 4.28Å; P7-W20 HydrophobicContact CB-CH2 4.26Å; P7-W20 HydrophobicContact CB-CZ2 4.13Å; P7-W20 HydrophobicContact CB-CZ3 4.35Å; P7-W20 HydrophobicContact CG-CD2 4.11Å; P7-W20 HydrophobicContact CG-CG 4.48Å; P7-W20 HydrophobicContact CG-CH2 4.39Å; P7-W20 HydrophobicContact CG-CZ2 3.79Å; P7-W20 WeakPolarHBondContact O-CH2 3.39Å; P7-W20 WeakPolarHBondContact O-CZ2 3.46Å; C9-W20 HydrophobicContact CB-CZ3 3.96Å; T14-W20 VanDerWaalsContact O-CH2 3.25Å; T14-W20 WeakPolarHBondContact O-CH2 3.16Å; S17-W20 PolarHBondContact O-NE1 3.44Å; W20-I28 HydrophobicContact CD2-CG2 4.38Å; W20-I28 HydrophobicContact CE3-CG2 3.53Å; W20-I28 HydrophobicContact CZ3-CG2 4Å; W20-L29 WeakPolarHBondContact CA-O 3.33Å; W20-C30 HydrophobicContact CE3-CB 4.44Å; W20-C30 HydrophobicContact CZ3-CB 4.23Å
21K81.2Confident82.8Confident125 Ų12581.5 Ų81.554%0.54345%0.448SS..EExtended strand (participates in β ladder)trans-130139.6177.9-168.3179.8179.4-1790110.4L29 T34K21-L29 PolarHBondContact N-O 2.81Å; K21-L29 PolarHBondContact O-N 3.08Å; K21-T34 HydrophobicContact CB-CG2 4.32Å; K21-T34 HydrophobicContact CD-CG2 3.38Å; K21-T34 HydrophobicContact CG-CG2 4.49Å
22K82.2Confident82.5Confident119 Ų11984 Ų8452%0.51745%0.452SS..EExtended strand (participates in β ladder)trans-86.9122.4170.7-162.2169.7-178.3178.30109.3E27K22-E27 CarbonylContact C-O 3.45Å; K22-E27 VanDerWaalsContact CA-O 3.29Å; K22-E27 WeakPolarHBondContact CA-O 3.42Å
23G76.3Confident82.3Confident18 Ų1881.9 Ų81.919%0.18644%0.438CS..  trans-70.4171.3174.400000111.9Q25 G26 E27G23-Q25 PolarHBondContact O-N 3.16Å; G23-G26 PolarHBondContact O-N 2.76Å; G23-E27 PolarHBondContact N-O 3.28Å
24T72.3Confident81.9Confident148 Ų14877.3 Ų77.391%0.90842%0.422SS*.THydrogen-bonded Turntrans-62.8-24.8-17850.40000113
25Q74.6Confident81Confident181 Ų18178 Ų7885%0.84644%0.441SS*.THydrogen-bonded Turntrans-97.812.4175.9-58.9-154.8-1300113.7G23 E27G23-Q25 PolarHBondContact O-N 3.16Å; Q25-E27 VanDerWaalsContact C-N 3.35Å
26G74.3Confident80.1Confident35 Ų3584.8 Ų84.836%0.36146%0.458SS..SBendtrans83.85.1177.700000115.6G23G23-G26 PolarHBondContact O-N 2.76Å
27E84.3Confident78.7Confident81 Ų8183.7 Ų83.738%0.37946%0.462SS..  trans-67.7144.1174.662.7-169.9159.100112.7K22 G23 Q25 L29K22-E27 CarbonylContact C-O 3.45Å; K22-E27 VanDerWaalsContact CA-O 3.29Å; K22-E27 WeakPolarHBondContact CA-O 3.42Å; G23-E27 PolarHBondContact N-O 3.28Å; Q25-E27 VanDerWaalsContact C-N 3.35Å; E27-L29 HydrophobicContact CG-CD1 4.38Å; E27-L29 HydrophobicContact CG-CG 4.23Å
28I85.2Confident77.1Confident63 Ų6386 Ų8632%0.32349%0.491SS..EExtended strand (participates in β ladder)trans-95.6117.1178.2-61.4175.1000108.8P7 C9 S10 W20P7-I28 HydrophobicContact CB-CG2 4.34Å; C9-I28 CarbonylContact C-O 3.47Å; C9-I28 VanDerWaalsContact CA-O 3.3Å; C9-I28 WeakPolarHBondContact CA-O 3.5Å; S10-I28 PolarHBondContact N-O 3.12Å; S10-I28 PolarHBondContact OG-O 3.01Å; W20-I28 HydrophobicContact CD2-CG2 4.38Å; W20-I28 HydrophobicContact CE3-CG2 3.53Å; W20-I28 HydrophobicContact CZ3-CG2 4Å
29L89.1Confident75.1Confident18 Ų1885.2 Ų85.29%0.09449%0.491CS..EExtended strand (participates in β ladder)trans-112.4140.7-179.6-61.8172.6000110.9S10 V11 W20 K21 E27 C33S10-L29 VanDerWaalsContact OG-CD2 3.25Å; S10-L29 WeakPolarHBondContact OG-CD2 3.5Å; V11-L29 HydrophobicContact CB-CD2 4.25Å; V11-L29 HydrophobicContact CG2-CD2 3.41Å; V11-L29 VanDerWaalsContact CG2-CD2 3.41Å; W20-L29 WeakPolarHBondContact CA-O 3.33Å; K21-L29 PolarHBondContact N-O 2.81Å; K21-L29 PolarHBondContact O-N 3.08Å; E27-L29 HydrophobicContact CG-CD1 4.38Å; E27-L29 HydrophobicContact CG-CG 4.23Å; L29-C33 HydrophobicContact CB-CB 4.43Å; L29-C33 HydrophobicContact CD2-CB 4.2Å
30C89.1Confident73.4Confident4 Ų484.1 Ų84.13%0.02750%0.502CS..EExtended strand (participates in β ladder)trans-73.4168.9168.673.10000111C9 C12 W20 H32 C33 T34C9-C30 HydrophobicContact CB-CB 4.06Å; C9-C30 PolarHBondContact SG-N 3.33Å; C12-C30 PolarHBondContact SG-SG 3.35Å; W20-C30 HydrophobicContact CE3-CB 4.44Å; W20-C30 HydrophobicContact CZ3-CB 4.23Å; C30-H32 VanDerWaalsContact C-N 3.25Å; C30-H32 PolarHBondContact O-N 2.88Å; C30-C33 PolarHBondContact O-N 2.96Å; C30-C33 PolarHBondContact SG-N 3.31Å; C30-C33 VanDerWaalsContact SG-N 3.39Å; C30-C33 PolarHBondContact SG-SG 3.28Å; C30-T34 PolarHBondContact O-N 2.89Å; C30-T34 PolarHBondContact O-OG1 3.49Å
31H85.3Confident71.3Confident94 Ų9487.3 Ų87.344%0.43554%0.535SS..Hα-helixtrans-56.1-40-179.7-171.467.7000112.5S17 M19 T34S17-H31 PolarHBondContact OG-N 2.92Å; S17-H31 VanDerWaalsContact OG-N 3.1Å; M19-H31 HydrophobicContact CB-CB 4.16Å; M19-H31 PolarHBondContact O-N 3.48Å; M19-H31 VanDerWaalsContact O-N 3.09Å; H31-T34 WeakPolarHBondContact O-CB 3.29Å
32H82.2Confident69Low149 Ų14984.8 Ų84.869%0.6954%0.544SS*.Hα-helixtrans-72.5-35.1-179.4-67.984.6000113.3C30C30-H32 VanDerWaalsContact C-N 3.25Å; C30-H32 PolarHBondContact O-N 2.88Å
33C84.5Confident66.8Low14 Ų1483.1 Ų83.110%0.09556%0.561CS.*Hα-helixtrans-79.7-23.3178.9-68.70000112.5V11 C12 L29 C30 G35 R36V11-C33 HydrophobicContact CB-CB 4.12Å; V11-C33 HydrophobicContact CG1-CB 4.39Å; V11-C33 HydrophobicContact CG2-CB 4.46Å; C12-C33 VanDerWaalsContact SG-SG 3.67Å; L29-C33 HydrophobicContact CB-CB 4.43Å; L29-C33 HydrophobicContact CD2-CB 4.2Å; C30-C33 PolarHBondContact O-N 2.96Å; C30-C33 PolarHBondContact SG-N 3.31Å; C30-C33 VanDerWaalsContact SG-N 3.39Å; C30-C33 PolarHBondContact SG-SG 3.28Å; C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 PolarHBondContact O-N 3.5Å; C33-R36 PolarHBondContact O-N 3.49Å
34T80.9Confident64.8Low44 Ų4487.3 Ų87.327%0.2759%0.594SS.*Hα-helixtrans-58.9-35.9177.7-64.60000112.6K21 C30 H31K21-T34 HydrophobicContact CB-CG2 4.32Å; K21-T34 HydrophobicContact CD-CG2 3.38Å; K21-T34 HydrophobicContact CG-CG2 4.49Å; C30-T34 PolarHBondContact O-N 2.89Å; C30-T34 PolarHBondContact O-OG1 3.49Å; H31-T34 WeakPolarHBondContact O-CB 3.29Å
35G67.4Low62.9Low74 Ų7483.6 Ų83.676%0.76359%0.585SS**THydrogen-bonded Turntrans-84.2-5.5-179.200000115.3C33C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 PolarHBondContact O-N 3.5Å
36R66.7Low61.1Low219 Ų21981.4 Ų81.483%0.82659%0.59SS**THydrogen-bonded Turntrans-101.7-1.3-176.8-71.5-174.9169.8-150.5-1.4114C33 G38C33-R36 PolarHBondContact O-N 3.49Å; R36-G38 PolarHBondContact O-N 3.39Å
37G51.4Low59Low75 Ų7583.6 Ų83.677%0.77361%0.612SS**  trans-74.288.3-175.100000113.1
38G48Very low56.6Low75 Ų7584.7 Ų84.777%0.77364%0.635SS**SBendtrans171.326.8171.200000117.9R36R36-G38 PolarHBondContact O-N 3.39Å
39A38.7Very low54.1Low97 Ų9786.4 Ų86.480%0.80266%0.658SS**  trans-155122.8163.300000109.6
40G41.9Very low51.4Low67 Ų6789.6 Ų89.669%0.69170%0.696SS**  trans-76.9173.3178.900000113.8
41S41.9Very low48.6Very low133 Ų13393.3 Ų93.393%0.9374%0.735SS**  trans70.1141.5178.577.30000114.5
42G33.3Very low46.4Very low72 Ų7296 Ų9674%0.74276%0.758SS**  cis-178.11608.100000105.9
43G36.3Very low43.9Very low84 Ų8492.8 Ų92.887%0.86677%0.765SS**  trans-69.4164.5-164.100000117.5
44A33Very low41.3Very low106 Ų10695.8 Ų95.888%0.87680%0.799SS**  trans151.6115.4151.800000105.2
45G32.1Very low39.1Very low70 Ų7099.3 Ų99.372%0.72283%0.825SS**  102.490.555.200000108.2
46S37.1Very low37.6Very low136 Ų136101.9 Ų101.995%0.95183%0.832SS**  trans36.4127.8146.6-43.10000121
47G29.9Very low36Very low80 Ų8095.1 Ų95.183%0.82583%0.83SS**  trans-178.4111.3158.900000113
48A34.8Very low35.1Very low104 Ų10495.7 Ų95.786%0.8684%0.836SS**  trans-83178.8-177.700000113.6
49A32.4Very low34.2Very low99 Ų9996 Ų9682%0.81884%0.839SS**  trans98.8103.9156.300000118.1
50G32.2Very low33.8Very low85 Ų8594.9 Ų94.988%0.87684%0.837SS**  54.7123.5108.400000119.6
51G31.3Very low33.3Very low82 Ų8295.3 Ų95.385%0.84584%0.841SS**  trans178.496.8163.400000113
52T37.7Very low32.9Very low151 Ų15198.2 Ų98.293%0.92684%0.837SS**  trans-67.7145161.944.50000111.4
53G30.2Very low32.9Very low81 Ų8198.7 Ų98.784%0.83584%0.842SS**  trans164.5118.4166.500000112.4
54G30.5Very low32.7Very low78 Ų7899.2 Ų99.280%0.80484%0.838SS**  trans-101.3-168.3-171.600000115.9
55S35.3Very low32.7Very low117 Ų11799.2 Ų99.282%0.81884%0.838SS**  trans103.5116.6159.4-67.80000119.8
56S35.1Very low32.7Very low129 Ų129101.2 Ų101.290%0.90284%0.837SS**  88.6137.1126.572.10000121.3
57G33.2Very low32.5Very low77 Ų77103.4 Ų103.479%0.79483%0.829SS**  trans129.392.7172.100000109.9
58G32.4Very low32.7Very low87 Ų87103.6 Ų103.690%0.89782%0.823SS**  70.8114.967.800000108.6
59G29.1Very low32.6Very low81 Ų81104.6 Ų104.684%0.83582%0.823SS**  cis125.6118.62900000107.6
60G29.3Very low32.7Very low74 Ų74106.6 Ų106.676%0.76383%0.826SS**  trans91.1141158.600000118
61G31.7Very low32.8Very low75 Ų75108 Ų10877%0.77382%0.823SS**  trans157.641.5164.400000118.3G63G61-G63 PolarHBondContact O-N 3.45Å
62F33.3Very low33Very low195 Ų195109.1 Ų109.186%0.85582%0.823SS**  trans-68.211516824.1-89.1000110.1
63G33.4Very low33Very low81 Ų81108.2 Ų108.284%0.83582%0.818SS**  trans-103.493.4173.500000111.1G61G61-G63 PolarHBondContact O-N 3.45Å
64A32.8Very low33.7Very low96 Ų96109.9 Ų109.979%0.79381%0.814SS**  trans-76.2122.8166.100000109.6
65A33.9Very low34.3Very low106 Ų106111.4 Ų111.488%0.87681%0.81SS**  trans-109.1103.916500000108.3
66T32.2Very low34.3Very low112 Ų112114.5 Ų114.569%0.68781%0.811SS**  trans-82.1128.4179.722.90000112.4
67F32.9Very low34.2Very low182 Ų182114 Ų11480%0.79881%0.807SS**  trans30.6137.1149.573.4-93.7000122
68A32.6Very low34.3Very low83 Ų83118.3 Ų118.369%0.68681%0.813SS**  -177110.5106.600000111.2
69S33.8Very low34.2Very low125 Ų125117.8 Ų117.887%0.87481%0.807SS**  trans-87.9126.4160.6-62.70000108.1
70T34.5Very low34.2Very low141 Ų141118.1 Ų118.187%0.86581%0.811SS**  trans-116.6110.8170.352.60000109.9
71S34.7Very low34.2Very low116 Ų116118.5 Ų118.581%0.81181%0.814SS**  trans-132.4115162.3550000108
72A34.9Very low34.1Very low104 Ų104119.2 Ų119.286%0.8682%0.822SS**  trans-168141.9152.600000110.9
73T38.3Very low34Very low133 Ų133113.6 Ų113.682%0.81682%0.819SS**  trans-76.3168.3-174.632.10000115.1
74P43.6Very low34.1Very low115 Ų115118.9 Ų118.975%0.74782%0.819SS**  trans-75.5178.2-178.537.4-38.8000111.6
75P43.1Very low34.1Very low111 Ų111122.6 Ų122.672%0.72182%0.82SS**  cis-151.8-172.534.938.6-13000118.5
76Q35Very low34.1Very low181 Ų181123 Ų12385%0.84682%0.816SS**  trans96.192.1139.2-139165.3-3.300119
77S34.4Very low34.4Very low118 Ų118126.5 Ų126.583%0.82582%0.822SS**  trans-89137.1158.857.20000110.6
78N34.2Very low34.7Very low169 Ų169126.7 Ų126.790%0.90483%0.825SS**  trans-134.1135.1169.6-153.237.4000110.3
79G30Very low35Very low75 Ų75130.8 Ų130.877%0.77383%0.83SS**  trans120.7102.8148.200000118.5
80G29.6Very low35.4Very low89 Ų89131.5 Ų131.592%0.91882%0.823SS**  trans101128.115100000114.9
81G29.1Very low35.6Very low81 Ų81132 Ų13284%0.83582%0.815SS**  cis161.7137.93.300000107.9
82G29.3Very low36.4Very low90 Ų90137 Ų13793%0.92882%0.816SS**  trans99.2118.7159.200000117.7
83G32.1Very low37Very low78 Ų78143.3 Ų143.380%0.80482%0.818SS**  trans152.679.7159.400000117.8
84K34.3Very low37.4Very low191 Ų191142.5 Ų142.583%0.8382%0.818SS**  trans27.9126146.5-63.5-178.8179.2179.70122.2
85Q33Very low37.4Very low175 Ų175142 Ų14282%0.81882%0.823SS**  79.2121.9130-72176.4-4000122.6
86S34.1Very low37.9Very low114 Ų114147.9 Ų147.980%0.79783%0.831SS**  trans95.9110135.575.90000120.9
87K38.1Very low38.6Very low186 Ų186146 Ų14681%0.80983%0.826SS**  46.2105.3122.4-157.4-166.8-177.8-175.80117.5
88Q39.8Very low39.2Very low185 Ų185151 Ų15186%0.86483%0.827SS**  -177.9142.8111.5-100.6176.2-27.800113.3
89E39.7Very low39.5Very low169 Ų169149.7 Ų149.779%0.7982%0.82SS**  trans-80.6-176.5-177.8-169.8-165.1153.100111.5
90I41.8Very low40.1Very low141 Ų141152.6 Ų152.672%0.72382%0.823SS**  trans90132.9153.6-59164.4000114.1
91H39Very low40.9Very low150 Ų150155.7 Ų155.769%0.69481%0.811SS**  cis179.8145-0.5169.851.8000108.4
92R51.4Low41.4Very low221 Ų221160.7 Ų160.783%0.83481%0.806SS**  trans-43.5134.8163.9-69.6171.5171.3167.9-3.3111.5
93R46.8Very low42Very low237 Ų237166.6 Ų166.689%0.89481%0.806SS**  trans-130.592.1153.2-75.2-172.8-179.5175.21.3110
94S46.7Very low42.6Very low117 Ų117168.3 Ų168.382%0.81881%0.806SS**  trans-76.5125.8155.842.40000109.1
95A44.6Very low43.2Very low104 Ų104163.8 Ų163.886%0.8680%0.803SS**  trans-118.9103.9163.900000108.8
96R53Low43.9Very low235 Ų235161.4 Ų161.489%0.88780%0.803SS**  trans-84.3169.3157-89.1-175.7172.4-165.4-0.9108.7
97L50Low44.7Very low142 Ų142161 Ų16174%0.74381%0.807SS**  trans109.4134.8166.3-56.3152.9000111.5
98R46.7Very low45.1Very low223 Ų223156 Ų15684%0.84280%0.8SS**  cis-162.6156.4-3.9-116.8173.4-165162.98.4107.3
99N39.7Very low45.8Very low141 Ų141156.4 Ų156.475%0.75480%0.802SS**  trans-73.4135.6175-178.725000111.6
100T43.4Very low46.3Very low136 Ų136157.5 Ų157.583%0.83480%0.804SS**  trans-127.7122.1161.452.80000109.2
101K46.7Very low46.4Very low153 Ų153160.4 Ų160.467%0.66581%0.812SS**  trans-90.8148.7-172.2-148.1177.8178.9-173.40110.7
102Y40.3Very low46.6Very low187 Ų187159.7 Ų159.773%0.73382%0.818SS**  trans76.2112.1162.2-67.5-73.8000120.2
103K40Very low46.4Very low214 Ų214154.2 Ų154.293%0.9381%0.813SS**  -167.6146.2109.1-100.3171.1-178.9-177.70110.9
104S46.5Very low46.8Very low114 Ų114149.3 Ų149.380%0.79781%0.81SS**  trans-99.5154.8-165.341.10000114.3
105A46.6Very low46.6Very low95 Ų95152.4 Ų152.479%0.78581%0.808SS**  trans85.5155.6157.300000119.5
106P46.2Very low47.2Very low125 Ų125151.5 Ų151.581%0.81281%0.809SS**  cis-125.2178-29.829.9-9.6000113.1A108P106-A108 PolarHBondContact O-N 3.34Å
107A50.9Low47.3Very low106 Ų106148.3 Ų148.388%0.87680%0.801SS**  trans-64.5117.6-17800000112.8
108A48.3Very low47.8Very low80 Ų80144.3 Ų144.366%0.66180%0.795SS**  trans-101.4114.4164.300000108.8P106 K110P106-A108 PolarHBondContact O-N 3.34Å; A108-K110 PolarHBondContact O-N 3.19Å; A108-K110 VanDerWaalsContact O-N 3.08Å
109E53.8Low48.5Very low195 Ų195144.5 Ų144.591%0.91180%0.795SS**  trans-53108.5171.1-65.3179.5156.400110
110K49.3Very low49.4Very low191 Ų191148.8 Ų148.883%0.8380%0.801SS**  trans-93.7108.6172.3-70.4-167.2-179.3-176.50109.5A108 V112A108-K110 PolarHBondContact O-N 3.19Å; A108-K110 VanDerWaalsContact O-N 3.08Å; K110-V112 PolarHBondContact O-N 3.21Å
111K43.9Very low49.9Very low203 Ų203146.7 Ų146.788%0.88378%0.781SS**  trans-37.6130.6164.3-62.7-173.7177.4-164.90111.1S113K111-S113 PolarHBondContact O-N 3.31Å
112V44.6Very low50.5Low135 Ų135145.1 Ų145.182%0.81878%0.779SS**  trans-66.695175173.10000108.7K110 T114K110-V112 PolarHBondContact O-N 3.21Å; V112-T114 HydrophobicContact CG1-CG2 4.48Å; V112-T114 PolarHBondContact O-N 2.97Å
113S46Very low51.3Low105 Ų105145.4 Ų145.473%0.73478%0.784SS**  trans-76.1112.4164.9179.70000108.4K111 K115K111-S113 PolarHBondContact O-N 3.31Å; S113-K115 PolarHBondContact O-N 3.39Å
114T54.7Low52.2Low135 Ų135142.6 Ų142.683%0.82877%0.772SS**  trans-72.762.7173.545.30000110.8V112V112-T114 HydrophobicContact CG1-CG2 4.48Å; V112-T114 PolarHBondContact O-N 2.97Å
115K43.7Very low53Low182 Ų182142.3 Ų142.379%0.79176%0.761SS**  trans-89.2107.8166.3-161.3160.4-174.7171.10108.4S113 K117S113-K115 PolarHBondContact O-N 3.39Å; K115-K117 PolarHBondContact O-N 3.32Å
116G56.4Low54Low84 Ų84147.3 Ų147.387%0.86677%0.765SS**  trans-36.1105.8-172.100000114.4
117K55.1Low55.2Low169 Ų169147.1 Ų147.174%0.73576%0.757SS**  trans-91.9117.5168.3-79.5171.5177.3173.50107.4K115K115-K117 PolarHBondContact O-N 3.32Å
118G61.1Low56.2Low58 Ų58148.3 Ų148.360%0.59876%0.756SS**  trans-54158.5-177.200000113.7R120 H121G118-R120 PolarHBondContact O-N 3.09Å; G118-H121 PolarHBondContact O-N 3.46Å; G118-H121 VanDerWaalsContact O-N 3.09Å
119R60.9Low57.5Low227 Ų227151.1 Ų151.186%0.85776%0.758SS**G310 helixtrans-49.8-14.9-175-67.1-177.3-171.8179.82.2115.6H121R119-H121 PolarHBondContact O-N 2.6Å
120R59Low58.8Low230 Ų230151 Ų15187%0.86876%0.755SS**G310 helixtrans-74.6-2.5176.2-69.1-170.9-98.4-145.1-2.4114.8G118G118-R120 PolarHBondContact O-N 3.09Å
121H53.8Low60.1Low92 Ų92145.8 Ų145.843%0.42675%0.747SS.*G310 helixtrans-87.5-6174.1-163.2-87.1000114G118 R119 F123 K124G118-H121 PolarHBondContact O-N 3.46Å; G118-H121 VanDerWaalsContact O-N 3.09Å; R119-H121 PolarHBondContact O-N 2.6Å; H121-F123 VanDerWaalsContact C-N 3.26Å; H121-F123 PolarHBondContact O-N 3.1Å; H121-K124 PolarHBondContact O-N 2.82Å
122I58.6Low61.8Low121 Ų121142 Ų14262%0.62174%0.744SS**G310 helixtrans-65.8-33178.7-62.1170.4000110.7
123F57Low63.4Low192 Ų192144 Ų14484%0.84274%0.744SS**G310 helixtrans-90.67.8179.8-59.9-72.3000114.9H121H121-F123 VanDerWaalsContact C-N 3.26Å; H121-F123 PolarHBondContact O-N 3.1Å
124K60.3Low64.6Low155 Ų155144.1 Ų144.167%0.67474%0.744SS**G310 helixtrans-120.921.2-177.5-63.6-166.7-179-177.60113.9H121 K126H121-K124 PolarHBondContact O-N 2.82Å; K124-K126 PolarHBondContact O-N 3.01Å
125L63.6Low65.4Low108 Ų108143.2 Ų143.257%0.56574%0.739SS**  trans-64.5115.7162.9-83.8150.8000107.6N127 I129L125-N127 PolarHBondContact O-N 2.7Å; L125-N127 VanDerWaalsContact O-N 3.07Å; L125-I129 HydrophobicContact CD1-CD1 4.4Å
126K67.4Low66.6Low200 Ų200138.5 Ų138.587%0.8773%0.729SS**SBendtrans-65.5-6.6-175.2-79.5-173.4173.4-175.30114.2K124K124-K126 PolarHBondContact O-N 3.01Å
127N71.4Confident67.6Low122 Ų122138.8 Ų138.865%0.65271%0.714SS**SBendtrans-129.6120.4175-68.664000106.8L125 I129L125-N127 PolarHBondContact O-N 2.7Å; L125-N127 VanDerWaalsContact O-N 3.07Å; N127-I129 PolarHBondContact O-N 2.9Å; N127-I129 VanDerWaalsContact O-N 3.08Å
128P71.5Confident68.9Low130 Ų130136.3 Ų136.384%0.84471%0.707SS**PPolyproline II helixtrans-51.5118.2163.2-20.731.5000107.5K130P128-K130 PolarHBondContact O-N 2.81Å
129I75.5Confident70.2Confident139 Ų139138.2 Ų138.271%0.71370%0.703SS**PPolyproline II helixtrans-75.1119.5171.4-58.8172.3000104.6L125 N127 A131L125-I129 HydrophobicContact CD1-CD1 4.4Å; N127-I129 PolarHBondContact O-N 2.9Å; N127-I129 VanDerWaalsContact O-N 3.08Å; I129-A131 PolarHBondContact O-N 3.22Å
130K80Confident71.7Confident194 Ų194132.5 Ų132.584%0.84369%0.693SS**PPolyproline II helixtrans-57.6128.5173.5-154.1175.4-173.6-173.60106.5P128P128-K130 PolarHBondContact O-N 2.81Å
131A77.3Confident73.1Confident80 Ų80123.6 Ų123.666%0.66167%0.669SS**PPolyproline II helixtrans-52.4141.7173.900000108.3I129 E133I129-A131 PolarHBondContact O-N 3.22Å; A131-E133 PolarHBondContact O-N 3.32Å
132P79.9Confident74.7Confident125 Ų125124.5 Ų124.581%0.81267%0.673SS**PPolyproline II helixtrans-48.5134.5171.6-24.333000109.1S134P132-S134 PolarHBondContact O-N 3.05Å
133E77.2Confident76.2Confident177 Ų177120.3 Ų120.383%0.82766%0.655SS**PPolyproline II helixtrans-57.6131171.8-168.2168.3-176.500107.8A131 V135A131-E133 PolarHBondContact O-N 3.32Å; E133-V135 PolarHBondContact O-N 2.93Å
134S71.6Confident77.9Confident106 Ų106112 Ų11274%0.74162%0.618SS**  trans-62.1104.5-17853.30000108.7P132 S136P132-S134 PolarHBondContact O-N 3.05Å; S134-S136 PolarHBondContact O-N 3.01Å
135V71.5Confident79.4Confident116 Ų116110.8 Ų110.870%0.70361%0.614SS**  trans-82115.4173.8-177.50000107.5E133 T137E133-V135 PolarHBondContact O-N 2.93Å; V135-T137 PolarHBondContact O-N 3.3Å; V135-T137 PolarHBondContact O-OG1 2.93Å
136S70.3Confident80.7Confident84 Ų84108 Ų10859%0.58760%0.596SS**  trans-61.5110.2170.749.90000108.7S134 Q179S134-S136 PolarHBondContact O-N 3.01Å; S136-Q179 VanDerWaalsContact CA-OE1 3.3Å; S136-Q179 VanDerWaalsContact CB-OE1 3.3Å
137T76.1Confident81.8Confident90 Ų90106 Ų10655%0.55259%0.587SS**PPolyproline II helixtrans-101.4117.3178.8-53.20000108.4V135V135-T137 PolarHBondContact O-N 3.3Å; V135-T137 PolarHBondContact O-OG1 2.93Å
138I82.8Confident82.6Confident117 Ų117102.9 Ų102.960%0.658%0.584SS**PPolyproline II helixtrans-86.1124.1173.3-59.6179.1000107.5I176I138-I176 HydrophobicContact CG2-CG2 3.42Å; I138-I176 VanDerWaalsContact CG2-CG2 3.42Å
139I89.1Confident83.5Confident98 Ų9899 Ų9950%0.50356%0.558SS.*EExtended strand (participates in β ladder)trans-102.8120.7176.6-57.3176.5000108.4I176 Q177I139-I176 CarbonylContact O-C 3.58Å; I139-I176 WeakPolarHBondContact O-CA 3.45Å; I139-Q177 HydrophobicContact CB-CB 4.39Å; I139-Q177 PolarHBondContact N-O 3.15Å; I139-Q177 PolarHBondContact O-N 2.78Å
140T92.3Very high84.3Confident107 Ų10797.5 Ų97.566%0.65654%0.544SS*.EExtended strand (participates in β ladder)trans-96.3148172.955.10000111F175 I176T140-F175 VanDerWaalsContact CA-O 3.31Å; T140-F175 WeakPolarHBondContact CA-O 3.26Å; T140-I176 HydrophobicContact CG2-CG1 4.18Å
141A87.4Confident85Confident42 Ų4288.7 Ų88.735%0.34751%0.506SS..EExtended strand (participates in β ladder)trans-144.9156.1178.300000112.2I144 F175A141-I144 HydrophobicContact CB-CG2 4.27Å; A141-F175 HydrophobicContact CB-CB 4.48Å; A141-F175 PolarHBondContact N-O 3.23Å; A141-F175 VanDerWaalsContact N-O 3.13Å; A141-F175 WeakPolarHBondContact O-CD2 3.17Å; A141-F175 PolarHBondContact O-N 2.98Å
142E87.4Confident85.8Confident112 Ų11286.7 Ų86.752%0.52348%0.483SS..SBendtrans-85.4-14.2173.9-65.5176.6-166.400113.1I153 R245E142-I153 HydrophobicContact CB-CD1 4.06Å; E142-I153 HydrophobicContact CG-CD1 4.1Å; E142-I153 WeakPolarHBondContact O-CG1 3.37Å; E142-I153 PolarHBondContact O-N 3.45Å; E142-R245 IonicContact OE1-CZ 3.65Å; E142-R245 IonicContact OE1-NH1 3.25Å; E142-R245 PolarHBondContact OE1-NH1 2.9Å; E142-R245 IonicContact OE2-NH1 2.83Å; E142-R245 PolarHBondContact OE2-NH1 2.69Å
143S90.6Very high86.4Confident33 Ų3383.3 Ų83.323%0.23146%0.457CS..EExtended strand (participates in β ladder)trans-161.9149-178.8570000111.4Y150 Y151S143-Y150 WeakPolarHBondContact CB-OH 3.48Å; S143-Y150 PolarHBondContact OG-OH 2.93Å; S143-Y151 CarbonylContact C-O 3.49Å; S143-Y151 WeakPolarHBondContact CA-O 3.08Å; S143-Y151 VanDerWaalsContact CB-O 3.26Å; S143-Y151 WeakPolarHBondContact CB-O 2.95Å
144I93Very high87.2Confident16 Ų1674.9 Ų74.98%0.08242%0.418CS..EExtended strand (participates in β ladder)trans-142154.6179.163169.3000111.4A141 Y151 F175 K183 M218A141-I144 HydrophobicContact CB-CG2 4.27Å; I144-Y151 PolarHBondContact N-O 3.3Å; I144-Y151 PolarHBondContact O-N 3.32Å; I144-F175 HydrophobicContact CB-CG 4.45Å; I144-F175 HydrophobicContact CD1-CB 4.45Å; I144-F175 HydrophobicContact CD1-CD1 3.34Å; I144-F175 HydrophobicContact CD1-CE1 3.7Å; I144-F175 HydrophobicContact CD1-CG 3.99Å; I144-F175 HydrophobicContact CG1-CD1 3.56Å; I144-F175 HydrophobicContact CG1-CD2 4.34Å; I144-F175 HydrophobicContact CG1-CE1 3.64Å; I144-F175 HydrophobicContact CG1-CE2 4.43Å; I144-F175 HydrophobicContact CG1-CG 3.91Å; I144-F175 HydrophobicContact CG1-CZ 4.09Å; I144-F175 HydrophobicContact CG2-CB 3.75Å; I144-F175 HydrophobicContact CG2-CD1 4.27Å; I144-F175 HydrophobicContact CG2-CD2 4.16Å; I144-F175 HydrophobicContact CG2-CG 3.79Å; I144-K183 HydrophobicContact CD1-CB 4.26Å; I144-K183 HydrophobicContact CD1-CD 4.06Å; I144-M218 HydrophobicContact CD1-CE 3.86Å; I144-M218 HydrophobicContact CD1-CG 3.69Å; I144-M218 HydrophobicContact CD1-SD 3.66Å
145F91.3Very high88.3Confident130 Ų13070 Ų7057%0.5738%0.384SS*.EExtended strand (participates in β ladder)trans-101.6127.9168.2-176.5-107.3000109.7G148 V149 Y150F145-G148 VanDerWaalsContact CE2-C 3.46Å; F145-G148 VanDerWaalsContact CZ-CA 3.47Å; F145-V149 WeakPolarHBondContact CA-O 3.28Å; F145-V149 WeakPolarHBondContact CD2-O 3.36Å; F145-Y150 HydrophobicContact CB-CD2 4.17Å; F145-Y150 HydrophobicContact CD2-CD2 4.37Å
146Y91.6Very high89.4Confident50 Ų5064.5 Ų64.520%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-147.3131.3-178.5-173.6-104000110.8G148 V149 Y151 K183 M218 E219Y146-G148 PolarHBondContact O-N 3.04Å; Y146-V149 PolarHBondContact N-O 2.9Å; Y146-V149 PolarHBondContact O-N 3.47Å; Y146-V149 VanDerWaalsContact O-O 3.09Å; Y146-Y151 HydrophobicContact CD1-CE2 4.44Å; Y146-K183 HydrophobicContact CD2-CD 4.37Å; Y146-M218 HydrophobicContact CD1-CB 3.84Å; Y146-M218 HydrophobicContact CD1-CE 4.23Å; Y146-M218 HydrophobicContact CD2-CB 4.09Å; Y146-M218 HydrophobicContact CE1-CB 3.75Å; Y146-M218 VanDerWaalsContact CE1-O 3.29Å; Y146-M218 WeakPolarHBondContact CE1-O 3.29Å; Y146-M218 HydrophobicContact CE2-CB 4.01Å; Y146-M218 HydrophobicContact CG-CB 4.01Å; Y146-M218 HydrophobicContact CG-CE 4.43Å; Y146-E219 VanDerWaalsContact OH-CA 3.29Å; Y146-E219 WeakPolarHBondContact OH-CA 3.45Å; Y146-E219 WeakPolarHBondContact OH-CB 3.5Å; Y146-E219 PolarHBondContact OH-N 2.66Å
147K90.8Very high90.7Very high157 Ų15760.5 Ų60.568%0.68332%0.322SS*.THydrogen-bonded Turntrans45.438.8179-68.1-178.4178.7170.10115.2V149K147-V149 VanDerWaalsContact C-N 3.34Å
148G87.3Confident91.6Very high58 Ų5856.7 Ų56.760%0.59830%0.299SS*.THydrogen-bonded Turntrans87.6-3.8178.300000115.2F145 Y146F145-G148 VanDerWaalsContact CE2-C 3.46Å; F145-G148 VanDerWaalsContact CZ-CA 3.47Å; Y146-G148 PolarHBondContact O-N 3.04Å
149V90.7Very high92.2Very high48 Ų4851.3 Ų51.329%0.29127%0.272SS..EExtended strand (participates in β ladder)trans-113.2141.9179.6-178.20000110F145 Y146 K147 Y151 F223F145-V149 WeakPolarHBondContact CA-O 3.28Å; F145-V149 WeakPolarHBondContact CD2-O 3.36Å; Y146-V149 PolarHBondContact N-O 2.9Å; Y146-V149 PolarHBondContact O-N 3.47Å; Y146-V149 VanDerWaalsContact O-O 3.09Å; K147-V149 VanDerWaalsContact C-N 3.34Å; V149-Y151 HydrophobicContact CB-CD2 4.29Å; V149-Y151 HydrophobicContact CB-CE2 3.66Å; V149-Y151 HydrophobicContact CG1-CD2 4.15Å; V149-Y151 HydrophobicContact CG1-CE2 3.8Å; V149-F223 HydrophobicContact CG1-CB 4.09Å; V149-F223 HydrophobicContact CG1-CD1 4.46Å; V149-F223 HydrophobicContact CG1-CD2 4.01Å; V149-F223 HydrophobicContact CG1-CG 3.92Å
150Y92.6Very high92.5Very high107 Ų10750.7 Ų50.742%0.4227%0.269SS..EExtended strand (participates in β ladder)trans-98.8113174.4-166.2-93.8000109.3S143 F145 Q152S143-Y150 WeakPolarHBondContact CB-OH 3.48Å; S143-Y150 PolarHBondContact OG-OH 2.93Å; F145-Y150 HydrophobicContact CB-CD2 4.17Å; F145-Y150 HydrophobicContact CD2-CD2 4.37Å; Y150-Q152 HydrophobicContact CD1-CG 3.77Å; Y150-Q152 HydrophobicContact CE1-CG 3.7Å
151Y94.2Very high92.5Very high10 Ų1048.1 Ų48.14%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-97.4144180-63-101.1000110.4S143 I144 Y146 V149 D155 V157 I172 M218 F223S143-Y151 CarbonylContact C-O 3.49Å; S143-Y151 WeakPolarHBondContact CA-O 3.08Å; S143-Y151 VanDerWaalsContact CB-O 3.26Å; S143-Y151 WeakPolarHBondContact CB-O 2.95Å; I144-Y151 PolarHBondContact N-O 3.3Å; I144-Y151 PolarHBondContact O-N 3.32Å; Y146-Y151 HydrophobicContact CD1-CE2 4.44Å; V149-Y151 HydrophobicContact CB-CD2 4.29Å; V149-Y151 HydrophobicContact CB-CE2 3.66Å; V149-Y151 HydrophobicContact CG1-CD2 4.15Å; V149-Y151 HydrophobicContact CG1-CE2 3.8Å; Y151-D155 WeakPolarHBondContact CA-OD2 3.16Å; Y151-V157 HydrophobicContact CD1-CG1 4.28Å; Y151-V157 HydrophobicContact CE1-CG1 4.04Å; Y151-I172 HydrophobicContact CD1-CD1 3.94Å; Y151-M218 HydrophobicContact CD1-CE 3.88Å; Y151-M218 HydrophobicContact CD2-CE 3.74Å; Y151-M218 HydrophobicContact CE1-CE 3.91Å; Y151-M218 HydrophobicContact CE2-CE 3.8Å; Y151-M218 HydrophobicContact CG-CE 3.79Å; Y151-F223 HydrophobicContact CD1-CD2 4.18Å; Y151-F223 HydrophobicContact CE1-CB 3.81Å; Y151-F223 HydrophobicContact CE1-CD2 4.03Å; Y151-F223 HydrophobicContact CE1-CG 4.42Å
152Q94.1Very high92.7Very high37 Ų3753.8 Ų53.817%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-131157.5177.8-53.6-166.7-69.300110.6Y150 G154 D155Y150-Q152 HydrophobicContact CD1-CG 3.77Å; Y150-Q152 HydrophobicContact CE1-CG 3.7Å; Q152-G154 PolarHBondContact O-N 3.47Å; Q152-D155 PolarHBondContact N-OD2 2.81Å; Q152-D155 WeakPolarHBondContact O-CB 3.48Å; Q152-D155 PolarHBondContact O-N 3.18Å; Q152-D155 VanDerWaalsContact O-N 3.16Å
153I93.4Very high93Very high55 Ų5557.1 Ų57.128%0.28229%0.286SS..THydrogen-bonded Turntrans-58.3131.9169.4-68175.3000108.8E142 R173 F175E142-I153 HydrophobicContact CB-CD1 4.06Å; E142-I153 HydrophobicContact CG-CD1 4.1Å; E142-I153 WeakPolarHBondContact O-CG1 3.37Å; E142-I153 PolarHBondContact O-N 3.45Å; I153-R173 WeakPolarHBondContact CD1-O 3.3Å; I153-R173 WeakPolarHBondContact CG2-O 2.82Å; I153-F175 HydrophobicContact CG1-CD2 4.47Å; I153-F175 HydrophobicContact CG1-CE2 4.29Å
154G92.7Very high93Very high0 Ų058.5 Ų58.50%029%0.29CS..THydrogen-bonded Turntrans101.5-19.8-17700000114Q152 Q171 I172 A227Q152-G154 PolarHBondContact O-N 3.47Å; G154-Q171 WeakPolarHBondContact O-CG 3.46Å; G154-Q171 PolarHBondContact O-NE2 2.78Å; G154-I172 PolarHBondContact N-O 3.22Å; G154-A227 CarbonylContact C-O 3.52Å; G154-A227 VanDerWaalsContact CA-O 3.31Å; G154-A227 WeakPolarHBondContact CA-O 3.12Å; G154-A227 WeakPolarHBondContact O-CB 3.39Å
155D94.7Very high93Very high4 Ų460.1 Ų60.12%0.02131%0.311CS..  trans-59.3145177.7-72.6-11.8000111.5Y151 Q152 I172 F223 H226Y151-D155 WeakPolarHBondContact CA-OD2 3.16Å; Q152-D155 PolarHBondContact N-OD2 2.81Å; Q152-D155 WeakPolarHBondContact O-CB 3.48Å; Q152-D155 PolarHBondContact O-N 3.18Å; Q152-D155 VanDerWaalsContact O-N 3.16Å; D155-I172 HydrophobicContact CB-CD1 4.14Å; D155-I172 PolarHBondContact O-N 3.38Å; D155-F223 HydrophobicContact CB-CE2 4.45Å; D155-H226 VanDerWaalsContact CG-ND1 3.31Å; D155-H226 WeakPolarHBondContact OD1-CA 3.07Å; D155-H226 IonicContact OD1-CE1 3.94Å; D155-H226 IonicContact OD1-CG 3.62Å; D155-H226 IonicContact OD1-ND1 2.66Å; D155-H226 PolarHBondContact OD1-ND1 3.46Å; D155-H226 IonicContact OD2-CE1 3.75Å; D155-H226 IonicContact OD2-ND1 3.9Å; D155-H226 PolarHBondContact OD2-ND1 3.23Å
156V95.9Very high93Very high0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-94.6134.4174.9-177.30000109.6Y169 A170 L190 F201 V224 C225 A227 F232V156-Y169 HydrophobicContact CG1-CD1 4.47Å; V156-A170 WeakPolarHBondContact CA-O 3.42Å; V156-L190 HydrophobicContact CG1-CD1 4.01Å; V156-L190 HydrophobicContact CG2-CD1 4.31Å; V156-F201 HydrophobicContact CB-CE1 4.11Å; V156-F201 HydrophobicContact CB-CZ 4.4Å; V156-F201 HydrophobicContact CG1-CD1 4.29Å; V156-F201 HydrophobicContact CG1-CE1 3.63Å; V156-F201 HydrophobicContact CG1-CE2 4.22Å; V156-F201 HydrophobicContact CG1-CZ 3.61Å; V156-F201 HydrophobicContact CG2-CE1 4.07Å; V156-F201 HydrophobicContact CG2-CZ 4.2Å; V156-V224 HydrophobicContact CB-CB 4.5Å; V156-V224 HydrophobicContact CG1-CB 4.27Å; V156-V224 WeakPolarHBondContact O-CB 3.37Å; V156-V224 PolarHBondContact O-N 2.6Å; V156-C225 PolarHBondContact N-O 3.08Å; V156-C225 PolarHBondContact O-N 2.76Å; V156-A227 HydrophobicContact CG2-CB 4.06Å; V156-F232 HydrophobicContact CG2-CE2 4.13Å
157V96.4Very high93Very high0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-125.5154.4177.1-66.10000111.1Y151 Y169 A170 I172 L187 L221 E222Y151-V157 HydrophobicContact CD1-CG1 4.28Å; Y151-V157 HydrophobicContact CE1-CG1 4.04Å; V157-Y169 WeakPolarHBondContact O-CA 3.3Å; V157-A170 HydrophobicContact CG2-CB 4.36Å; V157-A170 PolarHBondContact N-O 2.86Å; V157-A170 PolarHBondContact O-N 2.89Å; V157-I172 HydrophobicContact CG1-CD1 3.57Å; V157-I172 HydrophobicContact CG1-CG1 4.1Å; V157-I172 HydrophobicContact CG2-CG1 4.18Å; V157-L187 HydrophobicContact CG2-CD2 4.02Å; V157-L221 HydrophobicContact CB-CB 4.26Å; V157-L221 HydrophobicContact CG1-CB 4.32Å; V157-L221 HydrophobicContact CG2-CB 4.46Å; V157-L221 HydrophobicContact CG2-CD1 4.45Å; V157-L221 HydrophobicContact CG2-CD2 4.25Å; V157-E222 CarbonylContact C-O 3.5Å; V157-E222 WeakPolarHBondContact CA-O 3.31Å; V157-E222 VanDerWaalsContact CB-O 3.31Å; V157-E222 WeakPolarHBondContact CB-O 3.46Å
158S95.8Very high93.2Very high9 Ų958 Ų586%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-101142.9167.149.90000110.2Y168 E222S158-Y168 CarbonylContact C-O 3.01Å; S158-Y168 VanDerWaalsContact CA-O 3.31Å; S158-Y168 WeakPolarHBondContact CA-O 3.15Å; S158-E222 PolarHBondContact N-O 2.96Å; S158-E222 PolarHBondContact O-N 2.83Å; S158-E222 WeakPolarHBondContact OG-CB 3.44Å
159V95.4Very high93.6Very high5 Ų556.9 Ų56.93%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-126.4124.9174.3-170.40000107Y168 L187 W189 L221V159-Y168 PolarHBondContact N-O 3.18Å; V159-Y168 PolarHBondContact O-N 2.99Å; V159-L187 HydrophobicContact CG2-CD1 4.23Å; V159-W189 HydrophobicContact CB-CH2 3.97Å; V159-W189 HydrophobicContact CB-CZ3 4.04Å; V159-W189 HydrophobicContact CG1-CH2 4.19Å; V159-W189 HydrophobicContact CG2-CH2 3.89Å; V159-W189 HydrophobicContact CG2-CZ3 3.93Å; V159-L221 HydrophobicContact CG2-CD2 3.51Å
160I95.1Very high93.9Very high85 Ų8554.6 Ų54.644%0.43627%0.271SS..EExtended strand (participates in β ladder)trans-83.2126.4174.4-54.6-55.1000108.3K166 P167I160-K166 WeakPolarHBondContact CA-O 3.25Å; I160-P167 HydrophobicContact CD1-CB 3.76Å
161D92.4Very high94Very high53 Ų5349.9 Ų49.928%0.28325%0.253SS..  trans-76.9142.1171.3174.448.1000110.8Q163 D164 G165 K166 Y168D161-Q163 VanDerWaalsContact C-N 3.34Å; D161-Q163 WeakPolarHBondContact OD2-CB 3.42Å; D161-Q163 PolarHBondContact OD2-N 2.77Å; D161-D164 WeakPolarHBondContact CB-OD1 3.29Å; D161-D164 PolarHBondContact OD2-N 2.9Å; D161-G165 WeakPolarHBondContact O-CA 3.37Å; D161-G165 PolarHBondContact O-N 3.02Å; D161-K166 PolarHBondContact N-O 3.25Å; D161-K166 VanDerWaalsContact N-O 3.09Å; D161-Y168 HydrophobicContact CB-CD2 3.8Å; D161-Y168 HydrophobicContact CB-CE2 3.53Å
162E91.7Very high94.1Very high160 Ų16049.5 Ų49.575%0.74825%0.252SS*.THydrogen-bonded Turntrans-75.4-24.9-176-68177.4-167.400112.2
163Q92.6Very high94.2Very high183 Ų18354 Ų5486%0.85527%0.267SS*.THydrogen-bonded Turntrans-84.3-44-175-54.5178.723.700111.8D161D161-Q163 VanDerWaalsContact C-N 3.34Å; D161-Q163 WeakPolarHBondContact OD2-CB 3.42Å; D161-Q163 PolarHBondContact OD2-N 2.77Å
164D92.3Very high94.2Very high61 Ų6152.2 Ų52.233%0.32626%0.262SS..THydrogen-bonded Turntrans-106.7-11.4-176.771.98000114.5D161 K166 Y168D161-D164 WeakPolarHBondContact CB-OD1 3.29Å; D161-D164 PolarHBondContact OD2-N 2.9Å; D164-K166 HydrophobicContact CB-CD 4.47Å; D164-K166 HydrophobicContact CB-CG 4.4Å; D164-K166 PolarHBondContact O-N 2.88Å; D164-K166 WeakPolarHBondContact OD1-CB 3.26Å; D164-K166 PolarHBondContact OD1-N 3.13Å; D164-Y168 PolarHBondContact OD2-OH 2.79Å
165G91.5Very high94.4Very high51 Ų5152.4 Ų52.453%0.52626%0.263SS..  trans67.415.5-17900000114D161D161-G165 WeakPolarHBondContact O-CA 3.37Å; D161-G165 PolarHBondContact O-N 3.02Å
166K91Very high94.4Very high125 Ų12554.4 Ų54.454%0.54327%0.273SS..  trans-96.8150.2-176-66.2179-174.9166.40111.8I160 D161 D164 Y168I160-K166 WeakPolarHBondContact CA-O 3.25Å; D161-K166 PolarHBondContact N-O 3.25Å; D161-K166 VanDerWaalsContact N-O 3.09Å; D164-K166 HydrophobicContact CB-CD 4.47Å; D164-K166 HydrophobicContact CB-CG 4.4Å; D164-K166 PolarHBondContact O-N 2.88Å; D164-K166 WeakPolarHBondContact OD1-CB 3.26Å; D164-K166 PolarHBondContact OD1-N 3.13Å; K166-Y168 HydrophobicContact CB-CE2 4.22Å; K166-Y168 WeakPolarHBondContact O-CD2 3.15Å
167P93.3Very high94.3Very high63 Ų6356.5 Ų56.541%0.40928%0.283SS..EExtended strand (participates in β ladder)trans-76.8127173.730.6-32.9000111.3I160I160-P167 HydrophobicContact CD1-CB 3.76Å
168Y94.3Very high94Very high105 Ų10558.8 Ų58.841%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-107.6141.1167.2-68.3-91.8000109S158 V159 D161 D164 K166S158-Y168 CarbonylContact C-O 3.01Å; S158-Y168 VanDerWaalsContact CA-O 3.31Å; S158-Y168 WeakPolarHBondContact CA-O 3.15Å; V159-Y168 PolarHBondContact N-O 3.18Å; V159-Y168 PolarHBondContact O-N 2.99Å; D161-Y168 HydrophobicContact CB-CD2 3.8Å; D161-Y168 HydrophobicContact CB-CE2 3.53Å; D164-Y168 PolarHBondContact OD2-OH 2.79Å; K166-Y168 HydrophobicContact CB-CE2 4.22Å; K166-Y168 WeakPolarHBondContact O-CD2 3.15Å
169Y95.7Very high93.6Very high33 Ų3362.7 Ų62.713%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-103144.3-176.6-61.7-82000110.6V156 V157 L190 F201 Y206 V224V156-Y169 HydrophobicContact CG1-CD1 4.47Å; V157-Y169 WeakPolarHBondContact O-CA 3.3Å; Y169-L190 WeakPolarHBondContact O-CB 3.31Å; Y169-L190 PolarHBondContact O-N 3.45Å; Y169-F201 HydrophobicContact CD1-CB 4.18Å; Y169-F201 AromaticContact CD1-CD2 3.53Å; Y169-F201 HydrophobicContact CD1-CD2 3.53Å; Y169-F201 HydrophobicContact CD1-CE2 4.11Å; Y169-F201 AromaticContact CD1-CG 3.9Å; Y169-F201 HydrophobicContact CD1-CG 3.9Å; Y169-F201 AromaticContact CD2-CD2 3.68Å; Y169-F201 HydrophobicContact CD2-CD2 3.68Å; Y169-F201 HydrophobicContact CD2-CE2 4.26Å; Y169-F201 HydrophobicContact CE1-CB 3.65Å; Y169-F201 AromaticContact CE1-CD2 3.87Å; Y169-F201 HydrophobicContact CE1-CD2 3.87Å; Y169-F201 AromaticContact CE1-CG 3.9Å; Y169-F201 HydrophobicContact CE1-CG 3.9Å; Y169-F201 HydrophobicContact CE2-CB 4.35Å; Y169-F201 AromaticContact CE2-CD2 3.99Å; Y169-F201 HydrophobicContact CE2-CD2 3.99Å; Y169-F201 AromaticContact CG-CD2 3.42Å; Y169-F201 HydrophobicContact CG-CD2 3.42Å; Y169-F201 VanDerWaalsContact CG-CD2 3.42Å; Y169-F201 AromaticContact CG-CE2 3.77Å; Y169-F201 HydrophobicContact CG-CE2 3.77Å; Y169-F201 HydrophobicContact CG-CG 4.25Å; Y169-Y206 AromaticContact CD2-CE1 3.74Å; Y169-Y206 HydrophobicContact CD2-CE1 3.74Å; Y169-Y206 AromaticContact CD2-CZ 3.72Å; Y169-Y206 WeakPolarHBondContact CD2-OH 3.43Å; Y169-Y206 WeakPolarHBondContact CE2-OH 3.49Å; Y169-Y206 HydrophobicContact CG-CE1 4.41Å; Y169-V224 HydrophobicContact CD1-CG2 3.95Å; Y169-V224 HydrophobicContact CE1-CG1 4.25Å; Y169-V224 HydrophobicContact CE1-CG2 3.82Å
170A96.8Very high93.3Very high0 Ų071 Ų710%034%0.344CS..EExtended strand (participates in β ladder)trans-145.2151.8177.100000110.9V156 V157 L187 T188 W189V156-A170 WeakPolarHBondContact CA-O 3.42Å; V157-A170 HydrophobicContact CG2-CB 4.36Å; V157-A170 PolarHBondContact N-O 2.86Å; V157-A170 PolarHBondContact O-N 2.89Å; A170-L187 HydrophobicContact CB-CB 4.06Å; A170-L187 HydrophobicContact CB-CD1 4.13Å; A170-L187 HydrophobicContact CB-CD2 4.33Å; A170-L187 HydrophobicContact CB-CG 4.4Å; A170-T188 CarbonylContact C-O 3.53Å; A170-T188 VanDerWaalsContact CA-O 3.29Å; A170-T188 WeakPolarHBondContact CA-O 3.38Å; A170-T188 WeakPolarHBondContact CB-O 3.31Å; A170-W189 HydrophobicContact CB-CD2 4.37Å; A170-W189 HydrophobicContact CB-CE3 3.81Å; A170-W189 HydrophobicContact CB-CZ3 4.11Å
171Q95.9Very high93Very high9 Ų971 Ų714%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-94.3135.8169.9-178169.25200110.3G154 L187 T188 P228G154-Q171 WeakPolarHBondContact O-CG 3.46Å; G154-Q171 PolarHBondContact O-NE2 2.78Å; Q171-L187 WeakPolarHBondContact O-CA 3.49Å; Q171-T188 PolarHBondContact N-O 2.85Å; Q171-T188 PolarHBondContact O-N 2.8Å; Q171-P228 PolarHBondContact NE2-O 3.01Å
172I96.3Very high93.1Very high1 Ų172 Ų721%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-75.7125.3174.4-65.6166.4000110.3Y151 G154 D155 V157 F175 A185 L187Y151-I172 HydrophobicContact CD1-CD1 3.94Å; G154-I172 PolarHBondContact N-O 3.22Å; D155-I172 HydrophobicContact CB-CD1 4.14Å; D155-I172 PolarHBondContact O-N 3.38Å; V157-I172 HydrophobicContact CG1-CD1 3.57Å; V157-I172 HydrophobicContact CG1-CG1 4.1Å; V157-I172 HydrophobicContact CG2-CG1 4.18Å; I172-F175 HydrophobicContact CB-CZ 4.49Å; I172-F175 HydrophobicContact CD1-CE1 3.93Å; I172-F175 HydrophobicContact CD1-CZ 3.98Å; I172-F175 HydrophobicContact CG2-CD1 4.34Å; I172-F175 HydrophobicContact CG2-CE1 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.05Å; I172-F175 HydrophobicContact CG2-CZ 3.55Å; I172-A185 HydrophobicContact CG1-CB 4.44Å; I172-A185 HydrophobicContact CG2-CB 4.28Å; I172-L187 HydrophobicContact CG1-CD2 3.98Å
173R94.5Very high93.3Very high133 Ų13366.9 Ų66.950%0.50233%0.33SS..EExtended strand (participates in β ladder)trans-94.4-28.5173.9-95.1177.851.3124-3.8114I153 A186 T188 E211I153-R173 WeakPolarHBondContact CD1-O 3.3Å; I153-R173 WeakPolarHBondContact CG2-O 2.82Å; R173-A186 HydrophobicContact CB-CB 4.45Å; R173-A186 PolarHBondContact N-O 3.09Å; R173-T188 WeakPolarHBondContact CD-OG1 3.39Å; R173-E211 IonicContact CZ-OE1 2.83Å; R173-E211 IonicContact CZ-OE2 3.06Å; R173-E211 VanDerWaalsContact NH1-CD 3.29Å; R173-E211 IonicContact NH1-OE1 2.68Å; R173-E211 PolarHBondContact NH1-OE1 3.09Å; R173-E211 IonicContact NH1-OE2 3.25Å; R173-E211 PolarHBondContact NH1-OE2 2.94Å; R173-E211 IonicContact NH2-OE2 3.93Å
174G94.5Very high93.4Very high17 Ų1759.1 Ų59.118%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-178159.6-173.800000111.7A185 A186G174-A185 CarbonylContact O-C 3.57Å; G174-A185 VanDerWaalsContact O-CA 3.3Å; G174-A185 WeakPolarHBondContact O-CA 3.48Å; G174-A186 PolarHBondContact O-N 3.24Å
175F95.8Very high93.7Very high4 Ų456.2 Ų56.22%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-112.7146.3176.1-57.3-76.8000110.8T140 A141 I144 I153 I172 S184 A185 M218T140-F175 VanDerWaalsContact CA-O 3.31Å; T140-F175 WeakPolarHBondContact CA-O 3.26Å; A141-F175 HydrophobicContact CB-CB 4.48Å; A141-F175 PolarHBondContact N-O 3.23Å; A141-F175 VanDerWaalsContact N-O 3.13Å; A141-F175 WeakPolarHBondContact O-CD2 3.17Å; A141-F175 PolarHBondContact O-N 2.98Å; I144-F175 HydrophobicContact CB-CG 4.45Å; I144-F175 HydrophobicContact CD1-CB 4.45Å; I144-F175 HydrophobicContact CD1-CD1 3.34Å; I144-F175 HydrophobicContact CD1-CE1 3.7Å; I144-F175 HydrophobicContact CD1-CG 3.99Å; I144-F175 HydrophobicContact CG1-CD1 3.56Å; I144-F175 HydrophobicContact CG1-CD2 4.34Å; I144-F175 HydrophobicContact CG1-CE1 3.64Å; I144-F175 HydrophobicContact CG1-CE2 4.43Å; I144-F175 HydrophobicContact CG1-CG 3.91Å; I144-F175 HydrophobicContact CG1-CZ 4.09Å; I144-F175 HydrophobicContact CG2-CB 3.75Å; I144-F175 HydrophobicContact CG2-CD1 4.27Å; I144-F175 HydrophobicContact CG2-CD2 4.16Å; I144-F175 HydrophobicContact CG2-CG 3.79Å; I153-F175 HydrophobicContact CG1-CD2 4.47Å; I153-F175 HydrophobicContact CG1-CE2 4.29Å; I172-F175 HydrophobicContact CB-CZ 4.49Å; I172-F175 HydrophobicContact CD1-CE1 3.93Å; I172-F175 HydrophobicContact CD1-CZ 3.98Å; I172-F175 HydrophobicContact CG2-CD1 4.34Å; I172-F175 HydrophobicContact CG2-CE1 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.05Å; I172-F175 HydrophobicContact CG2-CZ 3.55Å; F175-S184 WeakPolarHBondContact CA-O 3.31Å; F175-A185 HydrophobicContact CD1-CB 3.97Å; F175-A185 HydrophobicContact CE1-CB 4.17Å; F175-M218 HydrophobicContact CD1-SD 4.14Å; F175-M218 HydrophobicContact CE1-CE 4.47Å; F175-M218 HydrophobicContact CE1-SD 4.07Å
176I94.8Very high93.9Very high46 Ų4655 Ų5524%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-129.1136.6176.4-69.3166.2000108.1I138 I139 T140 K183 S184 P215I138-I176 HydrophobicContact CG2-CG2 3.42Å; I138-I176 VanDerWaalsContact CG2-CG2 3.42Å; I139-I176 CarbonylContact O-C 3.58Å; I139-I176 WeakPolarHBondContact O-CA 3.45Å; T140-I176 HydrophobicContact CG2-CG1 4.18Å; I176-K183 WeakPolarHBondContact O-CA 3.34Å; I176-S184 PolarHBondContact N-O 3.16Å; I176-S184 PolarHBondContact O-N 2.91Å; I176-S184 VanDerWaalsContact O-O 3.12Å; I176-S184 PolarHBondContact O-OG 3.34Å; I176-P215 HydrophobicContact CD1-CB 4.1Å; I176-P215 HydrophobicContact CD1-CG 3.42Å; I176-P215 VanDerWaalsContact CD1-CG 3.42Å
177Q93.8Very high94.1Very high44 Ų4449.2 Ų49.221%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-122.5129.5170.1-173.1168.15.600109.5I139 C181 E182 K183I139-Q177 HydrophobicContact CB-CB 4.39Å; I139-Q177 PolarHBondContact N-O 3.15Å; I139-Q177 PolarHBondContact O-N 2.78Å; Q177-C181 VanDerWaalsContact NE2-CA 3.25Å; Q177-C181 VanDerWaalsContact NE2-CB 3.26Å; Q177-C181 PolarHBondContact NE2-O 2.72Å; Q177-C181 VanDerWaalsContact NE2-O 3.16Å; Q177-E182 VanDerWaalsContact CA-O 3.28Å; Q177-E182 WeakPolarHBondContact CA-O 3.29Å; Q177-K183 VanDerWaalsContact CD-NZ 3.33Å; Q177-K183 HydrophobicContact CG-CG 4.33Å
178D90.9Very high94.3Very high47 Ų4746.6 Ų46.625%0.25122%0.223SC..  trans-85.9-177.8179.882.9-6.5000112.4Y180 C181 E182D178-Y180 PolarHBondContact O-N 3.22Å; D178-Y180 VanDerWaalsContact OD1-C 3.27Å; D178-Y180 VanDerWaalsContact OD1-CA 3.3Å; D178-Y180 WeakPolarHBondContact OD1-CA 3.48Å; D178-Y180 PolarHBondContact OD1-N 2.71Å; D178-C181 PolarHBondContact O-N 3.02Å; D178-C181 VanDerWaalsContact O-N 3.12Å; D178-C181 PolarHBondContact OD1-N 2.72Å; D178-E182 PolarHBondContact N-O 2.83Å; D178-E182 WeakPolarHBondContact OD1-CA 3.45Å; D178-E182 VanDerWaalsContact OD1-CB 3.3Å; D178-E182 WeakPolarHBondContact OD1-CB 3.2Å; D178-E182 PolarHBondContact OD1-N 3.21Å
179Q88.2Confident94.4Very high91 Ų9144.1 Ų44.143%0.42521%0.213SC..THydrogen-bonded Turntrans-67.2-20.1179.169.5-175.816.700114.3S136 C181S136-Q179 VanDerWaalsContact CA-OE1 3.3Å; S136-Q179 VanDerWaalsContact CB-OE1 3.3Å; Q179-C181 VanDerWaalsContact C-N 3.26Å
180Y89.2Confident94.4Very high179 Ų17943 Ų4370%0.70221%0.209SC*.THydrogen-bonded Turntrans-92.810.1176.5-57.4-66.7000112D178 E182D178-Y180 PolarHBondContact O-N 3.22Å; D178-Y180 VanDerWaalsContact OD1-C 3.27Å; D178-Y180 VanDerWaalsContact OD1-CA 3.3Å; D178-Y180 WeakPolarHBondContact OD1-CA 3.48Å; D178-Y180 PolarHBondContact OD1-N 2.71Å; Y180-E182 PolarHBondContact O-N 3.06Å
181C88.8Confident94.2Very high87 Ų8746.6 Ų46.659%0.58823%0.227SC*.  trans63.415.6-174.5-640000114.2Q177 D178 Q179Q177-C181 VanDerWaalsContact NE2-CA 3.25Å; Q177-C181 VanDerWaalsContact NE2-CB 3.26Å; Q177-C181 PolarHBondContact NE2-O 2.72Å; Q177-C181 VanDerWaalsContact NE2-O 3.16Å; D178-C181 PolarHBondContact O-N 3.02Å; D178-C181 VanDerWaalsContact O-N 3.12Å; D178-C181 PolarHBondContact OD1-N 2.72Å; Q179-C181 VanDerWaalsContact C-N 3.26Å
182E93.2Very high94.1Very high74 Ų7449.6 Ų49.635%0.34625%0.247SC..  trans-68.1133171.8-170.4172.1178.400109.5Q177 D178 Y180 K217Q177-E182 VanDerWaalsContact CA-O 3.28Å; Q177-E182 WeakPolarHBondContact CA-O 3.29Å; D178-E182 PolarHBondContact N-O 2.83Å; D178-E182 WeakPolarHBondContact OD1-CA 3.45Å; D178-E182 VanDerWaalsContact OD1-CB 3.3Å; D178-E182 WeakPolarHBondContact OD1-CB 3.2Å; D178-E182 PolarHBondContact OD1-N 3.21Å; Y180-E182 PolarHBondContact O-N 3.06Å; E182-K217 WeakPolarHBondContact OE1-CD 3.46Å; E182-K217 WeakPolarHBondContact OE1-CE 3.36Å; E182-K217 WeakPolarHBondContact OE1-CG 3.45Å; E182-K217 IonicContact OE1-NZ 2.67Å; E182-K217 PolarHBondContact OE1-NZ 3.33Å; E182-K217 IonicContact OE2-NZ 2.77Å
183K95.3Very high93.9Very high52 Ų5251.8 Ų51.823%0.22626%0.261CS..EExtended strand (participates in β ladder)trans-105.5130.2-176.2-61.1-177.6-175.6-66.80109.9I144 Y146 I176 Q177 M218I144-K183 HydrophobicContact CD1-CB 4.26Å; I144-K183 HydrophobicContact CD1-CD 4.06Å; Y146-K183 HydrophobicContact CD2-CD 4.37Å; I176-K183 WeakPolarHBondContact O-CA 3.34Å; Q177-K183 VanDerWaalsContact CD-NZ 3.33Å; Q177-K183 HydrophobicContact CG-CG 4.33Å; K183-M218 HydrophobicContact CB-CB 4.34Å; K183-M218 HydrophobicContact CB-CG 3.75Å; K183-M218 WeakPolarHBondContact O-CB 3.47Å; K183-M218 WeakPolarHBondContact O-CG 2.99Å; K183-M218 PolarHBondContact O-N 2.82Å
184S96.4Very high93.6Very high19 Ų1954.5 Ų54.513%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-130.7161173.8550000110.7F175 I176 P215 R216F175-S184 WeakPolarHBondContact CA-O 3.31Å; I176-S184 PolarHBondContact N-O 3.16Å; I176-S184 PolarHBondContact O-N 2.91Å; I176-S184 VanDerWaalsContact O-O 3.12Å; I176-S184 PolarHBondContact O-OG 3.34Å; S184-P215 WeakPolarHBondContact OG-CB 3.4Å; S184-R216 CarbonylContact C-O 3.5Å; S184-R216 WeakPolarHBondContact CA-O 3.36Å; S184-R216 VanDerWaalsContact CB-O 3.26Å; S184-R216 WeakPolarHBondContact CB-O 3.47Å
185A97.1Very high93.2Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-126.6139.9176.400000110.5I172 G174 F175 L187 P215 R216 M218 L221I172-A185 HydrophobicContact CG1-CB 4.44Å; I172-A185 HydrophobicContact CG2-CB 4.28Å; G174-A185 CarbonylContact O-C 3.57Å; G174-A185 VanDerWaalsContact O-CA 3.3Å; G174-A185 WeakPolarHBondContact O-CA 3.48Å; F175-A185 HydrophobicContact CD1-CB 3.97Å; F175-A185 HydrophobicContact CE1-CB 4.17Å; A185-L187 HydrophobicContact CB-CD2 4.21Å; A185-P215 CarbonylContact O-C 3.49Å; A185-P215 WeakPolarHBondContact O-CA 3.46Å; A185-R216 PolarHBondContact N-O 2.99Å; A185-R216 PolarHBondContact O-N 2.81Å; A185-M218 HydrophobicContact CB-SD 3.84Å; A185-L221 HydrophobicContact CB-CD1 3.72Å
186A96.1Very high92.8Very high26 Ų2658.8 Ų58.822%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-82.6135.9166.900000109R173 G174R173-A186 HydrophobicContact CB-CB 4.45Å; R173-A186 PolarHBondContact N-O 3.09Å; G174-A186 PolarHBondContact O-N 3.24Å
187L96.5Very high92.4Very high3 Ų359.1 Ų59.12%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-122.3149.3-169.4-59.7-178.1000112V157 V159 A170 Q171 I172 A185 W189 E212 R216 L221V157-L187 HydrophobicContact CG2-CD2 4.02Å; V159-L187 HydrophobicContact CG2-CD1 4.23Å; A170-L187 HydrophobicContact CB-CB 4.06Å; A170-L187 HydrophobicContact CB-CD1 4.13Å; A170-L187 HydrophobicContact CB-CD2 4.33Å; A170-L187 HydrophobicContact CB-CG 4.4Å; Q171-L187 WeakPolarHBondContact O-CA 3.49Å; I172-L187 HydrophobicContact CG1-CD2 3.98Å; A185-L187 HydrophobicContact CB-CD2 4.21Å; L187-W189 HydrophobicContact CD1-CH2 4.49Å; L187-E212 HydrophobicContact CB-CB 4.11Å; L187-E212 WeakPolarHBondContact O-CB 3.44Å; L187-E212 PolarHBondContact O-N 3.02Å; L187-R216 HydrophobicContact CD1-CB 3.87Å; L187-R216 HydrophobicContact CD1-CG 4.39Å; L187-R216 HydrophobicContact CG-CB 4.47Å; L187-L221 HydrophobicContact CD1-CD2 3.94Å; L187-L221 HydrophobicContact CD2-CD1 4.25Å
188T96.3Very high91.8Very high8 Ų868.7 Ų68.75%0.04935%0.352CS..EExtended strand (participates in β ladder)trans-116.2119.7161.4-61.70000107.6A170 Q171 R173 I208A170-T188 CarbonylContact C-O 3.53Å; A170-T188 VanDerWaalsContact CA-O 3.29Å; A170-T188 WeakPolarHBondContact CA-O 3.38Å; A170-T188 WeakPolarHBondContact CB-O 3.31Å; Q171-T188 PolarHBondContact N-O 2.85Å; Q171-T188 PolarHBondContact O-N 2.8Å; R173-T188 WeakPolarHBondContact CD-OG1 3.39Å; T188-I208 HydrophobicContact CG2-CG2 3.87Å
189W96.3Very high91.4Very high53 Ų5374.4 Ų74.420%0.20138%0.382CS..EExtended strand (participates in β ladder)trans-67.2147.5-177.5-66.8105.9000111.3V159 A170 L187 G209 P210 E212V159-W189 HydrophobicContact CB-CH2 3.97Å; V159-W189 HydrophobicContact CB-CZ3 4.04Å; V159-W189 HydrophobicContact CG1-CH2 4.19Å; V159-W189 HydrophobicContact CG2-CH2 3.89Å; V159-W189 HydrophobicContact CG2-CZ3 3.93Å; A170-W189 HydrophobicContact CB-CD2 4.37Å; A170-W189 HydrophobicContact CB-CE3 3.81Å; A170-W189 HydrophobicContact CB-CZ3 4.11Å; L187-W189 HydrophobicContact CD1-CH2 4.49Å; W189-G209 VanDerWaalsContact O-CA 3.23Å; W189-G209 WeakPolarHBondContact O-CA 3.48Å; W189-G209 PolarHBondContact O-N 3.07Å; W189-P210 HydrophobicContact CB-CG 4.48Å; W189-P210 PolarHBondContact N-O 2.92Å; W189-E212 PolarHBondContact NE1-OE2 2.88Å
190L95.2Very high91.3Very high10 Ų1076.9 Ų76.95%0.05239%0.394CS..EExtended strand (participates in β ladder)trans-109.9125.9174.7-61.2177.9000109.1V156 Y169 F201 Y206 I207 F232V156-L190 HydrophobicContact CG1-CD1 4.01Å; V156-L190 HydrophobicContact CG2-CD1 4.31Å; Y169-L190 WeakPolarHBondContact O-CB 3.31Å; Y169-L190 PolarHBondContact O-N 3.45Å; L190-F201 HydrophobicContact CD1-CE2 3.99Å; L190-F201 HydrophobicContact CD1-CZ 3.75Å; L190-Y206 HydrophobicContact CB-CD1 3.77Å; L190-Y206 HydrophobicContact CB-CG 4.39Å; L190-I207 WeakPolarHBondContact CA-O 3.3Å; L190-F232 HydrophobicContact CD1-CE1 4.33Å; L190-F232 HydrophobicContact CD1-CE2 3.79Å; L190-F232 HydrophobicContact CD1-CZ 3.64Å; L190-F232 HydrophobicContact CD2-CD1 4.01Å; L190-F232 HydrophobicContact CD2-CD2 3.87Å; L190-F232 HydrophobicContact CD2-CE1 3.98Å; L190-F232 HydrophobicContact CD2-CE2 3.85Å; L190-F232 HydrophobicContact CD2-CG 3.97Å; L190-F232 HydrophobicContact CD2-CZ 3.92Å; L190-F232 HydrophobicContact CG-CE2 4.5Å; L190-F232 HydrophobicContact CG-CZ 4.45Å
191I94Very high91.3Very high75 Ų7569.3 Ų69.339%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-97.7125.6-177.9-58.5173.6000108.7Y206 I207 G209I191-Y206 WeakPolarHBondContact O-CA 3.27Å; I191-I207 HydrophobicContact CB-CG1 3.95Å; I191-I207 PolarHBondContact N-O 3.09Å; I191-I207 PolarHBondContact O-N 3.11Å; I191-G209 VanDerWaalsContact CD1-CA 3.49Å
192P93.6Very high91.3Very high72 Ų7268.4 Ų68.447%0.46835%0.354SS..EExtended strand (participates in β ladder)trans-67.3142.5174.828.1-33.5000110.5S196 Y206P192-S196 WeakPolarHBondContact CA-OG 3.33Å; P192-S196 WeakPolarHBondContact CB-OG 3.4Å; P192-Y206 HydrophobicContact CB-CD1 4.22Å; P192-Y206 HydrophobicContact CB-CE1 3.71Å; P192-Y206 HydrophobicContact CG-CE1 4.32Å
193T91.1Very high91Very high48 Ų4866.5 Ų66.529%0.29435%0.348SS..  trans-95.9178.717167.60000110.9S195 S196 S205 I207T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.17Å; T193-S195 PolarHBondContact OG1-OG 2.87Å; T193-S196 PolarHBondContact N-OG 2.88Å; T193-S196 VanDerWaalsContact N-OG 3.08Å; T193-S196 WeakPolarHBondContact O-CB 3.36Å; T193-S196 PolarHBondContact O-N 3.3Å; T193-S196 PolarHBondContact O-OG 2.77Å; T193-S205 VanDerWaalsContact CB-O 3.28Å; T193-S205 WeakPolarHBondContact CB-O 3.22Å; T193-S205 VanDerWaalsContact CG2-O 3.22Å; T193-S205 WeakPolarHBondContact CG2-O 3.39Å; T193-S205 PolarHBondContact N-O 2.99Å; T193-S205 VanDerWaalsContact N-O 3.07Å; T193-S205 PolarHBondContact OG1-O 3.2Å; T193-I207 HydrophobicContact CG2-CG1 4.34Å; T193-I207 HydrophobicContact CG2-CG2 3.77Å
194L88.7Confident90.6Very high190 Ų19067.7 Ų67.7100%0.99537%0.367SS*.THydrogen-bonded Turntrans-61-22177.3-62.8176.8000113.4
195S85.8Confident90.2Very high90 Ų9067 Ų6763%0.62936%0.362SS*.THydrogen-bonded Turntrans-89.6-2.7176.6550000113.5T193 P197T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.17Å; T193-S195 PolarHBondContact OG1-OG 2.87Å; S195-P197 WeakPolarHBondContact O-CD 3.1Å
196S87.4Confident90Very high21 Ų2168.1 Ų68.115%0.14737%0.367CS..  trans-67.9125.7-178.5-71.30000112P192 T193 S205 Y206P192-S196 WeakPolarHBondContact CA-OG 3.33Å; P192-S196 WeakPolarHBondContact CB-OG 3.4Å; T193-S196 PolarHBondContact N-OG 2.88Å; T193-S196 VanDerWaalsContact N-OG 3.08Å; T193-S196 WeakPolarHBondContact O-CB 3.36Å; T193-S196 PolarHBondContact O-N 3.3Å; T193-S196 PolarHBondContact O-OG 2.77Å; S196-S205 VanDerWaalsContact CA-OG 3.32Å; S196-S205 WeakPolarHBondContact CA-OG 3.48Å; S196-S205 WeakPolarHBondContact CB-OG 3.43Å; S196-S205 WeakPolarHBondContact OG-CB 3.35Å; S196-S205 PolarHBondContact OG-O 2.91Å; S196-S205 PolarHBondContact OG-OG 3.11Å; S196-Y206 WeakPolarHBondContact OG-CE2 3.31Å
197P86.8Confident89.8Confident53 Ų5371.3 Ų71.334%0.34438%0.379SS..  trans-64.3144.6170.620.7-22.4000110.3S195 Q200 D202S195-P197 WeakPolarHBondContact O-CD 3.1Å; P197-Q200 WeakPolarHBondContact CG-O 3.38Å; P197-D202 HydrophobicContact CG-CB 4.17Å
198R80.4Confident89.6Confident244 Ų24474.9 Ų74.992%0.92140%0.398SS*.SBendtrans-79.5-28-178.5-66-174.4-176.8-179.21.3113.4
199D83.8Confident89.5Confident167 Ų16775.1 Ų75.189%0.89340%0.401SS*.SBendtrans-99.8-10-170.3-58.8-28.2000113
200Q84.5Confident89.4Confident143 Ų14376.6 Ų76.667%0.66842%0.418SS*.SBendtrans-143.3150-176-172.5173.11700111.1P197P197-Q200 WeakPolarHBondContact CG-O 3.38Å
201F89.8Confident89.4Confident20 Ų2081.3 Ų81.39%0.08844%0.44CS..  trans-82.1121.7168.2-176.5-110000111.4V156 Y169 L190 P203 Y206 V224 F232V156-F201 HydrophobicContact CB-CE1 4.11Å; V156-F201 HydrophobicContact CB-CZ 4.4Å; V156-F201 HydrophobicContact CG1-CD1 4.29Å; V156-F201 HydrophobicContact CG1-CE1 3.63Å; V156-F201 HydrophobicContact CG1-CE2 4.22Å; V156-F201 HydrophobicContact CG1-CZ 3.61Å; V156-F201 HydrophobicContact CG2-CE1 4.07Å; V156-F201 HydrophobicContact CG2-CZ 4.2Å; Y169-F201 HydrophobicContact CD1-CB 4.18Å; Y169-F201 AromaticContact CD1-CD2 3.53Å; Y169-F201 HydrophobicContact CD1-CD2 3.53Å; Y169-F201 HydrophobicContact CD1-CE2 4.11Å; Y169-F201 AromaticContact CD1-CG 3.9Å; Y169-F201 HydrophobicContact CD1-CG 3.9Å; Y169-F201 AromaticContact CD2-CD2 3.68Å; Y169-F201 HydrophobicContact CD2-CD2 3.68Å; Y169-F201 HydrophobicContact CD2-CE2 4.26Å; Y169-F201 HydrophobicContact CE1-CB 3.65Å; Y169-F201 AromaticContact CE1-CD2 3.87Å; Y169-F201 HydrophobicContact CE1-CD2 3.87Å; Y169-F201 AromaticContact CE1-CG 3.9Å; Y169-F201 HydrophobicContact CE1-CG 3.9Å; Y169-F201 HydrophobicContact CE2-CB 4.35Å; Y169-F201 AromaticContact CE2-CD2 3.99Å; Y169-F201 HydrophobicContact CE2-CD2 3.99Å; Y169-F201 AromaticContact CG-CD2 3.42Å; Y169-F201 HydrophobicContact CG-CD2 3.42Å; Y169-F201 VanDerWaalsContact CG-CD2 3.42Å; Y169-F201 AromaticContact CG-CE2 3.77Å; Y169-F201 HydrophobicContact CG-CE2 3.77Å; Y169-F201 HydrophobicContact CG-CG 4.25Å; L190-F201 HydrophobicContact CD1-CE2 3.99Å; L190-F201 HydrophobicContact CD1-CZ 3.75Å; F201-P203 HydrophobicContact CD1-CG 4.24Å; F201-P203 HydrophobicContact CE1-CB 4.21Å; F201-P203 HydrophobicContact CE1-CG 3.69Å; F201-P203 HydrophobicContact CZ-CB 4.46Å; F201-P203 HydrophobicContact CZ-CG 4.4Å; F201-Y206 HydrophobicContact CD2-CD2 4.04Å; F201-Y206 HydrophobicContact CD2-CE1 4.37Å; F201-Y206 AromaticContact CD2-CE2 3.71Å; F201-Y206 HydrophobicContact CD2-CE2 3.71Å; F201-Y206 HydrophobicContact CD2-CG 4.49Å; F201-Y206 AromaticContact CD2-CZ 3.88Å; F201-Y206 HydrophobicContact CE2-CD1 4.08Å; F201-Y206 AromaticContact CE2-CD2 3.73Å; F201-Y206 HydrophobicContact CE2-CD2 3.73Å; F201-Y206 HydrophobicContact CE2-CE1 4.21Å; F201-Y206 AromaticContact CE2-CE2 3.88Å; F201-Y206 HydrophobicContact CE2-CE2 3.88Å; F201-Y206 AromaticContact CE2-CG 3.83Å; F201-Y206 HydrophobicContact CE2-CG 3.83Å; F201-V224 HydrophobicContact CB-CG1 3.92Å; F201-V224 HydrophobicContact CD1-CG1 3.63Å; F201-V224 HydrophobicContact CE1-CG1 4.46Å; F201-V224 HydrophobicContact CG-CG1 3.96Å; F201-F232 HydrophobicContact CZ-CZ 4.35Å
202D89Confident89.3Confident69 Ų6981.1 Ų81.137%0.36944%0.437SS..  trans-116.9111.9168.1177.69.3000109.5P197 A204 S205 Y206P197-D202 HydrophobicContact CG-CB 4.17Å; D202-A204 PolarHBondContact O-N 2.8Å; D202-A204 PolarHBondContact OD1-N 3.3Å; D202-A204 VanDerWaalsContact OD1-N 3.09Å; D202-S205 PolarHBondContact O-N 2.84Å; D202-S205 VanDerWaalsContact O-N 3.1Å; D202-S205 PolarHBondContact O-OG 2.84Å; D202-S205 VanDerWaalsContact O-OG 3.09Å; D202-Y206 WeakPolarHBondContact O-CD2 3.37Å
203P87Confident89.2Confident34 Ų3485.1 Ų85.122%0.22146%0.455CS..G310 helixtrans-54-30.5180-23.530.1000114.3F201 S205 Y231 F232F201-P203 HydrophobicContact CD1-CG 4.24Å; F201-P203 HydrophobicContact CE1-CB 4.21Å; F201-P203 HydrophobicContact CE1-CG 3.69Å; F201-P203 HydrophobicContact CZ-CB 4.46Å; F201-P203 HydrophobicContact CZ-CG 4.4Å; P203-S205 VanDerWaalsContact C-N 3.31Å; P203-S205 PolarHBondContact O-N 3.23Å; P203-Y231 HydrophobicContact CB-CE1 3.59Å; P203-Y231 WeakPolarHBondContact CB-OH 3.45Å; P203-F232 HydrophobicContact CB-CZ 4.3Å; P203-F232 WeakPolarHBondContact O-CE1 3.41Å
204A86.3Confident89.3Confident76 Ų7688.9 Ų88.963%0.62847%0.472SS*.G310 helixtrans-75.6-19.8-176.500000113.5D202D202-A204 PolarHBondContact O-N 2.8Å; D202-A204 PolarHBondContact OD1-N 3.3Å; D202-A204 VanDerWaalsContact OD1-N 3.09Å
205S89.3Confident89.6Confident4 Ų482.3 Ų82.33%0.02844%0.441CS..G310 helixtrans-94.6-1.5-178.277.50000113.1T193 S196 D202 P203T193-S205 VanDerWaalsContact CB-O 3.28Å; T193-S205 WeakPolarHBondContact CB-O 3.22Å; T193-S205 VanDerWaalsContact CG2-O 3.22Å; T193-S205 WeakPolarHBondContact CG2-O 3.39Å; T193-S205 PolarHBondContact N-O 2.99Å; T193-S205 VanDerWaalsContact N-O 3.07Å; T193-S205 PolarHBondContact OG1-O 3.2Å; S196-S205 VanDerWaalsContact CA-OG 3.32Å; S196-S205 WeakPolarHBondContact CA-OG 3.48Å; S196-S205 WeakPolarHBondContact CB-OG 3.43Å; S196-S205 WeakPolarHBondContact OG-CB 3.35Å; S196-S205 PolarHBondContact OG-O 2.91Å; S196-S205 PolarHBondContact OG-OG 3.11Å; D202-S205 PolarHBondContact O-N 2.84Å; D202-S205 VanDerWaalsContact O-N 3.1Å; D202-S205 PolarHBondContact O-OG 2.84Å; D202-S205 VanDerWaalsContact O-OG 3.09Å; P203-S205 VanDerWaalsContact C-N 3.31Å; P203-S205 PolarHBondContact O-N 3.23Å
206Y92.1Very high90Very high24 Ų2481.6 Ų81.69%0.09443%0.425CS..EExtended strand (participates in β ladder)trans-107.7151.8-179.8-76.8-109.4000111.3Y169 L190 I191 P192 S196 F201 D202Y169-Y206 AromaticContact CD2-CE1 3.74Å; Y169-Y206 HydrophobicContact CD2-CE1 3.74Å; Y169-Y206 AromaticContact CD2-CZ 3.72Å; Y169-Y206 WeakPolarHBondContact CD2-OH 3.43Å; Y169-Y206 WeakPolarHBondContact CE2-OH 3.49Å; Y169-Y206 HydrophobicContact CG-CE1 4.41Å; L190-Y206 HydrophobicContact CB-CD1 3.77Å; L190-Y206 HydrophobicContact CB-CG 4.39Å; I191-Y206 WeakPolarHBondContact O-CA 3.27Å; P192-Y206 HydrophobicContact CB-CD1 4.22Å; P192-Y206 HydrophobicContact CB-CE1 3.71Å; P192-Y206 HydrophobicContact CG-CE1 4.32Å; S196-Y206 WeakPolarHBondContact OG-CE2 3.31Å; F201-Y206 HydrophobicContact CD2-CD2 4.04Å; F201-Y206 HydrophobicContact CD2-CE1 4.37Å; F201-Y206 AromaticContact CD2-CE2 3.71Å; F201-Y206 HydrophobicContact CD2-CE2 3.71Å; F201-Y206 HydrophobicContact CD2-CG 4.49Å; F201-Y206 AromaticContact CD2-CZ 3.88Å; F201-Y206 HydrophobicContact CE2-CD1 4.08Å; F201-Y206 AromaticContact CE2-CD2 3.73Å; F201-Y206 HydrophobicContact CE2-CD2 3.73Å; F201-Y206 HydrophobicContact CE2-CE1 4.21Å; F201-Y206 AromaticContact CE2-CE2 3.88Å; F201-Y206 HydrophobicContact CE2-CE2 3.88Å; F201-Y206 AromaticContact CE2-CG 3.83Å; F201-Y206 HydrophobicContact CE2-CG 3.83Å; D202-Y206 WeakPolarHBondContact O-CD2 3.37Å
207I91.4Very high90.4Very high93 Ų9384.6 Ų84.648%0.47744%0.435SS..EExtended strand (participates in β ladder)trans-121.1159175.361.8174000110.8L190 I191 T193 G209L190-I207 WeakPolarHBondContact CA-O 3.3Å; I191-I207 HydrophobicContact CB-CG1 3.95Å; I191-I207 PolarHBondContact N-O 3.09Å; I191-I207 PolarHBondContact O-N 3.11Å; T193-I207 HydrophobicContact CG2-CG1 4.34Å; T193-I207 HydrophobicContact CG2-CG2 3.77Å; I207-G209 PolarHBondContact O-N 3.1Å
208I92.6Very high90.8Very high79 Ų7982 Ų8241%0.40542%0.418SS..EExtended strand (participates in β ladder)trans-60.3127.5173.4-67-169.8000109.6T188 F232T188-I208 HydrophobicContact CG2-CG2 3.87Å; I208-F232 HydrophobicContact CD1-CB 3.68Å; I208-F232 WeakPolarHBondContact CD1-O 3.28Å; I208-F232 HydrophobicContact CG1-CB 3.42Å; I208-F232 VanDerWaalsContact CG1-CB 3.42Å; I208-F232 HydrophobicContact CG1-CG 4.41Å; I208-F232 WeakPolarHBondContact CG1-O 3.22Å
209G93.8Very high91.5Very high12 Ų1274.4 Ų74.412%0.12439%0.393CS..EExtended strand (participates in β ladder)trans-103.5-165.1169.800000113W189 I191 I207W189-G209 VanDerWaalsContact O-CA 3.23Å; W189-G209 WeakPolarHBondContact O-CA 3.48Å; W189-G209 PolarHBondContact O-N 3.07Å; I191-G209 VanDerWaalsContact CD1-CA 3.49Å; I207-G209 PolarHBondContact O-N 3.1Å
210P94.9Very high92.1Very high85 Ų8571.4 Ų71.455%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-63.4154.4179.127.2-34.4000112.2W189W189-P210 HydrophobicContact CB-CG 4.48Å; W189-P210 PolarHBondContact N-O 2.92Å
211E94Very high92.6Very high109 Ų10965 Ų6551%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-80142.6170.1-59-165.4162.500109.8R173R173-E211 IonicContact CZ-OE1 2.83Å; R173-E211 IonicContact CZ-OE2 3.06Å; R173-E211 VanDerWaalsContact NH1-CD 3.29Å; R173-E211 IonicContact NH1-OE1 2.68Å; R173-E211 PolarHBondContact NH1-OE1 3.09Å; R173-E211 IonicContact NH1-OE2 3.25Å; R173-E211 PolarHBondContact NH1-OE2 2.94Å; R173-E211 IonicContact NH2-OE2 3.93Å
212E93.4Very high92.9Very high70 Ų7070 Ų7033%0.32736%0.364SS..PPolyproline II helixtrans-79.3126.4172.1-176.868.2-161.800109.3L187 W189 L214L187-E212 HydrophobicContact CB-CB 4.11Å; L187-E212 WeakPolarHBondContact O-CB 3.44Å; L187-E212 PolarHBondContact O-N 3.02Å; W189-E212 PolarHBondContact NE1-OE2 2.88Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 WeakPolarHBondContact CG-O 3.37Å
213D90.8Very high93.2Very high156 Ų15669.8 Ų69.883%0.83436%0.36SS*.SBendtrans-69-33.5-179.3-74.5-29.2000112.4
214L93.1Very high93.5Very high127 Ų12770.4 Ų70.467%0.66536%0.363SS*.SBendtrans-116.9134.6-174.2-65.5178.9000112.3E212 R216E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 WeakPolarHBondContact CG-O 3.37Å; L214-R216 PolarHBondContact O-N 3.03Å
215P94.3Very high93.7Very high52 Ų5268.5 Ų68.534%0.33835%0.345SS..PPolyproline II helixtrans-59127.1177.1-23.534.1000112I176 S184 A185I176-P215 HydrophobicContact CD1-CB 4.1Å; I176-P215 HydrophobicContact CD1-CG 3.42Å; I176-P215 VanDerWaalsContact CD1-CG 3.42Å; S184-P215 WeakPolarHBondContact OG-CB 3.4Å; A185-P215 CarbonylContact O-C 3.49Å; A185-P215 WeakPolarHBondContact O-CA 3.46Å
216R95.6Very high93.7Very high76 Ų7672.3 Ų72.329%0.28736%0.362SS..EExtended strand (participates in β ladder)trans-83.6136.3176.5-162.182.2174142.53.2109.2S184 A185 L187 L214 L221S184-R216 CarbonylContact C-O 3.5Å; S184-R216 WeakPolarHBondContact CA-O 3.36Å; S184-R216 VanDerWaalsContact CB-O 3.26Å; S184-R216 WeakPolarHBondContact CB-O 3.47Å; A185-R216 PolarHBondContact N-O 2.99Å; A185-R216 PolarHBondContact O-N 2.81Å; L187-R216 HydrophobicContact CD1-CB 3.87Å; L187-R216 HydrophobicContact CD1-CG 4.39Å; L187-R216 HydrophobicContact CG-CB 4.47Å; L214-R216 PolarHBondContact O-N 3.03Å; R216-L221 HydrophobicContact CB-CD2 4.32Å; R216-L221 HydrophobicContact CG-CD2 4Å
217K95.8Very high93.5Very high83 Ų8371.8 Ų71.836%0.36136%0.363SS..EExtended strand (participates in β ladder)trans-61.2139.7176.9-61.1-179.7176.4-146.20110.6E182 E219 Y220E182-K217 WeakPolarHBondContact OE1-CD 3.46Å; E182-K217 WeakPolarHBondContact OE1-CE 3.36Å; E182-K217 WeakPolarHBondContact OE1-CG 3.45Å; E182-K217 IonicContact OE1-NZ 2.67Å; E182-K217 PolarHBondContact OE1-NZ 3.33Å; E182-K217 IonicContact OE2-NZ 2.77Å; K217-E219 HydrophobicContact CB-CG 3.8Å; K217-E219 HydrophobicContact CD-CG 4.36Å; K217-E219 WeakPolarHBondContact CD-OE1 3.48Å; K217-E219 IonicContact NZ-OE1 3.85Å; K217-E219 PolarHBondContact O-N 2.99Å; K217-Y220 HydrophobicContact CB-CD2 3.92Å; K217-Y220 HydrophobicContact CB-CE2 4.01Å; K217-Y220 HydrophobicContact CD-CE2 3.98Å; K217-Y220 HydrophobicContact CG-CE2 4.36Å; K217-Y220 PolarHBondContact O-N 3.05Å
218M95.6Very high93.2Very high0 Ų069.9 Ų69.90%036%0.356CS..G310 helixtrans-59.8-20.5178.4-72.7-61-57.200113.2I144 Y146 Y151 F175 K183 A185 Y220 L221I144-M218 HydrophobicContact CD1-CE 3.86Å; I144-M218 HydrophobicContact CD1-CG 3.69Å; I144-M218 HydrophobicContact CD1-SD 3.66Å; Y146-M218 HydrophobicContact CD1-CB 3.84Å; Y146-M218 HydrophobicContact CD1-CE 4.23Å; Y146-M218 HydrophobicContact CD2-CB 4.09Å; Y146-M218 HydrophobicContact CE1-CB 3.75Å; Y146-M218 VanDerWaalsContact CE1-O 3.29Å; Y146-M218 WeakPolarHBondContact CE1-O 3.29Å; Y146-M218 HydrophobicContact CE2-CB 4.01Å; Y146-M218 HydrophobicContact CG-CB 4.01Å; Y146-M218 HydrophobicContact CG-CE 4.43Å; Y151-M218 HydrophobicContact CD1-CE 3.88Å; Y151-M218 HydrophobicContact CD2-CE 3.74Å; Y151-M218 HydrophobicContact CE1-CE 3.91Å; Y151-M218 HydrophobicContact CE2-CE 3.8Å; Y151-M218 HydrophobicContact CG-CE 3.79Å; F175-M218 HydrophobicContact CD1-SD 4.14Å; F175-M218 HydrophobicContact CE1-CE 4.47Å; F175-M218 HydrophobicContact CE1-SD 4.07Å; K183-M218 HydrophobicContact CB-CB 4.34Å; K183-M218 HydrophobicContact CB-CG 3.75Å; K183-M218 WeakPolarHBondContact O-CB 3.47Å; K183-M218 WeakPolarHBondContact O-CG 2.99Å; K183-M218 PolarHBondContact O-N 2.82Å; A185-M218 HydrophobicContact CB-SD 3.84Å; M218-Y220 PolarHBondContact O-N 2.9Å; M218-L221 HydrophobicContact CE-CD1 4.43Å; M218-L221 PolarHBondContact O-N 2.83Å; M218-L221 HydrophobicContact SD-CD1 3.73Å
219E94.8Very high92.7Very high83 Ų8368.1 Ų68.139%0.38835%0.351SS..G310 helixtrans-63.7-26.9178.869.7-172.4174.100114.1Y146 K217Y146-E219 VanDerWaalsContact OH-CA 3.29Å; Y146-E219 WeakPolarHBondContact OH-CA 3.45Å; Y146-E219 WeakPolarHBondContact OH-CB 3.5Å; Y146-E219 PolarHBondContact OH-N 2.66Å; K217-E219 HydrophobicContact CB-CG 3.8Å; K217-E219 HydrophobicContact CD-CG 4.36Å; K217-E219 WeakPolarHBondContact CD-OE1 3.48Å; K217-E219 IonicContact NZ-OE1 3.85Å; K217-E219 PolarHBondContact O-N 2.99Å
220Y95.2Very high92.1Very high104 Ų10469.7 Ų69.741%0.40836%0.355SS..G310 helixtrans-93.90.5178.8-56.6-62.4000113.5K217 M218K217-Y220 HydrophobicContact CB-CD2 3.92Å; K217-Y220 HydrophobicContact CB-CE2 4.01Å; K217-Y220 HydrophobicContact CD-CE2 3.98Å; K217-Y220 HydrophobicContact CG-CE2 4.36Å; K217-Y220 PolarHBondContact O-N 3.05Å; M218-Y220 PolarHBondContact O-N 2.9Å
221L96Very high91.5Very high9 Ų970.5 Ų70.55%0.04735%0.348CS..  trans-104.8120.9-175.7-51.6-174.5000109.5V157 V159 A185 L187 R216 M218V157-L221 HydrophobicContact CB-CB 4.26Å; V157-L221 HydrophobicContact CG1-CB 4.32Å; V157-L221 HydrophobicContact CG2-CB 4.46Å; V157-L221 HydrophobicContact CG2-CD1 4.45Å; V157-L221 HydrophobicContact CG2-CD2 4.25Å; V159-L221 HydrophobicContact CG2-CD2 3.51Å; A185-L221 HydrophobicContact CB-CD1 3.72Å; L187-L221 HydrophobicContact CD1-CD2 3.94Å; L187-L221 HydrophobicContact CD2-CD1 4.25Å; R216-L221 HydrophobicContact CB-CD2 4.32Å; R216-L221 HydrophobicContact CG-CD2 4Å; M218-L221 HydrophobicContact CE-CD1 4.43Å; M218-L221 PolarHBondContact O-N 2.83Å; M218-L221 HydrophobicContact SD-CD1 3.73Å
222E95.3Very high90.9Very high126 Ų12666.5 Ų66.559%0.58933%0.329SS*.EExtended strand (participates in β ladder)trans-102.6135.8171.5178.2174.5-150.600109.7V157 S158V157-E222 CarbonylContact C-O 3.5Å; V157-E222 WeakPolarHBondContact CA-O 3.31Å; V157-E222 VanDerWaalsContact CB-O 3.31Å; V157-E222 WeakPolarHBondContact CB-O 3.46Å; S158-E222 PolarHBondContact N-O 2.96Å; S158-E222 PolarHBondContact O-N 2.83Å; S158-E222 WeakPolarHBondContact OG-CB 3.44Å
223F95.2Very high90.3Very high63 Ų6367.4 Ų67.428%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-72.6130.4-178176.7-96.3000110.6V149 Y151 D155 H226V149-F223 HydrophobicContact CG1-CB 4.09Å; V149-F223 HydrophobicContact CG1-CD1 4.46Å; V149-F223 HydrophobicContact CG1-CD2 4.01Å; V149-F223 HydrophobicContact CG1-CG 3.92Å; Y151-F223 HydrophobicContact CD1-CD2 4.18Å; Y151-F223 HydrophobicContact CE1-CB 3.81Å; Y151-F223 HydrophobicContact CE1-CD2 4.03Å; Y151-F223 HydrophobicContact CE1-CG 4.42Å; D155-F223 HydrophobicContact CB-CE2 4.45Å; F223-H226 AromaticContact CE2-CE1 3.54Å; F223-H226 AromaticContact CE2-ND1 3.64Å; F223-H226 AromaticContact CZ-CD2 3.8Å; F223-H226 AromaticContact CZ-CE1 3.59Å; F223-H226 AromaticContact CZ-CG 3.88Å; F223-H226 AromaticContact CZ-ND1 3.76Å; F223-H226 AromaticContact CZ-NE2 3.63Å
224V94.1Very high89.2Confident47 Ų4763.5 Ų63.529%0.28532%0.317SS..EExtended strand (participates in β ladder)trans-107.8-60.4177.3178.60000110.4V156 Y169 F201V156-V224 HydrophobicContact CB-CB 4.5Å; V156-V224 HydrophobicContact CG1-CB 4.27Å; V156-V224 WeakPolarHBondContact O-CB 3.37Å; V156-V224 PolarHBondContact O-N 2.6Å; Y169-V224 HydrophobicContact CD1-CG2 3.95Å; Y169-V224 HydrophobicContact CE1-CG1 4.25Å; Y169-V224 HydrophobicContact CE1-CG2 3.82Å; F201-V224 HydrophobicContact CB-CG1 3.92Å; F201-V224 HydrophobicContact CD1-CG1 3.63Å; F201-V224 HydrophobicContact CE1-CG1 4.46Å; F201-V224 HydrophobicContact CG-CG1 3.96Å
225C91Very high87.8Confident36 Ų3669.5 Ų69.524%0.24333%0.33CS..EExtended strand (participates in β ladder)trans-158.9160.6178.666.80000113.1V156V156-C225 PolarHBondContact N-O 3.08Å; V156-C225 PolarHBondContact O-N 2.76Å
226H89.4Confident86.2Confident85 Ų8572 Ų7239%0.39435%0.349SS..  trans-77.7131.3167.8-67.7-54.8000110.3D155 F223D155-H226 VanDerWaalsContact CG-ND1 3.31Å; D155-H226 WeakPolarHBondContact OD1-CA 3.07Å; D155-H226 IonicContact OD1-CE1 3.94Å; D155-H226 IonicContact OD1-CG 3.62Å; D155-H226 IonicContact OD1-ND1 2.66Å; D155-H226 PolarHBondContact OD1-ND1 3.46Å; D155-H226 IonicContact OD2-CE1 3.75Å; D155-H226 IonicContact OD2-ND1 3.9Å; D155-H226 PolarHBondContact OD2-ND1 3.23Å; F223-H226 AromaticContact CE2-CE1 3.54Å; F223-H226 AromaticContact CE2-ND1 3.64Å; F223-H226 AromaticContact CZ-CD2 3.8Å; F223-H226 AromaticContact CZ-CE1 3.59Å; F223-H226 AromaticContact CZ-CG 3.88Å; F223-H226 AromaticContact CZ-ND1 3.76Å; F223-H226 AromaticContact CZ-NE2 3.63Å
227A87.5Confident84.6Confident13 Ų1370.4 Ų70.411%0.10735%0.349CS..  trans-140.2145.7173.600000110.6G154 V156G154-A227 CarbonylContact C-O 3.52Å; G154-A227 VanDerWaalsContact CA-O 3.31Å; G154-A227 WeakPolarHBondContact CA-O 3.12Å; G154-A227 WeakPolarHBondContact O-CB 3.39Å; V156-A227 HydrophobicContact CG2-CB 4.06Å
228P85.6Confident83.2Confident53 Ų5371.9 Ų71.934%0.34437%0.368SS..  trans-54.4143.9170.2-29.637.5000112.2Q171 E230 Y231 E247Q171-P228 PolarHBondContact NE2-O 3.01Å; P228-E230 PolarHBondContact O-N 2.77Å; P228-Y231 VanDerWaalsContact O-CB 3.27Å; P228-Y231 WeakPolarHBondContact O-CB 3.4Å; P228-Y231 PolarHBondContact O-N 2.67Å; P228-E247 WeakPolarHBondContact CB-OE1 3.41Å
229S81.8Confident81.5Confident42 Ų4279.6 Ų79.629%0.29440%0.402SS..THydrogen-bonded Turntrans-59.1-21.9174.965.90000113.4K233S229-K233 WeakPolarHBondContact O-CE 3.29Å
230E81.4Confident79.7Confident45 Ų4580.6 Ų80.621%0.2142%0.415CS..THydrogen-bonded Turntrans-98.8-0.6-179.3-51.5-52.5123.600113.1P228 F232 K233 T241P228-E230 PolarHBondContact O-N 2.77Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.02Å; E230-K233 PolarHBondContact O-N 2.81Å; E230-K233 WeakPolarHBondContact OE1-CE 3.39Å; E230-K233 IonicContact OE1-NZ 3.57Å; E230-K233 PolarHBondContact OE1-NZ 2.89Å; E230-K233 WeakPolarHBondContact OE2-CD 3.48Å; E230-K233 WeakPolarHBondContact OE2-CE 3.35Å; E230-K233 IonicContact OE2-NZ 3.53Å; E230-K233 PolarHBondContact OE2-NZ 2.62Å; E230-T241 WeakPolarHBondContact OE2-CB 2.95Å; E230-T241 VanDerWaalsContact OE2-CG2 3.29Å; E230-T241 WeakPolarHBondContact OE2-CG2 3.32Å; E230-T241 PolarHBondContact OE2-OG1 2.89Å
231Y81.4Confident77.8Confident101 Ų10178.8 Ų78.840%0.39642%0.415SS..THydrogen-bonded Turntrans-53.8-46.9-169.8-178.2-90.6000112.8P203 P228P203-Y231 HydrophobicContact CB-CE1 3.59Å; P203-Y231 WeakPolarHBondContact CB-OH 3.45Å; P228-Y231 VanDerWaalsContact O-CB 3.27Å; P228-Y231 WeakPolarHBondContact O-CB 3.4Å; P228-Y231 PolarHBondContact O-N 2.67Å
232F82.4Confident76Confident25 Ų2583.7 Ų83.711%0.1145%0.445CS..THydrogen-bonded Turntrans-90-4.5-178.2-63.4-79000113.4V156 L190 F201 P203 I208 E230V156-F232 HydrophobicContact CG2-CE2 4.13Å; L190-F232 HydrophobicContact CD1-CE1 4.33Å; L190-F232 HydrophobicContact CD1-CE2 3.79Å; L190-F232 HydrophobicContact CD1-CZ 3.64Å; L190-F232 HydrophobicContact CD2-CD1 4.01Å; L190-F232 HydrophobicContact CD2-CD2 3.87Å; L190-F232 HydrophobicContact CD2-CE1 3.98Å; L190-F232 HydrophobicContact CD2-CE2 3.85Å; L190-F232 HydrophobicContact CD2-CG 3.97Å; L190-F232 HydrophobicContact CD2-CZ 3.92Å; L190-F232 HydrophobicContact CG-CE2 4.5Å; L190-F232 HydrophobicContact CG-CZ 4.45Å; F201-F232 HydrophobicContact CZ-CZ 4.35Å; P203-F232 HydrophobicContact CB-CZ 4.3Å; P203-F232 WeakPolarHBondContact O-CE1 3.41Å; I208-F232 HydrophobicContact CD1-CB 3.68Å; I208-F232 WeakPolarHBondContact CD1-O 3.28Å; I208-F232 HydrophobicContact CG1-CB 3.42Å; I208-F232 VanDerWaalsContact CG1-CB 3.42Å; I208-F232 HydrophobicContact CG1-CG 4.41Å; I208-F232 WeakPolarHBondContact CG1-O 3.22Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.02Å
233K79.9Confident74.1Confident90 Ų9081.4 Ų81.439%0.39144%0.441SS..SBendtrans-75.1146.9-178.4-60.8-157.3-151.7155.80110.9S229 E230 R235 T241S229-K233 WeakPolarHBondContact O-CE 3.29Å; E230-K233 PolarHBondContact O-N 2.81Å; E230-K233 WeakPolarHBondContact OE1-CE 3.39Å; E230-K233 IonicContact OE1-NZ 3.57Å; E230-K233 PolarHBondContact OE1-NZ 2.89Å; E230-K233 WeakPolarHBondContact OE2-CD 3.48Å; E230-K233 WeakPolarHBondContact OE2-CE 3.35Å; E230-K233 IonicContact OE2-NZ 3.53Å; E230-K233 PolarHBondContact OE2-NZ 2.62Å; K233-R235 PolarHBondContact O-N 3.48Å; K233-T241 HydrophobicContact CD-CG2 4.39Å
234S66.9Low72.2Confident74 Ų7485 Ų8552%0.51747%0.468SS..  trans-63.2120.9179.7179.70000111.2S236 S237S234-S236 PolarHBondContact O-N 3.07Å; S234-S236 PolarHBondContact OG-N 2.98Å; S234-S236 PolarHBondContact OG-OG 2.88Å; S234-S236 VanDerWaalsContact OG-OG 3.06Å; S234-S237 WeakPolarHBondContact O-CB 3.38Å; S234-S237 PolarHBondContact O-N 3.08Å
235R64.9Low70.3Confident252 Ų25290 Ų9095%0.95148%0.482SS*.THydrogen-bonded Turntrans-66.8-18.4173.6-64.4-174.5-178.5172.32.2113.1K233K233-R235 PolarHBondContact O-N 3.48Å
236S60.9Low68.7Low104 Ų10494.1 Ų94.173%0.72751%0.509SS*.THydrogen-bonded Turntrans-97.512.617971.80000112.9S234S234-S236 PolarHBondContact O-N 3.07Å; S234-S236 PolarHBondContact OG-N 2.98Å; S234-S236 PolarHBondContact OG-OG 2.88Å; S234-S236 VanDerWaalsContact OG-OG 3.06Å
237S62.5Low67.1Low43 Ų4395.3 Ų95.330%0.30151%0.514SS..  trans-56.7133173.7168.60000110S234 F239S234-S237 WeakPolarHBondContact O-CB 3.38Å; S234-S237 PolarHBondContact O-N 3.08Å; S237-F239 WeakPolarHBondContact CB-O 3.23Å; S237-F239 PolarHBondContact O-N 3.32Å; S237-F239 VanDerWaalsContact O-N 3.07Å; S237-F239 PolarHBondContact OG-N 2.76Å; S237-F239 PolarHBondContact OG-O 3.25Å
238P65.1Low65.5Low114 Ų114102.1 Ų102.174%0.7454%0.542SS*.SBendtrans-61.7-16.9175.326.8-34000112.3P240P238-P240 WeakPolarHBondContact O-CD 3.46Å
239F60.4Low63.7Low163 Ų163101.9 Ų101.972%0.71555%0.548SS*.SBendtrans-107.196.6169.5-55.4-73.5000108.5S237 T241S237-F239 WeakPolarHBondContact CB-O 3.23Å; S237-F239 PolarHBondContact O-N 3.32Å; S237-F239 VanDerWaalsContact O-N 3.07Å; S237-F239 PolarHBondContact OG-N 2.76Å; S237-F239 PolarHBondContact OG-O 3.25Å; F239-T241 PolarHBondContact O-N 2.68Å
240P56.8Low62.1Low103 Ų103106.8 Ų106.867%0.66956%0.561SS**  trans-61.2122.3175.522.1-30000108.8P238 V242P238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-V242 PolarHBondContact O-N 3.25Å
241T56.1Low60.5Low67 Ų67109.8 Ų109.841%0.41158%0.578SS.*  trans-76.283.5174.147.80000108.7E230 K233 F239 P243E230-T241 WeakPolarHBondContact OE2-CB 2.95Å; E230-T241 VanDerWaalsContact OE2-CG2 3.29Å; E230-T241 WeakPolarHBondContact OE2-CG2 3.32Å; E230-T241 PolarHBondContact OE2-OG1 2.89Å; K233-T241 HydrophobicContact CD-CG2 4.39Å; F239-T241 PolarHBondContact O-N 2.68Å; T241-P243 VanDerWaalsContact O-CD 3.31Å; T241-P243 WeakPolarHBondContact O-CD 3.05Å
242V57.1Low58.5Low112 Ų112115 Ų11568%0.67960%0.597SS**  trans-65.5121171.8-177.30000107.1P240 T244P240-V242 PolarHBondContact O-N 3.25Å; V242-T244 PolarHBondContact O-N 3.02Å; V242-T244 VanDerWaalsContact O-N 3.08Å
243P56.5Low56.8Low77 Ų77118.7 Ų118.750%0.562%0.622SS.*  trans-54.4120.5175.8-24.634000109.4T241 R245T241-P243 VanDerWaalsContact O-CD 3.31Å; T241-P243 WeakPolarHBondContact O-CD 3.05Å; P243-R245 PolarHBondContact O-N 3.01Å; P243-R245 VanDerWaalsContact O-N 3.11Å
244T54.3Low55Low138 Ų138122.4 Ų122.485%0.84764%0.64SS**SBendtrans-66.2-15.6-173.151.60000113V242V242-T244 PolarHBondContact O-N 3.02Å; V242-T244 VanDerWaalsContact O-N 3.08Å
245R55.3Low53.9Low152 Ų152122.2 Ų122.257%0.57464%0.635SS**SBendtrans-143.7151.8175.4-64.8-175.9-176.8124.83.8109.3E142 P243 E247E142-R245 IonicContact OE1-CZ 3.65Å; E142-R245 IonicContact OE1-NH1 3.25Å; E142-R245 PolarHBondContact OE1-NH1 2.9Å; E142-R245 IonicContact OE2-NH1 2.83Å; E142-R245 PolarHBondContact OE2-NH1 2.69Å; P243-R245 PolarHBondContact O-N 3.01Å; P243-R245 VanDerWaalsContact O-N 3.11Å; R245-E247 PolarHBondContact O-N 3.19Å; R245-E247 VanDerWaalsContact O-N 3.11Å
246P57.2Low52.9Low124 Ų124112.5 Ų112.581%0.80561%0.614SS**  trans-55.4121.9165.822.4-30000107.9K248P246-K248 PolarHBondContact O-N 3.19Å
247E55.9Low51.8Low109 Ų109113.8 Ų113.851%0.50962%0.62SS.*  trans-48.9130.3178-72.9-173.3160.300108.4P228 R245 G249P228-E247 WeakPolarHBondContact CB-OE1 3.41Å; R245-E247 PolarHBondContact O-N 3.19Å; R245-E247 VanDerWaalsContact O-N 3.11Å; E247-G249 PolarHBondContact O-N 3.27Å
248K53.8Low51Low157 Ų157116.8 Ų116.868%0.68364%0.636SS**  trans-68.778.1164.2-68.6174.7-177.1171.10105P246 Y250P246-K248 PolarHBondContact O-N 3.19Å; K248-Y250 HydrophobicContact CB-CD2 4.45Å; K248-Y250 HydrophobicContact CB-CE2 4.24Å; K248-Y250 VanDerWaalsContact O-CD2 3.29Å; K248-Y250 WeakPolarHBondContact O-CD2 3.39Å; K248-Y250 PolarHBondContact O-N 3.29Å
249G47.3Very low49.9Very low47 Ų47116.8 Ų116.849%0.48564%0.637SS.*  trans-67.171.7-164.900000113E247 I251E247-G249 PolarHBondContact O-N 3.27Å; G249-I251 PolarHBondContact O-N 3.01Å
250Y47.4Very low48.8Very low145 Ų145113.2 Ų113.257%0.56964%0.637SS**  trans-76.678.1159.6-61.5-70000107M19 K248M19-Y250 HydrophobicContact SD-CE1 4.48Å; K248-Y250 HydrophobicContact CB-CD2 4.45Å; K248-Y250 HydrophobicContact CB-CE2 4.24Å; K248-Y250 VanDerWaalsContact O-CD2 3.29Å; K248-Y250 WeakPolarHBondContact O-CD2 3.39Å; K248-Y250 PolarHBondContact O-N 3.29Å
251I48.3Very low48.2Very low108 Ų108115.7 Ų115.755%0.55464%0.643SS**  trans-93127.9176.3-51.1167.7000106.4G249 V255G249-I251 PolarHBondContact O-N 3.01Å; I251-V255 HydrophobicContact CB-CG2 4.48Å; I251-V255 HydrophobicContact CD1-CG2 4.01Å; I251-V255 HydrophobicContact CG2-CG2 4.09Å
252W40.1Very low47.3Very low212 Ų212117.9 Ų117.980%0.80366%0.657SS**  trans-51.8145.8165.2-172.5-80.1000109.6H254W252-H254 VanDerWaalsContact C-N 3.32Å; W252-H254 PolarHBondContact O-N 3.17Å
253T46.2Very low46.5Very low102 Ų102119.5 Ų119.563%0.62666%0.66SS**SBendtrans-58.469.1-167.648.10000116.4
254H42.2Very low45.5Very low167 Ų167124.2 Ų124.277%0.77367%0.673SS**  trans-149.157.6163.3-74.3-72000111.1W252W252-H254 VanDerWaalsContact C-N 3.32Å; W252-H254 PolarHBondContact O-N 3.17Å
255V43.3Very low44.8Very low70 Ų70126 Ų12642%0.42467%0.671SS.*  trans-106.780.4155.4-171.80000107I251I251-V255 HydrophobicContact CB-CG2 4.48Å; I251-V255 HydrophobicContact CD1-CG2 4.01Å; I251-V255 HydrophobicContact CG2-CG2 4.09Å
256G43.9Very low43.8Very low48 Ų48124.5 Ų124.550%0.49568%0.679SS.*  trans-60.5158.3153.100000109.1T258G256-T258 PolarHBondContact O-N 3.37Å
257P38.6Very low43Very low132 Ų132124.1 Ų124.186%0.85767%0.674SS**  trans-55.4110.2-179.821.7-30.9000109.6P259P257-P259 WeakPolarHBondContact O-CD 3.46Å
258T46.1Very low42Very low105 Ų105123.1 Ų123.164%0.64469%0.685SS**  trans-68.6121.616733.80000107G256 A260G256-T258 PolarHBondContact O-N 3.37Å; T258-A260 PolarHBondContact O-N 3.06Å
259P41.7Very low41.3Very low115 Ų115122.1 Ų122.175%0.74769%0.687SS**  trans-59.1129.617124.4-30.8000107.7P257 I261P257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-I261 PolarHBondContact O-N 2.79Å
260A37.8Very low40.7Very low88 Ų88128.5 Ų128.573%0.72770%0.703SS**  trans-54.5114.3175.300000108.2T258 T262T258-A260 PolarHBondContact O-N 3.06Å; A260-T262 VanDerWaalsContact C-N 3.26Å; A260-T262 PolarHBondContact O-N 3.28Å
261I42.3Very low40.1Very low155 Ų155132.7 Ų132.780%0.79574%0.735SS**  trans-69.595.2169.8-56.2172000105.2P259 I263P259-I261 PolarHBondContact O-N 2.79Å; I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 HydrophobicContact CG2-CG1 4.41Å; I261-I263 PolarHBondContact O-N 3.18Å
262T38Very low39.7Very low113 Ų113134 Ų13469%0.69374%0.744SS**  trans-65.5100.3164.8-52.50000106.5A260 K264A260-T262 VanDerWaalsContact C-N 3.26Å; A260-T262 PolarHBondContact O-N 3.28Å; T262-K264 HydrophobicContact CG2-CG 4.4Å; T262-K264 PolarHBondContact O-N 2.89Å
263I40.1Very low39.7Very low146 Ų146129.8 Ų129.875%0.74974%0.741SS**  trans-66.393.6167.1-59.8171.1000105.7I261 E265I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 HydrophobicContact CG2-CG1 4.41Å; I261-I263 PolarHBondContact O-N 3.18Å; I263-E265 PolarHBondContact O-N 3.07Å
264K35.1Very low39.3Very low176 Ų176131.4 Ų131.477%0.76575%0.747SS**  trans-76.9105.1160-88.3-175.7173.4-178.10106.5T262 T266T262-K264 HydrophobicContact CG2-CG 4.4Å; T262-K264 PolarHBondContact O-N 2.89Å; K264-T266 PolarHBondContact O-N 3.11Å; K264-T266 VanDerWaalsContact O-N 3.11Å
265E39.3Very low39.2Very low174 Ų174129.3 Ų129.381%0.81375%0.745SS**  trans-50.5115.9158.6-85.9179.2134.200108.2I263I263-E265 PolarHBondContact O-N 3.07Å
266T34.8Very low38.9Very low122 Ų122133 Ų13375%0.74877%0.766SS**  trans-11686.7159.9-45.40000106K264 A268K264-T266 PolarHBondContact O-N 3.11Å; K264-T266 VanDerWaalsContact O-N 3.11Å; T266-A268 PolarHBondContact O-N 3.21Å
267V40.9Very low38.6Very low116 Ų116138.7 Ų138.770%0.70378%0.784SS**  trans-71.6100.9159.9175.50000105.9
268A34.4Very low38.6Very low88 Ų88139.1 Ų139.173%0.72778%0.778SS**  trans-106.895.1161.500000107.3T266T266-A268 PolarHBondContact O-N 3.21Å
269N38.8Very low38Very low135 Ų135141.8 Ų141.872%0.72279%0.789SS**  trans-54.8132.6150.6-80.1-52000107.6
270H34.9Very low37.7Very low181 Ų181144 Ų14484%0.83879%0.792SS**  trans-156.7135.9136.2-112.3-76.9000111.2
271L35.9Very low37.7Very low234 Ų234149.1 Ų149.1100%1.22580%0.798SS**  trans-37.60171.6-71.1132.4000115.7

Retrieved 271 of 271 residues in 147.9 ms (Link to these results)

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