A0A087WQF0_MOUSE Loading...

Phospholipid phosphatase-related protein type 2

AlphaFold DB , UniProt , Accession A0A087WQF0, Species MOUSE (Mus musculus, Mouse), Gene Plppr2, Length 427 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low36.9Very low246 Ų246156.6 Ų156.6100%1.21286%0.86SS**  0122.30-71-171.5-177.300108.1
2A35Very low36.9Very low107 Ų107159.3 Ų159.388%0.88486%0.857SS**  trans-76.5123.9-16600000112.3G4A2-G4 PolarHBondContact O-N 3.48Å
3G35.6Very low36.9Very low81 Ų81154.8 Ų154.884%0.83585%0.846SS**  trans-8599.4165.600000110.1R5G3-R5 PolarHBondContact O-N 3.49Å
4G32.5Very low37.5Very low74 Ų74154.4 Ų154.476%0.76384%0.84SS**  trans-77112.8174.500000111.3A2A2-G4 PolarHBondContact O-N 3.48Å
5R37.3Very low38.1Very low231 Ų231153.5 Ų153.587%0.87283%0.832SS**  trans-66.5135.9165.1-68.9-179.1-168.2-175.33109.1G3 H7G3-R5 PolarHBondContact O-N 3.49Å; R5-H7 PolarHBondContact O-N 2.8Å; R5-H7 VanDerWaalsContact O-N 3.16Å
6P39.8Very low38.5Very low126 Ų126148.8 Ų148.882%0.81881%0.812SS**  trans-67.4117.7170.426.3-30000109.1L8P6-L8 PolarHBondContact O-N 3.04Å
7H35.5Very low39.2Very low183 Ų183145 Ų14585%0.84780%0.798SS**  trans-59.4103.7170-108-98.2000108.9R5 K9R5-H7 PolarHBondContact O-N 2.8Å; R5-H7 VanDerWaalsContact O-N 3.16Å; H7-K9 PolarHBondContact O-N 3.23Å
8L37.6Very low40.1Very low152 Ų152146.4 Ų146.480%0.79680%0.795SS**  trans-64.590.2163.2-166.876000107P6 R10P6-L8 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.39Å
9K35.8Very low41.4Very low195 Ų195143.7 Ų143.785%0.84878%0.783SS**  trans-5899.8163-84-176.7177.5-179.20105.7H7 S11H7-K9 PolarHBondContact O-N 3.23Å; K9-S11 PolarHBondContact O-N 3.06Å
10R39.2Very low42.9Very low220 Ų220142.5 Ų142.583%0.8377%0.77SS**  trans-60.584158.2-83179.7175.1164.6-1.8106.1L8 F12L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.39Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 2.85Å
11S37.9Very low44.4Very low108 Ų108137.1 Ų137.176%0.75574%0.742SS**  trans-58.8109.2155.9-144.70000103.8K9 S13K9-S11 PolarHBondContact O-N 3.06Å; S11-S13 PolarHBondContact O-N 2.92Å
12F37.3Very low46.3Very low188 Ų188128.5 Ų128.583%0.82570%0.699SS**  trans-55.295.1161.5-97.5-102.8000104.8R10 I14R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 2.85Å; F12-I14 PolarHBondContact O-N 2.68Å
13S36Very low48.5Very low102 Ų102123.8 Ų123.871%0.71366%0.66SS**  trans-67.485.5161-162.70000103.9S11 I15S11-S13 PolarHBondContact O-N 2.92Å; S13-I15 PolarHBondContact O-N 2.8Å
14I46.2Very low50.9Low148 Ų148120 Ų12076%0.75962%0.621SS**  trans-43.4119.1153.5-61.2172.3000103.1F12 P16F12-I14 PolarHBondContact O-N 2.68Å; I14-P16 VanDerWaalsContact O-N 3.11Å
15I45.9Very low53.4Low141 Ų141120.7 Ų120.772%0.72360%0.603SS**  trans-26.3120.2176.3-61.8159.6000107.3S13 C17S13-I15 PolarHBondContact O-N 2.8Å; I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 2.75Å
16P44.9Very low55.7Low78 Ų78109.9 Ų109.951%0.50656%0.563SS.*  trans-53110.817622.7-30.6000104.5I14 F18I14-P16 VanDerWaalsContact O-N 3.11Å; P16-F18 HydrophobicContact CG-CD2 4.29Å; P16-F18 HydrophobicContact CG-CE2 3.91Å; P16-F18 HydrophobicContact CG-CZ 4.43Å; P16-F18 WeakPolarHBondContact O-CD2 2.97Å; P16-F18 PolarHBondContact O-N 3.02Å
17C51Low57.7Low85 Ų85108.6 Ų108.657%0.57454%0.542SS*.  trans-64.896.3173.2-154.10000100.9I15 V19I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 2.75Å; C17-V19 WeakPolarHBondContact O-CG2 3.42Å; C17-V19 PolarHBondContact O-N 3.39Å
18F54.3Low60.1Low171 Ų171101.4 Ų101.475%0.7551%0.51SS*.  trans-59.298.7-178.4-87-89000104P16 F20P16-F18 HydrophobicContact CG-CD2 4.29Å; P16-F18 HydrophobicContact CG-CE2 3.91Å; P16-F18 HydrophobicContact CG-CZ 4.43Å; P16-F18 WeakPolarHBondContact O-CD2 2.97Å; P16-F18 PolarHBondContact O-N 3.02Å; F18-F20 PolarHBondContact O-N 2.7Å
19V65.3Low62.3Low94 Ų9498.6 Ų98.657%0.5750%0.503SS*.  trans-70.594.9171.1-175.80000102.9C17 V21 V124C17-V19 WeakPolarHBondContact O-CG2 3.42Å; C17-V19 PolarHBondContact O-N 3.39Å; V19-V21 HydrophobicContact CG1-CG2 4.3Å; V19-V21 PolarHBondContact O-N 2.75Å; V19-V124 HydrophobicContact CG2-CG1 4.06Å
20F71.4Confident64.7Low119 Ų11991.4 Ų91.452%0.52248%0.481SS..  trans-62.8128.3174.5-173.2-97.6000106.4F18 E22 V125 T126 G127F18-F20 PolarHBondContact O-N 2.7Å; F20-E22 HydrophobicContact CD1-CB 4.31Å; F20-E22 HydrophobicContact CE1-CB 3.92Å; F20-E22 HydrophobicContact CE1-CG 4.22Å; F20-V125 WeakPolarHBondContact CB-O 3.3Å; F20-T126 VanDerWaalsContact CD1-O 3.28Å; F20-T126 WeakPolarHBondContact CD1-O 3.38Å; F20-G127 WeakPolarHBondContact O-CA 3.39Å
21V74.2Confident67.1Low30 Ų3082.7 Ų82.718%0.18245%0.448CS..  trans-113.1103.8175.5177.80000106.3V19 Q163V19-V21 HydrophobicContact CG1-CG2 4.3Å; V19-V21 PolarHBondContact O-N 2.75Å; V21-Q163 HydrophobicContact CB-CG 4.48Å; V21-Q163 HydrophobicContact CG1-CG 4.03Å; V21-Q163 HydrophobicContact CG2-CG 4.36Å
22E79Confident69.5Low66 Ų6680.3 Ų80.331%0.30844%0.435SS..  trans-67133.9173.1-160.9169.9175.400109F20 N128 R177F20-E22 HydrophobicContact CD1-CB 4.31Å; F20-E22 HydrophobicContact CE1-CB 3.92Å; F20-E22 HydrophobicContact CE1-CG 4.22Å; E22-N128 PolarHBondContact OE2-OD1 2.93Å; E22-R177 PolarHBondContact O-NH1 3.36Å
23G82Confident72.2Confident7 Ų775.3 Ų75.37%0.07241%0.413CS..  trans-73.8171.4174.700000111.5V160G23-V160 CarbonylContact C-O 3.43Å; G23-V160 WeakPolarHBondContact CA-O 3.29Å
24F85.2Confident74.8Confident1 Ų174.7 Ų74.70%0.00441%0.406CS..EExtended strand (participates in β ladder)trans-134155177.762.2-87000110.6F133 L134 P139 V160 A165F24-F133 HydrophobicContact CB-CE1 4.4Å; F24-F133 AromaticContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CZ 4.22Å; F24-F133 HydrophobicContact CE1-CE1 4.05Å; F24-F133 HydrophobicContact CE1-CZ 4.39Å; F24-F133 AromaticContact CG-CE1 3.99Å; F24-F133 HydrophobicContact CG-CE1 3.99Å; F24-L134 HydrophobicContact CD2-CD2 3.68Å; F24-L134 HydrophobicContact CE2-CD2 3.93Å; F24-L134 HydrophobicContact CG-CD2 4.32Å; F24-P139 HydrophobicContact CE2-CB 4.28Å; F24-P139 HydrophobicContact CE2-CG 4.28Å; F24-P139 HydrophobicContact CZ-CB 4.14Å; F24-V160 HydrophobicContact CE1-CB 4.28Å; F24-V160 HydrophobicContact CE1-CG1 4.17Å; F24-V160 HydrophobicContact CE2-CB 4.24Å; F24-V160 HydrophobicContact CZ-CB 4.05Å; F24-V160 HydrophobicContact CZ-CG1 4Å; F24-V160 PolarHBondContact N-O 3.32Å; F24-V160 PolarHBondContact O-N 3.42Å; F24-A165 HydrophobicContact CE1-CB 4.31Å; F24-A165 HydrophobicContact CZ-CB 4.06Å
25F86.4Confident77Confident89 Ų8972.3 Ų72.339%0.3939%0.388SS..EExtended strand (participates in β ladder)trans-85.7144.1174.1-72.1-83.2000111.2Y27 D28 P156 F159F25-Y27 PolarHBondContact O-N 3.37Å; F25-D28 HydrophobicContact CB-CB 4.18Å; F25-D28 PolarHBondContact O-N 2.85Å; F25-P156 HydrophobicContact CB-CB 4.05Å; F25-P156 HydrophobicContact CD1-CB 4.46Å; F25-F159 HydrophobicContact CD1-CB 4.13Å; F25-F159 HydrophobicContact CD1-CD2 4.04Å; F25-F159 AromaticContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CE2 4.31Å; F25-F159 HydrophobicContact CE1-CB 3.89Å; F25-F159 AromaticContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CG 4.29Å; F25-F159 AromaticContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CE2 4.02Å; F25-F159 HydrophobicContact CG-CD2 4.06Å; F25-F159 HydrophobicContact CZ-CB 4.43Å; F25-F159 AromaticContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CE2 4.32Å; F25-F159 HydrophobicContact CZ-CG 4.37Å
26C84.8Confident79Confident4 Ų467.6 Ų67.63%0.02737%0.367CS..THydrogen-bonded Turntrans-61.1138.1174.9-51.90000110.6D28 Y141 C146 R158C26-D28 PolarHBondContact O-N 3.12Å; C26-D28 VanDerWaalsContact O-N 3.16Å; C26-Y141 HydrophobicContact CB-CD1 4.37Å; C26-Y141 HydrophobicContact CB-CE1 4.38Å; C26-C146 HydrophobicContact CB-CB 3.54Å; C26-C146 WeakPolarHBondContact CB-SG 3.44Å; C26-C146 WeakPolarHBondContact SG-CB 3.45Å; C26-C146 CovalentContact SG-SG 2.04Å; C26-C146 PolarHBondContact SG-SG 3.37Å; C26-R158 PolarHBondContact N-O 3.45Å; C26-R158 PolarHBondContact SG-O 2.98Å
27Y80.9Confident81.1Confident99 Ų9964.7 Ų64.739%0.38835%0.351SS..THydrogen-bonded Turntrans56.125.7178.1-56.8-75.3000115.4F25 S29 Y141 C146F25-Y27 PolarHBondContact O-N 3.37Å; Y27-S29 PolarHBondContact O-N 3.29Å; Y27-S29 VanDerWaalsContact O-N 3.11Å; Y27-Y141 HydrophobicContact CD1-CE1 4.26Å; Y27-Y141 HydrophobicContact CD1-CE2 4.16Å; Y27-Y141 HydrophobicContact CD2-CD1 4.4Å; Y27-Y141 HydrophobicContact CD2-CE1 4.46Å; Y27-Y141 HydrophobicContact CE1-CD1 4.2Å; Y27-Y141 AromaticContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CE1 4.23Å; Y27-Y141 AromaticContact CE1-CE2 3.71Å; Y27-Y141 HydrophobicContact CE1-CE2 3.71Å; Y27-Y141 AromaticContact CE1-CG 3.94Å; Y27-Y141 HydrophobicContact CE1-CG 3.94Å; Y27-Y141 AromaticContact CE1-CZ 3.98Å; Y27-Y141 AromaticContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CE1 4.44Å; Y27-Y141 HydrophobicContact CE2-CG 4.1Å; Y27-Y141 HydrophobicContact CG-CE1 4.38Å; Y27-Y141 AromaticContact CZ-CD1 3.88Å; Y27-Y141 AromaticContact CZ-CD2 3.79Å; Y27-Y141 AromaticContact CZ-CG 3.58Å; Y27-Y141 WeakPolarHBondContact OH-CB 3.45Å; Y27-C146 HydrophobicContact CE2-CB 4.12Å
28D85.9Confident82.9Confident33 Ų3364.5 Ų64.518%0.17635%0.349CS..  trans-67.2111.8179.8-168.2-16.9000112.1F25 C26 A30 Y31 A32 L134F25-D28 HydrophobicContact CB-CB 4.18Å; F25-D28 PolarHBondContact O-N 2.85Å; C26-D28 PolarHBondContact O-N 3.12Å; C26-D28 VanDerWaalsContact O-N 3.16Å; D28-A30 PolarHBondContact O-N 2.78Å; D28-A30 VanDerWaalsContact OD1-CB 3.23Å; D28-A30 WeakPolarHBondContact OD1-CB 3Å; D28-A30 PolarHBondContact OD1-N 2.96Å; D28-Y31 HydrophobicContact CB-CD2 3.97Å; D28-Y31 PolarHBondContact O-N 2.84Å; D28-Y31 VanDerWaalsContact OD2-CD2 3.29Å; D28-Y31 WeakPolarHBondContact OD2-CD2 3.1Å; D28-Y31 VanDerWaalsContact OD2-CE2 3.26Å; D28-Y31 WeakPolarHBondContact OD2-CE2 3.13Å; D28-A32 PolarHBondContact O-N 2.74Å; D28-L134 HydrophobicContact CB-CD1 4.39Å; D28-L134 VanDerWaalsContact O-CD1 3.27Å; D28-L134 WeakPolarHBondContact O-CD1 3.41Å
29S84.8Confident84.3Confident92 Ų9261.9 Ų61.964%0.64334%0.339SS*.THydrogen-bonded Turntrans-63.7-20.7179.169.10000113.9Y27 Y31Y27-S29 PolarHBondContact O-N 3.29Å; Y27-S29 VanDerWaalsContact O-N 3.11Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.17Å
30A86.9Confident85.2Confident45 Ų4561.6 Ų61.637%0.37235%0.346SS..THydrogen-bonded Turntrans-67.3-33176.700000112.1D28D28-A30 PolarHBondContact O-N 2.78Å; D28-A30 VanDerWaalsContact OD1-CB 3.23Å; D28-A30 WeakPolarHBondContact OD1-CB 3Å; D28-A30 PolarHBondContact OD1-N 2.96Å
31Y88.5Confident85.8Confident37 Ų3759.6 Ų59.615%0.14535%0.352CS..SBendtrans-104.53.3-177.5-57.7-62.2000114.1D28 S29 P129 T130 P131 H132 F133 L134 H237D28-Y31 HydrophobicContact CB-CD2 3.97Å; D28-Y31 PolarHBondContact O-N 2.84Å; D28-Y31 VanDerWaalsContact OD2-CD2 3.29Å; D28-Y31 WeakPolarHBondContact OD2-CD2 3.1Å; D28-Y31 VanDerWaalsContact OD2-CE2 3.26Å; D28-Y31 WeakPolarHBondContact OD2-CE2 3.13Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.17Å; Y31-P129 HydrophobicContact CD1-CB 4.19Å; Y31-P129 HydrophobicContact CD1-CG 4.19Å; Y31-P129 HydrophobicContact CE1-CB 4.14Å; Y31-P129 HydrophobicContact CE1-CG 3.7Å; Y31-T130 WeakPolarHBondContact CD1-O 3.47Å; Y31-P131 CarbonylContact C-O 3.2Å; Y31-P131 WeakPolarHBondContact CA-O 3.28Å; Y31-H132 CarbonylContact O-C 2.93Å; Y31-F133 PolarHBondContact O-N 2.89Å; Y31-L134 WeakPolarHBondContact O-CB 3.37Å; Y31-L134 PolarHBondContact O-N 3.32Å; Y31-H237 AromaticContact CE1-CE1 3.8Å; Y31-H237 AromaticContact CE1-NE2 3.79Å
32A89.3Confident86.5Confident58 Ų5858.6 Ų58.648%0.47935%0.346SS..  trans-94.219.4-177.700000113.8D28 L134D28-A32 PolarHBondContact O-N 2.74Å; A32-L134 HydrophobicContact CB-CD1 4.32Å
33K92.6Very high86.9Confident82 Ų8261.9 Ų61.936%0.35736%0.356SS..PPolyproline II helixtrans-67.8150.9178.2-57.3-58.8-178.6-170.20111.2P131 H132 S135 Y234K33-P131 HydrophobicContact CB-CB 4.41Å; K33-P131 WeakPolarHBondContact CB-O 3.43Å; K33-P131 HydrophobicContact CG-CB 3.94Å; K33-P131 VanDerWaalsContact CG-O 3.32Å; K33-P131 WeakPolarHBondContact CG-O 3.38Å; K33-P131 PolarHBondContact N-O 3.45Å; K33-H132 WeakPolarHBondContact O-CA 3.49Å; K33-S135 WeakPolarHBondContact O-CB 3.42Å; K33-S135 PolarHBondContact O-OG 3.13Å; K33-Y234 HydrophobicContact CB-CD1 4.16Å; K33-Y234 HydrophobicContact CB-CD2 4.11Å; K33-Y234 HydrophobicContact CB-CG 3.8Å; K33-Y234 HydrophobicContact CD-CD1 4.2Å; K33-Y234 HydrophobicContact CD-CE1 4.16Å; K33-Y234 HydrophobicContact CG-CD1 3.86Å; K33-Y234 HydrophobicContact CG-CE1 4.33Å; K33-Y234 HydrophobicContact CG-CG 4.03Å
34P92.3Very high87.2Confident89 Ų8961.9 Ų61.958%0.57836%0.355SS*.PPolyproline II helixtrans-64.1145.2-178.526.5-35000111.4P36 Y234P34-P36 WeakPolarHBondContact O-CD 3.42Å; P34-Y234 HydrophobicContact CG-CD2 4.44Å; P34-Y234 HydrophobicContact CG-CE2 4.36Å
35Y91.1Very high87.5Confident99 Ų9963.4 Ų63.439%0.38837%0.365SS..PPolyproline II helixtrans-65.3119.9177.5178.4-119.8000110.6G37 H132 S135 V136Y35-G37 VanDerWaalsContact CE1-CA 3.42Å; Y35-G37 PolarHBondContact O-N 3.44Å; Y35-G37 VanDerWaalsContact O-N 3.12Å; Y35-H132 AromaticContact CD2-CD2 3.97Å; Y35-S135 PolarHBondContact N-OG 3.39Å; Y35-V136 HydrophobicContact CD2-CG2 3.45Å; Y35-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y35-V136 HydrophobicContact CE2-CG2 3.91Å; Y35-V136 HydrophobicContact CG-CG2 4.17Å
36P87.8Confident87.7Confident41 Ų4160.3 Ų60.327%0.26635%0.353SS..  trans-77.87.6-175.132.7-37.9000114.1P34 E233 R235P34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-E233 WeakPolarHBondContact CB-O 3.2Å; P36-E233 WeakPolarHBondContact CG-O 3.47Å; P36-R235 HydrophobicContact CG-CG 4.02Å; P36-R235 PolarHBondContact O-NH2 3.04Å
37G89.4Confident88Confident17 Ų1763.7 Ų63.718%0.17538%0.382CS..  trans79.9-177-176.300000114.1Y35 R235Y35-G37 VanDerWaalsContact CE1-CA 3.42Å; Y35-G37 PolarHBondContact O-N 3.44Å; Y35-G37 VanDerWaalsContact O-N 3.12Å; G37-R235 PolarHBondContact O-NH2 3.44Å
38P88.4Confident88.6Confident82 Ų8263.1 Ų63.153%0.53239%0.385SS..  trans-58.1149.8179.5-21.232.4000112.7A40 A41 R235P38-A40 PolarHBondContact O-N 3.26Å; P38-A40 VanDerWaalsContact O-N 3.14Å; P38-A41 PolarHBondContact O-N 3.15Å; P38-R235 PolarHBondContact O-NH2 3.29Å
39E83.7Confident89Confident116 Ų11661.8 Ų61.854%0.54238%0.378SS..G310 helixtrans-59.6-27.2179.6-64.6-167.4162.100113.7A41 S42 P46E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.26Å; E39-S42 WeakPolarHBondContact O-CB 3.31Å; E39-S42 PolarHBondContact O-N 2.77Å; E39-P46 HydrophobicContact CB-CG 4.09Å
40A84.3Confident89.5Confident87 Ų8761.9 Ų61.972%0.71937%0.365SS*.G310 helixtrans-67.2-25176.800000113.6P38P38-A40 PolarHBondContact O-N 3.26Å; P38-A40 VanDerWaalsContact O-N 3.14Å
41A85.2Confident89.9Confident78 Ų7862.2 Ų62.265%0.64537%0.368SS*.G310 helixtrans-90.5-1.5177.800000112.9P38 E39P38-A41 PolarHBondContact O-N 3.15Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.26Å
42S87.4Confident90.2Very high8 Ų865.5 Ų65.56%0.05639%0.387CS..SBendtrans-61.5147.8173.4176.20000110.7E39 A44 P45 R230 E233 R235E39-S42 WeakPolarHBondContact O-CB 3.31Å; E39-S42 PolarHBondContact O-N 2.77Å; S42-A44 PolarHBondContact O-N 2.91Å; S42-A44 PolarHBondContact OG-N 3.13Å; S42-A44 VanDerWaalsContact OG-N 3.11Å; S42-A44 PolarHBondContact OG-O 2.63Å; S42-P45 WeakPolarHBondContact O-CD 3.17Å; S42-R230 PolarHBondContact OG-NH1 3.26Å; S42-E233 WeakPolarHBondContact CA-OE1 3.35Å; S42-E233 PolarHBondContact OG-OE1 3.1Å; S42-E233 PolarHBondContact OG-OE2 2.68Å; S42-R235 PolarHBondContact OG-NH1 3.02Å
43R87.9Confident90.5Very high136 Ų13663 Ų6351%0.51337%0.366SS..SBendtrans-60-25.7168.8-67.5178.5-179.5149.9-1112.4P45 V229 E233R43-P45 WeakPolarHBondContact O-CD 3.28Å; R43-V229 HydrophobicContact CB-CG1 3.98Å; R43-E233 PolarHBondContact N-OE1 3.33Å
44A88.6Confident90.5Very high6 Ų662.4 Ų62.45%0.0537%0.369CS..SBendtrans-118.777.1172.900000109.4S42 I49 V229 R230S42-A44 PolarHBondContact O-N 2.91Å; S42-A44 PolarHBondContact OG-N 3.13Å; S42-A44 VanDerWaalsContact OG-N 3.11Å; S42-A44 PolarHBondContact OG-O 2.63Å; A44-I49 HydrophobicContact CB-CD1 4.16Å; A44-V229 HydrophobicContact CB-CB 4.41Å; A44-V229 HydrophobicContact CB-CG1 3.83Å; A44-R230 PolarHBondContact O-NH1 2.9Å; A44-R230 VanDerWaalsContact O-NH1 3.12Å; A44-R230 PolarHBondContact O-NH2 3.16Å
45P91.6Very high90.6Very high34 Ų3460.6 Ų60.622%0.22136%0.362CS..  trans-68145.2-178.927.6-31000109.9S42 R43 A47 L48 I49S42-P45 WeakPolarHBondContact O-CD 3.17Å; R43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-A47 PolarHBondContact O-N 3.39Å; P45-A47 VanDerWaalsContact O-N 3.11Å; P45-L48 HydrophobicContact CG-CB 3.87Å; P45-L48 WeakPolarHBondContact O-CB 3.33Å; P45-L48 PolarHBondContact O-N 2.83Å; P45-I49 PolarHBondContact O-N 3.07Å
46P90.1Very high90.7Very high23 Ų2357.3 Ų57.315%0.14936%0.358CS..Hα-helixtrans-54.9-34.6-177.9-26.833.8000113.7E39 L48 I49 Y50E39-P46 HydrophobicContact CB-CG 4.09Å; P46-L48 VanDerWaalsContact C-N 3.35Å; P46-L48 PolarHBondContact O-N 3.44Å; P46-I49 PolarHBondContact O-N 2.84Å; P46-Y50 HydrophobicContact CB-CD2 4.31Å; P46-Y50 HydrophobicContact CB-CE2 3.9Å; P46-Y50 WeakPolarHBondContact O-CD2 3.41Å; P46-Y50 PolarHBondContact O-N 3Å
47A91.3Very high90.9Very high76 Ų7655.5 Ų55.563%0.62835%0.346SS*.Hα-helixtrans-59.5-42.917700000112.6P45 A51P45-A47 PolarHBondContact O-N 3.39Å; P45-A47 VanDerWaalsContact O-N 3.11Å; A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.26Å
48L93.7Very high91Very high87 Ų8757.2 Ų57.246%0.45535%0.353SS..Hα-helixtrans-65.2-44.8177.2-179.772.4000110.7P45 P46 A51 L52P45-L48 HydrophobicContact CG-CB 3.87Å; P45-L48 WeakPolarHBondContact O-CB 3.33Å; P45-L48 PolarHBondContact O-N 2.83Å; P46-L48 VanDerWaalsContact C-N 3.35Å; P46-L48 PolarHBondContact O-N 3.44Å; L48-A51 PolarHBondContact O-N 3.48Å; L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 3.41Å
49I94.4Very high91.2Very high4 Ų458 Ų582%0.02135%0.352CS..Hα-helixtrans-62.1-50.6-179.5-67.6158.9000110.4A44 P45 P46 A51 L52 V53 D184 V226 R230A44-I49 HydrophobicContact CB-CD1 4.16Å; P45-I49 PolarHBondContact O-N 3.07Å; P46-I49 PolarHBondContact O-N 2.84Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.31Å; I49-L52 PolarHBondContact O-N 3.35Å; I49-V53 HydrophobicContact CG2-CG2 4.19Å; I49-V53 VanDerWaalsContact O-CB 3.27Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 VanDerWaalsContact O-CG2 3.23Å; I49-V53 WeakPolarHBondContact O-CG2 3.3Å; I49-V53 PolarHBondContact O-N 3.37Å; I49-D184 HydrophobicContact CD1-CB 3.93Å; I49-V226 HydrophobicContact CD1-CG1 4.04Å; I49-V226 HydrophobicContact CG1-CG1 4.33Å; I49-R230 VanDerWaalsContact CD1-NH2 3.25Å
50Y94.6Very high91.6Very high94 Ų9454.2 Ų54.237%0.36934%0.337SS..Hα-helixtrans-63.6-38.4178.7-64.1-47.6000112.2P46 T54 K183 L187P46-Y50 HydrophobicContact CB-CD2 4.31Å; P46-Y50 HydrophobicContact CB-CE2 3.9Å; P46-Y50 WeakPolarHBondContact O-CD2 3.41Å; P46-Y50 PolarHBondContact O-N 3Å; Y50-T54 WeakPolarHBondContact O-CB 3.26Å; Y50-T54 VanDerWaalsContact O-CG2 3.32Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.03Å; Y50-T54 PolarHBondContact O-OG1 3.36Å; Y50-K183 WeakPolarHBondContact OH-CE 3.32Å; Y50-K183 PolarHBondContact OH-NZ 3.41Å; Y50-L187 HydrophobicContact CD1-CD1 4.12Å; Y50-L187 HydrophobicContact CE1-CD1 3.52Å
51A95.1Very high91.8Very high52 Ų5250.1 Ų50.143%0.4330%0.304SS..Hα-helixtrans-61.5-47174.800000111.5A47 L48 I49 T54 A55A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 3.26Å; L48-A51 PolarHBondContact O-N 3.48Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.31Å; A51-T54 PolarHBondContact O-N 2.78Å; A51-T54 PolarHBondContact O-OG1 2.97Å; A51-T54 VanDerWaalsContact O-OG1 3.1Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å
52L94.8Very high92Very high107 Ų10750.4 Ų50.456%0.5629%0.294SS*.Hα-helixtrans-68-42179.5-70.4173.4000112.7L48 I49 T54 G56L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.42Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 3.41Å; I49-L52 PolarHBondContact O-N 3.35Å; L52-T54 PolarHBondContact O-N 3.02Å; L52-G56 WeakPolarHBondContact O-CA 3.41Å; L52-G56 PolarHBondContact O-N 2.96Å
53V96Very high92Very high6 Ų654.3 Ų54.34%0.03631%0.314CS..Hα-helixtrans-65-28.6178.1164.60000111.6I49 P57 Y108 L112 L187 A191I49-V53 HydrophobicContact CG2-CG2 4.19Å; I49-V53 VanDerWaalsContact O-CB 3.27Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 VanDerWaalsContact O-CG2 3.23Å; I49-V53 WeakPolarHBondContact O-CG2 3.3Å; I49-V53 PolarHBondContact O-N 3.37Å; V53-P57 VanDerWaalsContact O-CD 3.23Å; V53-P57 WeakPolarHBondContact O-CD 3.49Å; V53-P57 WeakPolarHBondContact O-CG 3.32Å; V53-Y108 WeakPolarHBondContact CG1-OH 3.49Å; V53-Y108 PolarHBondContact O-OH 3.25Å; V53-L112 HydrophobicContact CG1-CD1 3.35Å; V53-L112 HydrophobicContact CG1-CD2 4.29Å; V53-L112 HydrophobicContact CG1-CG 4.47Å; V53-L187 HydrophobicContact CG2-CB 4.4Å; V53-A191 HydrophobicContact CB-CB 4.34Å; V53-A191 HydrophobicContact CG1-CB 4.09Å; V53-A191 HydrophobicContact CG2-CB 4.09Å
54T93.9Very high91.9Very high68 Ų6847.9 Ų47.942%0.41729%0.289SS..Hα-helixtrans-90.7-48176.6530000112.2Y50 A51 L52 T58 L112Y50-T54 WeakPolarHBondContact O-CB 3.26Å; Y50-T54 VanDerWaalsContact O-CG2 3.32Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.03Å; Y50-T54 PolarHBondContact O-OG1 3.36Å; A51-T54 PolarHBondContact O-N 2.78Å; A51-T54 PolarHBondContact O-OG1 2.97Å; A51-T54 VanDerWaalsContact O-OG1 3.1Å; L52-T54 PolarHBondContact O-N 3.02Å; T54-T58 WeakPolarHBondContact O-CB 3.35Å; T54-T58 WeakPolarHBondContact O-CG2 3.31Å; T54-T58 PolarHBondContact O-N 3.12Å; T54-T58 PolarHBondContact O-OG1 3.42Å; T54-L112 HydrophobicContact CG2-CD2 4.36Å
55A94Very high91.7Very high51 Ų5148.5 Ų48.542%0.42129%0.291SS..Hα-helixtrans-73-38-176.300000113.4A51 T58 L59A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å; A55-T58 VanDerWaalsContact C-OG1 3.3Å; A55-T58 VanDerWaalsContact CA-OG1 3.23Å; A55-T58 WeakPolarHBondContact CA-OG1 3.32Å; A55-T58 PolarHBondContact O-OG1 3.49Å; A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.94Å
56G92.6Very high91.4Very high30 Ų3050.7 Ų50.731%0.30930%0.3SS..Hα-helixtrans-61-57.1-177.500000112.7L52 T58 L59 T60L52-G56 WeakPolarHBondContact O-CA 3.41Å; L52-G56 PolarHBondContact O-N 2.96Å; G56-T58 PolarHBondContact O-N 3.48Å; G56-L59 PolarHBondContact O-N 3.25Å; G56-T60 WeakPolarHBondContact O-CB 3.47Å; G56-T60 VanDerWaalsContact O-CG2 3.28Å; G56-T60 WeakPolarHBondContact O-CG2 2.88Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 2.96Å
57P92.4Very high91.1Very high3 Ų351 Ų512%0.01931%0.305CS..Hα-helixtrans-63.9-37.8178.5-27.239.5000113V53 T60 I61 Y108 A191 T195V53-P57 VanDerWaalsContact O-CD 3.23Å; V53-P57 WeakPolarHBondContact O-CD 3.49Å; V53-P57 WeakPolarHBondContact O-CG 3.32Å; P57-T60 VanDerWaalsContact CA-OG1 3.28Å; P57-T60 WeakPolarHBondContact CA-OG1 3.47Å; P57-T60 PolarHBondContact O-OG1 3.33Å; P57-I61 WeakPolarHBondContact O-CB 3.35Å; P57-I61 VanDerWaalsContact O-CD1 3.32Å; P57-I61 WeakPolarHBondContact O-CD1 3.34Å; P57-I61 WeakPolarHBondContact O-CG1 3.29Å; P57-I61 PolarHBondContact O-N 3Å; P57-Y108 HydrophobicContact CB-CD1 4.22Å; P57-Y108 HydrophobicContact CB-CD2 4.31Å; P57-Y108 HydrophobicContact CB-CE1 3.86Å; P57-Y108 HydrophobicContact CB-CE2 3.97Å; P57-Y108 HydrophobicContact CB-CG 4.44Å; P57-Y108 HydrophobicContact CG-CE1 4.01Å; P57-Y108 HydrophobicContact CG-CE2 3.9Å; P57-Y108 WeakPolarHBondContact CG-OH 3.32Å; P57-A191 HydrophobicContact CG-CB 4.16Å; P57-T195 WeakPolarHBondContact CG-OG1 3.2Å
58T91.8Very high90.4Very high53 Ų5352.2 Ų52.233%0.32529%0.293SS..Hα-helixtrans-64.4-46.4176.847.50000112T54 A55 G56 I61 L62 L105T54-T58 WeakPolarHBondContact O-CB 3.35Å; T54-T58 WeakPolarHBondContact O-CG2 3.31Å; T54-T58 PolarHBondContact O-N 3.12Å; T54-T58 PolarHBondContact O-OG1 3.42Å; A55-T58 VanDerWaalsContact C-OG1 3.3Å; A55-T58 VanDerWaalsContact CA-OG1 3.23Å; A55-T58 WeakPolarHBondContact CA-OG1 3.32Å; A55-T58 PolarHBondContact O-OG1 3.49Å; G56-T58 PolarHBondContact O-N 3.48Å; T58-I61 PolarHBondContact O-N 3.45Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.36Å; T58-L105 HydrophobicContact CG2-CD1 3.5Å; T58-L105 VanDerWaalsContact CG2-CD1 3.5Å; T58-L105 HydrophobicContact CG2-CD2 4.43Å
59L92.6Very high89.6Confident98 Ų9851.6 Ų51.651%0.51330%0.301SS..Hα-helixtrans-65.2-43.4178.4-176.263.7000111.6A55 G56 I61 L62 L63A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.94Å; G56-L59 PolarHBondContact O-N 3.25Å; L59-I61 PolarHBondContact O-N 2.87Å; L59-L62 PolarHBondContact O-N 2.91Å; L59-L63 HydrophobicContact CD1-CD1 4.27Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.95Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.48Å
60T90.4Very high89Confident37 Ų3758.7 Ų58.723%0.22733%0.332CS..Hα-helixtrans-65.2-37.8178.451.60000112.4G56 P57 G64 T195G56-T60 WeakPolarHBondContact O-CB 3.47Å; G56-T60 VanDerWaalsContact O-CG2 3.28Å; G56-T60 WeakPolarHBondContact O-CG2 2.88Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 2.96Å; P57-T60 VanDerWaalsContact CA-OG1 3.28Å; P57-T60 WeakPolarHBondContact CA-OG1 3.47Å; P57-T60 PolarHBondContact O-OG1 3.33Å; T60-G64 PolarHBondContact O-N 3.04Å; T60-T195 HydrophobicContact CG2-CG2 3.88Å; T60-T195 WeakPolarHBondContact OG1-CG2 3.42Å
61I89.7Confident88.1Confident2 Ų262.1 Ų62.11%0.0135%0.349CS..Hα-helixtrans-65.6-47.6174.1-65.2162.9000110.2P57 T58 L59 L63 G64 E65 L101 F104 Y194 Y198P57-I61 WeakPolarHBondContact O-CB 3.35Å; P57-I61 VanDerWaalsContact O-CD1 3.32Å; P57-I61 WeakPolarHBondContact O-CD1 3.34Å; P57-I61 WeakPolarHBondContact O-CG1 3.29Å; P57-I61 PolarHBondContact O-N 3Å; T58-I61 PolarHBondContact O-N 3.45Å; L59-I61 PolarHBondContact O-N 2.87Å; I61-L63 PolarHBondContact O-N 3.48Å; I61-G64 PolarHBondContact O-N 2.74Å; I61-G64 VanDerWaalsContact O-N 3.16Å; I61-E65 PolarHBondContact O-N 3.07Å; I61-L101 HydrophobicContact CB-CD1 4.42Å; I61-L101 HydrophobicContact CG2-CD1 3.52Å; I61-F104 HydrophobicContact CD1-CB 4.15Å; I61-F104 HydrophobicContact CG2-CB 4.36Å; I61-Y194 HydrophobicContact CD1-CE1 4.43Å; I61-Y198 HydrophobicContact CB-CE1 4.31Å; I61-Y198 HydrophobicContact CG1-CD1 4.18Å; I61-Y198 HydrophobicContact CG1-CD2 4.34Å; I61-Y198 HydrophobicContact CG1-CE1 3.99Å; I61-Y198 HydrophobicContact CG1-CE2 4.14Å; I61-Y198 HydrophobicContact CG1-CG 4.35Å; I61-Y198 HydrophobicContact CG2-CE2 4.33Å; I61-Y198 PolarHBondContact O-OH 2.96Å
62L88.9Confident86.8Confident83 Ų8364.6 Ų64.644%0.43536%0.361SS..Hα-helixtrans-59.2-47178.7-17863.9000112T58 L59 G64 E65 L66T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.36Å; L59-L62 PolarHBondContact O-N 2.91Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.49Å; L62-E65 PolarHBondContact O-N 2.92Å; L62-L66 HydrophobicContact CG-CD1 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.38Å
63L88.3Confident85.2Confident91 Ų9162.7 Ų62.748%0.47636%0.36SS..Hα-helixtrans-62.7-38.2175.9-72.7173.3000111.9L59 I61 L66 A67L59-L63 HydrophobicContact CD1-CD1 4.27Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.95Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.48Å; I61-L63 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.12Å; L63-A67 WeakPolarHBondContact O-CB 3.46Å; L63-A67 PolarHBondContact O-N 3.35Å
64G85.3Confident83.1Confident0 Ų065.8 Ų65.80%038%0.38CS..Hα-helixtrans-62.6-40.4175.300000112.9T60 I61 L62 R68T60-G64 PolarHBondContact O-N 3.04Å; I61-G64 PolarHBondContact O-N 2.74Å; I61-G64 VanDerWaalsContact O-N 3.16Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.49Å; G64-R68 WeakPolarHBondContact O-CB 3.27Å; G64-R68 PolarHBondContact O-N 3.32Å; G64-R68 VanDerWaalsContact O-N 3.11Å
65E85Confident81.1Confident20 Ų2069.3 Ų69.39%0.09340%0.404CS..Hα-helixtrans-71.6-41.5176.3-66.9-56.9133.800112.1I61 L62 R68 A69 R100I61-E65 PolarHBondContact O-N 3.07Å; L62-E65 PolarHBondContact O-N 2.92Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-A69 PolarHBondContact O-N 2.89Å; E65-R100 VanDerWaalsContact CD-CD 3.5Å; E65-R100 WeakPolarHBondContact OE1-CD 3.12Å; E65-R100 WeakPolarHBondContact OE1-CG 3.32Å; E65-R100 WeakPolarHBondContact OE2-CD 3.42Å
66L84.6Confident78.7Confident79 Ų7972 Ų7241%0.41442%0.42SS..Hα-helixtrans-60.4-48.5173.6-73170.8000111L62 L63 R68 A69 F70L62-L66 HydrophobicContact CG-CD1 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.38Å; L63-L66 PolarHBondContact O-N 3.12Å; L66-R68 PolarHBondContact O-N 3.07Å; L66-A69 WeakPolarHBondContact O-CB 3.38Å; L66-A69 PolarHBondContact O-N 2.89Å; L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CE2 4.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 3.22Å
67A82.9Confident76.4Confident29 Ų2973.3 Ų73.324%0.2443%0.425CS..Hα-helixtrans-58.1-37.4177.400000111.8L63 F70 F71 F203L63-A67 WeakPolarHBondContact O-CB 3.46Å; L63-A67 PolarHBondContact O-N 3.35Å; A67-F70 PolarHBondContact O-N 2.95Å; A67-F71 WeakPolarHBondContact O-CB 3.2Å; A67-F71 WeakPolarHBondContact O-CD2 3.2Å; A67-F71 PolarHBondContact O-N 3.03Å; A67-F203 HydrophobicContact CB-CE1 4.25Å
68R77.4Confident73.9Confident102 Ų10276.8 Ų76.839%0.38545%0.449SS..Hα-helixtrans-70.3-31.4176.2-161.6179.8-172.5896.1113.1G64 E65 L66G64-R68 WeakPolarHBondContact O-CB 3.27Å; G64-R68 PolarHBondContact O-N 3.32Å; G64-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 PolarHBondContact O-N 3.4Å; L66-R68 PolarHBondContact O-N 3.07Å
69A77.1Confident71.6Confident74 Ų7480 Ų8061%0.61247%0.47SS*.Hα-helixtrans-71.7-40.1174.900000112E65 L66E65-A69 PolarHBondContact O-N 2.89Å; L66-A69 WeakPolarHBondContact O-CB 3.38Å; L66-A69 PolarHBondContact O-N 2.89Å
70F81.1Confident69.6Low154 Ų15479.9 Ų79.968%0.67547%0.474SS*.Hα-helixtrans-79.9-29.7178.9-71.8-69.3000113.9L66 A67 P72L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.41Å; L66-F70 HydrophobicContact CD2-CE2 4.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 3.22Å; A67-F70 PolarHBondContact O-N 2.95Å; F70-P72 VanDerWaalsContact C-CD 3.49Å; F70-P72 WeakPolarHBondContact O-CD 3.39Å
71F77.1Confident67.3Low166 Ų16682.5 Ų82.573%0.72849%0.494SS*.SBendtrans-120.377.5178.6-58-76.6000111.1A67 A73A67-F71 WeakPolarHBondContact O-CB 3.2Å; A67-F71 WeakPolarHBondContact O-CD2 3.2Å; A67-F71 PolarHBondContact O-N 3.03Å; F71-A73 PolarHBondContact O-N 3.47Å
72P67.3Low65.1Low104 Ų10485.7 Ų85.768%0.67553%0.527SS*.PPolyproline II helixtrans-59.2123.8173.5-1829.7000109.7F70F70-P72 VanDerWaalsContact C-CD 3.49Å; F70-P72 WeakPolarHBondContact O-CD 3.39Å
73A60.2Low63Low66 Ų6687 Ų8755%0.54553%0.531SS..PPolyproline II helixtrans-62.8140.4173.600000109.7F71F71-A73 PolarHBondContact O-N 3.47Å
74P52.9Low60.7Low72 Ų7286.6 Ų86.647%0.46854%0.536SS..PPolyproline II helixtrans-58.3150.6175.522.4-31.6000110.8S76P74-S76 PolarHBondContact O-N 3.16Å
75P50.5Low58.6Low142 Ų14292.1 Ų92.192%0.92257%0.57SS**THydrogen-bonded Turntrans-64.78.4-166.223.1-33.4000116.6
76S45Very low56.6Low107 Ų10797 Ų9775%0.74860%0.595SS**THydrogen-bonded Turntrans-107.56.5-170.160.50000116.1P74P74-S76 PolarHBondContact O-N 3.16Å
77S44.5Very low54.9Low58 Ų5899.2 Ų99.241%0.40661%0.611SS.*SBendtrans-132.296.1172.766.10000111.6
78S40Very low53Low76 Ų76102.2 Ų102.253%0.53163%0.631SS.*  trans54.2106.8173.859.10000114.6V80S78-V80 PolarHBondContact O-N 2.86Å
79P43.6Very low51.5Low119 Ų119100 Ų10077%0.77364%0.64SS**  trans-60.3112.815428.1-27.1000104.5S81P79-S81 PolarHBondContact O-N 2.76Å
80V49.7Very low50.4Low96 Ų96101.8 Ų101.858%0.58266%0.655SS**  trans-60.995.9149173.60000102S78 G82S78-V80 PolarHBondContact O-N 2.86Å; V80-G82 PolarHBondContact O-N 3.02Å
81S42.9Very low49.2Very low93 Ų93100.4 Ų100.465%0.6566%0.663SS**  trans-28.3127.6-173-168.20000109P79 E83P79-S81 PolarHBondContact O-N 2.76Å; S81-E83 PolarHBondContact O-N 2.79Å
82G42.2Very low48.4Very low69 Ų6996.8 Ų96.871%0.71166%0.657SS**  trans-46.8102.616700000106.5V80 S84V80-G82 PolarHBondContact O-N 3.02Å; G82-S84 PolarHBondContact O-N 3.04Å
83E44.5Very low48.2Very low109 Ų109103.7 Ų103.751%0.50967%0.67SS.*  trans-64.1102.4179.3-170179155.100102.5S81 T85 R99S81-E83 PolarHBondContact O-N 2.79Å; E83-T85 PolarHBondContact O-N 2.72Å; E83-R99 WeakPolarHBondContact OE1-CD 3.25Å; E83-R99 IonicContact OE1-CZ 2.76Å; E83-R99 IonicContact OE1-NE 3.78Å; E83-R99 IonicContact OE1-NH1 3.64Å; E83-R99 PolarHBondContact OE1-NH1 2.75Å; E83-R99 VanDerWaalsContact OE2-CD 3.29Å; E83-R99 WeakPolarHBondContact OE2-CD 3.29Å
84S41.2Very low48.4Very low83 Ų83106.3 Ų106.358%0.5867%0.669SS**  trans-45.8122.1178.740.70000105.7G82 I86G82-S84 PolarHBondContact O-N 3.04Å; S84-I86 VanDerWaalsContact C-N 3.26Å; S84-I86 PolarHBondContact O-N 2.72Å
85T40.3Very low49.4Very low117 Ų117105.6 Ų105.672%0.71867%0.666SS**  trans-4692.9178.642.30000109E83 V87E83-T85 PolarHBondContact O-N 2.72Å; T85-V87 PolarHBondContact O-N 3Å
86I43.3Very low50.6Low123 Ų123104 Ų10463%0.63166%0.655SS**  trans-70.5100.7163.9-51.7179.7000103.3S84 S88S84-I86 VanDerWaalsContact C-N 3.26Å; S84-I86 PolarHBondContact O-N 2.72Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.41Å
87V49.5Very low52.1Low124 Ų124102 Ų10275%0.75264%0.64SS**  trans-54.192172.7177.40000107.2T85T85-V87 PolarHBondContact O-N 3Å
88S43.3Very low53.8Low92 Ų92102.8 Ų102.864%0.64364%0.639SS**  trans-95.790.6165.9-161.70000106.6I86I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.41Å
89G45.6Very low55.7Low57 Ų57103.3 Ų103.359%0.58863%0.629SS**SBendtrans67.9127.1170.900000115.4C91G89-C91 PolarHBondContact O-N 3.48Å
90A53.2Low57.4Low110 Ų110100.7 Ų100.791%0.90960%0.604SS**THydrogen-bonded Turntrans-64.189.7174.600000111.7
91C57.3Low59.1Low125 Ų12598.3 Ų98.385%0.84559%0.588SS**THydrogen-bonded Turntrans-178-20.4144-1480000114G89G89-C91 PolarHBondContact O-N 3.48Å
92C60.2Low61.2Low91 Ų9198.4 Ų98.462%0.61559%0.585SS**  trans-121.7102.3-171.7-57.10000111.7F94C92-F94 PolarHBondContact O-N 3.07Å
93R61.9Low63.3Low248 Ų24899.2 Ų99.294%0.93657%0.566SS**  trans-71.8105.8164.5-77-169.3-178.2109.6-2.1108.3S95R93-S95 PolarHBondContact O-N 2.99Å
94F64.6Low65.4Low121 Ų12195.3 Ų95.353%0.53155%0.547SS..  trans-62.6129.5168-71-79.4000109.5C92 L98C92-F94 PolarHBondContact O-N 3.07Å; F94-L98 HydrophobicContact CD1-CD2 3.93Å
95S74.9Confident67.8Low58 Ų5894 Ų9441%0.40653%0.533SS..  trans-62.1136.6174.463.80000109.3R93 P97 L98 R99R93-S95 PolarHBondContact O-N 2.99Å; S95-P97 VanDerWaalsContact C-N 3.31Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact OG-CB 3.32Å; S95-L98 WeakPolarHBondContact OG-CB 3.45Å; S95-R99 PolarHBondContact O-N 2.95Å
96P74.8Confident70.2Confident108 Ų10890.3 Ų90.370%0.70152%0.519SS*.Hα-helixtrans-47-40.5176-28.935.2000115.8R100P96-R100 PolarHBondContact O-N 3.33Å
97P76Confident72.5Confident65 Ų6585.4 Ų85.442%0.42250%0.495SS..Hα-helixtrans-67.3-35.4176.725.6-35.8000113.2S95 R99 R100 L101S95-P97 VanDerWaalsContact C-N 3.31Å; P97-R99 PolarHBondContact O-N 2.8Å; P97-R100 PolarHBondContact O-N 3.43Å; P97-L101 WeakPolarHBondContact O-CB 3.31Å; P97-L101 PolarHBondContact O-N 3.46Å
98L80Confident74.7Confident75 Ų7579.7 Ų79.739%0.39346%0.46SS..Hα-helixtrans-65.5-40.8179.9-178.663.4000111.6F94 S95 R100 L101 V102F94-L98 HydrophobicContact CD1-CD2 3.93Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact OG-CB 3.32Å; S95-L98 WeakPolarHBondContact OG-CB 3.45Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.48Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-V102 HydrophobicContact CD1-CG2 4.43Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.43Å
99R80.1Confident77.2Confident86 Ų8678.3 Ų78.333%0.32545%0.45SS..Hα-helixtrans-59.2-43.4174.9-177.4-174-62.4-123.8-5111.6E83 S95 P97 R103E83-R99 WeakPolarHBondContact OE1-CD 3.25Å; E83-R99 IonicContact OE1-CZ 2.76Å; E83-R99 IonicContact OE1-NE 3.78Å; E83-R99 IonicContact OE1-NH1 3.64Å; E83-R99 PolarHBondContact OE1-NH1 2.75Å; E83-R99 VanDerWaalsContact OE2-CD 3.29Å; E83-R99 WeakPolarHBondContact OE2-CD 3.29Å; S95-R99 PolarHBondContact O-N 2.95Å; P97-R99 PolarHBondContact O-N 2.8Å; R99-R103 WeakPolarHBondContact O-CB 3.17Å; R99-R103 PolarHBondContact O-N 2.84Å
100R80.3Confident79.5Confident65 Ų6581.4 Ų81.425%0.24545%0.448CS..Hα-helixtrans-67.8-43.6179.9-176.9173.7-75.7-170.94.2111.8E65 P96 P97 L98 R103 F104E65-R100 VanDerWaalsContact CD-CD 3.5Å; E65-R100 WeakPolarHBondContact OE1-CD 3.12Å; E65-R100 WeakPolarHBondContact OE1-CG 3.32Å; E65-R100 WeakPolarHBondContact OE2-CD 3.42Å; P96-R100 PolarHBondContact O-N 3.33Å; P97-R100 PolarHBondContact O-N 3.43Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 3.48Å; R100-R103 PolarHBondContact O-N 3.19Å; R100-F104 HydrophobicContact CG-CD2 3.53Å; R100-F104 HydrophobicContact CG-CE2 3.32Å; R100-F104 VanDerWaalsContact O-CD2 3.26Å; R100-F104 WeakPolarHBondContact O-CD2 3.27Å; R100-F104 PolarHBondContact O-N 3.27Å
101L85.1Confident81.6Confident45 Ų4576.2 Ų76.224%0.23640%0.404CS..Hα-helixtrans-57.6-50.3174.8-177.466.2000111.1I61 P97 L98 R103 F104 L105I61-L101 HydrophobicContact CB-CD1 4.42Å; I61-L101 HydrophobicContact CG2-CD1 3.52Å; P97-L101 WeakPolarHBondContact O-CB 3.31Å; P97-L101 PolarHBondContact O-N 3.46Å; L98-L101 PolarHBondContact O-N 2.89Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.42Å; L101-F104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.12Å; L101-L105 PolarHBondContact O-N 3.46Å
102V86.6Confident83.4Confident96 Ų9671.8 Ų71.858%0.58237%0.372SS*.Hα-helixtrans-59.8-40.4178.5170.80000111.3L98 G106L98-V102 HydrophobicContact CD1-CG2 4.43Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.43Å; V102-G106 WeakPolarHBondContact O-CA 3.43Å; V102-G106 PolarHBondContact O-N 3.25Å
103R86.4Confident85.1Confident85 Ų8573.8 Ų73.832%0.32137%0.371SS..Hα-helixtrans-65.7-50178.1179.2172.3162.9-173.6-14.4112.3R99 R100 L101 V107 V260 F263R99-R103 WeakPolarHBondContact O-CB 3.17Å; R99-R103 PolarHBondContact O-N 2.84Å; R100-R103 PolarHBondContact O-N 3.19Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.42Å; R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.33Å; R103-V107 PolarHBondContact O-N 2.86Å; R103-V107 VanDerWaalsContact O-N 3.12Å; R103-V260 PolarHBondContact NH2-O 2.96Å; R103-F263 VanDerWaalsContact CZ-CB 3.44Å
104F88.8Confident86.7Confident27 Ų2763.3 Ų63.312%0.11833%0.334CS..Hα-helixtrans-69.2-40.4-179.2-74.7-61.7000112.4I61 R100 L101 Y108 Y194 Y198 V260I61-F104 HydrophobicContact CD1-CB 4.15Å; I61-F104 HydrophobicContact CG2-CB 4.36Å; R100-F104 HydrophobicContact CG-CD2 3.53Å; R100-F104 HydrophobicContact CG-CE2 3.32Å; R100-F104 VanDerWaalsContact O-CD2 3.26Å; R100-F104 WeakPolarHBondContact O-CD2 3.27Å; R100-F104 PolarHBondContact O-N 3.27Å; L101-F104 PolarHBondContact O-N 3.38Å; F104-Y108 VanDerWaalsContact O-CB 3.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.26Å; F104-Y108 PolarHBondContact O-N 3.25Å; F104-Y194 PolarHBondContact O-OH 2.94Å; F104-Y198 HydrophobicContact CD1-CD2 4.11Å; F104-Y198 HydrophobicContact CD1-CE2 4.35Å; F104-Y198 HydrophobicContact CD2-CD2 4.38Å; F104-Y198 AromaticContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CE1-CD2 4.16Å; F104-Y198 HydrophobicContact CE1-CE2 4.41Å; F104-Y198 HydrophobicContact CE2-CD2 4.42Å; F104-Y198 AromaticContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CG-CD2 4.24Å; F104-Y198 HydrophobicContact CG-CE2 4.07Å; F104-Y198 HydrophobicContact CZ-CD2 4.33Å; F104-Y198 HydrophobicContact CZ-CE2 4.2Å; F104-V260 HydrophobicContact CE1-CG1 3.89Å
105L91Very high88.2Confident55 Ų5557.5 Ų57.529%0.28831%0.309SS..Hα-helixtrans-71-38.6178.7-169.758.8000111.3T58 L101 Y108 S109T58-L105 HydrophobicContact CG2-CD1 3.5Å; T58-L105 VanDerWaalsContact CG2-CD1 3.5Å; T58-L105 HydrophobicContact CG2-CD2 4.43Å; L101-L105 WeakPolarHBondContact O-CB 3.12Å; L101-L105 PolarHBondContact O-N 3.46Å; L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.44Å; L105-Y108 PolarHBondContact O-N 2.82Å; L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.03Å; L105-S109 PolarHBondContact O-OG 3.18Å; L105-S109 VanDerWaalsContact O-OG 3.07Å
106G91.6Very high89.2Confident40 Ų4056.8 Ų56.841%0.41230%0.302SS..Hα-helixtrans-61.8-45.4175.700000112.8V102 Y108 S109 F110V102-G106 WeakPolarHBondContact O-CA 3.43Å; V102-G106 PolarHBondContact O-N 3.25Å; G106-Y108 VanDerWaalsContact C-N 3.33Å; G106-S109 PolarHBondContact O-N 3.47Å; G106-F110 WeakPolarHBondContact O-CB 3.42Å; G106-F110 PolarHBondContact O-N 3Å
107V92.1Very high90.2Very high20 Ų2055.6 Ų55.612%0.12129%0.289CS..Hα-helixtrans-64.6-39.6175176.20000111.1R103 F110 G111 Y194 L255 V259 V260R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.33Å; R103-V107 PolarHBondContact O-N 2.86Å; R103-V107 VanDerWaalsContact O-N 3.12Å; V107-F110 PolarHBondContact O-N 3.27Å; V107-G111 PolarHBondContact O-N 2.76Å; V107-Y194 HydrophobicContact CG1-CE2 4.15Å; V107-L255 HydrophobicContact CG1-CB 4.31Å; V107-V259 HydrophobicContact CG2-CG1 4.04Å; V107-V260 HydrophobicContact CG1-CG2 4.08Å
108Y94.6Very high91.1Very high4 Ų458.3 Ų58.32%0.01629%0.294CS..Hα-helixtrans-61.8-50.2176.2-178.9-107.3000112.2V53 P57 F104 L105 G106 F110 G111 L112 Y190 A191 Y194V53-Y108 WeakPolarHBondContact CG1-OH 3.49Å; V53-Y108 PolarHBondContact O-OH 3.25Å; P57-Y108 HydrophobicContact CB-CD1 4.22Å; P57-Y108 HydrophobicContact CB-CD2 4.31Å; P57-Y108 HydrophobicContact CB-CE1 3.86Å; P57-Y108 HydrophobicContact CB-CE2 3.97Å; P57-Y108 HydrophobicContact CB-CG 4.44Å; P57-Y108 HydrophobicContact CG-CE1 4.01Å; P57-Y108 HydrophobicContact CG-CE2 3.9Å; P57-Y108 WeakPolarHBondContact CG-OH 3.32Å; F104-Y108 VanDerWaalsContact O-CB 3.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.26Å; F104-Y108 PolarHBondContact O-N 3.25Å; L105-Y108 HydrophobicContact CD1-CD1 4.31Å; L105-Y108 WeakPolarHBondContact O-CB 3.44Å; L105-Y108 PolarHBondContact O-N 2.82Å; G106-Y108 VanDerWaalsContact C-N 3.33Å; Y108-F110 VanDerWaalsContact C-N 3.33Å; Y108-F110 PolarHBondContact O-N 3.11Å; Y108-G111 PolarHBondContact O-N 3.16Å; Y108-L112 HydrophobicContact CE1-CD2 4.48Å; Y108-L112 WeakPolarHBondContact O-CB 3.21Å; Y108-L112 PolarHBondContact O-N 3.02Å; Y108-Y190 WeakPolarHBondContact CA-OH 3.46Å; Y108-Y190 AromaticContact CD2-CE1 3.63Å; Y108-Y190 HydrophobicContact CD2-CE1 3.63Å; Y108-Y190 AromaticContact CE2-CD1 3.88Å; Y108-Y190 HydrophobicContact CE2-CD1 3.88Å; Y108-Y190 AromaticContact CE2-CE1 3.32Å; Y108-Y190 HydrophobicContact CE2-CE1 3.32Å; Y108-Y190 PolarHBondContact O-OH 3.03Å; Y108-A191 WeakPolarHBondContact OH-CB 3.47Å; Y108-Y194 AromaticContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD1 3.5Å; Y108-Y194 VanDerWaalsContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD2 4.35Å; Y108-Y194 AromaticContact CD2-CE1 3.88Å; Y108-Y194 HydrophobicContact CD2-CE1 3.88Å; Y108-Y194 AromaticContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CE2-CD1 4.25Å; Y108-Y194 HydrophobicContact CE2-CG 4.37Å; Y108-Y194 HydrophobicContact CG-CD1 4.28Å; Y108-Y194 HydrophobicContact CG-CE1 4.23Å
109S95.6Very high91.7Very high63 Ų6354.8 Ų54.844%0.44128%0.276SS..Hα-helixtrans-61.3-41.3178.3-62.50000112L105 G106 L112 F113L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.03Å; L105-S109 PolarHBondContact O-OG 3.18Å; L105-S109 VanDerWaalsContact O-OG 3.07Å; G106-S109 PolarHBondContact O-N 3.47Å; S109-L112 PolarHBondContact O-N 2.85Å; S109-F113 WeakPolarHBondContact O-CB 3.48Å; S109-F113 PolarHBondContact O-N 2.75Å
110F95.3Very high92.4Very high123 Ų12353.9 Ų53.954%0.53928%0.278SS..Hα-helixtrans-60.6-46175.7174-103.7000112G106 V107 Y108 F113 T114 L255G106-F110 WeakPolarHBondContact O-CB 3.42Å; G106-F110 PolarHBondContact O-N 3Å; V107-F110 PolarHBondContact O-N 3.27Å; Y108-F110 VanDerWaalsContact C-N 3.33Å; Y108-F110 PolarHBondContact O-N 3.11Å; F110-F113 PolarHBondContact O-N 3.01Å; F110-T114 WeakPolarHBondContact O-CB 3.41Å; F110-T114 PolarHBondContact O-N 2.96Å; F110-T114 PolarHBondContact O-OG1 2.71Å; F110-L255 HydrophobicContact CD1-CD1 4.36Å; F110-L255 HydrophobicContact CD1-CD2 3.94Å; F110-L255 HydrophobicContact CE1-CD2 3.82Å
111G95.7Very high92.9Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-71.3-32178.400000113.8V107 Y108 T114 T115 Y190V107-G111 PolarHBondContact O-N 2.76Å; Y108-G111 PolarHBondContact O-N 3.16Å; G111-T114 PolarHBondContact O-N 3.46Å; G111-T115 WeakPolarHBondContact O-CB 3.34Å; G111-T115 PolarHBondContact O-N 3.39Å; G111-T115 PolarHBondContact O-OG1 3.46Å; G111-Y190 VanDerWaalsContact C-CZ 3.41Å; G111-Y190 VanDerWaalsContact CA-OH 3.25Å; G111-Y190 WeakPolarHBondContact CA-OH 3.4Å
112L95.9Very high93.2Very high32 Ų3251.7 Ų51.717%0.16828%0.281CS..Hα-helixtrans-62.5-48.5173.4-169.671.8000110.5V53 T54 Y108 S109 T114 T115 T116 L187 Y190V53-L112 HydrophobicContact CG1-CD1 3.35Å; V53-L112 HydrophobicContact CG1-CD2 4.29Å; V53-L112 HydrophobicContact CG1-CG 4.47Å; T54-L112 HydrophobicContact CG2-CD2 4.36Å; Y108-L112 HydrophobicContact CE1-CD2 4.48Å; Y108-L112 WeakPolarHBondContact O-CB 3.21Å; Y108-L112 PolarHBondContact O-N 3.02Å; S109-L112 PolarHBondContact O-N 2.85Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.92Å; L112-T115 PolarHBondContact O-N 2.9Å; L112-T116 PolarHBondContact O-N 2.96Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.14Å; L112-L187 HydrophobicContact CD1-CD2 3.84Å; L112-Y190 HydrophobicContact CB-CD1 4.39Å; L112-Y190 HydrophobicContact CB-CE1 3.96Å; L112-Y190 HydrophobicContact CD1-CD1 3.9Å; L112-Y190 HydrophobicContact CD1-CE1 4.25Å; L112-Y190 VanDerWaalsContact N-CE1 3.33Å
113F96.4Very high93.4Very high134 Ų13448.2 Ų48.259%0.58826%0.259SS*.Hα-helixtrans-59.9-44.6175.8-176.7-109.6000111.8S109 F110 T115 T116 I117S109-F113 WeakPolarHBondContact O-CB 3.48Å; S109-F113 PolarHBondContact O-N 2.75Å; F110-F113 PolarHBondContact O-N 3.01Å; F113-T115 PolarHBondContact O-N 3.49Å; F113-T116 PolarHBondContact O-N 2.84Å; F113-I117 HydrophobicContact CD1-CD1 3.65Å; F113-I117 HydrophobicContact CE1-CD1 3.21Å; F113-I117 HydrophobicContact CE1-CG1 4.3Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CG-CD1 4.36Å; F113-I117 HydrophobicContact CZ-CD1 3.57Å; F113-I117 HydrophobicContact CZ-CG1 4.31Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.26Å
114T95.5Very high93.5Very high27 Ų2746 Ų4617%0.16626%0.255CS..Hα-helixtrans-58.1-48175.6-600000111.1F110 G111 L112 T116 I117 F118 I251F110-T114 WeakPolarHBondContact O-CB 3.41Å; F110-T114 PolarHBondContact O-N 2.96Å; F110-T114 PolarHBondContact O-OG1 2.71Å; G111-T114 PolarHBondContact O-N 3.46Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.92Å; T114-T116 VanDerWaalsContact C-N 3.34Å; T114-T116 PolarHBondContact O-N 3.25Å; T114-I117 PolarHBondContact O-N 3.5Å; T114-F118 HydrophobicContact CG2-CD2 3.62Å; T114-F118 HydrophobicContact CG2-CE2 3.55Å; T114-F118 VanDerWaalsContact O-CD2 3.27Å; T114-F118 WeakPolarHBondContact O-CD2 3.31Å; T114-F118 PolarHBondContact O-N 2.95Å; T114-I251 HydrophobicContact CG2-CG2 4.4Å
115T96.2Very high93.5Very high0 Ų048.9 Ų48.90%027%0.274CS..Hα-helixtrans-61-42.1178.3-55.60000111.6G111 L112 F113 F118 A119 A186 L187 I251G111-T115 WeakPolarHBondContact O-CB 3.34Å; G111-T115 PolarHBondContact O-N 3.39Å; G111-T115 PolarHBondContact O-OG1 3.46Å; L112-T115 PolarHBondContact O-N 2.9Å; F113-T115 PolarHBondContact O-N 3.49Å; T115-F118 PolarHBondContact O-N 2.97Å; T115-A119 WeakPolarHBondContact O-CB 3.2Å; T115-A119 PolarHBondContact O-N 3.43Å; T115-A186 HydrophobicContact CG2-CB 3.96Å; T115-L187 HydrophobicContact CG2-CD2 3.99Å; T115-I251 HydrophobicContact CG2-CD1 4.37Å
116T95.6Very high93.3Very high42 Ų4248.2 Ų48.226%0.25827%0.273SS..Hα-helixtrans-60.7-44.7174.5-600000111.9L112 F113 T114 A119 N120L112-T116 PolarHBondContact O-N 2.96Å; L112-T116 PolarHBondContact O-OG1 3.5Å; L112-T116 VanDerWaalsContact O-OG1 3.14Å; F113-T116 PolarHBondContact O-N 2.84Å; T114-T116 VanDerWaalsContact C-N 3.34Å; T114-T116 PolarHBondContact O-N 3.25Å; T116-A119 PolarHBondContact O-N 3.48Å; T116-N120 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N120 VanDerWaalsContact O-CB 3.32Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 2.9Å; T116-N120 PolarHBondContact O-ND2 3.25Å
117I95.4Very high92.9Very high83 Ų8346.5 Ų46.543%0.42626%0.255SS..Hα-helixtrans-61.7-49.6177.6-70.8169.2000110.7F113 T114 A119 N120 A121F113-I117 HydrophobicContact CD1-CD1 3.65Å; F113-I117 HydrophobicContact CE1-CD1 3.21Å; F113-I117 HydrophobicContact CE1-CG1 4.3Å; F113-I117 HydrophobicContact CE2-CD1 4.27Å; F113-I117 HydrophobicContact CG-CD1 4.36Å; F113-I117 HydrophobicContact CZ-CD1 3.57Å; F113-I117 HydrophobicContact CZ-CG1 4.31Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.26Å; T114-I117 PolarHBondContact O-N 3.5Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.23Å; I117-N120 PolarHBondContact O-N 2.96Å; I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 2.96Å
118F94.6Very high92.7Very high122 Ų12246.6 Ų46.654%0.53525%0.254SS..Hα-helixtrans-60.7-43.4-179.6-86.9-73.6000112.2T114 T115 G122 I251T114-F118 HydrophobicContact CG2-CD2 3.62Å; T114-F118 HydrophobicContact CG2-CE2 3.55Å; T114-F118 VanDerWaalsContact O-CD2 3.27Å; T114-F118 WeakPolarHBondContact O-CD2 3.31Å; T114-F118 PolarHBondContact O-N 2.95Å; T115-F118 PolarHBondContact O-N 2.97Å; F118-G122 PolarHBondContact O-N 3.01Å; F118-I251 HydrophobicContact CB-CD1 4.44Å; F118-I251 HydrophobicContact CD2-CD1 4.02Å; F118-I251 HydrophobicContact CG-CD1 4.45Å
119A93.9Very high92.5Very high2 Ų246.4 Ų46.42%0.01725%0.254CS..Hα-helixtrans-64.4-47.1177.400000111.8T115 T116 I117 A121 G122 Q123 K183T115-A119 WeakPolarHBondContact O-CB 3.2Å; T115-A119 PolarHBondContact O-N 3.43Å; T116-A119 PolarHBondContact O-N 3.48Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.23Å; A119-A121 PolarHBondContact O-N 2.91Å; A119-G122 PolarHBondContact O-N 3.43Å; A119-Q123 WeakPolarHBondContact O-CG 3.45Å; A119-Q123 PolarHBondContact O-N 3.35Å; A119-K183 HydrophobicContact CB-CB 4Å; A119-K183 HydrophobicContact CB-CG 3.93Å
120N93.5Very high92.4Very high66 Ų6643.6 Ų43.635%0.35323%0.234SC..Hα-helixtrans-64.4-41.5178.7-71.6-22.4000111.7T116 I117 Q123 V124T116-N120 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N120 VanDerWaalsContact O-CB 3.32Å; T116-N120 WeakPolarHBondContact O-CB 3.31Å; T116-N120 PolarHBondContact O-N 2.9Å; T116-N120 PolarHBondContact O-ND2 3.25Å; I117-N120 PolarHBondContact O-N 2.96Å; N120-Q123 PolarHBondContact O-N 2.81Å; N120-V124 WeakPolarHBondContact O-CG2 3.06Å; N120-V124 PolarHBondContact O-N 2.87Å; N120-V124 VanDerWaalsContact O-N 3.13Å
121A91.1Very high92.3Very high47 Ų4738.2 Ų38.239%0.38821%0.212SC..Hα-helixtrans-63.1-46.2176.100000110.8I117 A119 Q123 V124 V125I117-A121 WeakPolarHBondContact O-CB 3.36Å; I117-A121 PolarHBondContact O-N 2.96Å; A119-A121 PolarHBondContact O-N 2.91Å; A121-Q123 VanDerWaalsContact C-N 3.31Å; A121-Q123 PolarHBondContact O-N 2.85Å; A121-V124 PolarHBondContact O-N 2.95Å; A121-V125 WeakPolarHBondContact O-CB 3.12Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.95Å
122G90.7Very high92.1Very high17 Ų1739.1 Ų39.118%0.17522%0.216CC..Hα-helixtrans-56.9-43.4175.500000112.5F118 A119 V124 V125 T126 F180F118-G122 PolarHBondContact O-N 3.01Å; A119-G122 PolarHBondContact O-N 3.43Å; G122-V124 VanDerWaalsContact C-N 3.33Å; G122-V124 PolarHBondContact O-N 2.72Å; G122-V125 PolarHBondContact O-N 3.37Å; G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 3.43Å; G122-F180 CarbonylContact C-O 3.31Å; G122-F180 VanDerWaalsContact C-O 3.31Å
123Q91.2Very high92Very high24 Ų2437.6 Ų37.611%0.11221%0.208CC..Hα-helixtrans-61.5-39177-74.1179.5-8.700113.6A119 N120 A121 G127 R178 F180 P181A119-Q123 WeakPolarHBondContact O-CG 3.45Å; A119-Q123 PolarHBondContact O-N 3.35Å; N120-Q123 PolarHBondContact O-N 2.81Å; A121-Q123 VanDerWaalsContact C-N 3.31Å; A121-Q123 PolarHBondContact O-N 2.85Å; Q123-G127 PolarHBondContact O-N 2.97Å; Q123-R178 HydrophobicContact CB-CB 4.02Å; Q123-R178 HydrophobicContact CB-CG 4.2Å; Q123-R178 HydrophobicContact CG-CB 4.19Å; Q123-R178 PolarHBondContact NE2-O 3.43Å; Q123-F180 WeakPolarHBondContact CA-O 3.4Å; Q123-F180 WeakPolarHBondContact CG-O 3.35Å; Q123-F180 PolarHBondContact N-O 3.44Å; Q123-P181 PolarHBondContact NE2-O 2.94Å
124V89.3Confident91.8Very high38 Ų3831.7 Ų31.723%0.2318%0.182CC..Hα-helixtrans-77.4-35.7179.2176.90000111.6V19 N120 A121 G122V19-V124 HydrophobicContact CG2-CG1 4.06Å; N120-V124 WeakPolarHBondContact O-CG2 3.06Å; N120-V124 PolarHBondContact O-N 2.87Å; N120-V124 VanDerWaalsContact O-N 3.13Å; A121-V124 PolarHBondContact O-N 2.95Å; G122-V124 VanDerWaalsContact C-N 3.33Å; G122-V124 PolarHBondContact O-N 2.72Å
125V88.5Confident91.5Very high87 Ų8732.1 Ų32.153%0.52719%0.186SC..Hα-helixtrans-77.8-37.4-177.3170.30000112.2F20 A121 G122F20-V125 WeakPolarHBondContact CB-O 3.3Å; A121-V125 WeakPolarHBondContact O-CB 3.12Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.95Å; G122-V125 PolarHBondContact O-N 3.37Å
126T85.9Confident91.4Very high42 Ų4232.8 Ų32.826%0.25819%0.19SC..Hα-helixtrans-90.2-37.7-177.8-51.50000112.2F20 G122 N128 F180F20-T126 VanDerWaalsContact CD1-O 3.28Å; F20-T126 WeakPolarHBondContact CD1-O 3.38Å; G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 3.43Å; T126-N128 HydrophobicContact CG2-CB 4.07Å; T126-N128 PolarHBondContact O-N 3.34Å; T126-F180 HydrophobicContact CG2-CB 4.17Å; T126-F180 HydrophobicContact CG2-CD1 3.79Å; T126-F180 HydrophobicContact CG2-CG 4.23Å; T126-F180 WeakPolarHBondContact OG1-CD1 3.39Å
127G83.5Confident91.1Very high3 Ų330.8 Ų30.83%0.03118%0.178CC..  trans58.922.8176.100000116F20 Q123 R177F20-G127 WeakPolarHBondContact O-CA 3.39Å; Q123-G127 PolarHBondContact O-N 2.97Å; G127-R177 CarbonylContact C-O 3.5Å; G127-R177 WeakPolarHBondContact CA-O 3.49Å
128N88.6Confident90.9Very high22 Ų2235.5 Ų35.512%0.11819%0.191CC..PPolyproline II helixtrans-65.7129.1-176.1-174.113.2000110.7E22 T126 R177 A179 F180E22-N128 PolarHBondContact OE2-OD1 2.93Å; T126-N128 HydrophobicContact CG2-CB 4.07Å; T126-N128 PolarHBondContact O-N 3.34Å; N128-R177 PolarHBondContact N-O 3Å; N128-R177 CarbonylContact O-C 3.52Å; N128-A179 HydrophobicContact CB-CB 4.48Å; N128-A179 WeakPolarHBondContact O-CB 3.22Å; N128-A179 PolarHBondContact O-N 3.41Å; N128-A179 VanDerWaalsContact O-N 3.08Å; N128-F180 HydrophobicContact CB-CB 3.9Å
129P90.8Very high90.6Very high0 Ų030.3 Ų30.30%017%0.169CC..PPolyproline II helixtrans-62.3148.5174.924.3-35.7000113.8Y31 F133 A176 A179 H237Y31-P129 HydrophobicContact CD1-CB 4.19Å; Y31-P129 HydrophobicContact CD1-CG 4.19Å; Y31-P129 HydrophobicContact CE1-CB 4.14Å; Y31-P129 HydrophobicContact CE1-CG 3.7Å; P129-F133 HydrophobicContact CB-CB 3.79Å; P129-F133 HydrophobicContact CB-CD1 4.05Å; P129-F133 HydrophobicContact CB-CD2 4.09Å; P129-F133 HydrophobicContact CB-CG 3.69Å; P129-A176 CarbonylContact C-O 3.03Å; P129-A176 WeakPolarHBondContact CA-O 3.42Å; P129-A179 WeakPolarHBondContact O-CB 3.39Å; P129-H237 PolarHBondContact O-CE1 3.11Å; P129-H237 VanDerWaalsContact O-CE1 3.27Å
130T92.6Very high90.4Very high5 Ų534.4 Ų34.43%0.03119%0.191CC..PPolyproline II helixtrans-79.9159171.958.90000111.4Y31 H132 F133 A176 A179 R235Y31-T130 WeakPolarHBondContact CD1-O 3.47Å; T130-H132 VanDerWaalsContact CB-CE1 3.46Å; T130-H132 WeakPolarHBondContact CB-CE1 3.37Å; T130-H132 PolarHBondContact O-N 3.02Å; T130-H132 PolarHBondContact OG1-CE1 3.05Å; T130-H132 PolarHBondContact OG1-ND1 3.13Å; T130-H132 PolarHBondContact OG1-NE2 3Å; T130-F133 WeakPolarHBondContact O-CB 3.33Å; T130-F133 PolarHBondContact O-N 3.06Å; T130-A176 WeakPolarHBondContact CG2-O 3.39Å; T130-A176 PolarHBondContact N-O 2.88Å; T130-A176 PolarHBondContact OG1-O 3.31Å; T130-A179 HydrophobicContact CG2-CB 3.71Å; T130-R235 VanDerWaalsContact CG2-O 3.25Å; T130-R235 WeakPolarHBondContact CG2-O 3.39Å
131P93.1Very high89.9Confident10 Ų1033.6 Ų33.67%0.06518%0.183CC..THydrogen-bonded Turntrans-57.9-19.2176.1-24.831.6000115.3Y31 K33 Y234Y31-P131 CarbonylContact C-O 3.2Å; Y31-P131 WeakPolarHBondContact CA-O 3.28Å; K33-P131 HydrophobicContact CB-CB 4.41Å; K33-P131 WeakPolarHBondContact CB-O 3.43Å; K33-P131 HydrophobicContact CG-CB 3.94Å; K33-P131 VanDerWaalsContact CG-O 3.32Å; K33-P131 WeakPolarHBondContact CG-O 3.38Å; K33-P131 PolarHBondContact N-O 3.45Å; P131-Y234 WeakPolarHBondContact CD-O 3.47Å
132H92.5Very high89.5Confident18 Ų1837 Ų378%0.08320%0.199CC..THydrogen-bonded Turntrans-1009.3176.862.8-90000113.3Y31 K33 Y35 T130 L134 S135 Y234Y31-H132 CarbonylContact O-C 2.93Å; K33-H132 WeakPolarHBondContact O-CA 3.49Å; Y35-H132 AromaticContact CD2-CD2 3.97Å; T130-H132 VanDerWaalsContact CB-CE1 3.46Å; T130-H132 WeakPolarHBondContact CB-CE1 3.37Å; T130-H132 PolarHBondContact O-N 3.02Å; T130-H132 PolarHBondContact OG1-CE1 3.05Å; T130-H132 PolarHBondContact OG1-ND1 3.13Å; T130-H132 PolarHBondContact OG1-NE2 3Å; H132-L134 PolarHBondContact O-N 2.86Å; H132-S135 PolarHBondContact O-N 2.94Å; H132-S135 PolarHBondContact O-OG 2.72Å; H132-Y234 PolarHBondContact ND1-O 3.2Å
133F93.4Very high89.1Confident0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-55.8-46.5-172.1170.5-99.9000113.6F24 Y31 P129 T130 S135 V136 C137 V173 A176 R177F24-F133 HydrophobicContact CB-CE1 4.4Å; F24-F133 AromaticContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CE1 3.65Å; F24-F133 HydrophobicContact CD1-CZ 4.22Å; F24-F133 HydrophobicContact CE1-CE1 4.05Å; F24-F133 HydrophobicContact CE1-CZ 4.39Å; F24-F133 AromaticContact CG-CE1 3.99Å; F24-F133 HydrophobicContact CG-CE1 3.99Å; Y31-F133 PolarHBondContact O-N 2.89Å; P129-F133 HydrophobicContact CB-CB 3.79Å; P129-F133 HydrophobicContact CB-CD1 4.05Å; P129-F133 HydrophobicContact CB-CD2 4.09Å; P129-F133 HydrophobicContact CB-CG 3.69Å; T130-F133 WeakPolarHBondContact O-CB 3.33Å; T130-F133 PolarHBondContact O-N 3.06Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å; F133-V136 PolarHBondContact O-N 3.26Å; F133-V136 VanDerWaalsContact O-N 3.15Å; F133-C137 HydrophobicContact CD1-CB 4.42Å; F133-C137 HydrophobicContact CE1-CB 3.94Å; F133-C137 HydrophobicContact CE2-CB 4.12Å; F133-C137 HydrophobicContact CZ-CB 3.76Å; F133-C137 VanDerWaalsContact O-CB 3.31Å; F133-C137 WeakPolarHBondContact O-CB 3.38Å; F133-C137 PolarHBondContact O-N 3.38Å; F133-V173 HydrophobicContact CE2-CG1 4.08Å; F133-A176 HydrophobicContact CD2-CB 3.94Å; F133-R177 HydrophobicContact CD2-CG 4.13Å; F133-R177 HydrophobicContact CE2-CG 3.71Å; F133-R177 VanDerWaalsContact CZ-CZ 3.48Å
134L91.1Very high88.7Confident11 Ų1140 Ų406%0.05822%0.223CC..Hα-helixtrans-66.3-31-176.8-66.6175.9000112.5F24 D28 Y31 A32 H132 V136 R138 P139F24-L134 HydrophobicContact CD2-CD2 3.68Å; F24-L134 HydrophobicContact CE2-CD2 3.93Å; F24-L134 HydrophobicContact CG-CD2 4.32Å; D28-L134 HydrophobicContact CB-CD1 4.39Å; D28-L134 VanDerWaalsContact O-CD1 3.27Å; D28-L134 WeakPolarHBondContact O-CD1 3.41Å; Y31-L134 WeakPolarHBondContact O-CB 3.37Å; Y31-L134 PolarHBondContact O-N 3.32Å; A32-L134 HydrophobicContact CB-CD1 4.32Å; H132-L134 PolarHBondContact O-N 2.86Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.18Å; L134-R138 PolarHBondContact O-N 3.22Å; L134-P139 HydrophobicContact CD2-CG 4.2Å
135S90.8Very high88.2Confident35 Ų3540 Ų4025%0.24523%0.23CC..Hα-helixtrans-65.6-30.6177.377.10000112.7K33 Y35 H132 F133K33-S135 WeakPolarHBondContact O-CB 3.42Å; K33-S135 PolarHBondContact O-OG 3.13Å; Y35-S135 PolarHBondContact N-OG 3.39Å; H132-S135 PolarHBondContact O-N 2.94Å; H132-S135 PolarHBondContact O-OG 2.72Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å
136V92.6Very high87.8Confident14 Ų1436.2 Ų36.29%0.08521%0.207CC..Hα-helixtrans-89.3-44.3178.3178.40000111Y35 F133 L134 R138 G168 L172 V173Y35-V136 HydrophobicContact CD2-CG2 3.45Å; Y35-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y35-V136 HydrophobicContact CE2-CG2 3.91Å; Y35-V136 HydrophobicContact CG-CG2 4.17Å; F133-V136 PolarHBondContact O-N 3.26Å; F133-V136 VanDerWaalsContact O-N 3.15Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.18Å; V136-R138 VanDerWaalsContact C-N 3.34Å; V136-R138 PolarHBondContact O-N 3.37Å; V136-G168 WeakPolarHBondContact O-CA 3.37Å; V136-L172 HydrophobicContact CG1-CB 3.51Å; V136-V173 HydrophobicContact CG1-CG2 4.09Å
137C90.8Very high87.3Confident0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-62.6-38.4-179172.50000112.4F133 C166 A167 G168F133-C137 HydrophobicContact CD1-CB 4.42Å; F133-C137 HydrophobicContact CE1-CB 3.94Å; F133-C137 HydrophobicContact CE2-CB 4.12Å; F133-C137 HydrophobicContact CZ-CB 3.76Å; F133-C137 VanDerWaalsContact O-CB 3.31Å; F133-C137 WeakPolarHBondContact O-CB 3.38Å; F133-C137 PolarHBondContact O-N 3.38Å; C137-C166 HydrophobicContact CB-CB 3.94Å; C137-C166 WeakPolarHBondContact CB-SG 3.19Å; C137-C166 CarbonylContact O-C 3.55Å; C137-C166 VanDerWaalsContact O-CA 3.26Å; C137-C166 WeakPolarHBondContact O-CA 3.38Å; C137-C166 WeakPolarHBondContact O-CB 3.4Å; C137-C166 WeakPolarHBondContact SG-CA 3.33Å; C137-C166 WeakPolarHBondContact SG-CB 3.41Å; C137-C166 CovalentContact SG-SG 2.04Å; C137-C166 PolarHBondContact SG-SG 3.45Å; C137-A167 PolarHBondContact O-N 3.01Å; C137-G168 PolarHBondContact O-N 3.19Å
138R90.4Very high86.8Confident183 Ų18341.5 Ų41.569%0.69124%0.242SC*.  trans45.265.3-176.2-63.5-173-179.4153.5-1.8112.3L134 V136 A167L134-R138 PolarHBondContact O-N 3.22Å; V136-R138 VanDerWaalsContact C-N 3.34Å; V136-R138 PolarHBondContact O-N 3.37Å; R138-A167 WeakPolarHBondContact O-CB 3.3Å; R138-A167 PolarHBondContact O-N 3.41Å
139P89.3Confident86Confident12 Ų1245.1 Ų45.18%0.07827%0.267CS..BIsolated β-bridgetrans-70.6144.1-175.730.1-35.6000112.2F24 L134 Y141 L144 A165F24-P139 HydrophobicContact CE2-CB 4.28Å; F24-P139 HydrophobicContact CE2-CG 4.28Å; F24-P139 HydrophobicContact CZ-CB 4.14Å; L134-P139 HydrophobicContact CD2-CG 4.2Å; P139-Y141 HydrophobicContact CG-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CE1 3.74Å; P139-Y141 HydrophobicContact CG-CE2 4.02Å; P139-Y141 PolarHBondContact O-N 3.35Å; P139-L144 HydrophobicContact CB-CD1 3.88Å; P139-A165 WeakPolarHBondContact CA-O 3.35Å; P139-A165 WeakPolarHBondContact CB-O 3.22Å
140N87.8Confident84.9Confident89 Ų8947.4 Ų47.448%0.47628%0.283SS..  trans-84.689.8174.1-170.5-4.1000110.3T142 A143 L144N140-T142 VanDerWaalsContact C-N 3.26Å; N140-T142 PolarHBondContact O-N 2.94Å; N140-T142 PolarHBondContact OD1-OG1 2.99Å; N140-A143 HydrophobicContact CB-CB 4.11Å; N140-A143 PolarHBondContact O-N 3.48Å; N140-L144 WeakPolarHBondContact O-CG 3.23Å; N140-L144 PolarHBondContact O-N 3.14Å; N140-L144 VanDerWaalsContact O-N 3.07Å
141Y83.9Confident83.7Confident48 Ų4853.1 Ų53.119%0.18832%0.32CS..THydrogen-bonded Turntrans-58.6-31.8-174.4-65.6-69000114.2C26 Y27 P139 L144 G145 C146C26-Y141 HydrophobicContact CB-CD1 4.37Å; C26-Y141 HydrophobicContact CB-CE1 4.38Å; Y27-Y141 HydrophobicContact CD1-CE1 4.26Å; Y27-Y141 HydrophobicContact CD1-CE2 4.16Å; Y27-Y141 HydrophobicContact CD2-CD1 4.4Å; Y27-Y141 HydrophobicContact CD2-CE1 4.46Å; Y27-Y141 HydrophobicContact CE1-CD1 4.2Å; Y27-Y141 AromaticContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CD2 3.7Å; Y27-Y141 HydrophobicContact CE1-CE1 4.23Å; Y27-Y141 AromaticContact CE1-CE2 3.71Å; Y27-Y141 HydrophobicContact CE1-CE2 3.71Å; Y27-Y141 AromaticContact CE1-CG 3.94Å; Y27-Y141 HydrophobicContact CE1-CG 3.94Å; Y27-Y141 AromaticContact CE1-CZ 3.98Å; Y27-Y141 AromaticContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CD1 3.98Å; Y27-Y141 HydrophobicContact CE2-CE1 4.44Å; Y27-Y141 HydrophobicContact CE2-CG 4.1Å; Y27-Y141 HydrophobicContact CG-CE1 4.38Å; Y27-Y141 AromaticContact CZ-CD1 3.88Å; Y27-Y141 AromaticContact CZ-CD2 3.79Å; Y27-Y141 AromaticContact CZ-CG 3.58Å; Y27-Y141 WeakPolarHBondContact OH-CB 3.45Å; P139-Y141 HydrophobicContact CG-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CE1 3.74Å; P139-Y141 HydrophobicContact CG-CE2 4.02Å; P139-Y141 PolarHBondContact O-N 3.35Å; Y141-L144 PolarHBondContact O-N 2.94Å; Y141-G145 PolarHBondContact O-N 2.86Å; Y141-C146 HydrophobicContact CD1-CB 3.95Å; Y141-C146 HydrophobicContact CG-CB 4.5Å; Y141-C146 PolarHBondContact O-N 3.49Å
142T82.9Confident82.5Confident120 Ų12060 Ų6074%0.73636%0.356SS*.THydrogen-bonded Turntrans-71.2-40.7178.255.80000111.7N140 L144 G145N140-T142 VanDerWaalsContact C-N 3.26Å; N140-T142 PolarHBondContact O-N 2.94Å; N140-T142 PolarHBondContact OD1-OG1 2.99Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 3.17Å; T142-G145 PolarHBondContact O-N 2.98Å
143A83Confident81.2Confident79 Ų7965.7 Ų65.765%0.65338%0.377SS*.THydrogen-bonded Turntrans-67.8-32175.500000112.4N140 G145N140-A143 HydrophobicContact CB-CB 4.11Å; N140-A143 PolarHBondContact O-N 3.48Å; A143-G145 PolarHBondContact O-N 2.97Å
144L81.4Confident79.5Confident24 Ų2471.8 Ų71.813%0.12642%0.416CS..THydrogen-bonded Turntrans-80.7-3.2176-64.7168.5000113P139 N140 Y141 T142 C146 R158 V160 A165P139-L144 HydrophobicContact CB-CD1 3.88Å; N140-L144 WeakPolarHBondContact O-CG 3.23Å; N140-L144 PolarHBondContact O-N 3.14Å; N140-L144 VanDerWaalsContact O-N 3.07Å; Y141-L144 PolarHBondContact O-N 2.94Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 3.17Å; L144-C146 PolarHBondContact O-N 3.06Å; L144-R158 WeakPolarHBondContact O-CD 3.48Å; L144-R158 PolarHBondContact O-NE 2.96Å; L144-R158 PolarHBondContact O-NH1 2.91Å; L144-V160 HydrophobicContact CD1-CG1 4.36Å; L144-V160 HydrophobicContact CD1-CG2 4.41Å; L144-V160 HydrophobicContact CD2-CG1 3.86Å; L144-A165 HydrophobicContact CD1-CB 3.88Å; L144-A165 HydrophobicContact CD2-CB 3.76Å; L144-A165 HydrophobicContact CG-CB 4.41Å
145G78.5Confident78Confident37 Ų3772.7 Ų72.738%0.38143%0.428SS..THydrogen-bonded Turntrans56.339.5-175.900000112.4Y141 T142 A143 P147 R158Y141-G145 PolarHBondContact O-N 2.86Å; T142-G145 PolarHBondContact O-N 2.98Å; A143-G145 PolarHBondContact O-N 2.97Å; G145-P147 WeakPolarHBondContact O-CD 3.28Å; G145-R158 PolarHBondContact O-NH1 2.94Å
146C81.6Confident76.6Confident8 Ų874.7 Ų74.75%0.05444%0.44CS..  trans-87.1107.6168.6-57.40000107.5C26 Y27 Y141 L144C26-C146 HydrophobicContact CB-CB 3.54Å; C26-C146 WeakPolarHBondContact CB-SG 3.44Å; C26-C146 WeakPolarHBondContact SG-CB 3.45Å; C26-C146 CovalentContact SG-SG 2.04Å; C26-C146 PolarHBondContact SG-SG 3.37Å; Y27-C146 HydrophobicContact CE2-CB 4.12Å; Y141-C146 HydrophobicContact CD1-CB 3.95Å; Y141-C146 HydrophobicContact CG-CB 4.5Å; Y141-C146 PolarHBondContact O-N 3.49Å; L144-C146 PolarHBondContact O-N 3.06Å
147P75.1Confident75.3Confident62 Ų6278.4 Ų78.440%0.40346%0.46SS..PPolyproline II helixtrans-63.7146174.226.7-32.3000110.1G145G145-P147 WeakPolarHBondContact O-CD 3.28Å
148P72.5Confident74.6Confident95 Ų9584.3 Ų84.362%0.61748%0.482SS*.PPolyproline II helixtrans-63146.5175.126.3-32.5000110.1S150P148-S150 PolarHBondContact O-N 3.45Å; P148-S150 VanDerWaalsContact O-N 3.16Å
149P71.4Confident74.2Confident97 Ų9780.3 Ų80.363%0.6347%0.47SS*.PPolyproline II helixtrans-59.7121.7176.923.7-31.5000109.3
150S67.1Low73.9Confident49 Ų4980.1 Ų80.134%0.34347%0.468SS..BIsolated β-bridgetrans-117.3153.5177.271.40000109.8P148 D152 R153P148-S150 PolarHBondContact O-N 3.45Å; P148-S150 VanDerWaalsContact O-N 3.16Å; S150-D152 PolarHBondContact O-N 3Å; S150-D152 VanDerWaalsContact O-N 3.11Å; S150-R153 CarbonylContact O-C 3.3Å; S150-R153 VanDerWaalsContact O-C 3.3Å; S150-R153 PolarHBondContact O-N 2.93Å
151P68.3Low73.5Confident124 Ų12480.3 Ų80.381%0.80547%0.473SS*.THydrogen-bonded Turntrans-57.5-25.3178.620-31.3000113.5R153P151-R153 VanDerWaalsContact C-N 3.32Å
152D67.5Low73.2Confident154 Ų15481.9 Ų81.982%0.82449%0.485SS*.THydrogen-bonded Turntrans-82.2-7.3177.6-59.3-39.1000113.8S150S150-D152 PolarHBondContact O-N 3Å; S150-D152 VanDerWaalsContact O-N 3.11Å
153R66.3Low72.6Confident138 Ų13882.4 Ų82.452%0.52148%0.479SS..BIsolated β-bridgetrans-147.783.5-175.2-168.1176-85-165.27.7110.3S150 P151 G155 D157S150-R153 CarbonylContact O-C 3.3Å; S150-R153 VanDerWaalsContact O-C 3.3Å; S150-R153 PolarHBondContact O-N 2.93Å; P151-R153 VanDerWaalsContact C-N 3.32Å; R153-G155 PolarHBondContact O-N 3.41Å; R153-G155 VanDerWaalsContact O-N 3.12Å; R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 3.5Å
154P58.1Low72.1Confident128 Ų12883 Ų8383%0.83148%0.479SS*.  trans-76.55.4-171.1-12.428.3000114.8
155G58.2Low72.1Confident30 Ų3082.3 Ų82.331%0.30948%0.476SS..SBendtrans-102.1151.3-166.500000114.8R153 D157R153-G155 PolarHBondContact O-N 3.41Å; R153-G155 VanDerWaalsContact O-N 3.12Å; G155-D157 VanDerWaalsContact CA-OD1 3.24Å; G155-D157 WeakPolarHBondContact CA-OD1 3.28Å; G155-D157 PolarHBondContact O-N 3.28Å
156P61.9Low72.6Confident77 Ų7781.8 Ų81.850%0.547%0.466SS..  trans-75.177.8165.732.3-32.3000109F25 R158F25-P156 HydrophobicContact CB-CB 4.05Å; F25-P156 HydrophobicContact CD1-CB 4.46Å; P156-R158 PolarHBondContact O-N 2.58Å
157D64.4Low72.9Confident92 Ų9285.4 Ų85.449%0.49250%0.497SS..  trans-75.23.5-158.5-80.511.1000116R153 G155R153-D157 WeakPolarHBondContact CD-OD2 3.44Å; R153-D157 WeakPolarHBondContact CG-OD2 3.47Å; R153-D157 IonicContact NE-OD2 3.5Å; G155-D157 VanDerWaalsContact CA-OD1 3.24Å; G155-D157 WeakPolarHBondContact CA-OD1 3.28Å; G155-D157 PolarHBondContact O-N 3.28Å
158R75.9Confident73.6Confident125 Ų12583.4 Ų83.447%0.47249%0.487SS..  trans-146129.5178.8-171.2172.9-173.7163.9-2.3112.9C26 L144 G145 P156C26-R158 PolarHBondContact N-O 3.45Å; C26-R158 PolarHBondContact SG-O 2.98Å; L144-R158 WeakPolarHBondContact O-CD 3.48Å; L144-R158 PolarHBondContact O-NE 2.96Å; L144-R158 PolarHBondContact O-NH1 2.91Å; G145-R158 PolarHBondContact O-NH1 2.94Å; P156-R158 PolarHBondContact O-N 2.58Å
159F83.3Confident74.4Confident98 Ų9881.3 Ų81.343%0.4348%0.475SS..EExtended strand (participates in β ladder)trans-92.9129.6171.5-173.2-110.8000109.7F25 T161F25-F159 HydrophobicContact CD1-CB 4.13Å; F25-F159 HydrophobicContact CD1-CD2 4.04Å; F25-F159 AromaticContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CD2 3.9Å; F25-F159 HydrophobicContact CD2-CE2 4.31Å; F25-F159 HydrophobicContact CE1-CB 3.89Å; F25-F159 AromaticContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CD2 3.86Å; F25-F159 HydrophobicContact CE1-CG 4.29Å; F25-F159 AromaticContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CD2 3.7Å; F25-F159 HydrophobicContact CE2-CE2 4.02Å; F25-F159 HydrophobicContact CG-CD2 4.06Å; F25-F159 HydrophobicContact CZ-CB 4.43Å; F25-F159 AromaticContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CD2 3.68Å; F25-F159 HydrophobicContact CZ-CE2 4.32Å; F25-F159 HydrophobicContact CZ-CG 4.37Å; F159-T161 HydrophobicContact CD1-CG2 3.73Å; F159-T161 HydrophobicContact CE1-CG2 3.3Å; F159-T161 HydrophobicContact CZ-CG2 4.24Å
160V83.3Confident75.3Confident8 Ų882 Ų825%0.04848%0.479CS..EExtended strand (participates in β ladder)trans-114.8118.6-177.2-179.50000109G23 F24 L144 D162 A165G23-V160 CarbonylContact C-O 3.43Å; G23-V160 WeakPolarHBondContact CA-O 3.29Å; F24-V160 HydrophobicContact CE1-CB 4.28Å; F24-V160 HydrophobicContact CE1-CG1 4.17Å; F24-V160 HydrophobicContact CE2-CB 4.24Å; F24-V160 HydrophobicContact CZ-CB 4.05Å; F24-V160 HydrophobicContact CZ-CG1 4Å; F24-V160 PolarHBondContact N-O 3.32Å; F24-V160 PolarHBondContact O-N 3.42Å; L144-V160 HydrophobicContact CD1-CG1 4.36Å; L144-V160 HydrophobicContact CD1-CG2 4.41Å; L144-V160 HydrophobicContact CD2-CG1 3.86Å; V160-D162 HydrophobicContact CG1-CB 4.42Å; V160-A165 HydrophobicContact CG1-CB 3.81Å
161T79.9Confident76.3Confident93 Ų9383.8 Ų83.857%0.57149%0.492SS*.  trans-103.4-7.4175.549.80000113.2F159F159-T161 HydrophobicContact CD1-CG2 3.73Å; F159-T161 HydrophobicContact CE1-CG2 3.3Å; F159-T161 HydrophobicContact CZ-CG2 4.24Å
162D75.7Confident77.3Confident81 Ų8181.3 Ų81.343%0.43347%0.471SS..  trans-73.2132-174.3-166.12.4000111.9V160 S164 A165V160-D162 HydrophobicContact CG1-CB 4.42Å; D162-S164 VanDerWaalsContact C-N 3.31Å; D162-S164 VanDerWaalsContact CG-OG 3.28Å; D162-S164 PolarHBondContact OD1-N 3.43Å; D162-S164 VanDerWaalsContact OD1-N 3.12Å; D162-S164 PolarHBondContact OD1-OG 2.94Å; D162-S164 PolarHBondContact OD2-OG 2.85Å; D162-A165 VanDerWaalsContact O-CB 3.22Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 2.97Å
163Q70.5Confident78.4Confident132 Ų13274.7 Ų74.762%0.61744%0.436SS*.G310 helixtrans-73.7-24.6176.3-77.2173.56.200112.2V21 A165V21-Q163 HydrophobicContact CB-CG 4.48Å; V21-Q163 HydrophobicContact CG1-CG 4.03Å; V21-Q163 HydrophobicContact CG2-CG 4.36Å; Q163-A165 PolarHBondContact O-N 3.48Å
164S73.6Confident79.4Confident92 Ų9270.2 Ų70.264%0.64343%0.429SS*.G310 helixtrans-73.5-5.6177.884.20000113.5D162 C166D162-S164 VanDerWaalsContact C-N 3.31Å; D162-S164 VanDerWaalsContact CG-OG 3.28Å; D162-S164 PolarHBondContact OD1-N 3.43Å; D162-S164 VanDerWaalsContact OD1-N 3.12Å; D162-S164 PolarHBondContact OD1-OG 2.94Å; D162-S164 PolarHBondContact OD2-OG 2.85Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 2.9Å
165A81.4Confident80.8Confident8 Ų866.6 Ų66.67%0.06641%0.41CS..G310 helixtrans-68.1-20.4-175.700000114.6F24 P139 L144 V160 D162 Q163F24-A165 HydrophobicContact CE1-CB 4.31Å; F24-A165 HydrophobicContact CZ-CB 4.06Å; P139-A165 WeakPolarHBondContact CA-O 3.35Å; P139-A165 WeakPolarHBondContact CB-O 3.22Å; L144-A165 HydrophobicContact CD1-CB 3.88Å; L144-A165 HydrophobicContact CD2-CB 3.76Å; L144-A165 HydrophobicContact CG-CB 4.41Å; V160-A165 HydrophobicContact CG1-CB 3.81Å; D162-A165 VanDerWaalsContact O-CB 3.22Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 2.97Å; Q163-A165 PolarHBondContact O-N 3.48Å
166C87.9Confident82.4Confident27 Ų2765.3 Ų65.318%0.18240%0.396CS..BIsolated β-bridgetrans-94.7130-176.5-61.90000112.1C137 S164 V173C137-C166 HydrophobicContact CB-CB 3.94Å; C137-C166 WeakPolarHBondContact CB-SG 3.19Å; C137-C166 CarbonylContact O-C 3.55Å; C137-C166 VanDerWaalsContact O-CA 3.26Å; C137-C166 WeakPolarHBondContact O-CA 3.38Å; C137-C166 WeakPolarHBondContact O-CB 3.4Å; C137-C166 WeakPolarHBondContact SG-CA 3.33Å; C137-C166 WeakPolarHBondContact SG-CB 3.41Å; C137-C166 CovalentContact SG-SG 2.04Å; C137-C166 PolarHBondContact SG-SG 3.45Å; S164-C166 VanDerWaalsContact C-N 3.28Å; S164-C166 PolarHBondContact O-N 2.9Å; C166-V173 HydrophobicContact CB-CG1 4.23Å; C166-V173 HydrophobicContact CB-CG2 4.17Å
167A89.1Confident83.7Confident84 Ų8462.9 Ų62.969%0.69438%0.377SS*.  trans-94-8.5172.600000113.6C137 R138C137-A167 PolarHBondContact O-N 3.01Å; R138-A167 WeakPolarHBondContact O-CB 3.3Å; R138-A167 PolarHBondContact O-N 3.41Å
168G88.6Confident84.9Confident20 Ų2064.6 Ų64.621%0.20638%0.377CS..SBendtrans-68176.1177.100000114.4V136 C137V136-G168 WeakPolarHBondContact O-CA 3.37Å; C137-G168 PolarHBondContact O-N 3.19Å
169S90.3Very high85.5Confident51 Ų5158.6 Ų58.636%0.35735%0.354SS..  trans-67.8132.9179.161.50000111.4S171 L172 V173S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 3.4Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 WeakPolarHBondContact OG-CB 3.3Å; S169-L172 VanDerWaalsContact OG-CD1 3.26Å; S169-L172 WeakPolarHBondContact OG-CD1 3.23Å; S169-L172 VanDerWaalsContact OG-CG 3.25Å; S169-L172 WeakPolarHBondContact OG-CG 3.47Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.26Å
170P88.9Confident85.9Confident111 Ų11157.1 Ų57.172%0.72135%0.348SS*.Hα-helixtrans-64.1-31.1-170.823.6-34.1000112.9A174P170-A174 VanDerWaalsContact O-CB 3.25Å; P170-A174 WeakPolarHBondContact O-CB 3.23Å; P170-A174 PolarHBondContact O-N 2.92Å
171S88.9Confident86.4Confident87 Ų8757.1 Ų57.161%0.60835%0.348SS*.Hα-helixtrans-69.2-41.6177.753.30000113S169 A175S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 3.4Å; S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 3.45Å
172L89.6Confident87.1Confident71 Ų7152.7 Ų52.737%0.37232%0.321SS..Hα-helixtrans-73.2-37.1177.6-65.2-179.9000111.2V136 S169 A175 A176V136-L172 HydrophobicContact CG1-CB 3.51Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 WeakPolarHBondContact OG-CB 3.3Å; S169-L172 VanDerWaalsContact OG-CD1 3.26Å; S169-L172 WeakPolarHBondContact OG-CD1 3.23Å; S169-L172 VanDerWaalsContact OG-CG 3.25Å; S169-L172 WeakPolarHBondContact OG-CG 3.47Å; L172-A175 PolarHBondContact O-N 3.46Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.49Å
173V90.2Very high88.1Confident15 Ų1551 Ų519%0.09131%0.309CS..Hα-helixtrans-63.7-43.9174.4174.60000110.8F133 V136 C166 S169 A175 A176 R177F133-V173 HydrophobicContact CE2-CG1 4.08Å; V136-V173 HydrophobicContact CG1-CG2 4.09Å; C166-V173 HydrophobicContact CB-CG1 4.23Å; C166-V173 HydrophobicContact CB-CG2 4.17Å; S169-V173 WeakPolarHBondContact O-CG2 3.49Å; S169-V173 PolarHBondContact O-N 3.26Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.09Å; V173-A176 PolarHBondContact O-N 3.47Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.9Å
174A88.3Confident89.3Confident45 Ų4545.3 Ų45.337%0.37228%0.283SS..Hα-helixtrans-63.6-36.3175.400000112.4P170 R177P170-A174 VanDerWaalsContact O-CB 3.25Å; P170-A174 WeakPolarHBondContact O-CB 3.23Å; P170-A174 PolarHBondContact O-N 2.92Å; A174-R177 PolarHBondContact O-N 3.47Å
175A87.8Confident90.4Very high51 Ų5141 Ų4142%0.42125%0.253SS..Hα-helixtrans-68-40.7173.900000112.1S171 L172 V173 R177 R178S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 3.45Å; L172-A175 PolarHBondContact O-N 3.46Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.09Å; A175-R177 PolarHBondContact O-N 3Å; A175-R178 PolarHBondContact O-N 2.7Å; A175-R178 VanDerWaalsContact O-N 3.14Å
176A89.9Confident91.1Very high3 Ų340.6 Ų40.63%0.02525%0.25CS..Hα-helixtrans-69-8.4177.700000113.8P129 T130 F133 L172 V173P129-A176 CarbonylContact C-O 3.03Å; P129-A176 WeakPolarHBondContact CA-O 3.42Å; T130-A176 WeakPolarHBondContact CG2-O 3.39Å; T130-A176 PolarHBondContact N-O 2.88Å; T130-A176 PolarHBondContact OG1-O 3.31Å; F133-A176 HydrophobicContact CD2-CB 3.94Å; L172-A176 WeakPolarHBondContact O-CB 3.28Å; L172-A176 PolarHBondContact O-N 3.49Å; V173-A176 PolarHBondContact O-N 3.47Å
177R90.1Very high91.6Very high26 Ų2639.4 Ų39.410%0.09824%0.242CC..THydrogen-bonded Turntrans-96.310.7172.7-68.9-179.9176.8-80.79.8113.6E22 G127 N128 F133 V173 A174 A175E22-R177 PolarHBondContact O-NH1 3.36Å; G127-R177 CarbonylContact C-O 3.5Å; G127-R177 WeakPolarHBondContact CA-O 3.49Å; N128-R177 PolarHBondContact N-O 3Å; N128-R177 CarbonylContact O-C 3.52Å; F133-R177 HydrophobicContact CD2-CG 4.13Å; F133-R177 HydrophobicContact CE2-CG 3.71Å; F133-R177 VanDerWaalsContact CZ-CZ 3.48Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.9Å; A174-R177 PolarHBondContact O-N 3.47Å; A175-R177 PolarHBondContact O-N 3Å
178R89.2Confident92Very high128 Ų12835.9 Ų35.948%0.48321%0.212SC..  trans-113.446-177.1-66.6179.2179.2165.90112Q123 A175Q123-R178 HydrophobicContact CB-CB 4.02Å; Q123-R178 HydrophobicContact CB-CG 4.2Å; Q123-R178 HydrophobicContact CG-CB 4.19Å; Q123-R178 PolarHBondContact NE2-O 3.43Å; A175-R178 PolarHBondContact O-N 2.7Å; A175-R178 VanDerWaalsContact O-N 3.14Å
179A89Confident92.4Very high0 Ų035.2 Ų35.20%021%0.205CC..  trans-76.4-39.1-176.600000113.3N128 P129 T130 P181 N236 D240N128-A179 HydrophobicContact CB-CB 4.48Å; N128-A179 WeakPolarHBondContact O-CB 3.22Å; N128-A179 PolarHBondContact O-N 3.41Å; N128-A179 VanDerWaalsContact O-N 3.08Å; P129-A179 WeakPolarHBondContact O-CB 3.39Å; T130-A179 HydrophobicContact CG2-CB 3.71Å; A179-P181 CarbonylContact O-C 3.44Å; A179-N236 PolarHBondContact O-ND2 3.24Å; A179-D240 WeakPolarHBondContact O-CB 3.06Å
180F91.6Very high92.7Very high67 Ų6732.8 Ų32.829%0.29419%0.188SC..SBendtrans-109.5134.4-171.4-178.1-89000112.7G122 Q123 T126 N128 D240 A243G122-F180 CarbonylContact C-O 3.31Å; G122-F180 VanDerWaalsContact C-O 3.31Å; Q123-F180 WeakPolarHBondContact CA-O 3.4Å; Q123-F180 WeakPolarHBondContact CG-O 3.35Å; Q123-F180 PolarHBondContact N-O 3.44Å; T126-F180 HydrophobicContact CG2-CB 4.17Å; T126-F180 HydrophobicContact CG2-CD1 3.79Å; T126-F180 HydrophobicContact CG2-CG 4.23Å; T126-F180 WeakPolarHBondContact OG1-CD1 3.39Å; N128-F180 HydrophobicContact CB-CB 3.9Å; F180-D240 HydrophobicContact CD2-CB 4.39Å; F180-D240 WeakPolarHBondContact CD2-OD1 3.42Å; F180-A243 HydrophobicContact CD2-CB 4.33Å; F180-A243 HydrophobicContact CE2-CB 3.47Å; F180-A243 VanDerWaalsContact CE2-CB 3.47Å; F180-A243 HydrophobicContact CZ-CB 3.93Å
181P93.9Very high93.1Very high7 Ų727.8 Ų27.85%0.04516%0.156CC..SBendcis-75.1165.6-1832.1-34.7000111.2Q123 A179 K183 A243Q123-P181 PolarHBondContact NE2-O 2.94Å; A179-P181 CarbonylContact O-C 3.44Å; P181-K183 PolarHBondContact O-N 3.13Å; P181-A243 HydrophobicContact CB-CB 4.39Å
182C95.5Very high93.4Very high1 Ų124.6 Ų24.61%0.00713%0.132CC..  trans-69.6107.2173.4-176.60000110.3D184 A185 A186 N236 D240 V241C182-D184 PolarHBondContact O-N 3.49Å; C182-A185 HydrophobicContact CB-CB 3.85Å; C182-A185 PolarHBondContact O-N 3.47Å; C182-A186 PolarHBondContact O-N 2.71Å; C182-A186 VanDerWaalsContact O-N 3.09Å; C182-N236 HydrophobicContact CB-CB 4.45Å; C182-D240 WeakPolarHBondContact CB-O 3.41Å; C182-D240 PolarHBondContact N-O 3.18Å; C182-V241 HydrophobicContact CB-CB 4.48Å; C182-V241 HydrophobicContact CB-CG2 4.01Å
183K95.2Very high93.7Very high45 Ų4522.3 Ų22.320%0.19612%0.121CC..Hα-helixtrans-58.8-45.9-179.8-179.9-17864.6174.80112.6Y50 A119 P181 A185 A186 L187Y50-K183 WeakPolarHBondContact OH-CE 3.32Å; Y50-K183 PolarHBondContact OH-NZ 3.41Å; A119-K183 HydrophobicContact CB-CB 4Å; A119-K183 HydrophobicContact CB-CG 3.93Å; P181-K183 PolarHBondContact O-N 3.13Å; K183-A185 PolarHBondContact O-N 3.39Å; K183-A186 WeakPolarHBondContact O-CB 3.19Å; K183-A186 PolarHBondContact O-N 3.29Å; K183-L187 HydrophobicContact CG-CD1 4.05Å; K183-L187 HydrophobicContact CG-CG 4.46Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.36Å
184D95.4Very high93.9Very high13 Ų1321.8 Ų21.87%0.0712%0.118CC..Hα-helixtrans-66.3-41.2-176.4-63-38000111.9I49 C182 A186 L187 C188 V226 R230I49-D184 HydrophobicContact CD1-CB 3.93Å; C182-D184 PolarHBondContact O-N 3.49Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.1Å; D184-L187 PolarHBondContact O-N 3.39Å; D184-C188 WeakPolarHBondContact O-CB 3.4Å; D184-C188 PolarHBondContact O-N 2.87Å; D184-C188 PolarHBondContact O-SG 3.33Å; D184-V226 HydrophobicContact CB-CG1 4.36Å; D184-R230 IonicContact OD2-CZ 3.67Å; D184-R230 IonicContact OD2-NE 3.82Å; D184-R230 PolarHBondContact OD2-NE 2.91Å; D184-R230 IonicContact OD2-NH2 2.75Å; D184-R230 PolarHBondContact OD2-NH2 3.42Å
185A96.8Very high94.1Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-59.6-43.8173.100000111.3C182 K183 C188 A189 V241 F245C182-A185 HydrophobicContact CB-CB 3.85Å; C182-A185 PolarHBondContact O-N 3.47Å; K183-A185 PolarHBondContact O-N 3.39Å; A185-C188 PolarHBondContact O-N 3.21Å; A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 2.99Å; A185-V241 HydrophobicContact CB-CG1 4.01Å; A185-F245 HydrophobicContact CB-CD1 3.75Å; A185-F245 HydrophobicContact CB-CE1 3.67Å; A185-F245 HydrophobicContact CB-CG 4.41Å; A185-F245 HydrophobicContact CB-CZ 4.26Å; A185-F245 VanDerWaalsContact O-CD1 3.3Å; A185-F245 WeakPolarHBondContact O-CD1 3.08Å
186A97.5Very high94.3Very high1 Ų118 Ų181%0.0089%0.086CC..Hα-helixtrans-62.2-44.8177.800000113T115 C182 K183 D184 Y190 G244 G248T115-A186 HydrophobicContact CG2-CB 3.96Å; C182-A186 PolarHBondContact O-N 2.71Å; C182-A186 VanDerWaalsContact O-N 3.09Å; K183-A186 WeakPolarHBondContact O-CB 3.19Å; K183-A186 PolarHBondContact O-N 3.29Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.1Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 3.02Å; A186-G244 WeakPolarHBondContact CA-O 3.09Å; A186-G244 WeakPolarHBondContact CB-O 3.2Å; A186-G248 WeakPolarHBondContact O-CA 3.23Å
187L97.3Very high94.2Very high2 Ų220.3 Ų20.31%0.0110%0.097CC..Hα-helixtrans-66.4-43.3178.6-65.8173.4000112Y50 V53 L112 T115 K183 D184 Y190 A191Y50-L187 HydrophobicContact CD1-CD1 4.12Å; Y50-L187 HydrophobicContact CE1-CD1 3.52Å; V53-L187 HydrophobicContact CG2-CB 4.4Å; L112-L187 HydrophobicContact CD1-CD2 3.84Å; T115-L187 HydrophobicContact CG2-CD2 3.99Å; K183-L187 HydrophobicContact CG-CD1 4.05Å; K183-L187 HydrophobicContact CG-CG 4.46Å; K183-L187 WeakPolarHBondContact O-CG 3.44Å; K183-L187 PolarHBondContact O-N 3.36Å; D184-L187 PolarHBondContact O-N 3.39Å; L187-Y190 PolarHBondContact O-N 2.74Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 2.89Å
188C97.1Very high94.1Very high10 Ų1019.4 Ų19.47%0.0689%0.094CC..Hα-helixtrans-61.7-49.2175.8-71.80000111.4D184 A185 Y190 A191 V192 A223D184-C188 WeakPolarHBondContact O-CB 3.4Å; D184-C188 PolarHBondContact O-N 2.87Å; D184-C188 PolarHBondContact O-SG 3.33Å; A185-C188 PolarHBondContact O-N 3.21Å; C188-Y190 PolarHBondContact O-N 2.88Å; C188-A191 PolarHBondContact O-N 3.46Å; C188-V192 WeakPolarHBondContact O-CG1 3.16Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.08Å; C188-V192 PolarHBondContact O-N 2.8Å; C188-A223 HydrophobicContact CB-CB 3.83Å
189A97.3Very high93.9Very high6 Ų613.9 Ų13.95%0.057%0.074CC..Hα-helixtrans-58.7-46.3176.700000112A185 A191 V192 T193 F245A185-A189 WeakPolarHBondContact O-CB 3.23Å; A185-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.08Å; A189-V192 WeakPolarHBondContact O-CG2 3.33Å; A189-V192 PolarHBondContact O-N 3.46Å; A189-T193 WeakPolarHBondContact O-CB 3.43Å; A189-T193 PolarHBondContact O-N 3.06Å; A189-T193 PolarHBondContact O-OG1 3.2Å; A189-F245 HydrophobicContact CB-CB 4.31Å; A189-F245 HydrophobicContact CB-CD1 3.8Å; A189-F245 WeakPolarHBondContact CB-O 3.46Å
190Y97.6Very high93.6Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-55.5-50.4176.5174.3-99.6000111.6Y108 G111 L112 A186 L187 C188 Y194 I251 A252 L255Y108-Y190 WeakPolarHBondContact CA-OH 3.46Å; Y108-Y190 AromaticContact CD2-CE1 3.63Å; Y108-Y190 HydrophobicContact CD2-CE1 3.63Å; Y108-Y190 AromaticContact CE2-CD1 3.88Å; Y108-Y190 HydrophobicContact CE2-CD1 3.88Å; Y108-Y190 AromaticContact CE2-CE1 3.32Å; Y108-Y190 HydrophobicContact CE2-CE1 3.32Å; Y108-Y190 PolarHBondContact O-OH 3.03Å; G111-Y190 VanDerWaalsContact C-CZ 3.41Å; G111-Y190 VanDerWaalsContact CA-OH 3.25Å; G111-Y190 WeakPolarHBondContact CA-OH 3.4Å; L112-Y190 HydrophobicContact CB-CD1 4.39Å; L112-Y190 HydrophobicContact CB-CE1 3.96Å; L112-Y190 HydrophobicContact CD1-CD1 3.9Å; L112-Y190 HydrophobicContact CD1-CE1 4.25Å; L112-Y190 VanDerWaalsContact N-CE1 3.33Å; A186-Y190 WeakPolarHBondContact O-CB 3.48Å; A186-Y190 PolarHBondContact O-N 3.02Å; L187-Y190 PolarHBondContact O-N 2.74Å; C188-Y190 PolarHBondContact O-N 2.88Å; Y190-Y194 VanDerWaalsContact O-CB 3.27Å; Y190-Y194 WeakPolarHBondContact O-CB 3.43Å; Y190-Y194 PolarHBondContact O-N 2.87Å; Y190-I251 HydrophobicContact CD2-CB 4.35Å; Y190-I251 HydrophobicContact CD2-CG2 4.04Å; Y190-I251 HydrophobicContact CE2-CG2 4.01Å; Y190-A252 HydrophobicContact CD2-CB 3.65Å; Y190-A252 HydrophobicContact CE2-CB 3.93Å; Y190-L255 HydrophobicContact CE2-CD1 4.11Å
191A96.8Very high92.9Very high6 Ų617.6 Ų17.65%0.0510%0.098CC..Hα-helixtrans-61-49.4-178.500000112.8V53 P57 Y108 L187 C188 A189 T195V53-A191 HydrophobicContact CB-CB 4.34Å; V53-A191 HydrophobicContact CG1-CB 4.09Å; V53-A191 HydrophobicContact CG2-CB 4.09Å; P57-A191 HydrophobicContact CG-CB 4.16Å; Y108-A191 WeakPolarHBondContact OH-CB 3.47Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-A191 PolarHBondContact O-N 2.89Å; C188-A191 PolarHBondContact O-N 3.46Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.08Å; A191-T195 VanDerWaalsContact O-CB 3.28Å; A191-T195 WeakPolarHBondContact O-CB 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 PolarHBondContact O-OG1 3.36Å
192V95.9Very high92Very high20 Ų2018.3 Ų18.312%0.12110%0.103CC..Hα-helixtrans-72.8-37.4-176.7-58.70000111.9C188 A189 T195 A196 L219 L220 A223C188-V192 WeakPolarHBondContact O-CG1 3.16Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.08Å; C188-V192 PolarHBondContact O-N 2.8Å; A189-V192 WeakPolarHBondContact O-CG2 3.33Å; A189-V192 PolarHBondContact O-N 3.46Å; V192-T195 PolarHBondContact O-N 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.39Å; V192-A196 PolarHBondContact O-N 3.03Å; V192-L219 HydrophobicContact CB-CB 4.5Å; V192-L219 VanDerWaalsContact CG1-O 3.23Å; V192-L219 WeakPolarHBondContact CG1-O 3.29Å; V192-L220 HydrophobicContact CG2-CD2 3.82Å; V192-A223 HydrophobicContact CB-CB 4.44Å; V192-A223 HydrophobicContact CG1-CB 3.85Å; V192-A223 HydrophobicContact CG2-CB 3.78Å
193T95.1Very high90.8Very high23 Ų2321.7 Ų21.714%0.14112%0.117CC..Hα-helixtrans-65.5-46176-61.60000110.8A189 T195 A196 M197 A252A189-T193 WeakPolarHBondContact O-CB 3.43Å; A189-T193 PolarHBondContact O-N 3.06Å; A189-T193 PolarHBondContact O-OG1 3.2Å; T193-T195 PolarHBondContact O-N 3.21Å; T193-A196 PolarHBondContact O-N 3.46Å; T193-M197 HydrophobicContact CG2-CE 3.79Å; T193-M197 HydrophobicContact CG2-SD 4.38Å; T193-M197 WeakPolarHBondContact O-CG 3.35Å; T193-M197 PolarHBondContact O-N 3.49Å; T193-A252 HydrophobicContact CG2-CB 3.74Å
194Y94.4Very high89.3Confident4 Ų428.1 Ų28.12%0.01614%0.14CC..Hα-helixtrans-60.3-46.6176-173.4-88.6000111.5I61 F104 V107 Y108 Y190 M197 Y198 V256I61-Y194 HydrophobicContact CD1-CE1 4.43Å; F104-Y194 PolarHBondContact O-OH 2.94Å; V107-Y194 HydrophobicContact CG1-CE2 4.15Å; Y108-Y194 AromaticContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD1 3.5Å; Y108-Y194 VanDerWaalsContact CD2-CD1 3.5Å; Y108-Y194 HydrophobicContact CD2-CD2 4.35Å; Y108-Y194 AromaticContact CD2-CE1 3.88Å; Y108-Y194 HydrophobicContact CD2-CE1 3.88Å; Y108-Y194 AromaticContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CD2-CG 3.75Å; Y108-Y194 HydrophobicContact CE2-CD1 4.25Å; Y108-Y194 HydrophobicContact CE2-CG 4.37Å; Y108-Y194 HydrophobicContact CG-CD1 4.28Å; Y108-Y194 HydrophobicContact CG-CE1 4.23Å; Y190-Y194 VanDerWaalsContact O-CB 3.27Å; Y190-Y194 WeakPolarHBondContact O-CB 3.43Å; Y190-Y194 PolarHBondContact O-N 2.87Å; Y194-M197 PolarHBondContact O-N 2.83Å; Y194-Y198 WeakPolarHBondContact O-CB 3.41Å; Y194-Y198 PolarHBondContact O-N 3.3Å; Y194-V256 HydrophobicContact CD2-CG2 3.53Å; Y194-V256 HydrophobicContact CE2-CG2 3.72Å; Y194-V256 HydrophobicContact CG-CG2 4.46Å
195T92.7Very high87.6Confident6 Ų631 Ų314%0.03716%0.158CC..Hα-helixtrans-64.2-44.2179.7-56.90000111.6P57 T60 A191 V192 T193 M197 Y198 V199 L219P57-T195 WeakPolarHBondContact CG-OG1 3.2Å; T60-T195 HydrophobicContact CG2-CG2 3.88Å; T60-T195 WeakPolarHBondContact OG1-CG2 3.42Å; A191-T195 VanDerWaalsContact O-CB 3.28Å; A191-T195 WeakPolarHBondContact O-CB 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 PolarHBondContact O-OG1 3.36Å; V192-T195 PolarHBondContact O-N 3.28Å; T193-T195 PolarHBondContact O-N 3.21Å; T195-M197 VanDerWaalsContact C-N 3.33Å; T195-M197 PolarHBondContact O-N 3.45Å; T195-Y198 PolarHBondContact O-N 3.42Å; T195-V199 HydrophobicContact CG2-CG2 4.2Å; T195-V199 VanDerWaalsContact O-CB 3.32Å; T195-V199 WeakPolarHBondContact O-CB 3.34Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.13Å; T195-V199 PolarHBondContact O-N 3.41Å; T195-L219 HydrophobicContact CG2-CD1 4.03Å; T195-L219 HydrophobicContact CG2-CD2 4.4Å
196A91.1Very high85.7Confident11 Ų1139.9 Ų39.99%0.09120%0.197CC..Hα-helixtrans-61.4-41.8177.500000111.6V192 T193 T200 L219V192-A196 WeakPolarHBondContact O-CB 3.39Å; V192-A196 PolarHBondContact O-N 3.03Å; T193-A196 PolarHBondContact O-N 3.46Å; A196-T200 VanDerWaalsContact O-CB 3.29Å; A196-T200 WeakPolarHBondContact O-CB 3.25Å; A196-T200 PolarHBondContact O-N 2.89Å; A196-T200 PolarHBondContact O-OG1 3.04Å; A196-L219 HydrophobicContact CB-CD1 4.08Å
197M89.2Confident83.9Confident51 Ų5141.7 Ų41.725%0.25122%0.215SC..Hα-helixtrans-64.4-46.2174.3-70.9-177.4179.600111.7T193 Y194 T195 V199 T200 L201 T253 V256T193-M197 HydrophobicContact CG2-CE 3.79Å; T193-M197 HydrophobicContact CG2-SD 4.38Å; T193-M197 WeakPolarHBondContact O-CG 3.35Å; T193-M197 PolarHBondContact O-N 3.49Å; Y194-M197 PolarHBondContact O-N 2.83Å; T195-M197 VanDerWaalsContact C-N 3.33Å; T195-M197 PolarHBondContact O-N 3.45Å; M197-V199 PolarHBondContact O-N 3.31Å; M197-T200 PolarHBondContact O-N 2.95Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.22Å; M197-L201 PolarHBondContact O-N 3.18Å; M197-T253 HydrophobicContact CE-CG2 4.01Å; M197-T253 WeakPolarHBondContact CE-OG1 3.32Å; M197-V256 HydrophobicContact CB-CG1 4.13Å; M197-V256 HydrophobicContact CB-CG2 4.38Å; M197-V256 HydrophobicContact SD-CB 3.69Å; M197-V256 HydrophobicContact SD-CG1 3.8Å; M197-V256 HydrophobicContact SD-CG2 3.86Å
198Y87.3Confident82.2Confident7 Ų745.4 Ų45.43%0.02724%0.241CC..Hα-helixtrans-56.7-52176.3172.7-97.9000111.6I61 F104 Y194 T195 T200 L201 V202I61-Y198 HydrophobicContact CB-CE1 4.31Å; I61-Y198 HydrophobicContact CG1-CD1 4.18Å; I61-Y198 HydrophobicContact CG1-CD2 4.34Å; I61-Y198 HydrophobicContact CG1-CE1 3.99Å; I61-Y198 HydrophobicContact CG1-CE2 4.14Å; I61-Y198 HydrophobicContact CG1-CG 4.35Å; I61-Y198 HydrophobicContact CG2-CE2 4.33Å; I61-Y198 PolarHBondContact O-OH 2.96Å; F104-Y198 HydrophobicContact CD1-CD2 4.11Å; F104-Y198 HydrophobicContact CD1-CE2 4.35Å; F104-Y198 HydrophobicContact CD2-CD2 4.38Å; F104-Y198 AromaticContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CD2-CE2 3.81Å; F104-Y198 HydrophobicContact CE1-CD2 4.16Å; F104-Y198 HydrophobicContact CE1-CE2 4.41Å; F104-Y198 HydrophobicContact CE2-CD2 4.42Å; F104-Y198 AromaticContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CE2-CE2 3.87Å; F104-Y198 HydrophobicContact CG-CD2 4.24Å; F104-Y198 HydrophobicContact CG-CE2 4.07Å; F104-Y198 HydrophobicContact CZ-CD2 4.33Å; F104-Y198 HydrophobicContact CZ-CE2 4.2Å; Y194-Y198 WeakPolarHBondContact O-CB 3.41Å; Y194-Y198 PolarHBondContact O-N 3.3Å; T195-Y198 PolarHBondContact O-N 3.42Å; Y198-T200 VanDerWaalsContact C-N 3.31Å; Y198-T200 PolarHBondContact O-N 3.2Å; Y198-L201 PolarHBondContact O-N 3.39Å; Y198-L201 VanDerWaalsContact O-N 3.12Å; Y198-V202 HydrophobicContact CD1-CG2 4.47Å; Y198-V202 HydrophobicContact CD2-CG2 3.98Å; Y198-V202 HydrophobicContact CE1-CB 4.48Å; Y198-V202 HydrophobicContact CE1-CG2 4.1Å; Y198-V202 HydrophobicContact CE2-CG2 3.57Å; Y198-V202 HydrophobicContact CG-CG2 4.42Å; Y198-V202 WeakPolarHBondContact O-CG2 3.45Å; Y198-V202 PolarHBondContact O-N 2.98Å
199V85.1Confident81.1Confident11 Ų1156.8 Ų56.87%0.06728%0.283CS..Hα-helixtrans-59.8-42.8180165.10000111.1T195 M197 L201 V202 F203 L215T195-V199 HydrophobicContact CG2-CG2 4.2Å; T195-V199 VanDerWaalsContact O-CB 3.32Å; T195-V199 WeakPolarHBondContact O-CB 3.34Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.13Å; T195-V199 PolarHBondContact O-N 3.41Å; M197-V199 PolarHBondContact O-N 3.31Å; V199-L201 VanDerWaalsContact C-N 3.27Å; V199-L201 PolarHBondContact O-N 3.18Å; V199-V202 PolarHBondContact O-N 3.36Å; V199-F203 HydrophobicContact CB-CD2 4.17Å; V199-F203 HydrophobicContact CG1-CD2 3.76Å; V199-F203 HydrophobicContact CG1-CE2 4.38Å; V199-F203 HydrophobicContact CG2-CD2 4.32Å; V199-F203 HydrophobicContact CG2-CE2 4.24Å; V199-F203 WeakPolarHBondContact O-CB 3.49Å; V199-F203 WeakPolarHBondContact O-CD2 3.47Å; V199-F203 PolarHBondContact O-N 3.36Å; V199-L215 HydrophobicContact CG1-CD2 3.13Å; V199-L215 HydrophobicContact CG1-CG 3.79Å
200T82.4Confident80.2Confident56 Ų5662.5 Ų62.534%0.34431%0.312SS..Hα-helixtrans-63.1-33.6178-60.70000112.6A196 M197 Y198A196-T200 VanDerWaalsContact O-CB 3.29Å; A196-T200 WeakPolarHBondContact O-CB 3.25Å; A196-T200 PolarHBondContact O-N 2.89Å; A196-T200 PolarHBondContact O-OG1 3.04Å; M197-T200 PolarHBondContact O-N 2.95Å; Y198-T200 VanDerWaalsContact C-N 3.31Å; Y198-T200 PolarHBondContact O-N 3.2Å
201L76.9Confident79.3Confident89 Ų8965 Ų6547%0.46633%0.327SS..Hα-helixtrans-79.3-39.5178.6-68.1171.8000112.5M197 Y198 V199M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.22Å; M197-L201 PolarHBondContact O-N 3.18Å; Y198-L201 PolarHBondContact O-N 3.39Å; Y198-L201 VanDerWaalsContact O-N 3.12Å; V199-L201 VanDerWaalsContact C-N 3.27Å; V199-L201 PolarHBondContact O-N 3.18Å
202V75.2Confident78.4Confident23 Ų2369.6 Ų69.614%0.13935%0.346CS..Hα-helixtrans-83.6-46.4-174.3174.10000112.2Y198 V199 R204Y198-V202 HydrophobicContact CD1-CG2 4.47Å; Y198-V202 HydrophobicContact CD2-CG2 3.98Å; Y198-V202 HydrophobicContact CE1-CB 4.48Å; Y198-V202 HydrophobicContact CE1-CG2 4.1Å; Y198-V202 HydrophobicContact CE2-CG2 3.57Å; Y198-V202 HydrophobicContact CG-CG2 4.42Å; Y198-V202 WeakPolarHBondContact O-CG2 3.45Å; Y198-V202 PolarHBondContact O-N 2.98Å; V199-V202 PolarHBondContact O-N 3.36Å; V202-R204 PolarHBondContact O-N 3.31Å
203F70.6Confident77.8Confident71 Ų7172.1 Ų72.131%0.31136%0.363SS..  trans-8683.8-178.8-63.9-81.3000110A67 V199 V205A67-F203 HydrophobicContact CB-CE1 4.25Å; V199-F203 HydrophobicContact CB-CD2 4.17Å; V199-F203 HydrophobicContact CG1-CD2 3.76Å; V199-F203 HydrophobicContact CG1-CE2 4.38Å; V199-F203 HydrophobicContact CG2-CD2 4.32Å; V199-F203 HydrophobicContact CG2-CE2 4.24Å; V199-F203 WeakPolarHBondContact O-CB 3.49Å; V199-F203 WeakPolarHBondContact O-CD2 3.47Å; V199-F203 PolarHBondContact O-N 3.36Å; F203-V205 HydrophobicContact CB-CG2 3.98Å; F203-V205 PolarHBondContact O-N 3.24Å
204R64.2Low77.3Confident181 Ų18174.2 Ų74.268%0.68338%0.378SS*.  trans-7565.8165.4-67.8-117.6176.1126.1-2.1109.4V202 K206V202-R204 PolarHBondContact O-N 3.31Å; R204-K206 PolarHBondContact O-N 2.96Å
205V59.4Low76.8Confident74 Ų7477.1 Ų77.145%0.44839%0.394SS..  trans-63.8110.3177.5-169.40000107.9F203 G207 V211F203-V205 HydrophobicContact CB-CG2 3.98Å; F203-V205 PolarHBondContact O-N 3.24Å; V205-G207 PolarHBondContact O-N 2.98Å; V205-V211 HydrophobicContact CB-CG1 4.49Å; V205-V211 HydrophobicContact CG1-CG1 4.49Å; V205-V211 HydrophobicContact CG2-CG1 4.3Å
206K57.4Low76.5Confident186 Ų18678.4 Ų78.481%0.80940%0.403SS*.SBendtrans-7569.2168-74.5175.4175.4174.70107.7R204R204-K206 PolarHBondContact O-N 2.96Å
207G59.9Low76.3Confident38 Ų3883.5 Ų83.539%0.39243%0.428SS..SBendtrans177.1128.1-176.900000112.8V205V205-G207 PolarHBondContact O-N 2.98Å
208S59.5Low76.3Confident80 Ų8084.1 Ų84.156%0.55944%0.441SS*.  trans50.6119.9177.2-173.90000117.1L210 V211S208-L210 PolarHBondContact O-N 3.37Å; S208-L210 PolarHBondContact OG-N 3.12Å; S208-V211 PolarHBondContact O-N 3.22Å; S208-V211 VanDerWaalsContact O-N 3.13Å
209R75.1Confident76.4Confident250 Ų25085.6 Ų85.694%0.94345%0.449SS*.THydrogen-bonded Turntrans-57.1-15.8176-62.4-176.3-179-149.91.1113.2
210L78.6Confident76.7Confident126 Ų12688.9 Ų88.966%0.6647%0.466SS*.THydrogen-bonded Turntrans-94.2-13.7-177.6-64.5173.7000114.8S208 K212 P213 S214S208-L210 PolarHBondContact O-N 3.37Å; S208-L210 PolarHBondContact OG-N 3.12Å; L210-K212 PolarHBondContact O-N 2.85Å; L210-P213 VanDerWaalsContact O-CD 3.26Å; L210-P213 WeakPolarHBondContact O-CD 3.25Å; L210-P213 VanDerWaalsContact O-CG 3.31Å; L210-P213 WeakPolarHBondContact O-CG 3.4Å; L210-S214 VanDerWaalsContact O-CB 3.31Å; L210-S214 WeakPolarHBondContact O-CB 3.05Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.5Å; L210-S214 VanDerWaalsContact O-OG 3.05Å
211V79.3Confident77.2Confident51 Ų5189 Ų8931%0.30947%0.468SS..Hα-helixtrans-66.3-37.7-175169.90000112.2V205 S208 S214 L215V205-V211 HydrophobicContact CB-CG1 4.49Å; V205-V211 HydrophobicContact CG1-CG1 4.49Å; V205-V211 HydrophobicContact CG2-CG1 4.3Å; S208-V211 PolarHBondContact O-N 3.22Å; S208-V211 VanDerWaalsContact O-N 3.13Å; V211-S214 WeakPolarHBondContact CA-OG 3.22Å; V211-S214 PolarHBondContact O-OG 3.25Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 PolarHBondContact O-N 3.44Å
212K76.2Confident77.9Confident104 Ų10488 Ų8845%0.45247%0.467SS..Hα-helixtrans-65.6-55177.6-66.9179.7179174.60112.3L210 S214 L215 C216L210-K212 PolarHBondContact O-N 2.85Å; K212-S214 VanDerWaalsContact C-N 3.33Å; K212-S214 PolarHBondContact O-N 3.14Å; K212-L215 PolarHBondContact O-N 3.18Å; K212-C216 PolarHBondContact O-N 3.28Å; K212-C216 PolarHBondContact O-SG 3.27Å; K212-C216 VanDerWaalsContact O-SG 3.37Å
213P83.8Confident78.8Confident72 Ų7287.2 Ų87.247%0.46846%0.463SS..Hα-helixtrans-65.1-34.4178.723.9-33.3000112.9L210 C216 L217L210-P213 VanDerWaalsContact O-CD 3.26Å; L210-P213 WeakPolarHBondContact O-CD 3.25Å; L210-P213 VanDerWaalsContact O-CG 3.31Å; L210-P213 WeakPolarHBondContact O-CG 3.4Å; P213-C216 PolarHBondContact O-N 3.43Å; P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.97Å
214S85.7Confident80Confident67 Ų6790 Ų9047%0.46948%0.475SS..Hα-helixtrans-65.9-39.3176.867.20000112.3L210 V211 K212 L217 A218L210-S214 VanDerWaalsContact O-CB 3.31Å; L210-S214 WeakPolarHBondContact O-CB 3.05Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.5Å; L210-S214 VanDerWaalsContact O-OG 3.05Å; V211-S214 WeakPolarHBondContact CA-OG 3.22Å; V211-S214 PolarHBondContact O-OG 3.25Å; K212-S214 VanDerWaalsContact C-N 3.33Å; K212-S214 PolarHBondContact O-N 3.14Å; S214-L217 PolarHBondContact O-N 3.36Å; S214-A218 WeakPolarHBondContact O-CB 3.32Å; S214-A218 PolarHBondContact O-N 3.42Å
215L83.8Confident81.5Confident66 Ų6685.3 Ų85.335%0.34646%0.463SS..Hα-helixtrans-69-40.7177.5-173.851.9000112.1V199 V211 K212 L217 A218 L219V199-L215 HydrophobicContact CG1-CD2 3.13Å; V199-L215 HydrophobicContact CG1-CG 3.79Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 PolarHBondContact O-N 3.44Å; K212-L215 PolarHBondContact O-N 3.18Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-A218 PolarHBondContact O-N 3.45Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.21Å; L215-L219 VanDerWaalsContact O-N 3.13Å
216C85.6Confident83.2Confident33 Ų3382.9 Ų82.922%0.22345%0.448CS..Hα-helixtrans-60.4-44.8171-68.40000111.4K212 P213 A218 L219 L220K212-C216 PolarHBondContact O-N 3.28Å; K212-C216 PolarHBondContact O-SG 3.27Å; K212-C216 VanDerWaalsContact O-SG 3.37Å; P213-C216 PolarHBondContact O-N 3.43Å; C216-A218 PolarHBondContact O-N 2.92Å; C216-L219 PolarHBondContact O-N 2.83Å; C216-L220 WeakPolarHBondContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CD1 3.44Å; C216-L220 VanDerWaalsContact O-CG 3.23Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 2.81Å
217L87.3Confident85Confident118 Ų11874.1 Ų74.162%0.61841%0.411SS*.Hα-helixtrans-62.7-42.7178.5-176.763.8000111.9P213 S214 L215 L219 L220 C221P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.97Å; S214-L217 PolarHBondContact O-N 3.36Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 3.25Å; L217-C221 WeakPolarHBondContact O-CB 3.33Å; L217-C221 PolarHBondContact O-N 3.2Å
218A89.1Confident86.7Confident63 Ų6375.5 Ų75.552%0.52141%0.411SS..Hα-helixtrans-60.8-37.9177.400000112.2S214 L215 C216 P222S214-A218 WeakPolarHBondContact O-CB 3.32Å; S214-A218 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.45Å; C216-A218 PolarHBondContact O-N 2.92Å; A218-P222 WeakPolarHBondContact O-CD 3.24Å
219L89.1Confident88.4Confident38 Ų3873 Ų7320%0.19939%0.393CS..Hα-helixtrans-74.4-36.4175.6-67.7172.8000112.7V192 T195 A196 L215 C216 L217 P222V192-L219 HydrophobicContact CB-CB 4.5Å; V192-L219 VanDerWaalsContact CG1-O 3.23Å; V192-L219 WeakPolarHBondContact CG1-O 3.29Å; T195-L219 HydrophobicContact CG2-CD1 4.03Å; T195-L219 HydrophobicContact CG2-CD2 4.4Å; A196-L219 HydrophobicContact CB-CD1 4.08Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.21Å; L215-L219 VanDerWaalsContact O-N 3.13Å; C216-L219 PolarHBondContact O-N 2.83Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.95Å; L219-P222 WeakPolarHBondContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CG 2.95Å
220L91.8Very high89.3Confident80 Ų8061.3 Ų61.342%0.41935%0.349SS..Hα-helixtrans-73.6-33.7-178.1-73.7167000113.1V192 C216 L217 A223 F224V192-L220 HydrophobicContact CG2-CD2 3.82Å; C216-L220 WeakPolarHBondContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CD1 3.44Å; C216-L220 VanDerWaalsContact O-CG 3.23Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 2.81Å; L217-L220 PolarHBondContact O-N 3.25Å; L220-A223 PolarHBondContact O-N 3.33Å; L220-F224 PolarHBondContact O-N 3.29Å
221C93.3Very high90.1Very high59 Ų5957.9 Ų57.940%0.39933%0.333SS..Hα-helixtrans-52.1-54.3-178.8-174.10000113.9L217 A223 F224 L225L217-C221 WeakPolarHBondContact O-CB 3.33Å; L217-C221 PolarHBondContact O-N 3.2Å; C221-A223 VanDerWaalsContact C-N 3.33Å; C221-A223 PolarHBondContact O-N 2.66Å; C221-F224 WeakPolarHBondContact O-CB 3.48Å; C221-F224 PolarHBondContact O-N 2.91Å; C221-L225 WeakPolarHBondContact O-CG 2.93Å; C221-L225 PolarHBondContact O-N 3.1Å
222P91.6Very high90.8Very high69 Ų6957.8 Ų57.845%0.44834%0.337SS..Hα-helixtrans-62.9-36.3179.723.7-34.3000113.2A218 L219 L225 V226A218-P222 WeakPolarHBondContact O-CD 3.24Å; L219-P222 WeakPolarHBondContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CG 2.95Å; P222-L225 PolarHBondContact O-N 3.49Å; P222-V226 WeakPolarHBondContact O-CG2 3.33Å; P222-V226 PolarHBondContact O-N 3.47Å; P222-V226 VanDerWaalsContact O-N 3.1Å
223A94.2Very high91.6Very high5 Ų553.9 Ų53.94%0.04132%0.321CS..Hα-helixtrans-64.4-41.4175.300000111.8C188 V192 L220 C221 V226 G227 F245C188-A223 HydrophobicContact CB-CB 3.83Å; V192-A223 HydrophobicContact CB-CB 4.44Å; V192-A223 HydrophobicContact CG1-CB 3.85Å; V192-A223 HydrophobicContact CG2-CB 3.78Å; L220-A223 PolarHBondContact O-N 3.33Å; C221-A223 VanDerWaalsContact C-N 3.33Å; C221-A223 PolarHBondContact O-N 2.66Å; A223-V226 PolarHBondContact O-N 2.88Å; A223-G227 PolarHBondContact O-N 2.76Å; A223-F245 WeakPolarHBondContact O-CE1 3.33Å; A223-F245 VanDerWaalsContact O-CZ 3.29Å; A223-F245 WeakPolarHBondContact O-CZ 3.42Å
224F95.2Very high92Very high129 Ų12955 Ų5557%0.56632%0.317SS*.Hα-helixtrans-62.5-42.7174.8-177.3-102.4000111.7L220 C221 V226 G227 V228 F245L220-F224 PolarHBondContact O-N 3.29Å; C221-F224 WeakPolarHBondContact O-CB 3.48Å; C221-F224 PolarHBondContact O-N 2.91Å; F224-V226 VanDerWaalsContact C-N 3.32Å; F224-V226 PolarHBondContact O-N 3.25Å; F224-G227 WeakPolarHBondContact O-CA 3.33Å; F224-G227 PolarHBondContact O-N 3.02Å; F224-V228 HydrophobicContact CD1-CG2 3.96Å; F224-V228 HydrophobicContact CE1-CG2 3.54Å; F224-V228 HydrophobicContact CZ-CG2 3.91Å; F224-V228 PolarHBondContact O-N 2.97Å; F224-F245 HydrophobicContact CD2-CE2 4.2Å
225L95.3Very high92.3Very high84 Ų8452.7 Ų52.744%0.4430%0.297SS..Hα-helixtrans-60.1-39176.9-70.2175.5000112.6C221 P222 G227 V228 V229C221-L225 WeakPolarHBondContact O-CG 2.93Å; C221-L225 PolarHBondContact O-N 3.1Å; P222-L225 PolarHBondContact O-N 3.49Å; L225-G227 VanDerWaalsContact C-N 3.29Å; L225-G227 PolarHBondContact O-N 3.01Å; L225-V228 PolarHBondContact O-N 3.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.28Å; L225-V229 PolarHBondContact O-N 3.03Å
226V95.3Very high92.8Very high22 Ų2250.3 Ų50.313%0.13329%0.285CS..Hα-helixtrans-59-42.9173.1172.80000110.9I49 D184 P222 A223 F224 V229 R230I49-V226 HydrophobicContact CD1-CG1 4.04Å; I49-V226 HydrophobicContact CG1-CG1 4.33Å; D184-V226 HydrophobicContact CB-CG1 4.36Å; P222-V226 WeakPolarHBondContact O-CG2 3.33Å; P222-V226 PolarHBondContact O-N 3.47Å; P222-V226 VanDerWaalsContact O-N 3.1Å; A223-V226 PolarHBondContact O-N 2.88Å; F224-V226 VanDerWaalsContact C-N 3.32Å; F224-V226 PolarHBondContact O-N 3.25Å; V226-V229 PolarHBondContact O-N 3.27Å; V226-R230 WeakPolarHBondContact O-CG 3.26Å; V226-R230 PolarHBondContact O-N 2.92Å
227G95.1Very high93.1Very high2 Ų250.6 Ų50.62%0.02128%0.283CS..Hα-helixtrans-60.8-45.6174.500000112.8A223 F224 L225 V229 R230 V231A223-G227 PolarHBondContact O-N 2.76Å; F224-G227 WeakPolarHBondContact O-CA 3.33Å; F224-G227 PolarHBondContact O-N 3.02Å; L225-G227 VanDerWaalsContact C-N 3.29Å; L225-G227 PolarHBondContact O-N 3.01Å; G227-V229 VanDerWaalsContact C-N 3.35Å; G227-V229 PolarHBondContact O-N 3.35Å; G227-R230 PolarHBondContact O-N 2.96Å; G227-V231 PolarHBondContact O-N 3.21Å; G227-V231 VanDerWaalsContact O-N 3.16Å
228V95.9Very high93.5Very high67 Ų6753.7 Ų53.741%0.40629%0.287SS..Hα-helixtrans-60.5-43.7176.4174.40000111.3F224 L225 R230 V231 A232F224-V228 HydrophobicContact CD1-CG2 3.96Å; F224-V228 HydrophobicContact CE1-CG2 3.54Å; F224-V228 HydrophobicContact CZ-CG2 3.91Å; F224-V228 PolarHBondContact O-N 2.97Å; L225-V228 PolarHBondContact O-N 3.32Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; V228-V231 PolarHBondContact O-N 3.45Å; V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.02Å
229V95.3Very high93.8Very high29 Ų2953.1 Ų53.118%0.17628%0.279CS..Hα-helixtrans-60.9-40.9177.1170.50000111.1R43 A44 L225 V226 G227 V231 A232 E233R43-V229 HydrophobicContact CB-CG1 3.98Å; A44-V229 HydrophobicContact CB-CB 4.41Å; A44-V229 HydrophobicContact CB-CG1 3.83Å; L225-V229 WeakPolarHBondContact O-CG2 3.28Å; L225-V229 PolarHBondContact O-N 3.03Å; V226-V229 PolarHBondContact O-N 3.27Å; G227-V229 VanDerWaalsContact C-N 3.35Å; G227-V229 PolarHBondContact O-N 3.35Å; V229-V231 VanDerWaalsContact C-N 3.33Å; V229-V231 PolarHBondContact O-N 2.88Å; V229-A232 PolarHBondContact O-N 2.84Å; V229-E233 HydrophobicContact CG1-CG 4.21Å; V229-E233 WeakPolarHBondContact O-CB 3.47Å; V229-E233 WeakPolarHBondContact O-CG 3.12Å; V229-E233 PolarHBondContact O-N 3.21Å
230R94.6Very high94.1Very high4 Ų451.4 Ų51.42%0.01527%0.27CS..Hα-helixtrans-63-37.5178.1-71.8-72.5179.2-113.82.9113S42 A44 I49 D184 V226 G227 V228 E233 R235 N236 V241S42-R230 PolarHBondContact OG-NH1 3.26Å; A44-R230 PolarHBondContact O-NH1 2.9Å; A44-R230 VanDerWaalsContact O-NH1 3.12Å; A44-R230 PolarHBondContact O-NH2 3.16Å; I49-R230 VanDerWaalsContact CD1-NH2 3.25Å; D184-R230 IonicContact OD2-CZ 3.67Å; D184-R230 IonicContact OD2-NE 3.82Å; D184-R230 PolarHBondContact OD2-NE 2.91Å; D184-R230 IonicContact OD2-NH2 2.75Å; D184-R230 PolarHBondContact OD2-NH2 3.42Å; V226-R230 WeakPolarHBondContact O-CG 3.26Å; V226-R230 PolarHBondContact O-N 2.92Å; G227-R230 PolarHBondContact O-N 2.96Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 2.89Å; R230-E233 IonicContact NH1-OE2 3.72Å; R230-R235 PolarHBondContact O-N 3.42Å; R230-N236 PolarHBondContact O-N 2.04Å; R230-V241 HydrophobicContact CB-CG2 4.23Å
231V94.9Very high94.3Very high53 Ų5348 Ų4832%0.32125%0.252SS..Hα-helixtrans-72.8-44.9173.8-179.10000111G227 V228 V229 E233 Y234 W238 V241G227-V231 PolarHBondContact O-N 3.21Å; G227-V231 VanDerWaalsContact O-N 3.16Å; V228-V231 PolarHBondContact O-N 3.45Å; V229-V231 VanDerWaalsContact C-N 3.33Å; V229-V231 PolarHBondContact O-N 2.88Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.41Å; V231-Y234 PolarHBondContact O-N 3.47Å; V231-W238 HydrophobicContact CG2-CB 4.3Å; V231-V241 HydrophobicContact CG2-CB 4.44Å; V231-V241 HydrophobicContact CG2-CG2 3.84Å
232A93.4Very high94.5Very high49 Ų4949.2 Ų49.241%0.40525%0.254SS..Hα-helixtrans-64.6-30.3-177.500000113.2V228 V229 Y234V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.47Å; V228-A232 PolarHBondContact O-N 3.02Å; V229-A232 PolarHBondContact O-N 2.84Å; A232-Y234 VanDerWaalsContact C-N 3.29Å
233E92.9Very high94.7Very high23 Ų2346.9 Ų46.911%0.10724%0.241CC..THydrogen-bonded Turntrans-89.410.8174.8-65179.8149.400113.1P36 S42 R43 V229 R230 V231 R235P36-E233 WeakPolarHBondContact CB-O 3.2Å; P36-E233 WeakPolarHBondContact CG-O 3.47Å; S42-E233 WeakPolarHBondContact CA-OE1 3.35Å; S42-E233 PolarHBondContact OG-OE1 3.1Å; S42-E233 PolarHBondContact OG-OE2 2.68Å; R43-E233 PolarHBondContact N-OE1 3.33Å; V229-E233 HydrophobicContact CG1-CG 4.21Å; V229-E233 WeakPolarHBondContact O-CB 3.47Å; V229-E233 WeakPolarHBondContact O-CG 3.12Å; V229-E233 PolarHBondContact O-N 3.21Å; R230-E233 IonicContact NH1-OE2 3.72Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.41Å; E233-R235 HydrophobicContact CB-CG 4.24Å; E233-R235 PolarHBondContact O-N 2.94Å; E233-R235 IonicContact OE1-NH1 3.56Å; E233-R235 IonicContact OE2-CZ 3.91Å; E233-R235 IonicContact OE2-NH1 3.03Å; E233-R235 PolarHBondContact OE2-NH1 3.2Å
234Y92.3Very high94.9Very high96 Ų9646.7 Ų46.738%0.37624%0.239SC..THydrogen-bonded Turntrans56.524.4179.6-50.6-61.7000114.1K33 P34 P131 H132 V231 A232K33-Y234 HydrophobicContact CB-CD1 4.16Å; K33-Y234 HydrophobicContact CB-CD2 4.11Å; K33-Y234 HydrophobicContact CB-CG 3.8Å; K33-Y234 HydrophobicContact CD-CD1 4.2Å; K33-Y234 HydrophobicContact CD-CE1 4.16Å; K33-Y234 HydrophobicContact CG-CD1 3.86Å; K33-Y234 HydrophobicContact CG-CE1 4.33Å; K33-Y234 HydrophobicContact CG-CG 4.03Å; P34-Y234 HydrophobicContact CG-CD2 4.44Å; P34-Y234 HydrophobicContact CG-CE2 4.36Å; P131-Y234 WeakPolarHBondContact CD-O 3.47Å; H132-Y234 PolarHBondContact ND1-O 3.2Å; V231-Y234 PolarHBondContact O-N 3.47Å; A232-Y234 VanDerWaalsContact C-N 3.29Å
235R91.8Very high95Very high18 Ų1842.3 Ų42.37%0.06822%0.22CC..SBendtrans-82.7-28.6-179.3-73.4-169.4164.189.86.8112.3P36 G37 P38 S42 T130 R230 E233P36-R235 HydrophobicContact CG-CG 4.02Å; P36-R235 PolarHBondContact O-NH2 3.04Å; G37-R235 PolarHBondContact O-NH2 3.44Å; P38-R235 PolarHBondContact O-NH2 3.29Å; S42-R235 PolarHBondContact OG-NH1 3.02Å; T130-R235 VanDerWaalsContact CG2-O 3.25Å; T130-R235 WeakPolarHBondContact CG2-O 3.39Å; R230-R235 PolarHBondContact O-N 3.42Å; E233-R235 HydrophobicContact CB-CG 4.24Å; E233-R235 PolarHBondContact O-N 2.94Å; E233-R235 IonicContact OE1-NH1 3.56Å; E233-R235 IonicContact OE2-CZ 3.91Å; E233-R235 IonicContact OE2-NH1 3.03Å; E233-R235 PolarHBondContact OE2-NH1 3.2Å
236N94.3Very high95.1Very high15 Ų1543.5 Ų43.58%0.0823%0.226CC..SBendtrans-143.3154.7178.6-6397.5000110.4A179 C182 R230 D240 V241A179-N236 PolarHBondContact O-ND2 3.24Å; C182-N236 HydrophobicContact CB-CB 4.45Å; R230-N236 PolarHBondContact O-N 2.04Å; N236-D240 HydrophobicContact CB-CB 4.19Å; N236-V241 HydrophobicContact CB-CG2 3.96Å
237H93.6Very high95.2Very high40 Ų4044.8 Ų44.819%0.18523%0.234CC..  trans-71.8157.9165.6-57.292.1000110.3Y31 P129 S239 D240 V241Y31-H237 AromaticContact CE1-CE1 3.8Å; Y31-H237 AromaticContact CE1-NE2 3.79Å; P129-H237 PolarHBondContact O-CE1 3.11Å; P129-H237 VanDerWaalsContact O-CE1 3.27Å; H237-S239 PolarHBondContact O-N 2.88Å; H237-D240 WeakPolarHBondContact CB-OD2 3.38Å; H237-D240 IonicContact CG-OD2 3.64Å; H237-D240 PolarHBondContact N-OD2 3.34Å; H237-D240 IonicContact ND1-OD2 2.63Å; H237-D240 PolarHBondContact ND1-OD2 3.47Å; H237-D240 WeakPolarHBondContact O-CB 3.34Å; H237-D240 PolarHBondContact O-N 3.18Å; H237-V241 PolarHBondContact O-N 3.07Å
238W94.9Very high95.3Very high183 Ų18344.7 Ų44.769%0.69323%0.233SC*.Hα-helixtrans-60.6-33.8175.968.5-92.1000112.1V231 V241 L242V231-W238 HydrophobicContact CG2-CB 4.3Å; W238-V241 PolarHBondContact O-N 3.48Å; W238-L242 HydrophobicContact CZ3-CD2 4.19Å; W238-L242 PolarHBondContact O-N 2.84Å
239S95.1Very high95.3Very high51 Ų5142.9 Ų42.936%0.35723%0.225SC..Hα-helixtrans-66-40.8175.7500000112H237 V241 L242 A243H237-S239 PolarHBondContact O-N 2.88Å; S239-V241 VanDerWaalsContact C-N 3.3Å; S239-V241 PolarHBondContact O-N 3.18Å; S239-L242 PolarHBondContact O-N 3.15Å; S239-A243 WeakPolarHBondContact O-CB 3.31Å; S239-A243 PolarHBondContact O-N 3.32Å
240D95.4Very high95.4Very high2 Ų244.3 Ų44.31%0.01124%0.24CC..Hα-helixtrans-63.2-38.5177.3-53.5-30.5000111.3A179 F180 C182 N236 H237 G244A179-D240 WeakPolarHBondContact O-CB 3.06Å; F180-D240 HydrophobicContact CD2-CB 4.39Å; F180-D240 WeakPolarHBondContact CD2-OD1 3.42Å; C182-D240 WeakPolarHBondContact CB-O 3.41Å; C182-D240 PolarHBondContact N-O 3.18Å; N236-D240 HydrophobicContact CB-CB 4.19Å; H237-D240 WeakPolarHBondContact CB-OD2 3.38Å; H237-D240 IonicContact CG-OD2 3.64Å; H237-D240 PolarHBondContact N-OD2 3.34Å; H237-D240 IonicContact ND1-OD2 2.63Å; H237-D240 PolarHBondContact ND1-OD2 3.47Å; H237-D240 WeakPolarHBondContact O-CB 3.34Å; H237-D240 PolarHBondContact O-N 3.18Å; D240-G244 PolarHBondContact O-N 3.3Å
241V97Very high95.5Very high8 Ų845.1 Ų45.15%0.04825%0.245CC..Hα-helixtrans-68-45.5176173.80000110.9C182 A185 R230 V231 N236 H237 W238 S239 A243 G244 F245C182-V241 HydrophobicContact CB-CB 4.48Å; C182-V241 HydrophobicContact CB-CG2 4.01Å; A185-V241 HydrophobicContact CB-CG1 4.01Å; R230-V241 HydrophobicContact CB-CG2 4.23Å; V231-V241 HydrophobicContact CG2-CB 4.44Å; V231-V241 HydrophobicContact CG2-CG2 3.84Å; N236-V241 HydrophobicContact CB-CG2 3.96Å; H237-V241 PolarHBondContact O-N 3.07Å; W238-V241 PolarHBondContact O-N 3.48Å; S239-V241 VanDerWaalsContact C-N 3.3Å; S239-V241 PolarHBondContact O-N 3.18Å; V241-A243 PolarHBondContact O-N 3.12Å; V241-G244 PolarHBondContact O-N 3.24Å; V241-F245 HydrophobicContact CG1-CD2 4.02Å; V241-F245 HydrophobicContact CG1-CE2 3.57Å; V241-F245 HydrophobicContact CG1-CZ 3.95Å; V241-F245 PolarHBondContact O-N 2.04Å
242L96.9Very high95.5Very high85 Ų8542.6 Ų42.645%0.44523%0.229SC..Hα-helixtrans-60.6-45.3176.4-179.861000111.6W238 S239 G244 F245 L246W238-L242 HydrophobicContact CZ3-CD2 4.19Å; W238-L242 PolarHBondContact O-N 2.84Å; S239-L242 PolarHBondContact O-N 3.15Å; L242-G244 VanDerWaalsContact C-N 3.29Å; L242-G244 PolarHBondContact O-N 3.39Å; L242-F245 PolarHBondContact O-N 3.36Å; L242-L246 HydrophobicContact CD1-CD1 4.35Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.38Å
243A96.6Very high95.5Very high20 Ų2042.9 Ų42.917%0.16523%0.226CC..Hα-helixtrans-60.2-40.3175.200000111.8F180 P181 S239 V241 T247F180-A243 HydrophobicContact CD2-CB 4.33Å; F180-A243 HydrophobicContact CE2-CB 3.47Å; F180-A243 VanDerWaalsContact CE2-CB 3.47Å; F180-A243 HydrophobicContact CZ-CB 3.93Å; P181-A243 HydrophobicContact CB-CB 4.39Å; S239-A243 WeakPolarHBondContact O-CB 3.31Å; S239-A243 PolarHBondContact O-N 3.32Å; V241-A243 PolarHBondContact O-N 3.12Å; A243-T247 WeakPolarHBondContact O-CB 3.36Å; A243-T247 PolarHBondContact O-N 2.65Å; A243-T247 PolarHBondContact O-OG1 2.78Å
244G96.9Very high95.5Very high0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-58-53.7172.600000112A186 D240 V241 L242 L246 T247 G248A186-G244 WeakPolarHBondContact CA-O 3.09Å; A186-G244 WeakPolarHBondContact CB-O 3.2Å; D240-G244 PolarHBondContact O-N 3.3Å; V241-G244 PolarHBondContact O-N 3.24Å; L242-G244 VanDerWaalsContact C-N 3.29Å; L242-G244 PolarHBondContact O-N 3.39Å; G244-L246 PolarHBondContact O-N 3.01Å; G244-T247 PolarHBondContact O-N 3.23Å; G244-G248 PolarHBondContact O-N 2.63Å
245F97.6Very high95.5Very high37 Ų3743.5 Ų43.516%0.16223%0.231CC..Hα-helixtrans-57.8-45.7178.7-71.3-32.1000113A185 A189 A223 F224 V241 L242 T247 G248 A249A185-F245 HydrophobicContact CB-CD1 3.75Å; A185-F245 HydrophobicContact CB-CE1 3.67Å; A185-F245 HydrophobicContact CB-CG 4.41Å; A185-F245 HydrophobicContact CB-CZ 4.26Å; A185-F245 VanDerWaalsContact O-CD1 3.3Å; A185-F245 WeakPolarHBondContact O-CD1 3.08Å; A189-F245 HydrophobicContact CB-CB 4.31Å; A189-F245 HydrophobicContact CB-CD1 3.8Å; A189-F245 WeakPolarHBondContact CB-O 3.46Å; A223-F245 WeakPolarHBondContact O-CE1 3.33Å; A223-F245 VanDerWaalsContact O-CZ 3.29Å; A223-F245 WeakPolarHBondContact O-CZ 3.42Å; F224-F245 HydrophobicContact CD2-CE2 4.2Å; V241-F245 HydrophobicContact CG1-CD2 4.02Å; V241-F245 HydrophobicContact CG1-CE2 3.57Å; V241-F245 HydrophobicContact CG1-CZ 3.95Å; V241-F245 PolarHBondContact O-N 2.04Å; L242-F245 PolarHBondContact O-N 3.36Å; F245-T247 PolarHBondContact O-N 2.99Å; F245-G248 PolarHBondContact O-N 3.44Å; F245-A249 VanDerWaalsContact O-CB 3.26Å; F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 2.94Å
246L97.4Very high95.3Very high110 Ų11043.4 Ų43.458%0.57623%0.232SC*.Hα-helixtrans-61.9-44.2177.8-70.3173.3000111.6L242 G244 A250L242-L246 HydrophobicContact CD1-CD1 4.35Å; L242-L246 HydrophobicContact CD1-CG 4.34Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.38Å; G244-L246 PolarHBondContact O-N 3.01Å; L246-A250 WeakPolarHBondContact O-CB 3.13Å; L246-A250 PolarHBondContact O-N 3.07Å
247T96.9Very high94.9Very high49 Ų4946.2 Ų46.230%0.30125%0.25SC..Hα-helixtrans-62.8-49.2179.4-56.40000111.2A243 G244 F245 A250 I251A243-T247 WeakPolarHBondContact O-CB 3.36Å; A243-T247 PolarHBondContact O-N 2.65Å; A243-T247 PolarHBondContact O-OG1 2.78Å; G244-T247 PolarHBondContact O-N 3.23Å; F245-T247 PolarHBondContact O-N 2.99Å; T247-A250 PolarHBondContact O-N 2.58Å; T247-I251 HydrophobicContact CG2-CD1 3.94Å; T247-I251 VanDerWaalsContact O-CG1 3.29Å; T247-I251 WeakPolarHBondContact O-CG1 3.1Å; T247-I251 PolarHBondContact O-N 3.31Å
248G97.1Very high94.4Very high0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-62.2-45.3178.800000112.9A186 G244 F245 I251 A252A186-G248 WeakPolarHBondContact O-CA 3.23Å; G244-G248 PolarHBondContact O-N 2.63Å; F245-G248 PolarHBondContact O-N 3.44Å; G248-I251 PolarHBondContact O-N 2.82Å; G248-A252 WeakPolarHBondContact O-CB 3.27Å; G248-A252 PolarHBondContact O-N 3.16Å
249A96.8Very high93.6Very high29 Ų2940 Ų4024%0.2424%0.236CC..Hα-helixtrans-65.3-39.5178.100000112.4F245 A252 T253F245-A249 VanDerWaalsContact O-CB 3.26Å; F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 3.11Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.34Å; A249-T253 PolarHBondContact O-N 3.2Å; A249-T253 PolarHBondContact O-OG1 3.34Å
250A96.8Very high92.6Very high59 Ų5937.7 Ų37.749%0.48822%0.22SC..Hα-helixtrans-63.7-46.4176.800000111.5L246 T247 T253 F254L246-A250 WeakPolarHBondContact O-CB 3.13Å; L246-A250 PolarHBondContact O-N 3.07Å; T247-A250 PolarHBondContact O-N 2.58Å; A250-T253 PolarHBondContact O-N 3.49Å; A250-F254 VanDerWaalsContact O-CB 3.31Å; A250-F254 WeakPolarHBondContact O-CB 3.19Å; A250-F254 PolarHBondContact O-N 3.01Å
251I96.2Very high91.3Very high21 Ų2142.8 Ų42.811%0.10824%0.244CC..Hα-helixtrans-62.2-45.7177.2-65.8167.6000110.7T114 T115 F118 Y190 T247 G248 T253 F254 L255T114-I251 HydrophobicContact CG2-CG2 4.4Å; T115-I251 HydrophobicContact CG2-CD1 4.37Å; F118-I251 HydrophobicContact CB-CD1 4.44Å; F118-I251 HydrophobicContact CD2-CD1 4.02Å; F118-I251 HydrophobicContact CG-CD1 4.45Å; Y190-I251 HydrophobicContact CD2-CB 4.35Å; Y190-I251 HydrophobicContact CD2-CG2 4.04Å; Y190-I251 HydrophobicContact CE2-CG2 4.01Å; T247-I251 HydrophobicContact CG2-CD1 3.94Å; T247-I251 VanDerWaalsContact O-CG1 3.29Å; T247-I251 WeakPolarHBondContact O-CG1 3.1Å; T247-I251 PolarHBondContact O-N 3.31Å; G248-I251 PolarHBondContact O-N 2.82Å; I251-T253 PolarHBondContact O-N 3.07Å; I251-F254 PolarHBondContact O-N 3.11Å; I251-L255 HydrophobicContact CG2-CD1 3.88Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.29Å
252A95.7Very high89.7Confident0 Ų047.1 Ų47.10%027%0.267CS..Hα-helixtrans-59.3-48.517700000111.6Y190 T193 G248 A249 F254 L255 V256Y190-A252 HydrophobicContact CD2-CB 3.65Å; Y190-A252 HydrophobicContact CE2-CB 3.93Å; T193-A252 HydrophobicContact CG2-CB 3.74Å; G248-A252 WeakPolarHBondContact O-CB 3.27Å; G248-A252 PolarHBondContact O-N 3.16Å; A249-A252 PolarHBondContact O-N 3.11Å; A252-F254 PolarHBondContact O-N 3.33Å; A252-L255 PolarHBondContact O-N 3.12Å; A252-V256 WeakPolarHBondContact O-CG2 3.49Å; A252-V256 PolarHBondContact O-N 2.96Å
253T93.6Very high87.7Confident54 Ų5449.7 Ų49.733%0.33128%0.275SS..Hα-helixtrans-62.1-44.9179.9-56.60000111.5M197 A249 A250 I251 V256 T257M197-T253 HydrophobicContact CE-CG2 4.01Å; M197-T253 WeakPolarHBondContact CE-OG1 3.32Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.34Å; A249-T253 PolarHBondContact O-N 3.2Å; A249-T253 PolarHBondContact O-OG1 3.34Å; A250-T253 PolarHBondContact O-N 3.49Å; I251-T253 PolarHBondContact O-N 3.07Å; T253-V256 PolarHBondContact O-N 2.65Å; T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CB 3.41Å; T253-T257 WeakPolarHBondContact O-CG2 3.17Å; T253-T257 PolarHBondContact O-N 3.22Å; T253-T257 PolarHBondContact O-OG1 3.29Å
254F93.6Very high85.8Confident127 Ų12754 Ų5456%0.55729%0.291SS*.Hα-helixtrans-60.7-46.2176.9174.4-101.3000111.5A250 I251 A252 C258A250-F254 VanDerWaalsContact O-CB 3.31Å; A250-F254 WeakPolarHBondContact O-CB 3.19Å; A250-F254 PolarHBondContact O-N 3.01Å; I251-F254 PolarHBondContact O-N 3.11Å; A252-F254 PolarHBondContact O-N 3.33Å; F254-C258 HydrophobicContact CD2-CB 4.17Å; F254-C258 VanDerWaalsContact CD2-SG 3.54Å; F254-C258 HydrophobicContact CE2-CB 3.97Å; F254-C258 VanDerWaalsContact CE2-SG 3.56Å; F254-C258 HydrophobicContact CZ-CB 4.26Å; F254-C258 WeakPolarHBondContact O-CA 3.43Å; F254-C258 WeakPolarHBondContact O-CB 3.4Å; F254-C258 PolarHBondContact O-N 2.92Å
255L91.6Very high83.2Confident6 Ų656.9 Ų56.93%0.03131%0.311CS..Iπ-helixtrans-68.4-41-179.6-68.8173.6000112.3V107 F110 Y190 I251 A252 V259 V260V107-L255 HydrophobicContact CG1-CB 4.31Å; F110-L255 HydrophobicContact CD1-CD1 4.36Å; F110-L255 HydrophobicContact CD1-CD2 3.94Å; F110-L255 HydrophobicContact CE1-CD2 3.82Å; Y190-L255 HydrophobicContact CE2-CD1 4.11Å; I251-L255 HydrophobicContact CG2-CD1 3.88Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.29Å; A252-L255 PolarHBondContact O-N 3.12Å; L255-V259 HydrophobicContact CD2-CG2 3.81Å; L255-V259 WeakPolarHBondContact O-CA 3.06Å; L255-V259 WeakPolarHBondContact O-CB 3.26Å; L255-V259 PolarHBondContact O-N 3.31Å; L255-V260 PolarHBondContact O-N 3.39Å; L255-V260 VanDerWaalsContact O-N 3.15Å
256V87.6Confident80.2Confident16 Ų1665.9 Ų65.910%0.09734%0.344CS..Iπ-helixtrans-68.1-45.2178.4175.80000111Y194 M197 A252 T253 V260 H261Y194-V256 HydrophobicContact CD2-CG2 3.53Å; Y194-V256 HydrophobicContact CE2-CG2 3.72Å; Y194-V256 HydrophobicContact CG-CG2 4.46Å; M197-V256 HydrophobicContact CB-CG1 4.13Å; M197-V256 HydrophobicContact CB-CG2 4.38Å; M197-V256 HydrophobicContact SD-CB 3.69Å; M197-V256 HydrophobicContact SD-CG1 3.8Å; M197-V256 HydrophobicContact SD-CG2 3.86Å; A252-V256 WeakPolarHBondContact O-CG2 3.49Å; A252-V256 PolarHBondContact O-N 2.96Å; T253-V256 PolarHBondContact O-N 2.65Å; V256-V260 VanDerWaalsContact O-CB 3.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 PolarHBondContact O-N 3.46Å; V256-H261 PolarHBondContact O-N 3.34Å; V256-H261 VanDerWaalsContact O-N 3.13Å
257T85.2Confident77.6Confident73 Ų7365.7 Ų65.745%0.44835%0.35SS..Iπ-helixtrans-74.9-48.4-178.954.80000112.1T253 H261T253-T257 HydrophobicContact CG2-CG2 4.32Å; T253-T257 WeakPolarHBondContact O-CB 3.41Å; T253-T257 WeakPolarHBondContact O-CG2 3.17Å; T253-T257 PolarHBondContact O-N 3.22Å; T253-T257 PolarHBondContact O-OG1 3.29Å; T257-H261 WeakPolarHBondContact O-CB 3.37Å
258C82.9Confident74.8Confident51 Ų5172 Ų7235%0.34538%0.376SS..Iπ-helixtrans-83-31-175.5-590000113.7F254 N262F254-C258 HydrophobicContact CD2-CB 4.17Å; F254-C258 VanDerWaalsContact CD2-SG 3.54Å; F254-C258 HydrophobicContact CE2-CB 3.97Å; F254-C258 VanDerWaalsContact CE2-SG 3.56Å; F254-C258 HydrophobicContact CZ-CB 4.26Å; F254-C258 WeakPolarHBondContact O-CA 3.43Å; F254-C258 WeakPolarHBondContact O-CB 3.4Å; F254-C258 PolarHBondContact O-N 2.92Å; C258-N262 VanDerWaalsContact O-CB 3.3Å; C258-N262 WeakPolarHBondContact O-CB 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å
259V79.7Confident72.3Confident42 Ų4278.2 Ų78.226%0.25542%0.419SS..Iπ-helixtrans-95.7-56.7-179.9-173.70000110.2V107 L255 F263V107-V259 HydrophobicContact CG2-CG1 4.04Å; L255-V259 HydrophobicContact CD2-CG2 3.81Å; L255-V259 WeakPolarHBondContact O-CA 3.06Å; L255-V259 WeakPolarHBondContact O-CB 3.26Å; L255-V259 PolarHBondContact O-N 3.31Å; V259-F263 HydrophobicContact CG1-CD2 4.11Å; V259-F263 HydrophobicContact CG1-CE2 3.68Å; V259-F263 WeakPolarHBondContact O-CD2 3.25Å; V259-F263 PolarHBondContact O-N 3.15Å
260V72.6Confident69.8Low3 Ų380.1 Ų80.12%0.01844%0.441CS..Iπ-helixtrans-70.7-40.4-171.3-179.70000112.4R103 F104 V107 L255 V256R103-V260 PolarHBondContact NH2-O 2.96Å; F104-V260 HydrophobicContact CE1-CG1 3.89Å; V107-V260 HydrophobicContact CG1-CG2 4.08Å; L255-V260 PolarHBondContact O-N 3.39Å; L255-V260 VanDerWaalsContact O-N 3.15Å; V256-V260 VanDerWaalsContact O-CB 3.28Å; V256-V260 WeakPolarHBondContact O-CB 3.41Å; V256-V260 PolarHBondContact O-N 3.46Å
261H69.1Low66.7Low108 Ų10887.8 Ų87.850%0.546%0.457SS..Iπ-helixtrans-75.6-36.8180-163.1-89.2000113V256 T257 F263 Q264 S265V256-H261 PolarHBondContact O-N 3.34Å; V256-H261 VanDerWaalsContact O-N 3.13Å; T257-H261 WeakPolarHBondContact O-CB 3.37Å; H261-F263 VanDerWaalsContact C-N 3.26Å; H261-F263 PolarHBondContact O-N 2.99Å; H261-Q264 CarbonylContact O-C 3.56Å; H261-Q264 WeakPolarHBondContact O-CA 3.38Å; H261-Q264 WeakPolarHBondContact O-CB 3.4Å; H261-Q264 PolarHBondContact O-N 2.91Å; H261-S265 PolarHBondContact CE1-OG 3.22Å; H261-S265 VanDerWaalsContact CE1-OG 3.23Å; H261-S265 PolarHBondContact ND1-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.45Å; H261-S265 PolarHBondContact O-OG 3.38Å; H261-S265 VanDerWaalsContact O-OG 3.12Å
262N62.5Low63.9Low100 Ų10098.6 Ų98.654%0.53550%0.497SS..THydrogen-bonded Turntrans-60.9-35.2176.4-91-66000112.9C258 Q264 S265C258-N262 VanDerWaalsContact O-CB 3.3Å; C258-N262 WeakPolarHBondContact O-CB 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å; N262-Q264 PolarHBondContact O-N 3.4Å; N262-S265 PolarHBondContact O-N 3.14Å
263F56Low61.2Low139 Ų139104.9 Ų104.961%0.6153%0.53SS*.THydrogen-bonded Turntrans-71.2-14.5172.2-75.5-60.6000113.7R103 V259 H261R103-F263 VanDerWaalsContact CZ-CB 3.44Å; V259-F263 HydrophobicContact CG1-CD2 4.11Å; V259-F263 HydrophobicContact CG1-CE2 3.68Å; V259-F263 WeakPolarHBondContact O-CD2 3.25Å; V259-F263 PolarHBondContact O-N 3.15Å; H261-F263 VanDerWaalsContact C-N 3.26Å; H261-F263 PolarHBondContact O-N 2.99Å
264Q57.1Low58.3Low110 Ų110106.9 Ų106.951%0.51455%0.546SS..THydrogen-bonded Turntrans-91-29.3172-64.3176.740.400111.8H261 N262 R266H261-Q264 CarbonylContact O-C 3.56Å; H261-Q264 WeakPolarHBondContact O-CA 3.38Å; H261-Q264 WeakPolarHBondContact O-CB 3.4Å; H261-Q264 PolarHBondContact O-N 2.91Å; N262-Q264 PolarHBondContact O-N 3.4Å; Q264-R266 PolarHBondContact O-N 2.92Å
265S40.9Very low55.4Low61 Ų61106.5 Ų106.543%0.42756%0.556SS.*SBendtrans-85.813.3-175.8-53.50000115.9H261 N262 P267H261-S265 PolarHBondContact CE1-OG 3.22Å; H261-S265 VanDerWaalsContact CE1-OG 3.23Å; H261-S265 PolarHBondContact ND1-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.45Å; H261-S265 PolarHBondContact O-OG 3.38Å; H261-S265 VanDerWaalsContact O-OG 3.12Å; N262-S265 PolarHBondContact O-N 3.14Å; S265-P267 WeakPolarHBondContact O-CD 3.35Å
266R35.5Very low52.8Low225 Ų225116.6 Ų116.685%0.84959%0.594SS**  trans-99.677.3164.3-81-175170.2179.5-2.3110.7Q264Q264-R266 PolarHBondContact O-N 2.92Å
267P42.6Very low50.4Low106 Ų106124.8 Ų124.869%0.68863%0.631SS**  trans-64.2140151.826.3-22.6000107.5S265 S269S265-P267 WeakPolarHBondContact O-CD 3.35Å; P267-S269 VanDerWaalsContact C-N 3.33Å; P267-S269 PolarHBondContact O-N 3.2Å
268H37.9Very low47.8Very low183 Ų183129.1 Ų129.185%0.84765%0.651SS**  trans-56.698.4170.5-8551.4000108.9G270H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 2.9Å
269S44.2Very low45.7Very low130 Ų130133.7 Ų133.791%0.90967%0.672SS**  trans-68.496.6160.4179.50000106.4P267P267-S269 VanDerWaalsContact C-N 3.33Å; P267-S269 PolarHBondContact O-N 3.2Å
270G44.4Very low43.4Very low68 Ų68137.5 Ų137.570%0.70170%0.7SS**  trans-172.838.9-172.100000115.6H268H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 2.9Å
271R32.4Very low41.5Very low221 Ų221146.5 Ų146.583%0.83474%0.742SS**  trans-167.985.8143.9-151.1161.8169.4171.2-6.2110.2L273R271-L273 HydrophobicContact CG-CD1 4.13Å; R271-L273 PolarHBondContact O-N 3.03Å
272R37.7Very low39.6Very low247 Ų247146 Ų14693%0.93276%0.757SS**  trans-84.8101.6162-165.8-163.6-65.1-1215.6106.3
273L38.3Very low38.4Very low133 Ų133147 Ų14770%0.69677%0.769SS**  trans-119.9137.4158.1-93.7143.4000106.6R271R271-L273 HydrophobicContact CG-CD1 4.13Å; R271-L273 PolarHBondContact O-N 3.03Å
274S32.5Very low37.1Very low96 Ų96147.9 Ų147.967%0.67179%0.786SS**  trans-66.3147.2-149.341.70000116.2W276S274-W276 PolarHBondContact O-N 3.38Å
275P33.8Very low35.6Very low118 Ų118150.4 Ų150.477%0.76680%0.799SS**SBendtrans-8992.2164.610.37.3000110.6
276W35.8Very low35Very low218 Ų218153.7 Ų153.783%0.82681%0.812SS**  trans-165.555.7162-86.9107.8000110.7S274 L279S274-W276 PolarHBondContact O-N 3.38Å; W276-L279 HydrophobicContact CZ3-CD1 3.91Å
277E37.3Very low34.7Very low189 Ų189148.6 Ų148.688%0.88381%0.811SS**  trans-147.366.8165.4-70.9-173.3127.300108.1
278D30.8Very low34.7Very low163 Ų163148.6 Ų148.687%0.87281%0.811SS**  trans-162.739.3168.6-105.3-17.3000112.5
279L38.4Very low34.2Very low147 Ų147147.5 Ų147.577%0.7781%0.811SS**  trans-119.863.3170.5-101156.7000109.1W276W276-L279 HydrophobicContact CZ3-CD1 3.91Å
280S31.6Very low33.4Very low123 Ų123148.4 Ų148.486%0.8680%0.8SS**  trans-161.367.3165-70.50000110.5
281Q33.6Very low32.6Very low192 Ų192154 Ų15490%0.89781%0.805SS**  trans-140.9101.9160.9-121.4168.2-3.400109.5
282A29.3Very low32.3Very low98 Ų98150.6 Ų150.681%0.8180%0.803SS**  trans-102.5139.4160.700000108.2
283P37.2Very low31.6Very low121 Ų121144 Ų14479%0.78680%0.795SS**  trans-97.5146.9-172.836.6-30.5000111.7
284T27.1Very low31Very low157 Ų157144 Ų14496%0.96380%0.8SS**  trans-166.3152145.617.80000112.5
285M26.5Very low30.6Very low162 Ų162143.3 Ų143.380%0.79880%0.8SS**  trans-91.2159.3-161.6-132.1-171158.100114.5
286D28.7Very low30.2Very low130 Ų130146.5 Ų146.570%0.69581%0.805SS**  trans69.1117.3142.5-69.6-12.8000125.2
287S28.1Very low29.5Very low119 Ų119143.7 Ų143.783%0.83280%0.801SS**  102.5138.7125.2-137.30000120.8
288P43.6Very low29.3Very low106 Ų106139.2 Ų139.269%0.68879%0.788SS**  trans-109.2138.4-169.838-24.2000113.2
289L27Very low29Very low159 Ų159139.7 Ų139.783%0.83279%0.785SS**  trans-173.1144146.8-139.375.4000112.6
290E27.5Very low28.1Very low149 Ų149138.3 Ų138.370%0.69678%0.783SS**  trans73.6128.5162.5-59.5-159.5129.100116.9
291K27Very low27.6Very low185 Ų185137.8 Ų137.880%0.80478%0.778SS**  cis-160.9151.345.4-129.5150.6-169.4174.10112.3
292L25.5Very low27.1Very low151 Ų151139.8 Ų139.879%0.79178%0.778SS**  trans-60.1167.8179.6-82.580.6000115.6
293S24.8Very low27.4Very low109 Ų109139.8 Ų139.876%0.76277%0.769SS**  trans94.7143.1143.475.60000116.6
294V24.4Very low26.9Very low132 Ų132142.3 Ų142.380%0.877%0.77SS**  cis-170.9150.5-2.7130.70000106.1
295A24Very low26.9Very low81 Ų81140.7 Ų140.767%0.66977%0.765SS**  trans48.6128.8156.100000121.6
296Q25.5Very low27Very low185 Ų185139.3 Ų139.386%0.86477%0.766SS**  167.5124.791.7-157.4137.2-39.500111.7
297E22.3Very low27.7Very low159 Ų159138.8 Ų138.874%0.74377%0.769SS**  trans-95.1166.1152.3-107.3-85.1117.900106.7
298P32Very low27.7Very low96 Ų96137.5 Ų137.562%0.62377%0.766SS**  cis-148.8175.932.236.5-12.4000118
299E24.1Very low26.9Very low172 Ų172143.5 Ų143.580%0.80478%0.775SS**  trans158.298.9132.1-89.6-165117.500116.6
300T21.1Very low27Very low119 Ų119142.8 Ų142.873%0.7377%0.771SS**  39.1118.4113.6-35.70000125
301C20.3Very low27.2Very low111 Ų111142.2 Ų142.275%0.7578%0.778SS**  trans68.6115.3135.7-71.20000127.4
302R22.2Very low28.4Very low235 Ų235139.1 Ų139.189%0.88778%0.777SS**  48.5166.1117.3-90.2-175.2-176163.43.1121.9
303P37.5Very low28.4Very low97 Ų97138 Ų13863%0.6378%0.782SS**  cis-145.5-176.1-7.837.9-14.9000118.6
304H26.6Very low28.7Very low175 Ų175142.3 Ų142.381%0.8179%0.787SS**  trans71.4116.5148.4-68.2-54.5000124.3
305S27.1Very low29.7Very low122 Ų122141.3 Ų141.385%0.85378%0.783SS**  174.2137.299.146.40000113.6
306T26.8Very low30Very low133 Ų133146.8 Ų146.882%0.81680%0.795SS**  trans-104.6-174.2170.2-8.10000108
307P44.2Very low30.2Very low119 Ų119145.7 Ų145.777%0.77380%0.795SS**  cis-144172.7-2.133.1-9.7000117.7
308A27.3Very low30.4Very low92 Ų92144.8 Ų144.876%0.7680%0.804SS**  trans171.610813200000109.8
309R28.4Very low30.3Very low232 Ų232144.5 Ų144.588%0.87581%0.81SS**  52.5126.488.7-116.3-169.5-167.8-1552113.5
310L29.2Very low30.5Very low145 Ų145147.8 Ų147.876%0.75982%0.815SS**  cis-154.7159.735.7-84.8153.4000111.8
311T30.1Very low30.9Very low136 Ų136153.9 Ų153.983%0.83483%0.825SS**  trans-101.6-156.5-179.151.80000111.8
312P52.2Low31.3Very low120 Ų120152.2 Ų152.278%0.77983%0.827SS**  -123.7-176.1-110.237.2-15.3000114.3
313S25.7Very low31.8Very low127 Ų127149.7 Ų149.789%0.88882%0.824SS**  trans-162.7159.9152.860.40000114.1
314K31.4Very low31.5Very low201 Ų201152.9 Ų152.987%0.87484%0.836SS**  trans-115.7-154.5-149.4-151.9-170.8-158.6178.10110.6
315P46.2Very low31.9Very low111 Ų111151.9 Ų151.972%0.72184%0.835SS**  -102.5176.5-12839.7-22.5000115.7
316Q30.3Very low32.8Very low195 Ų195151.1 Ų151.191%0.91183%0.826SS**  trans-145.8120.6161-1171754.700114
317N28.2Very low32.9Very low163 Ų163149.8 Ų149.887%0.87282%0.823SS**  trans-78.5147.3160.4-81.4-31.4000109.7
318C27Very low32Very low139 Ų139150.8 Ų150.894%0.93983%0.831SS**  trans-143.2141150.5-100.80000111.3
319A30.3Very low32.1Very low90 Ų90152.9 Ų152.974%0.74483%0.834SS**  trans-99.1159.6-165.200000113.6
320R28.9Very low32Very low242 Ų242147.7 Ų147.791%0.91383%0.833SS**  trans62.2120.3143.4-101.8-176.4177-164.3-0120.1
321R28.9Very low32Very low246 Ų246145.9 Ų145.993%0.92883%0.833SS**  140.2125.8103.9-161175-165.7-1791.8111.7
322G29.2Very low32Very low77 Ų77151.5 Ų151.579%0.79484%0.839SS**  trans145.8108.3161.900000115.6
323H32.3Very low31Very low181 Ų181150.3 Ų150.384%0.83884%0.839SS**  trans-67.1142.3177.4-95.8-96.9000114.9
324L30.9Very low31.3Very low165 Ų165150.5 Ų150.586%0.86484%0.837SS**  153.6143.3116.4-92.2140.5000113.4
325I35Very low31.2Very low154 Ų154145.7 Ų145.779%0.7984%0.835SS**  trans-98.4-165.9-169.4-34.9174.1000110.3
326P46.1Very low30.4Very low105 Ų105149.7 Ų149.768%0.68285%0.846SS**  -111.9-178.2-79.332.1-15.3000112.7
327S28.6Very low30.2Very low106 Ų106146.2 Ų146.274%0.74184%0.842SS**  164120.7116.8-69.10000112.2
328C26Very low30.2Very low139 Ų139144 Ų14494%0.93984%0.84SS**  trans-144.2107.3153.9-87.90000108.3
329V29.2Very low30.4Very low136 Ų136142.9 Ų142.982%0.82483%0.833SS**  trans-114.4121166170.20000105.9
330S27.3Very low30.5Very low123 Ų123144.4 Ų144.486%0.8684%0.836SS**  trans-120.3110.7167.5-175.90000108.8
331S28.4Very low30.6Very low108 Ų108144.4 Ų144.476%0.75584%0.836SS**  trans-69.7140.3175.5-59.80000111.7
332R30.8Very low30.8Very low254 Ų254139.1 Ų139.196%0.95883%0.83SS**  trans-129117162.2-130.4177.4-166.3175.43.8108.1
333A29.6Very low30.9Very low95 Ų95141.1 Ų141.179%0.78583%0.829SS**  trans-99.4153.3171.100000109.9
334P33.8Very low30.9Very low130 Ų130144 Ų14484%0.84483%0.833SS**  trans-106.7156.3160.933.8-22.7000112.8
335A28.2Very low31Very low100 Ų100142.3 Ų142.383%0.82683%0.831SS**  trans-79.3152.5-172.100000114.1
336M28.7Very low30.8Very low196 Ų196146.6 Ų146.697%0.96684%0.838SS**  trans-123.8130.1164.8-77.8-142.5127.800111.4
337C26.4Very low30.1Very low121 Ų121150.2 Ų150.282%0.81885%0.85SS**  trans-83138.5174.2-72.50000112.3
338S29Very low30.1Very low118 Ų118156.7 Ų156.783%0.82586%0.858SS**  trans47.3119.5135.1-42.80000121.9
339S30.9Very low30.2Very low114 Ų114155.1 Ų155.180%0.79785%0.849SS**  trans-74.4157.1170.2175.10000114.4
340P33Very low30.3Very low123 Ų123156.5 Ų156.580%0.79985%0.846SS**  trans-118.8154.7148.2155.6000114.4
341R31Very low30.7Very low242 Ų242156.2 Ų156.291%0.91384%0.842SS**PPolyproline II helixtrans-74.4151.8-165-63.6170-175.1171.80.7115.1
342V32.3Very low30.8Very low135 Ų135157 Ų15782%0.81884%0.842SS**PPolyproline II helixtrans-87.4138.4166.5177.50000110.6
343P32.6Very low31Very low119 Ų119150.1 Ų150.177%0.77383%0.831SS**PPolyproline II helixtrans-87136.4166.5-6.424.9000112.7
344R32.3Very low31.1Very low242 Ų242153.8 Ų153.891%0.91384%0.836SS**PPolyproline II helixtrans-71.2145.8173.8-72.7178.6173.4175.6-2.9112.2
345P31.9Very low31.2Very low128 Ų128153.1 Ų153.183%0.83183%0.832SS**PPolyproline II helixtrans-78.2142.5170.829.6-30.1000112.4
346R31Very low31.5Very low245 Ų245156.5 Ų156.593%0.92584%0.835SS**PPolyproline II helixtrans-73.8134.9176-79.2-168175.1-1501.6111.5
347L30.3Very low31.8Very low181 Ų181153.1 Ų153.195%0.94883%0.827SS**PPolyproline II helixtrans-61.2129.9167.9-135.276.7000110
348R28.5Very low32.2Very low241 Ų241155.5 Ų155.591%0.90983%0.831SS**  trans-114.7133.2166.5-162.9171.7-174.4172.50.4109.1
349S30Very low32.7Very low106 Ų106155.1 Ų155.174%0.74183%0.826SS**  trans-61.4144.9-170.247.30000115.7
350E30.4Very low32.7Very low165 Ų165158 Ų15877%0.77183%0.832SS**  trans-65156.2165.1-140-141.8136.400112.5
351P35Very low32.8Very low117 Ų117157.6 Ų157.676%0.7683%0.829SS**  trans-122.6130.6148.923-5.2000113.7
352T32.1Very low32.9Very low125 Ų125150.6 Ų150.677%0.76782%0.823SS**  trans-45.7147.5173.4-41.90000115.5
353P33.3Very low32.9Very low110 Ų110150.2 Ų150.271%0.71482%0.823SS**  trans-85.9150.9-177.733.3-34.2000114.1
354L32.6Very low32.9Very low171 Ų171151.1 Ų151.190%0.89583%0.827SS**  trans-114154.1166.8-81176.5000111.4
355P36.5Very low33.2Very low116 Ų116145.5 Ų145.575%0.75382%0.821SS**PPolyproline II helixtrans-95.2159.8-147.136.1-34.8000116.1
356L34.7Very low33.1Very low172 Ų172145.2 Ų145.290%0.90182%0.822SS**PPolyproline II helixtrans-61151.6173.3-72.8156.1000114.1
357P34.9Very low33Very low124 Ų124142.8 Ų142.881%0.80582%0.822SS**PPolyproline II helixtrans-102.9142.81511.918.8000112.9
358L34.5Very low32.9Very low172 Ų172137.6 Ų137.690%0.90181%0.811SS**PPolyproline II helixtrans-75.2169.4177.5-84.3163.9000113.8
359P38.1Very low33.2Very low110 Ų110132.3 Ų132.371%0.71481%0.808SS**PPolyproline II helixtrans-101.1162.2-156.239.3-33.8000114.8
360L31.3Very low33Very low174 Ų174132.5 Ų132.591%0.91181%0.81SS**  trans-140.4159.4166.1-86.6169000110.9
361P36.4Very low33.5Very low115 Ų115130.3 Ų130.375%0.74781%0.81SS**  -105.6172-128.639.5-36.4000116.1
362A32.8Very low33.2Very low95 Ų95130.5 Ų130.579%0.78581%0.814SS**  trans-68.1163.3-177.400000115.8
363P32.6Very low33.1Very low127 Ų127130 Ų13083%0.82582%0.816SS**  trans-123.9143.1140.826.4-9.7000113.9
364T32.2Very low33.6Very low138 Ų138131.1 Ų131.185%0.84782%0.823SS**  trans-79.9174.9178.426.10000113.9
365P37.4Very low33.3Very low123 Ų123126.4 Ų126.480%0.79982%0.816SS**  trans-101.9167.6-134.740.8-37.8000115.2
366S30Very low33.6Very low122 Ų122127.5 Ų127.585%0.85382%0.823SS**  trans-128.6144.416459.80000112.2
367Q30.1Very low33.4Very low195 Ų195123.2 Ų123.291%0.91182%0.82SS**  trans-76.5166.8-159.3-60.5169.811.300114.5
368G27.8Very low33.1Very low71 Ų71120.9 Ų120.973%0.73282%0.819SS**  trans-65.3-162.5179.500000115.4
369P34.3Very low33.6Very low130 Ų130119.3 Ų119.384%0.84482%0.819SS**  cis-144.1172.145.737.9-16.5000116.5
370S26.1Very low33.2Very low111 Ų111117.9 Ų117.978%0.77682%0.824SS**  trans-98.6-175.5155.9-39.40000108.6
371P41.5Very low33.1Very low118 Ų118113.9 Ų113.977%0.76682%0.824SS**  cis-135.1175.1-10.337.3-18.7000113.3
372S28.3Very low32.8Very low121 Ų121112.2 Ų112.285%0.84683%0.829SS**  trans-177130.2143.6330000113.5
373S29.8Very low32.6Very low116 Ų116112 Ų11281%0.81184%0.835SS**  trans-111.1170.4151.8-59.20000105.9
374P42.9Very low32.5Very low133 Ų133109.7 Ų109.786%0.86484%0.835SS**  cis-148.7-178.130.139.9-17.3000116.8
375G27.6Very low32.5Very low72 Ų72115.8 Ų115.874%0.74284%0.842SS**  trans126.6155.3145.400000118.3
376P42Very low32.2Very low139 Ų139113.2 Ų113.290%0.90384%0.838SS**  trans-120.4165.4-13438-24.4000115.7
377G30.8Very low32.2Very low81 Ų81119.1 Ų119.184%0.83584%0.842SS**  trans176.5117.6165.500000113.6
378G29.5Very low32.2Very low76 Ų76119.2 Ų119.278%0.78484%0.839SS**  trans-95.4-158.2164.500000111.3
379P43.2Very low32.2Very low139 Ų139123.6 Ų123.690%0.90385%0.845SS**  cis-122.5160.8-42.236.4-22.4000111.3
380G30.8Very low32.2Very low79 Ų79125.2 Ų125.281%0.81485%0.845SS**  trans-148.8116.517400000111.3
381G29.2Very low32.4Very low90 Ų90126.9 Ų126.993%0.92885%0.845SS**  trans-79.9160.2-174.100000114.8
382G30.6Very low32.1Very low81 Ų81126.5 Ų126.584%0.83584%0.842SS**  trans-164.7107.3169.400000109.5
383G28.7Very low32.7Very low89 Ų89125.1 Ų125.192%0.91883%0.829SS**  trans-77.9150-177.200000113.7
384G29.7Very low33.4Very low79 Ų79124 Ų12481%0.81482%0.819SS**  trans-149.3106.5168.300000110.1G386G384-G386 PolarHBondContact O-N 2.93Å
385R32.5Very low33.2Very low266 Ų266124.3 Ų124.3100%1.00481%0.812SS**  trans-69.7120.6175.4-82.5175.3166.3-174.7-3.7110.2
386G30.2Very low34.1Very low69 Ų69125.9 Ų125.971%0.71180%0.803SS**  trans-129.4117.1164.100000109.9G384 K388G384-G386 PolarHBondContact O-N 2.93Å; G386-K388 PolarHBondContact O-N 3.33Å
387R31.1Very low34.1Very low247 Ų247128.8 Ų128.893%0.93280%0.796SS**  trans-59.4119.3-176.2-70.4170.5167.1173.4-5111.3
388K28.6Very low34.6Very low197 Ų197129.3 Ų129.386%0.85778%0.78SS**  trans-84.5111.5163-82.3-177.5176.3179.50109G386 L390G386-K388 PolarHBondContact O-N 3.33Å; K388-L390 PolarHBondContact O-N 3.34Å
389L29.5Very low35.2Very low163 Ų163131.2 Ų131.285%0.85377%0.772SS**  trans-72.1112.1158.8-93.9109.2000108.2
390L32.6Very low34.9Very low164 Ų164131.2 Ų131.286%0.85976%0.755SS**  trans-79.5115.3165.7-92.1145.8000108.3K388K388-L390 PolarHBondContact O-N 3.34Å
391L30.8Very low35.5Very low145 Ų145132.5 Ų132.576%0.75975%0.747SS**  trans-102.5138.3158.1-131.281.7000108
392P36.1Very low36.1Very low110 Ų110135.7 Ų135.771%0.71474%0.742SS**  trans-88.2120.6-171.633.1-28.3000110.5
393T40.4Very low36.7Very low93 Ų93134.7 Ų134.757%0.57172%0.722SS**  trans-127.678.616855.50000110.9L395T393-L395 VanDerWaalsContact C-N 3.28Å
394P43.6Very low37.1Very low91 Ų91133.4 Ų133.459%0.59171%0.709SS**Hα-helixtrans-68.1-29.1167.525.6-30000112L396 R397P394-L396 PolarHBondContact O-N 3.12Å; P394-R397 PolarHBondContact O-N 3.24Å
395L39.8Very low37.6Very low140 Ų140133.4 Ų133.473%0.73369%0.69SS**Hα-helixtrans-71.3-26.2-176-77.2174.9000115.5T393T393-L395 VanDerWaalsContact C-N 3.28Å
396L45.5Very low37.7Very low106 Ų106128.8 Ų128.856%0.55568%0.679SS**Hα-helixtrans-74.6-34.7178.9-140.883.4000110.7P394 L399 Y400P394-L396 PolarHBondContact O-N 3.12Å; L396-L399 PolarHBondContact O-N 3.03Å; L396-Y400 HydrophobicContact CD2-CE2 3.87Å; L396-Y400 HydrophobicContact CG-CD2 4.49Å; L396-Y400 HydrophobicContact CG-CE2 4Å; L396-Y400 WeakPolarHBondContact O-CD2 3.43Å; L396-Y400 PolarHBondContact O-N 3.08Å
397R43.4Very low38Very low199 Ų199131.2 Ų131.275%0.75168%0.682SS**Hα-helixtrans-67.8-39.1-177.6-136.5175.9-172.2177.20.5111.3P394 L399 Y400 T401P394-R397 PolarHBondContact O-N 3.24Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.16Å; R397-Y400 PolarHBondContact O-N 3.11Å; R397-Y400 VanDerWaalsContact O-N 3.15Å; R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.34Å
398D39.9Very low38Very low93 Ų93123.6 Ų123.650%0.49767%0.667SS.*Hα-helixtrans-67.5-30.8178.5-70.4-23.5000113.1T401 L402D398-T401 WeakPolarHBondContact CA-OG1 3.37Å; D398-T401 PolarHBondContact O-OG1 3.49Å; D398-L402 WeakPolarHBondContact O-CB 3.45Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.16Å
399L41.9Very low38.4Very low116 Ų116120.5 Ų120.561%0.60767%0.667SS**Hα-helixtrans-69.9-36.7171.3-114.8100.5000112.1L396 R397 S403L396-L399 PolarHBondContact O-N 3.03Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.16Å; L399-S403 WeakPolarHBondContact O-CB 3.34Å; L399-S403 PolarHBondContact O-N 3.33Å; L399-S403 PolarHBondContact O-OG 3.32Å
400Y38.6Very low38.5Very low139 Ų139122 Ų12255%0.54567%0.667SS.*Hα-helixtrans-72.8-35.8178.9-78.6-68.4000112.7L396 R397 S403L396-Y400 HydrophobicContact CD2-CE2 3.87Å; L396-Y400 HydrophobicContact CG-CD2 4.49Å; L396-Y400 HydrophobicContact CG-CE2 4Å; L396-Y400 WeakPolarHBondContact O-CD2 3.43Å; L396-Y400 PolarHBondContact O-N 3.08Å; R397-Y400 PolarHBondContact O-N 3.11Å; R397-Y400 VanDerWaalsContact O-N 3.15Å; Y400-S403 PolarHBondContact O-N 3.43Å
401T43.1Very low38.4Very low105 Ų105122 Ų12264%0.64466%0.662SS**Hα-helixtrans-73.7-33.6176.334.10000113R397 D398 S403R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.34Å; D398-T401 WeakPolarHBondContact CA-OG1 3.37Å; D398-T401 PolarHBondContact O-OG1 3.49Å; T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 3.16Å
402L40.8Very low38.8Very low157 Ų157125.9 Ų125.982%0.82267%0.667SS**Hα-helixtrans-71.2-18.7172.7-101148.1000113.8D398D398-L402 WeakPolarHBondContact O-CB 3.45Å; D398-L402 PolarHBondContact O-N 3.42Å; D398-L402 VanDerWaalsContact O-N 3.16Å
403S44.8Very low38.6Very low61 Ų61127 Ų12743%0.42767%0.667SS.*THydrogen-bonded Turntrans-96-2.6-175.4-54.60000114.7L399 Y400 T401 L405L399-S403 WeakPolarHBondContact O-CB 3.34Å; L399-S403 PolarHBondContact O-N 3.33Å; L399-S403 PolarHBondContact O-OG 3.32Å; Y400-S403 PolarHBondContact O-N 3.43Å; T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 3.16Å; S403-L405 PolarHBondContact O-N 2.99Å; S403-L405 VanDerWaalsContact O-N 3.08Å
404G36Very low38.3Very low62 Ų62130.2 Ų130.264%0.63968%0.681SS**THydrogen-bonded Turntrans58.124.217900000114.8H406G404-H406 PolarHBondContact O-N 3.05Å
405L40.5Very low37.7Very low78 Ų78135.9 Ų135.941%0.40870%0.696SS.*  trans-89.493.4-179.2-69.2171.1000109.7S403S403-L405 PolarHBondContact O-N 2.99Å; S403-L405 VanDerWaalsContact O-N 3.08Å
406H35.4Very low37.2Very low170 Ų170134 Ų13479%0.78770%0.695SS**  trans-75.7130.1157.6-118.661.6000108.8G404 S408G404-H406 PolarHBondContact O-N 3.05Å; H406-S408 PolarHBondContact O-N 3.09Å
407P35.8Very low36.8Very low119 Ų119134.4 Ų134.477%0.77370%0.703SS**  trans-74.6113.2173.928.6-29.5000109.3
408S30.8Very low36.2Very low88 Ų88134.9 Ų134.962%0.61571%0.707SS**  trans-75.4147.5156.3480000108.8H406 F410H406-S408 PolarHBondContact O-N 3.09Å; S408-F410 PolarHBondContact O-N 3.03Å
409P37Very low35.9Very low132 Ų132138 Ų13886%0.85772%0.723SS**  trans-66.1112.2-169.325.3-31.8000110.2H411P409-H411 PolarHBondContact O-N 2.88Å; P409-H411 VanDerWaalsContact O-N 3.09Å
410F32.2Very low35.4Very low195 Ų195142.8 Ų142.886%0.85574%0.739SS**  trans-63.6106.1168.9-104.1-95.7000108.4S408 R412S408-F410 PolarHBondContact O-N 3.03Å; F410-R412 PolarHBondContact O-N 3.35Å
411H29.8Very low35.2Very low162 Ų162141.2 Ų141.275%0.7575%0.754SS**  trans-66.7103.2163-157.5-63.2000106.8P409 D413P409-H411 PolarHBondContact O-N 2.88Å; P409-H411 VanDerWaalsContact O-N 3.09Å; H411-D413 IonicContact CE1-OD2 3.09Å; H411-D413 IonicContact ND1-OD2 2.66Å; H411-D413 PolarHBondContact O-N 3.38Å
412R38.7Very low34.8Very low227 Ų227141.7 Ų141.786%0.85776%0.762SS**  trans-53.6121.2160.5-105.9-175.8159.9174.5-5.4106.8F410F410-R412 PolarHBondContact O-N 3.35Å
413D33.7Very low34.6Very low135 Ų135145.3 Ų145.372%0.72277%0.765SS**  trans-172.2138.9139.5-79.4-33.1000107.4H411H411-D413 IonicContact CE1-OD2 3.09Å; H411-D413 IonicContact ND1-OD2 2.66Å; H411-D413 PolarHBondContact O-N 3.38Å
414N33.3Very low34.3Very low160 Ų160149.9 Ų149.986%0.85679%0.785SS**  trans81.157.4-177.3-69.6-7000119.3
415F30.7Very low34.2Very low210 Ų210156.1 Ų156.192%0.92180%0.797SS**  trans-108.9108.8139.9-92.8-85.4000108.9
416S30.2Very low34.1Very low100 Ų100160.7 Ų160.770%0.69982%0.821SS**  trans-69.4123.3172.8-172.70000109.7Y418S416-Y418 PolarHBondContact O-N 3.49Å
417P36.3Very low33.9Very low114 Ų114164.6 Ų164.674%0.7485%0.846SS**  trans-93.688.1-174.135.4-30.1000110.7
418Y30.6Very low33.8Very low209 Ų209166.9 Ų166.982%0.8285%0.85SS**  trans-136.425.4172.1-79.1-71.9000114.5S416S416-Y418 PolarHBondContact O-N 3.49Å
419L33.1Very low34Very low159 Ų159171 Ų17183%0.83286%0.862SS**SBendtrans-120.18.3180-95.5165.9000116.4
420F33.1Very low33.8Very low217 Ų217173.2 Ų173.295%0.95286%0.862SS**SBendtrans-13966.3173.4-77.7-81.4000111.4
421A34Very low33.9Very low105 Ų105171.9 Ų171.987%0.86886%0.863SS**  trans-146.362.1165.900000109.4
422S34.1Very low34.1Very low116 Ų116172.5 Ų172.581%0.81187%0.87SS**SBendtrans-157.560.5167.6-1740000110.7
423R37Very low33.8Very low233 Ų233168.9 Ų168.988%0.87987%0.871SS**  trans-173.297.6156.6-111.9172.192.9147.95.5105.7
424D38.3Very low33.8Very low157 Ų157171.3 Ų171.384%0.8488%0.881SS**  trans173.570.7148.2-79.8-17.9000108.2
425H34.8Very low33.9Very low193 Ų193172.2 Ų172.289%0.89488%0.883SS**  trans-153.281.8156.1-102.1-61.5000107.1
426L36.4Very low34.1Very low173 Ų173169 Ų16991%0.90688%0.88SS**  trans-175.484157.7-100.3169.1000106.7
427L32.1Very low34.5Very low252 Ų252175.3 Ų175.3100%1.31990%0.896SS**  trans176.40142.9-94.3163.9000109.2

Retrieved 427 of 427 residues in 1086.3 ms (Link to these results)