A0A087Y9M5_POEFO Loading...

Ankyrin repeat, SAM and basic leucine zipper domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y9M5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 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
1M32.4Very low30.9Very low253 Ų253141.6 Ų141.6100%1.24682%0.821SS**  088.70-76.5138.6149.700105.9
2G30.6Very low31Very low83 Ų83135.8 Ų135.886%0.85682%0.815SS**  114.4136.371.700000105
3S28.7Very low30.9Very low108 Ų108137.3 Ų137.376%0.75582%0.816SS**  cis-150.4136.312.6-168.30000107.2
4V29.3Very low31.5Very low126 Ų126141.9 Ų141.976%0.76483%0.825SS**  trans-73.9126.9165.7176.30000106.5
5N28.8Very low32Very low130 Ų130138.2 Ų138.270%0.69581%0.81SS**  trans-117.6103.2162.6-101.913.2000108
6E31.5Very low32.5Very low174 Ų174139.4 Ų139.481%0.81381%0.812SS**  trans-54.7126.6159.6-75.6167.2127.600109.7
7F28.8Very low33Very low197 Ų197136.9 Ų136.986%0.86481%0.812SS**  trans-110.790.2155.3-82.5-81.1000107.3
8A28.4Very low33.4Very low70 Ų70135.1 Ų135.158%0.57981%0.807SS**  trans-81167.615700000109.9
9F31Very low33.9Very low203 Ų203136.7 Ų136.789%0.8981%0.811SS**  trans101.6143.5171.2-59.2-70.9000117.5
10P39.1Very low34.2Very low112 Ų112135.5 Ų135.573%0.72780%0.8SS**  cis-127.5142.2-32.231.4-14000112.7G12P10-G12 PolarHBondContact O-N 3.15Å
11A31Very low34.3Very low102 Ų102138 Ų13884%0.84380%0.804SS**  trans-68.2122.2156.600000107.2
12G32.8Very low34.8Very low72 Ų72131.1 Ų131.174%0.74276%0.764SS**  trans-71133.5175.400000110.4P10 E14P10-G12 PolarHBondContact O-N 3.15Å; G12-E14 PolarHBondContact O-N 3.39Å
13D30.1Very low34.9Very low155 Ų155133.8 Ų133.883%0.82976%0.759SS**  trans-43.5123.7176.4-75.2-45.5000113.7
14E38.3Very low35.6Very low202 Ų202135.9 Ų135.994%0.94476%0.76SS**  trans-111.5103.1147.5-69.2-157.5177.600108.1G12G12-E14 PolarHBondContact O-N 3.39Å
15S39.5Very low35.5Very low86 Ų86132.4 Ų132.460%0.60175%0.75SS**  trans-148.4108.3156.862.90000108.9
16D39.4Very low35.5Very low157 Ų157132.2 Ų132.284%0.8476%0.759SS**  -170.5114.2108.9-95.3-16.6000112.7
17A40.9Very low35.5Very low98 Ų98134.2 Ų134.281%0.8177%0.765SS**  trans4593.4137.400000118.9
18S40.1Very low35.4Very low104 Ų104130.4 Ų130.473%0.72776%0.763SS**  trans-153.7108.5138.4-174.40000107.7D20S18-D20 PolarHBondContact O-N 3.24Å
19N43.8Very low35.9Very low165 Ų165135.8 Ų135.888%0.88278%0.776SS**  trans-64.294173.5-85.9-4.3000109.7
20D39Very low35.7Very low112 Ų112136 Ų13660%0.59978%0.777SS**  trans-133.887.7154.9-79.7-38.5000107.3S18 W22S18-D20 PolarHBondContact O-N 3.24Å; D20-W22 VanDerWaalsContact O-CD1 3.3Å; D20-W22 PolarHBondContact O-N 3.29Å; D20-W22 VanDerWaalsContact O-N 3.1Å
21E36.1Very low35.5Very low188 Ų188140.5 Ų140.588%0.87979%0.785SS**  trans-64.698.5-179.1-166167.7-157.500109.7D23E21-D23 PolarHBondContact O-N 3.46Å
22W43.2Very low35.3Very low109 Ų109142.7 Ų142.741%0.41379%0.788SS.*  trans-92.385.9167.9-73.491.6000108.8D20 I24 K53 Y87D20-W22 VanDerWaalsContact O-CD1 3.3Å; D20-W22 PolarHBondContact O-N 3.29Å; D20-W22 VanDerWaalsContact O-N 3.1Å; W22-I24 PolarHBondContact O-N 3.38Å; W22-I24 VanDerWaalsContact O-N 3.09Å; W22-K53 HydrophobicContact CH2-CD 4.2Å; W22-K53 HydrophobicContact CH2-CG 4.15Å; W22-K53 HydrophobicContact CZ2-CD 4.35Å; W22-Y87 HydrophobicContact CH2-CE1 4.03Å; W22-Y87 HydrophobicContact CZ2-CE1 4.25Å
23D33.1Very low35Very low139 Ų139145 Ų14574%0.74379%0.792SS**  trans-7595174.4-151.25.6000109.1E21 G25E21-D23 PolarHBondContact O-N 3.46Å; D23-G25 VanDerWaalsContact C-N 3.35Å; D23-G25 PolarHBondContact O-N 3.33Å
24I42.7Very low34.9Very low152 Ų152140.7 Ų140.778%0.77979%0.785SS**  trans-84.284.5168.5-60.8-179.3000106.7W22W22-I24 PolarHBondContact O-N 3.38Å; W22-I24 VanDerWaalsContact O-N 3.09Å
25G28.9Very low34.7Very low53 Ų53138.5 Ų138.555%0.54678%0.778SS.*  trans-170.3112179.400000115.9D23D23-G25 VanDerWaalsContact C-N 3.35Å; D23-G25 PolarHBondContact O-N 3.33Å
26S28.3Very low34.4Very low126 Ų126143 Ų14388%0.88179%0.787SS**  trans57.5118.2152.1-154.20000120.6S28S26-S28 PolarHBondContact O-N 3.06Å
27F31Very low33.8Very low216 Ų216142.4 Ų142.495%0.94778%0.784SS**  trans-46.3126.9168.5-77.4-95.4000114.1
28S26.8Very low33.4Very low118 Ų118145.6 Ų145.683%0.82579%0.787SS**  trans-155.5121.3146.2-1730000109.5S26S26-S28 PolarHBondContact O-N 3.06Å
29E38.3Very low32.9Very low183 Ų183144.7 Ų144.786%0.85579%0.785SS**  trans-57.6135.7-178.4-64.5177143.600112.3
30K26.8Very low32.3Very low207 Ų207142 Ų14290%0.978%0.779SS**  trans-155.1114.6147.5-108.8163.3-167.1-179.70111.4
31K35.8Very low32.3Very low207 Ų207141.1 Ų141.190%0.979%0.788SS**  trans-59139.7163.7-78.9173.7172.5171.90110.4
32T26.3Very low32.4Very low148 Ų148141.5 Ų141.591%0.90879%0.789SS**  trans-154146137.835.80000112.3
33S26.6Very low32.1Very low119 Ų119140.9 Ų140.983%0.83280%0.798SS**  trans-94.3150.1-170.948.70000114.2
34G27.5Very low32.7Very low66 Ų66136.7 Ų136.768%0.6879%0.787SS**  118.6120.8126.400000120.8
35I34Very low33.2Very low155 Ų155133.2 Ų133.280%0.79578%0.776SS**  trans83.6104.8133.8-55.6175.3000116.9
36K32.8Very low34.7Very low182 Ų182133.1 Ų133.179%0.79178%0.775SS**  64.7125.697.4-90.7-176.6-178.3-175.70113.5
37D27.7Very low37Very low144 Ų144131.8 Ų131.877%0.7776%0.758SS**  -167.3163.563-90.6-40.8000114.8
38L32.4Very low39.4Very low165 Ų165125 Ų12586%0.86473%0.732SS**  trans-40.6143.5175.9-104.264.5000119.5
39A29.9Very low42.1Very low84 Ų84121.8 Ų121.869%0.69471%0.705SS**  176.9113107.400000114.7
40S31.3Very low44.4Very low109 Ų109116.1 Ų116.176%0.76269%0.685SS**  trans67.8115.7133.7-46.10000123.1
41A38.2Very low47.3Very low94 Ų94109.5 Ų109.578%0.77766%0.662SS**SBendtrans87.956.1139.900000119.4
42E37.9Very low49.8Very low195 Ų19599.6 Ų99.691%0.91162%0.619SS**SBendtrans173.531.7135.5-95.1-173.4-174.200109.8
43V37.6Very low52.5Low97 Ų9795.7 Ų95.759%0.58859%0.589SS**  trans-101.19-150.9-175.80000114.3
44G45.9Very low55.4Low50 Ų5096 Ų9652%0.51558%0.576SS.*Hα-helixtrans-80.8-27.1-173.800000116.2N48G44-N48 VanDerWaalsContact O-CG 3.27Å; G44-N48 PolarHBondContact O-ND2 3.2Å
45S52.6Low58.4Low80 Ų8093 Ų9356%0.55955%0.545SS*.Hα-helixtrans-93.2-34-169.2-165.20000113.8I49S45-I49 WeakPolarHBondContact O-CB 3.49Å; S45-I49 WeakPolarHBondContact O-CD1 3.3Å; S45-I49 WeakPolarHBondContact O-CG1 3.24Å; S45-I49 PolarHBondContact O-N 2.81Å; S45-I49 VanDerWaalsContact O-N 3.1Å
46G61.2Low60.9Low50 Ų5085.8 Ų85.852%0.51551%0.508SS..Hα-helixtrans-68.1-44.3-177.300000112.7I49 S50G46-I49 PolarHBondContact O-N 2.92Å; G46-S50 PolarHBondContact O-N 3.36Å
47D75.8Confident63.3Low98 Ų9879.8 Ų79.852%0.52449%0.488SS..Hα-helixtrans-65.3-46.6177.9-72.2-5.2000110.8I49 S50 V51D47-I49 VanDerWaalsContact C-N 3.32Å; D47-I49 PolarHBondContact O-N 3.08Å; D47-S50 PolarHBondContact O-N 3.47Å; D47-S50 VanDerWaalsContact O-N 3.11Å; D47-S50 PolarHBondContact O-OG 3.44Å; D47-V51 VanDerWaalsContact O-CG2 3.26Å; D47-V51 WeakPolarHBondContact O-CG2 3.36Å; D47-V51 PolarHBondContact O-N 3.36Å
48N82.4Confident66.1Low74 Ų7479.1 Ų79.140%0.39648%0.481SS..Hα-helixtrans-61.5-37.8178.7-73.5-15.1000112.9G44 V51 L52 L72G44-N48 VanDerWaalsContact O-CG 3.27Å; G44-N48 PolarHBondContact O-ND2 3.2Å; N48-V51 PolarHBondContact O-N 3.26Å; N48-L52 WeakPolarHBondContact O-CB 3.28Å; N48-L52 PolarHBondContact O-N 3.04Å; N48-L72 HydrophobicContact CB-CD1 4.07Å
49I83.8Confident68.5Low50 Ų5072.4 Ų72.426%0.25645%0.451SS..Hα-helixtrans-65.2-42.5174.5-73.4166.9000110.9S45 G46 D47 L52 K53 T76 L78S45-I49 WeakPolarHBondContact O-CB 3.49Å; S45-I49 WeakPolarHBondContact O-CD1 3.3Å; S45-I49 WeakPolarHBondContact O-CG1 3.24Å; S45-I49 PolarHBondContact O-N 2.81Å; S45-I49 VanDerWaalsContact O-N 3.1Å; G46-I49 PolarHBondContact O-N 2.92Å; D47-I49 VanDerWaalsContact C-N 3.32Å; D47-I49 PolarHBondContact O-N 3.08Å; I49-L52 PolarHBondContact O-N 2.72Å; I49-K53 VanDerWaalsContact O-CB 3.28Å; I49-K53 WeakPolarHBondContact O-CB 3.32Å; I49-K53 PolarHBondContact O-N 3.16Å; I49-T76 HydrophobicContact CD1-CG2 4.09Å; I49-T76 HydrophobicContact CG1-CG2 3.84Å; I49-L78 HydrophobicContact CG2-CD2 3.8Å
50S85.5Confident71.4Confident64 Ų6471 Ų7145%0.44843%0.432SS..Hα-helixtrans-65.3-40.6177.778.60000112.1G46 D47 K53 K54G46-S50 PolarHBondContact O-N 3.36Å; D47-S50 PolarHBondContact O-N 3.47Å; D47-S50 VanDerWaalsContact O-N 3.11Å; D47-S50 PolarHBondContact O-OG 3.44Å; S50-K53 PolarHBondContact O-N 2.9Å; S50-K54 WeakPolarHBondContact O-CB 3.48Å; S50-K54 PolarHBondContact O-N 3.36Å
51V88.3Confident74.2Confident68 Ų6868.1 Ų68.141%0.41241%0.41SS..Hα-helixtrans-67.4-43.6176.5177.50000110.2D47 N48 K53 K54 A55 L67D47-V51 VanDerWaalsContact O-CG2 3.26Å; D47-V51 WeakPolarHBondContact O-CG2 3.36Å; D47-V51 PolarHBondContact O-N 3.36Å; N48-V51 PolarHBondContact O-N 3.26Å; V51-K53 PolarHBondContact O-N 3.09Å; V51-K54 PolarHBondContact O-N 3.2Å; V51-A55 VanDerWaalsContact O-CB 3.32Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 3.2Å; V51-L67 HydrophobicContact CG1-CD1 4.11Å
52L87.8Confident76.7Confident0 Ų068.8 Ų68.80%040%0.401CS..Hα-helixtrans-59.5-47.3175.6-178.166.5000111.3N48 I49 K54 A55 I56 V64 L67 L72 L78 P84N48-L52 WeakPolarHBondContact O-CB 3.28Å; N48-L52 PolarHBondContact O-N 3.04Å; I49-L52 PolarHBondContact O-N 2.72Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.29Å; L52-A55 PolarHBondContact O-N 2.75Å; L52-I56 HydrophobicContact CD1-CD1 4.02Å; L52-I56 HydrophobicContact CD1-CG1 4.34Å; L52-I56 HydrophobicContact CD2-CD1 4.46Å; L52-I56 HydrophobicContact CG-CD1 3.78Å; L52-I56 HydrophobicContact CG-CG1 4.47Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.49Å; L52-I56 PolarHBondContact O-N 3.23Å; L52-V64 HydrophobicContact CD1-CB 4.47Å; L52-V64 HydrophobicContact CD1-CG1 4.05Å; L52-V64 HydrophobicContact CD1-CG2 4.12Å; L52-L67 HydrophobicContact CB-CD1 3.91Å; L52-L67 HydrophobicContact CD1-CD1 3.96Å; L52-L72 HydrophobicContact CD2-CD1 4.26Å; L52-L72 HydrophobicContact CD2-CD2 3.61Å; L52-L78 HydrophobicContact CD2-CD2 4.25Å; L52-P84 HydrophobicContact CD2-CG 4.05Å
53K84.2Confident79.2Confident65 Ų6561.4 Ų61.428%0.28337%0.369SS..Hα-helixtrans-57.9-45.1177.8-178.4-174.1178.4-174.10111.4W22 I49 S50 V51 S57 L78W22-K53 HydrophobicContact CH2-CD 4.2Å; W22-K53 HydrophobicContact CH2-CG 4.15Å; W22-K53 HydrophobicContact CZ2-CD 4.35Å; I49-K53 VanDerWaalsContact O-CB 3.28Å; I49-K53 WeakPolarHBondContact O-CB 3.32Å; I49-K53 PolarHBondContact O-N 3.16Å; S50-K53 PolarHBondContact O-N 2.9Å; V51-K53 PolarHBondContact O-N 3.09Å; K53-S57 WeakPolarHBondContact O-CB 3.43Å; K53-S57 PolarHBondContact O-N 3.16Å; K53-S57 VanDerWaalsContact O-N 3.14Å; K53-S57 PolarHBondContact O-OG 3.46Å; K53-L78 HydrophobicContact CB-CD2 4.49Å
54K86.5Confident81.7Confident126 Ų12656.8 Ų56.855%0.54834%0.341SS..Hα-helixtrans-63.7-49.1176.7-176.3178.2175.7-176.90111.4S50 V51 L52 I56 S57 E58S50-K54 WeakPolarHBondContact O-CB 3.48Å; S50-K54 PolarHBondContact O-N 3.36Å; V51-K54 PolarHBondContact O-N 3.2Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.29Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.24Å; K54-S57 PolarHBondContact O-N 3.12Å; K54-S57 VanDerWaalsContact O-N 3.13Å; K54-E58 VanDerWaalsContact CE-CD 3.5Å; K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 HydrophobicContact CG-CG 4.41Å; K54-E58 IonicContact NZ-OE1 3.84Å; K54-E58 WeakPolarHBondContact O-CG 3.41Å; K54-E58 PolarHBondContact O-N 3.14Å
55A90.3Very high83.9Confident4 Ų458.8 Ų58.83%0.03334%0.336CS..Hα-helixtrans-58.7-43.1179.400000112.6V51 L52 S57 E58 G59 D60 T63 V64V51-A55 VanDerWaalsContact O-CB 3.32Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 3.2Å; L52-A55 PolarHBondContact O-N 2.75Å; A55-S57 PolarHBondContact O-N 3.42Å; A55-E58 PolarHBondContact O-N 2.85Å; A55-G59 CarbonylContact O-C 3.58Å; A55-G59 PolarHBondContact O-N 3.37Å; A55-D60 HydrophobicContact CB-CB 4.45Å; A55-D60 PolarHBondContact O-N 3.24Å; A55-T63 WeakPolarHBondContact CB-OG1 3.39Å; A55-V64 HydrophobicContact CB-CG2 3.73Å
56I87.4Confident85.8Confident2 Ų260.8 Ų60.81%0.0134%0.336CS..Hα-helixtrans-63.7-41.9176.4-66.5164.6000111.3L52 K54 G59 V64 L78 P84 L96L52-I56 HydrophobicContact CD1-CD1 4.02Å; L52-I56 HydrophobicContact CD1-CG1 4.34Å; L52-I56 HydrophobicContact CD2-CD1 4.46Å; L52-I56 HydrophobicContact CG-CD1 3.78Å; L52-I56 HydrophobicContact CG-CG1 4.47Å; L52-I56 VanDerWaalsContact O-CG1 3.23Å; L52-I56 WeakPolarHBondContact O-CG1 3.49Å; L52-I56 PolarHBondContact O-N 3.23Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.24Å; I56-G59 PolarHBondContact O-N 3.09Å; I56-V64 HydrophobicContact CG1-CG2 3.96Å; I56-L78 HydrophobicContact CD1-CD1 3.93Å; I56-P84 HydrophobicContact CD1-CB 3.72Å; I56-L96 HydrophobicContact CB-CD2 4.07Å; I56-L96 HydrophobicContact CG1-CD2 4.07Å; I56-L96 HydrophobicContact CG2-CD2 3.81Å
57S83Confident87.1Confident56 Ų5659.3 Ų59.339%0.39232%0.316SS..Hα-helixtrans-69-37-179-54.30000112.2K53 K54 A55 G59K53-S57 WeakPolarHBondContact O-CB 3.43Å; K53-S57 PolarHBondContact O-N 3.16Å; K53-S57 VanDerWaalsContact O-N 3.14Å; K53-S57 PolarHBondContact O-OG 3.46Å; K54-S57 PolarHBondContact O-N 3.12Å; K54-S57 VanDerWaalsContact O-N 3.13Å; A55-S57 PolarHBondContact O-N 3.42Å; S57-G59 VanDerWaalsContact C-N 3.27Å
58E85.3Confident87.8Confident130 Ų13055.5 Ų55.561%0.60730%0.296SS*.Hα-helixtrans-79-13.3175.2-68175.6170.200112.2K54 A55 D60K54-E58 VanDerWaalsContact CE-CD 3.5Å; K54-E58 WeakPolarHBondContact CE-OE1 3.42Å; K54-E58 HydrophobicContact CG-CG 4.41Å; K54-E58 IonicContact NZ-OE1 3.84Å; K54-E58 WeakPolarHBondContact O-CG 3.41Å; K54-E58 PolarHBondContact O-N 3.14Å; A55-E58 PolarHBondContact O-N 2.85Å; E58-D60 VanDerWaalsContact C-N 3.3Å
59G84.5Confident88.1Confident24 Ų2456.4 Ų56.425%0.24730%0.301CS..THydrogen-bonded Turntrans7320.6-176.400000114A55 I56 S57 T61 N93A55-G59 CarbonylContact O-C 3.58Å; A55-G59 PolarHBondContact O-N 3.37Å; I56-G59 PolarHBondContact O-N 3.09Å; S57-G59 VanDerWaalsContact C-N 3.27Å; G59-T61 PolarHBondContact O-N 3.48Å; G59-N93 VanDerWaalsContact CA-ND2 3.3Å; G59-N93 WeakPolarHBondContact CA-ND2 3.42Å
60D89.1Confident88.4Confident55 Ų5560.6 Ų60.629%0.29432%0.324SS..  trans-74.794.1178.2-178.4-0.2000110.5A55 E58 D62 T63 V64A55-D60 HydrophobicContact CB-CB 4.45Å; A55-D60 PolarHBondContact O-N 3.24Å; E58-D60 VanDerWaalsContact C-N 3.3Å; D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.93Å; D60-D62 VanDerWaalsContact OD1-N 3.1Å; D60-T63 WeakPolarHBondContact CB-OG1 3.47Å; D60-T63 PolarHBondContact O-OG1 3.49Å; D60-T63 PolarHBondContact OD1-N 3.01Å; D60-T63 PolarHBondContact OD1-OG1 3.12Å; D60-T63 WeakPolarHBondContact OD2-CB 3.35Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.09Å; D60-T63 PolarHBondContact OD2-OG1 3.33Å; D60-V64 WeakPolarHBondContact O-CG2 3.37Å; D60-V64 PolarHBondContact O-N 3.38Å
61T90.8Very high88.3Confident48 Ų4860.8 Ų60.829%0.29434%0.336SS..Hα-helixtrans-68.6-26-178.951.40000113.1G59 K65 L96G59-T61 PolarHBondContact O-N 3.48Å; T61-K65 VanDerWaalsContact O-CB 3.28Å; T61-K65 WeakPolarHBondContact O-CB 3.34Å; T61-K65 PolarHBondContact O-N 3.35Å; T61-L96 HydrophobicContact CG2-CB 4.2Å; T61-L96 HydrophobicContact CG2-CD1 4.34Å
62D91.4Very high88.3Confident108 Ų10859 Ų5958%0.57832%0.324SS*.Hα-helixtrans-76.5-43.6-174.3-70.2-32.6000110.9D60 K65 Q66D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.93Å; D60-D62 VanDerWaalsContact OD1-N 3.1Å; D62-K65 WeakPolarHBondContact O-CB 3.33Å; D62-K65 PolarHBondContact O-N 3.17Å; D62-Q66 WeakPolarHBondContact O-CG 3.4Å; D62-Q66 PolarHBondContact O-N 3.01Å
63T90.6Very high88.2Confident40 Ų4063.8 Ų63.825%0.24535%0.349CS..Hα-helixtrans-67-39.3174.450.10000111.7A55 D60 K65 Q66 L67A55-T63 WeakPolarHBondContact CB-OG1 3.39Å; D60-T63 WeakPolarHBondContact CB-OG1 3.47Å; D60-T63 PolarHBondContact O-OG1 3.49Å; D60-T63 PolarHBondContact OD1-N 3.01Å; D60-T63 PolarHBondContact OD1-OG1 3.12Å; D60-T63 WeakPolarHBondContact OD2-CB 3.35Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.09Å; D60-T63 PolarHBondContact OD2-OG1 3.33Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.29Å; T63-Q66 PolarHBondContact O-N 2.99Å; T63-L67 VanDerWaalsContact O-CG 3.27Å; T63-L67 WeakPolarHBondContact O-CG 3.2Å; T63-L67 PolarHBondContact O-N 3.36Å
64V90.3Very high88.4Confident0 Ų061.5 Ų61.50%034%0.34CS..Hα-helixtrans-59.8-44.7172.9176.60000110.8L52 A55 I56 D60 Q66 L67 L68 L96 L99 L100L52-V64 HydrophobicContact CD1-CB 4.47Å; L52-V64 HydrophobicContact CD1-CG1 4.05Å; L52-V64 HydrophobicContact CD1-CG2 4.12Å; A55-V64 HydrophobicContact CB-CG2 3.73Å; I56-V64 HydrophobicContact CG1-CG2 3.96Å; D60-V64 WeakPolarHBondContact O-CG2 3.37Å; D60-V64 PolarHBondContact O-N 3.38Å; V64-Q66 PolarHBondContact O-N 3.35Å; V64-L67 PolarHBondContact O-N 2.72Å; V64-L68 HydrophobicContact CG1-CD1 3.95Å; V64-L68 HydrophobicContact CG1-CG 4.38Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.41Å; V64-L68 PolarHBondContact O-N 2.81Å; V64-L96 HydrophobicContact CB-CD1 3.92Å; V64-L96 HydrophobicContact CG1-CD1 3.81Å; V64-L96 HydrophobicContact CG2-CD1 3.87Å; V64-L99 HydrophobicContact CB-CD2 4.49Å; V64-L99 HydrophobicContact CG1-CD2 4.25Å; V64-L100 HydrophobicContact CG1-CD2 4.22Å
65K91.5Very high88.4Confident93 Ų9357 Ų5740%0.40432%0.322SS..Hα-helixtrans-59.6-46.9177.2-174.6-178.4175.2-174.50111.8T61 D62 T63 L67 L68 D69 L99T61-K65 VanDerWaalsContact O-CB 3.28Å; T61-K65 WeakPolarHBondContact O-CB 3.34Å; T61-K65 PolarHBondContact O-N 3.35Å; D62-K65 WeakPolarHBondContact O-CB 3.33Å; D62-K65 PolarHBondContact O-N 3.17Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.29Å; K65-L67 PolarHBondContact O-N 3.3Å; K65-L68 PolarHBondContact O-N 3.46Å; K65-D69 WeakPolarHBondContact O-CB 3.33Å; K65-D69 PolarHBondContact O-N 2.95Å; K65-L99 HydrophobicContact CB-CD2 4.04Å; K65-L99 HydrophobicContact CG-CD1 4.46Å
66Q91.5Very high88.2Confident121 Ų12158 Ų5857%0.56533%0.327SS*.Hα-helixtrans-60.9-42.5177.5-73.8178.1-1.100112.3D62 T63 V64 L68 D69 N70D62-Q66 WeakPolarHBondContact O-CG 3.4Å; D62-Q66 PolarHBondContact O-N 3.01Å; T63-Q66 PolarHBondContact O-N 2.99Å; V64-Q66 PolarHBondContact O-N 3.35Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; Q66-L68 PolarHBondContact O-N 2.96Å; Q66-D69 PolarHBondContact O-N 2.78Å; Q66-N70 WeakPolarHBondContact O-CB 3.45Å; Q66-N70 PolarHBondContact O-N 3.1Å; Q66-N70 PolarHBondContact O-ND2 3.39Å
67L89.4Confident88.1Confident19 Ų1963.7 Ų63.710%0.09935%0.348CS..Hα-helixtrans-62.8-42.3178.1-71.5170.6000111.7V51 L52 T63 V64 K65 N70 L72V51-L67 HydrophobicContact CG1-CD1 4.11Å; L52-L67 HydrophobicContact CB-CD1 3.91Å; L52-L67 HydrophobicContact CD1-CD1 3.96Å; T63-L67 VanDerWaalsContact O-CG 3.27Å; T63-L67 WeakPolarHBondContact O-CG 3.2Å; T63-L67 PolarHBondContact O-N 3.36Å; V64-L67 PolarHBondContact O-N 2.72Å; K65-L67 PolarHBondContact O-N 3.3Å; L67-N70 PolarHBondContact O-N 3.11Å; L67-L72 WeakPolarHBondContact O-CB 3.44Å; L67-L72 PolarHBondContact O-N 3.28Å
68L89.2Confident88.1Confident18 Ų1861.5 Ų61.59%0.09433%0.332CS..Hα-helixtrans-67.4-40.1175.4-64.7172.1000111.9V64 K65 Q66 N70 G71 L72 V74 L100 R103V64-L68 HydrophobicContact CG1-CD1 3.95Å; V64-L68 HydrophobicContact CG1-CG 4.38Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.41Å; V64-L68 PolarHBondContact O-N 2.81Å; K65-L68 PolarHBondContact O-N 3.46Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; Q66-L68 PolarHBondContact O-N 2.96Å; L68-N70 PolarHBondContact O-N 3.41Å; L68-G71 PolarHBondContact O-N 3.46Å; L68-L72 HydrophobicContact CD2-CD2 4.11Å; L68-V74 HydrophobicContact CD2-CB 4.12Å; L68-V74 HydrophobicContact CD2-CG2 4.21Å; L68-L100 HydrophobicContact CD1-CD2 3.95Å; L68-R103 HydrophobicContact CD1-CB 4.25Å; L68-R103 HydrophobicContact CD1-CG 4Å
69D90.1Very high87.6Confident94 Ų9456.9 Ų56.950%0.50332%0.319SS..Hα-helixtrans-65-28.2176.8-67-9.3000111.5K65 Q66 G71 R103K65-D69 WeakPolarHBondContact O-CB 3.33Å; K65-D69 PolarHBondContact O-N 2.95Å; Q66-D69 PolarHBondContact O-N 2.78Å; D69-G71 PolarHBondContact O-N 3.22Å; D69-R103 IonicContact OD1-CZ 3.23Å; D69-R103 IonicContact OD1-NH1 3.55Å; D69-R103 PolarHBondContact OD1-NH1 3.38Å; D69-R103 IonicContact OD1-NH2 2.83Å; D69-R103 PolarHBondContact OD1-NH2 3.17Å; D69-R103 IonicContact OD2-NH2 3.03Å
70N88.9Confident87.1Confident138 Ų13862.4 Ų62.474%0.73834%0.337SS*.THydrogen-bonded Turntrans-77.25.1173-69.2-21.9000113.9Q66 L67 L68Q66-N70 WeakPolarHBondContact O-CB 3.45Å; Q66-N70 PolarHBondContact O-N 3.1Å; Q66-N70 PolarHBondContact O-ND2 3.39Å; L67-N70 PolarHBondContact O-N 3.11Å; L68-N70 PolarHBondContact O-N 3.41Å
71G83.6Confident86.7Confident68 Ų6861.2 Ų61.270%0.70134%0.338SS*.THydrogen-bonded Turntrans90.115.7175.500000115L68 D69L68-G71 PolarHBondContact O-N 3.46Å; D69-G71 PolarHBondContact O-N 3.22Å
72L87.9Confident86.5Confident31 Ų3161.8 Ų61.816%0.16233%0.334CS..  trans-67132.2171.3-172.6143.3000110.1N48 L52 L67 L68 V74N48-L72 HydrophobicContact CB-CD1 4.07Å; L52-L72 HydrophobicContact CD2-CD1 4.26Å; L52-L72 HydrophobicContact CD2-CD2 3.61Å; L67-L72 WeakPolarHBondContact O-CB 3.44Å; L67-L72 PolarHBondContact O-N 3.28Å; L68-L72 HydrophobicContact CD2-CD2 4.11Å; L72-V74 PolarHBondContact O-N 3.29Å
73D87.4Confident86.4Confident99 Ų9956.7 Ų56.753%0.52931%0.307SS..  trans-65.1124.6179.3177.819.4000110.9E75 T76D73-E75 PolarHBondContact O-N 3.46Å; D73-E75 VanDerWaalsContact O-N 3.16Å; D73-E75 PolarHBondContact OD1-N 2.98Å; D73-E75 VanDerWaalsContact OD1-N 3.13Å; D73-T76 VanDerWaalsContact O-CB 3.24Å; D73-T76 WeakPolarHBondContact O-CB 3.49Å; D73-T76 PolarHBondContact O-N 3.07Å; D73-T76 PolarHBondContact O-OG1 2.99Å
74V86.8Confident86.4Confident17 Ų1754.8 Ų54.810%0.10330%0.296CS..THydrogen-bonded Turntrans-61.8-24-179.5730000112.5L68 L72 P84 L100 R103 A105L68-V74 HydrophobicContact CD2-CB 4.12Å; L68-V74 HydrophobicContact CD2-CG2 4.21Å; L72-V74 PolarHBondContact O-N 3.29Å; V74-P84 VanDerWaalsContact O-CD 3.31Å; V74-P84 WeakPolarHBondContact O-CD 3.4Å; V74-P84 WeakPolarHBondContact O-CG 3.37Å; V74-L100 HydrophobicContact CG2-CD2 3.95Å; V74-R103 HydrophobicContact CG2-CB 4.18Å; V74-A105 HydrophobicContact CG2-CB 3.83Å
75E86.4Confident86.5Confident33 Ų3354.9 Ų54.915%0.15430%0.296CS..THydrogen-bonded Turntrans-95.112.1177.6-73.2-64143.500113.5D73 R77 T83 A105 S106D73-E75 PolarHBondContact O-N 3.46Å; D73-E75 VanDerWaalsContact O-N 3.16Å; D73-E75 PolarHBondContact OD1-N 2.98Å; D73-E75 VanDerWaalsContact OD1-N 3.13Å; E75-R77 PolarHBondContact O-N 2.8Å; E75-R77 VanDerWaalsContact O-N 3.15Å; E75-R77 IonicContact OE2-NH1 2.75Å; E75-R77 PolarHBondContact OE2-NH1 2.97Å; E75-T83 WeakPolarHBondContact OE2-CG2 3.26Å; E75-A105 WeakPolarHBondContact OE1-CA 3.2Å; E75-S106 PolarHBondContact OE1-N 2.84Å
76T86.3Confident86.4Confident24 Ų2450.4 Ų50.415%0.14728%0.277CS..  trans-49122.6179.7-67.50000110.9I49 D73 L78 P84I49-T76 HydrophobicContact CD1-CG2 4.09Å; I49-T76 HydrophobicContact CG1-CG2 3.84Å; D73-T76 VanDerWaalsContact O-CB 3.24Å; D73-T76 WeakPolarHBondContact O-CB 3.49Å; D73-T76 PolarHBondContact O-N 3.07Å; D73-T76 PolarHBondContact O-OG1 2.99Å; T76-L78 PolarHBondContact O-N 3.48Å; T76-L78 VanDerWaalsContact O-N 3.16Å; T76-P84 VanDerWaalsContact O-CD 3.3Å; T76-P84 WeakPolarHBondContact O-CD 3.22Å
77R85.9Confident86.3Confident121 Ų12145.6 Ų45.646%0.45725%0.253SS..  trans-72.3113.1179-59.5-60.5-178.6-136-8.8109.6E75E75-R77 PolarHBondContact O-N 2.8Å; E75-R77 VanDerWaalsContact O-N 3.15Å; E75-R77 IonicContact OE2-NH1 2.75Å; E75-R77 PolarHBondContact OE2-NH1 2.97Å
78L82.8Confident86.4Confident11 Ų1144.7 Ų44.76%0.05825%0.249CC..  trans-82.6-170.4171.8-66.5176.8000109.9I49 L52 K53 I56 T76 G81 W82 P84 Y87I49-L78 HydrophobicContact CG2-CD2 3.8Å; L52-L78 HydrophobicContact CD2-CD2 4.25Å; K53-L78 HydrophobicContact CB-CD2 4.49Å; I56-L78 HydrophobicContact CD1-CD1 3.93Å; T76-L78 PolarHBondContact O-N 3.48Å; T76-L78 VanDerWaalsContact O-N 3.16Å; L78-G81 PolarHBondContact O-N 2.9Å; L78-W82 WeakPolarHBondContact CB-O 3.36Å; L78-W82 PolarHBondContact N-O 3.46Å; L78-P84 HydrophobicContact CD1-CB 4.45Å; L78-P84 HydrophobicContact CD1-CG 4.19Å; L78-Y87 HydrophobicContact CB-CD2 4.1Å; L78-Y87 HydrophobicContact CB-CE2 3.54Å; L78-Y87 HydrophobicContact CD1-CD2 3.46Å; L78-Y87 VanDerWaalsContact CD1-CD2 3.46Å; L78-Y87 HydrophobicContact CD1-CE2 3.77Å; L78-Y87 HydrophobicContact CD1-CG 4.34Å; L78-Y87 HydrophobicContact CG-CD2 4.41Å; L78-Y87 HydrophobicContact CG-CE2 4.31Å
79G76.2Confident86.5Confident32 Ų3243.9 Ų43.933%0.3324%0.244SC..G310 helixtrans-49.9144.1175.300000112.3G81 W82 Y87G79-G81 PolarHBondContact O-N 3.34Å; G79-W82 PolarHBondContact O-N 3.42Å; G79-Y87 PolarHBondContact O-OH 3.37Å
80F73.7Confident86.5Confident141 Ų14140.7 Ų40.762%0.61823%0.229SC*.G310 helixtrans56.320-175.8-51.7-82.3000114.4W82 K111F80-W82 PolarHBondContact O-N 2.95Å; F80-K111 VanDerWaalsContact O-CD 3.26Å; F80-K111 WeakPolarHBondContact O-CD 3.47Å; F80-K111 WeakPolarHBondContact O-CE 3.25Å; F80-K111 PolarHBondContact O-NZ 3Å
81G79.1Confident86.4Confident30 Ų3037.6 Ų37.631%0.30922%0.215SC..G310 helixtrans69.319.6178.500000114.4L78 G79L78-G81 PolarHBondContact O-N 2.9Å; G79-G81 PolarHBondContact O-N 3.34Å
82W86.5Confident86.7Confident60 Ų6034.7 Ų34.723%0.22718%0.184CC..  trans-77.5151.6174.7-81.931.6000111.2L78 G79 F80 M86 Y87L78-W82 WeakPolarHBondContact CB-O 3.36Å; L78-W82 PolarHBondContact N-O 3.46Å; G79-W82 PolarHBondContact O-N 3.42Å; F80-W82 PolarHBondContact O-N 2.95Å; W82-M86 HydrophobicContact CB-CB 4.3Å; W82-M86 HydrophobicContact CB-SD 4.29Å; W82-M86 HydrophobicContact CD2-CB 4.16Å; W82-M86 HydrophobicContact CE3-CB 3.92Å; W82-M86 HydrophobicContact CG-CB 4.36Å; W82-M86 HydrophobicContact CG-SD 4.13Å; W82-Y87 HydrophobicContact CB-CD2 3.74Å; W82-Y87 HydrophobicContact CB-CE2 3.3Å; W82-Y87 HydrophobicContact CD2-CE2 4.23Å; W82-Y87 AromaticContact CE3-CD1 3.85Å; W82-Y87 HydrophobicContact CE3-CD1 3.85Å; W82-Y87 AromaticContact CE3-CD2 3.86Å; W82-Y87 HydrophobicContact CE3-CD2 3.86Å; W82-Y87 AromaticContact CE3-CE1 3.86Å; W82-Y87 HydrophobicContact CE3-CE1 3.86Å; W82-Y87 AromaticContact CE3-CE2 3.9Å; W82-Y87 HydrophobicContact CE3-CE2 3.9Å; W82-Y87 AromaticContact CE3-CG 3.86Å; W82-Y87 HydrophobicContact CE3-CG 3.86Å; W82-Y87 AromaticContact CE3-CZ 3.89Å; W82-Y87 HydrophobicContact CG-CE2 4.07Å; W82-Y87 HydrophobicContact CZ3-CD1 4.18Å; W82-Y87 HydrophobicContact CZ3-CE1 4.29Å; W82-Y87 HydrophobicContact CZ3-CG 4.48Å
83T89.8Confident86.8Confident0 Ų034.7 Ų34.70%019%0.185CC..  trans-84.3159.5170.455.60000111.2E75 L85 M86 Y87 F109E75-T83 WeakPolarHBondContact OE2-CG2 3.26Å; T83-L85 PolarHBondContact O-N 3.46Å; T83-M86 WeakPolarHBondContact O-CB 3.47Å; T83-M86 PolarHBondContact O-N 3.13Å; T83-M86 VanDerWaalsContact O-N 3.12Å; T83-M86 VanDerWaalsContact OG1-CG 3.32Å; T83-M86 WeakPolarHBondContact OG1-CG 3.44Å; T83-M86 PolarHBondContact OG1-N 2.86Å; T83-M86 VanDerWaalsContact OG1-N 3.1Å; T83-Y87 WeakPolarHBondContact O-CD2 3.48Å; T83-Y87 PolarHBondContact O-N 3.43Å; T83-F109 HydrophobicContact CG2-CB 4.37Å; T83-F109 HydrophobicContact CG2-CD1 3.43Å; T83-F109 VanDerWaalsContact CG2-CD1 3.43Å; T83-F109 HydrophobicContact CG2-CD2 4.28Å; T83-F109 HydrophobicContact CG2-CE1 3.72Å; T83-F109 HydrophobicContact CG2-CG 3.73Å; T83-F109 HydrophobicContact CG2-CZ 4.29Å
84P90.4Very high86.9Confident1 Ų130.8 Ų30.81%0.00617%0.165CC..Hα-helixtrans-52.5-38.1168.6-29.140.3000111.9L52 I56 V74 T76 L78 Y87 A88 L100L52-P84 HydrophobicContact CD2-CG 4.05Å; I56-P84 HydrophobicContact CD1-CB 3.72Å; V74-P84 VanDerWaalsContact O-CD 3.31Å; V74-P84 WeakPolarHBondContact O-CD 3.4Å; V74-P84 WeakPolarHBondContact O-CG 3.37Å; T76-P84 VanDerWaalsContact O-CD 3.3Å; T76-P84 WeakPolarHBondContact O-CD 3.22Å; L78-P84 HydrophobicContact CD1-CB 4.45Å; L78-P84 HydrophobicContact CD1-CG 4.19Å; P84-Y87 PolarHBondContact O-N 3.35Å; P84-A88 PolarHBondContact O-N 3.4Å; P84-L100 HydrophobicContact CB-CD1 3.98Å; P84-L100 HydrophobicContact CB-CD2 3.94Å
85L92.3Very high87.1Confident1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-64.9-43178.3-177.963.1000112.1T83 Y87 A88 V89 A97 L100 L101 A105 V117 L138T83-L85 PolarHBondContact O-N 3.46Å; L85-Y87 VanDerWaalsContact C-N 3.32Å; L85-Y87 PolarHBondContact O-N 2.98Å; L85-A88 PolarHBondContact O-N 3.43Å; L85-V89 HydrophobicContact CD1-CG1 4.19Å; L85-V89 WeakPolarHBondContact O-CG1 3.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.28Å; L85-A97 HydrophobicContact CD1-CB 3.93Å; L85-L100 HydrophobicContact CB-CD1 4.41Å; L85-L100 HydrophobicContact CD1-CB 4.18Å; L85-L101 HydrophobicContact CD1-CD1 4.4Å; L85-L101 HydrophobicContact CD1-CD2 4.37Å; L85-L101 HydrophobicContact CD1-CG 3.96Å; L85-L101 HydrophobicContact CD2-CD2 3.6Å; L85-L101 HydrophobicContact CD2-CG 4.13Å; L85-A105 HydrophobicContact CB-CB 4.13Å; L85-A105 HydrophobicContact CD2-CB 3.95Å; L85-V117 HydrophobicContact CD2-CG1 3.84Å; L85-V117 HydrophobicContact CD2-CG2 4.26Å; L85-V117 HydrophobicContact CG-CG1 3.73Å; L85-L138 HydrophobicContact CD2-CD2 4.32Å
86M90.9Very high87.4Confident0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-58-42.9175.5-77.5178.3138.900112.3W82 T83 V89 S90 F109 W115 V117W82-M86 HydrophobicContact CB-CB 4.3Å; W82-M86 HydrophobicContact CB-SD 4.29Å; W82-M86 HydrophobicContact CD2-CB 4.16Å; W82-M86 HydrophobicContact CE3-CB 3.92Å; W82-M86 HydrophobicContact CG-CB 4.36Å; W82-M86 HydrophobicContact CG-SD 4.13Å; T83-M86 WeakPolarHBondContact O-CB 3.47Å; T83-M86 PolarHBondContact O-N 3.13Å; T83-M86 VanDerWaalsContact O-N 3.12Å; T83-M86 VanDerWaalsContact OG1-CG 3.32Å; T83-M86 WeakPolarHBondContact OG1-CG 3.44Å; T83-M86 PolarHBondContact OG1-N 2.86Å; T83-M86 VanDerWaalsContact OG1-N 3.1Å; M86-V89 VanDerWaalsContact O-CG2 3.3Å; M86-V89 WeakPolarHBondContact O-CG2 3.4Å; M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-N 3.18Å; M86-S90 PolarHBondContact O-OG 3.45Å; M86-F109 HydrophobicContact CE-CD1 3.97Å; M86-F109 HydrophobicContact CE-CE1 4.21Å; M86-F109 HydrophobicContact SD-CD1 3.72Å; M86-F109 HydrophobicContact SD-CE1 3.78Å; M86-W115 WeakPolarHBondContact CE-O 3.39Å; M86-V117 HydrophobicContact CG-CB 4.47Å; M86-V117 HydrophobicContact CG-CG2 3.95Å
87Y88.9Confident87.8Confident20 Ų2032.2 Ų32.28%0.07817%0.172CC..Hα-helixtrans-67.5-41.9176-81.6-78.4000112.5W22 L78 G79 W82 T83 P84 L85 V89 S90 V91W22-Y87 HydrophobicContact CH2-CE1 4.03Å; W22-Y87 HydrophobicContact CZ2-CE1 4.25Å; L78-Y87 HydrophobicContact CB-CD2 4.1Å; L78-Y87 HydrophobicContact CB-CE2 3.54Å; L78-Y87 HydrophobicContact CD1-CD2 3.46Å; L78-Y87 VanDerWaalsContact CD1-CD2 3.46Å; L78-Y87 HydrophobicContact CD1-CE2 3.77Å; L78-Y87 HydrophobicContact CD1-CG 4.34Å; L78-Y87 HydrophobicContact CG-CD2 4.41Å; L78-Y87 HydrophobicContact CG-CE2 4.31Å; G79-Y87 PolarHBondContact O-OH 3.37Å; W82-Y87 HydrophobicContact CB-CD2 3.74Å; W82-Y87 HydrophobicContact CB-CE2 3.3Å; W82-Y87 HydrophobicContact CD2-CE2 4.23Å; W82-Y87 AromaticContact CE3-CD1 3.85Å; W82-Y87 HydrophobicContact CE3-CD1 3.85Å; W82-Y87 AromaticContact CE3-CD2 3.86Å; W82-Y87 HydrophobicContact CE3-CD2 3.86Å; W82-Y87 AromaticContact CE3-CE1 3.86Å; W82-Y87 HydrophobicContact CE3-CE1 3.86Å; W82-Y87 AromaticContact CE3-CE2 3.9Å; W82-Y87 HydrophobicContact CE3-CE2 3.9Å; W82-Y87 AromaticContact CE3-CG 3.86Å; W82-Y87 HydrophobicContact CE3-CG 3.86Å; W82-Y87 AromaticContact CE3-CZ 3.89Å; W82-Y87 HydrophobicContact CG-CE2 4.07Å; W82-Y87 HydrophobicContact CZ3-CD1 4.18Å; W82-Y87 HydrophobicContact CZ3-CE1 4.29Å; W82-Y87 HydrophobicContact CZ3-CG 4.48Å; T83-Y87 WeakPolarHBondContact O-CD2 3.48Å; T83-Y87 PolarHBondContact O-N 3.43Å; P84-Y87 PolarHBondContact O-N 3.35Å; L85-Y87 VanDerWaalsContact C-N 3.32Å; L85-Y87 PolarHBondContact O-N 2.98Å; Y87-V89 VanDerWaalsContact C-N 3.3Å; Y87-V89 PolarHBondContact O-N 3.49Å; Y87-S90 WeakPolarHBondContact CA-OG 3.37Å; Y87-S90 PolarHBondContact O-N 2.85Å; Y87-S90 PolarHBondContact O-OG 3.11Å; Y87-V91 PolarHBondContact O-N 3.39Å
88A91.6Very high88.1Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-59.9-42178.600000111.7P84 L85 A92 N93 L96 A97 L100P84-A88 PolarHBondContact O-N 3.4Å; L85-A88 PolarHBondContact O-N 3.43Å; A88-A92 PolarHBondContact O-N 3.31Å; A88-N93 PolarHBondContact O-N 3.44Å; A88-L96 HydrophobicContact CB-CB 4.22Å; A88-L96 HydrophobicContact CB-CD2 3.83Å; A88-L96 HydrophobicContact CB-CG 3.78Å; A88-A97 HydrophobicContact CB-CB 4.4Å; A88-L100 HydrophobicContact CB-CD1 3.83Å
89V91.6Very high88.5Confident1 Ų131.2 Ų31.21%0.00617%0.17CC..Hα-helixtrans-78.2-27.7179.5-56.60000113.1L85 M86 Y87 V91 A92 A97 V117 A120 A124 L138L85-V89 HydrophobicContact CD1-CG1 4.19Å; L85-V89 WeakPolarHBondContact O-CG1 3.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.28Å; M86-V89 VanDerWaalsContact O-CG2 3.3Å; M86-V89 WeakPolarHBondContact O-CG2 3.4Å; Y87-V89 VanDerWaalsContact C-N 3.3Å; Y87-V89 PolarHBondContact O-N 3.49Å; V89-V91 PolarHBondContact O-N 3.17Å; V89-A92 WeakPolarHBondContact O-CA 3.42Å; V89-A92 PolarHBondContact O-N 3.13Å; V89-A97 HydrophobicContact CG1-CB 3.8Å; V89-V117 HydrophobicContact CG1-CG1 4.28Å; V89-V117 HydrophobicContact CG2-CG1 3.81Å; V89-A120 HydrophobicContact CG2-CB 4.07Å; V89-A124 WeakPolarHBondContact O-CB 3.31Å; V89-L138 HydrophobicContact CG1-CD1 4.15Å
90S89.1Confident89.3Confident27 Ų2729.7 Ų29.719%0.18915%0.154CC..Hα-helixtrans-68.3-23.3175.7690000113.2M86 Y87 A124M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-N 3.18Å; M86-S90 PolarHBondContact O-OG 3.45Å; Y87-S90 WeakPolarHBondContact CA-OG 3.37Å; Y87-S90 PolarHBondContact O-N 2.85Å; Y87-S90 PolarHBondContact O-OG 3.11Å; S90-A124 WeakPolarHBondContact O-CA 3.45Å; S90-A124 WeakPolarHBondContact O-CB 3.21Å
91V87.6Confident90.1Very high73 Ų7323.4 Ų23.444%0.44213%0.127SC..THydrogen-bonded Turntrans-96.75.5171.8-168.20000111.2Y87 V89 N93Y87-V91 PolarHBondContact O-N 3.39Å; V89-V91 PolarHBondContact O-N 3.17Å; V91-N93 PolarHBondContact O-N 3.38Å
92A89.1Confident90.7Very high6 Ų624.9 Ų24.95%0.0513%0.127CC..THydrogen-bonded Turntrans51.836-17600000114A88 V89 C94 A124 S126 K130 I131A88-A92 PolarHBondContact O-N 3.31Å; V89-A92 WeakPolarHBondContact O-CA 3.42Å; V89-A92 PolarHBondContact O-N 3.13Å; A92-C94 PolarHBondContact O-N 3.2Å; A92-A124 HydrophobicContact CB-CB 4.25Å; A92-S126 VanDerWaalsContact CB-CB 3.49Å; A92-K130 HydrophobicContact CB-CB 3.79Å; A92-I131 HydrophobicContact CB-CG1 4.28Å
93N90.1Very high90.7Very high32 Ų3226.1 Ų26.117%0.17113%0.132CC..  trans-87.487.1174.7-171.6-19.4000110.4G59 A88 V91 N95 L96 A97G59-N93 VanDerWaalsContact CA-ND2 3.3Å; G59-N93 WeakPolarHBondContact CA-ND2 3.42Å; A88-N93 PolarHBondContact O-N 3.44Å; V91-N93 PolarHBondContact O-N 3.38Å; N93-N95 VanDerWaalsContact C-N 3.31Å; N93-N95 PolarHBondContact O-N 2.87Å; N93-N95 PolarHBondContact OD1-N 3.46Å; N93-L96 HydrophobicContact CB-CB 4.09Å; N93-L96 VanDerWaalsContact CG-CB 3.48Å; N93-L96 PolarHBondContact O-N 2.67Å; N93-L96 WeakPolarHBondContact OD1-CB 3.08Å; N93-L96 PolarHBondContact OD1-N 2.85Å; N93-L96 VanDerWaalsContact OD1-N 3.13Å; N93-A97 WeakPolarHBondContact O-CB 3.49Å; N93-A97 PolarHBondContact O-N 3.32Å
94C90.4Very high90.5Very high16 Ų1628.8 Ų28.811%0.10816%0.159CC..Hα-helixtrans-72.1-22.9-173.6-48.40000113.7A92 R98 K130 H133 C134A92-C94 PolarHBondContact O-N 3.2Å; C94-R98 VanDerWaalsContact O-CB 3.28Å; C94-R98 WeakPolarHBondContact O-CB 3.36Å; C94-R98 PolarHBondContact O-N 3.37Å; C94-K130 PolarHBondContact SG-O 3.23Å; C94-H133 HydrophobicContact CB-CB 4.46Å; C94-C134 WeakPolarHBondContact CA-SG 3.3Å; C94-C134 HydrophobicContact CB-CB 4.4Å; C94-C134 WeakPolarHBondContact CB-SG 3.3Å; C94-C134 PolarHBondContact N-SG 2.95Å; C94-C134 VanDerWaalsContact N-SG 3.41Å; C94-C134 VanDerWaalsContact SG-CA 3.5Å; C94-C134 WeakPolarHBondContact SG-CB 3.17Å; C94-C134 PolarHBondContact SG-N 2.84Å; C94-C134 CovalentContact SG-SG 2.07Å; C94-C134 PolarHBondContact SG-SG 3.25Å
95N91.7Very high90.4Very high105 Ų10529.2 Ų29.256%0.56116%0.163SC*.Hα-helixtrans-68.5-44.6173.7-72.2-24.2000110.9N93 R98 L99N93-N95 VanDerWaalsContact C-N 3.31Å; N93-N95 PolarHBondContact O-N 2.87Å; N93-N95 PolarHBondContact OD1-N 3.46Å; N95-R98 PolarHBondContact O-N 2.81Å; N95-R98 PolarHBondContact OD1-NH1 3.47Å; N95-L99 PolarHBondContact O-N 3.27Å
96L92.4Very high90.1Very high0 Ų031.6 Ų31.60%018%0.18CC..Hα-helixtrans-67.3-42.2175.9-177.859.8000111.8I56 T61 V64 A88 N93 R98 L99 L100I56-L96 HydrophobicContact CB-CD2 4.07Å; I56-L96 HydrophobicContact CG1-CD2 4.07Å; I56-L96 HydrophobicContact CG2-CD2 3.81Å; T61-L96 HydrophobicContact CG2-CB 4.2Å; T61-L96 HydrophobicContact CG2-CD1 4.34Å; V64-L96 HydrophobicContact CB-CD1 3.92Å; V64-L96 HydrophobicContact CG1-CD1 3.81Å; V64-L96 HydrophobicContact CG2-CD1 3.87Å; A88-L96 HydrophobicContact CB-CB 4.22Å; A88-L96 HydrophobicContact CB-CD2 3.83Å; A88-L96 HydrophobicContact CB-CG 3.78Å; N93-L96 HydrophobicContact CB-CB 4.09Å; N93-L96 VanDerWaalsContact CG-CB 3.48Å; N93-L96 PolarHBondContact O-N 2.67Å; N93-L96 WeakPolarHBondContact OD1-CB 3.08Å; N93-L96 PolarHBondContact OD1-N 2.85Å; N93-L96 VanDerWaalsContact OD1-N 3.13Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 3.29Å; L96-L99 HydrophobicContact CD1-CD2 4.37Å; L96-L99 PolarHBondContact O-N 3.27Å; L96-L100 HydrophobicContact CD1-CD1 4.39Å; L96-L100 HydrophobicContact CD1-CG 4.48Å; L96-L100 HydrophobicContact CG-CD1 4.16Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.49Å
97A92.9Very high89.6Confident0 Ų032 Ų320%018%0.183CC..Hα-helixtrans-58.8-41.9174.200000111.6L85 A88 V89 N93 L100 L101 L137L85-A97 HydrophobicContact CD1-CB 3.93Å; A88-A97 HydrophobicContact CB-CB 4.4Å; V89-A97 HydrophobicContact CG1-CB 3.8Å; N93-A97 WeakPolarHBondContact O-CB 3.49Å; N93-A97 PolarHBondContact O-N 3.32Å; A97-L100 PolarHBondContact O-N 2.87Å; A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 WeakPolarHBondContact O-CD1 3.33Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.28Å; A97-L101 PolarHBondContact O-N 3.18Å; A97-L137 HydrophobicContact CB-CD2 4.2Å
98R92.9Very high89.1Confident81 Ų8135.1 Ų35.131%0.30620%0.201SC..Hα-helixtrans-62-48.4175.6-166.3-177.9-62.2123.9-5.3111.6C94 N95 L96 L100 L101 D102 L137C94-R98 VanDerWaalsContact O-CB 3.28Å; C94-R98 WeakPolarHBondContact O-CB 3.36Å; C94-R98 PolarHBondContact O-N 3.37Å; N95-R98 PolarHBondContact O-N 2.81Å; N95-R98 PolarHBondContact OD1-NH1 3.47Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 3.29Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.35Å; R98-L101 PolarHBondContact O-N 3.19Å; R98-D102 WeakPolarHBondContact O-CB 3.35Å; R98-D102 PolarHBondContact O-N 3.34Å; R98-L137 HydrophobicContact CB-CD2 3.88Å; R98-L137 HydrophobicContact CG-CD1 4.46Å; R98-L137 HydrophobicContact CG-CD2 4.45Å
99L92.4Very high88.4Confident30 Ų3036.6 Ų36.616%0.15721%0.208CC..Hα-helixtrans-54.8-48.3175.917969.8000111.3V64 K65 N95 L96 D102 R103V64-L99 HydrophobicContact CB-CD2 4.49Å; V64-L99 HydrophobicContact CG1-CD2 4.25Å; K65-L99 HydrophobicContact CB-CD2 4.04Å; K65-L99 HydrophobicContact CG-CD1 4.46Å; N95-L99 PolarHBondContact O-N 3.27Å; L96-L99 HydrophobicContact CD1-CD2 4.37Å; L96-L99 PolarHBondContact O-N 3.27Å; L99-D102 PolarHBondContact O-N 3.42Å; L99-R103 WeakPolarHBondContact O-CG 3.28Å; L99-R103 PolarHBondContact O-N 2.81Å; L99-R103 VanDerWaalsContact O-N 3.08Å
100L91.8Very high87.4Confident0 Ų038.9 Ų38.90%022%0.223CC..Hα-helixtrans-64.2-42.9-179.2-69.6167.4000112.1V64 L68 V74 P84 L85 A88 L96 A97 R98 D102 R103 G104 A105V64-L100 HydrophobicContact CG1-CD2 4.22Å; L68-L100 HydrophobicContact CD1-CD2 3.95Å; V74-L100 HydrophobicContact CG2-CD2 3.95Å; P84-L100 HydrophobicContact CB-CD1 3.98Å; P84-L100 HydrophobicContact CB-CD2 3.94Å; L85-L100 HydrophobicContact CB-CD1 4.41Å; L85-L100 HydrophobicContact CD1-CB 4.18Å; A88-L100 HydrophobicContact CB-CD1 3.83Å; L96-L100 HydrophobicContact CD1-CD1 4.39Å; L96-L100 HydrophobicContact CD1-CG 4.48Å; L96-L100 HydrophobicContact CG-CD1 4.16Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.49Å; A97-L100 PolarHBondContact O-N 2.87Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.35Å; L100-D102 PolarHBondContact O-N 3.19Å; L100-R103 CarbonylContact O-C 3.59Å; L100-R103 PolarHBondContact O-N 2.9Å; L100-G104 PolarHBondContact O-N 2.88Å; L100-A105 HydrophobicContact CB-CB 4.1Å; L100-A105 WeakPolarHBondContact O-CB 3.19Å; L100-A105 PolarHBondContact O-N 2.78Å
101L90.8Very high86.6Confident9 Ų940.2 Ų40.25%0.04723%0.226CC..Hα-helixtrans-64.3-37.3175.7-71.9166.1000112.5L85 A97 R98 R103 G104 A107 L137 L138 R141L85-L101 HydrophobicContact CD1-CD1 4.4Å; L85-L101 HydrophobicContact CD1-CD2 4.37Å; L85-L101 HydrophobicContact CD1-CG 3.96Å; L85-L101 HydrophobicContact CD2-CD2 3.6Å; L85-L101 HydrophobicContact CD2-CG 4.13Å; A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 WeakPolarHBondContact O-CD1 3.33Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.28Å; A97-L101 PolarHBondContact O-N 3.18Å; R98-L101 PolarHBondContact O-N 3.19Å; L101-R103 PolarHBondContact O-N 3.09Å; L101-G104 PolarHBondContact O-N 3.44Å; L101-A107 HydrophobicContact CD2-CB 3.9Å; L101-L137 HydrophobicContact CD1-CD1 4.32Å; L101-L137 HydrophobicContact CD1-CD2 3.84Å; L101-L137 HydrophobicContact CD1-CG 3.72Å; L101-L138 HydrophobicContact CD1-CD2 4.26Å; L101-R141 HydrophobicContact CD1-CG 4.21Å; L101-R141 HydrophobicContact CD2-CG 4.4Å; L101-R141 PolarHBondContact O-NH1 3.38Å
102D91Very high85.6Confident60 Ų6040.2 Ų40.232%0.32123%0.234SC..Hα-helixtrans-69.5-23.6176.2-63.1-23.2000112.3R98 L99 L100 G104 R141 Q386R98-D102 WeakPolarHBondContact O-CB 3.35Å; R98-D102 PolarHBondContact O-N 3.34Å; L99-D102 PolarHBondContact O-N 3.42Å; L100-D102 PolarHBondContact O-N 3.19Å; D102-G104 VanDerWaalsContact C-N 3.31Å; D102-R141 IonicContact OD1-CZ 3.54Å; D102-R141 IonicContact OD1-NH1 2.6Å; D102-R141 IonicContact OD1-NH2 3.23Å; D102-R141 PolarHBondContact OD1-NH2 3.33Å; D102-Q386 PolarHBondContact OD2-NE2 3.13Å; D102-Q386 PolarHBondContact OD2-OE1 3.22Å
103R87.9Confident84.5Confident87 Ų8742 Ų4233%0.32824%0.242SC..THydrogen-bonded Turntrans-90.58.8174.1-60.5-61.7-179.885.2-16.8113.4L68 D69 V74 L99 L100 L101L68-R103 HydrophobicContact CD1-CB 4.25Å; L68-R103 HydrophobicContact CD1-CG 4Å; D69-R103 IonicContact OD1-CZ 3.23Å; D69-R103 IonicContact OD1-NH1 3.55Å; D69-R103 PolarHBondContact OD1-NH1 3.38Å; D69-R103 IonicContact OD1-NH2 2.83Å; D69-R103 PolarHBondContact OD1-NH2 3.17Å; D69-R103 IonicContact OD2-NH2 3.03Å; V74-R103 HydrophobicContact CG2-CB 4.18Å; L99-R103 WeakPolarHBondContact O-CG 3.28Å; L99-R103 PolarHBondContact O-N 2.81Å; L99-R103 VanDerWaalsContact O-N 3.08Å; L100-R103 CarbonylContact O-C 3.59Å; L100-R103 PolarHBondContact O-N 2.9Å; L101-R103 PolarHBondContact O-N 3.09Å
104G84.7Confident84Confident55 Ų5541.9 Ų41.957%0.56724%0.243SC*.THydrogen-bonded Turntrans93.914.2172.400000115.4L100 L101 D102L100-G104 PolarHBondContact O-N 2.88Å; L101-G104 PolarHBondContact O-N 3.44Å; D102-G104 VanDerWaalsContact C-N 3.31Å
105A88.1Confident83.7Confident10 Ų1044 Ų448%0.08325%0.249CC..  trans-59.3141.6170.600000111.1V74 E75 L85 L100 A107V74-A105 HydrophobicContact CG2-CB 3.83Å; E75-A105 WeakPolarHBondContact OE1-CA 3.2Å; L85-A105 HydrophobicContact CB-CB 4.13Å; L85-A105 HydrophobicContact CD2-CB 3.95Å; L100-A105 HydrophobicContact CB-CB 4.1Å; L100-A105 WeakPolarHBondContact O-CB 3.19Å; L100-A105 PolarHBondContact O-N 2.78Å; A105-A107 PolarHBondContact O-N 3.33Å
106S85.7Confident83.6Confident52 Ų5239.3 Ų39.336%0.36422%0.224SC..  trans-83.6114.8179.1-178.60000111.3E75 N108 F109E75-S106 PolarHBondContact OE1-N 2.84Å; S106-N108 PolarHBondContact O-N 3.3Å; S106-N108 PolarHBondContact OG-N 2.86Å; S106-F109 PolarHBondContact O-N 2.83Å; S106-F109 PolarHBondContact OG-N 3.4Å
107A80.6Confident83.5Confident7 Ų739.3 Ų39.36%0.05822%0.224CC..THydrogen-bonded Turntrans-64.7-22.9171.300000112.9L101 A105 L138 R141 A143L101-A107 HydrophobicContact CD2-CB 3.9Å; A105-A107 PolarHBondContact O-N 3.33Å; A107-L138 HydrophobicContact CB-CD2 4.08Å; A107-R141 HydrophobicContact CB-CB 3.98Å; A107-A143 HydrophobicContact CB-CB 4.38Å
108N78.9Confident83.4Confident87 Ų8739.3 Ų39.347%0.46523%0.225SC..THydrogen-bonded Turntrans-93.47.5-179.3-75-44.3000113.3S106 S110 S142 A143 D144S106-N108 PolarHBondContact O-N 3.3Å; S106-N108 PolarHBondContact OG-N 2.86Å; N108-S110 PolarHBondContact O-N 3.21Å; N108-S142 PolarHBondContact ND2-O 3.01Å; N108-S142 PolarHBondContact OD1-O 2.96Å; N108-A143 VanDerWaalsContact OD1-CA 3.31Å; N108-A143 WeakPolarHBondContact OD1-CA 3.34Å; N108-D144 PolarHBondContact OD1-N 3.28Å
109F75.8Confident83.4Confident31 Ų3135.5 Ų35.514%0.13621%0.21CC..  trans-60130.8178.6179.1-101.9000110.9T83 M86 S106 K111 T116 V117T83-F109 HydrophobicContact CG2-CB 4.37Å; T83-F109 HydrophobicContact CG2-CD1 3.43Å; T83-F109 VanDerWaalsContact CG2-CD1 3.43Å; T83-F109 HydrophobicContact CG2-CD2 4.28Å; T83-F109 HydrophobicContact CG2-CE1 3.72Å; T83-F109 HydrophobicContact CG2-CG 3.73Å; T83-F109 HydrophobicContact CG2-CZ 4.29Å; M86-F109 HydrophobicContact CE-CD1 3.97Å; M86-F109 HydrophobicContact CE-CE1 4.21Å; M86-F109 HydrophobicContact SD-CD1 3.72Å; M86-F109 HydrophobicContact SD-CE1 3.78Å; S106-F109 PolarHBondContact O-N 2.83Å; S106-F109 PolarHBondContact OG-N 3.4Å; F109-K111 HydrophobicContact CE1-CB 4.43Å; F109-T116 WeakPolarHBondContact O-CA 3.35Å; F109-V117 HydrophobicContact CB-CG2 3.99Å; F109-V117 PolarHBondContact O-N 2.76Å
110S71.8Confident83.3Confident48 Ų4834 Ų3434%0.33620%0.203SC..BIsolated β-bridgetrans-124.9132.2171.2710000110.1N108 W115N108-S110 PolarHBondContact O-N 3.21Å; S110-W115 VanDerWaalsContact CA-O 3.3Å; S110-W115 WeakPolarHBondContact CA-O 3.35Å
111K72.4Confident83.3Confident56 Ų5634 Ų3424%0.24320%0.203CC..  trans-66.8168.4170.2-175.5176.6167.8-172.60110F80 F109 D113 C114 W115F80-K111 VanDerWaalsContact O-CD 3.26Å; F80-K111 WeakPolarHBondContact O-CD 3.47Å; F80-K111 WeakPolarHBondContact O-CE 3.25Å; F80-K111 PolarHBondContact O-NZ 3Å; F109-K111 HydrophobicContact CE1-CB 4.43Å; K111-D113 PolarHBondContact O-N 3.08Å; K111-C114 WeakPolarHBondContact O-CA 3.35Å; K111-C114 PolarHBondContact O-N 3.47Å; K111-W115 PolarHBondContact N-O 3.23Å
112A67Low83.3Confident73 Ų7333.6 Ų33.660%0.60320%0.2SC*.THydrogen-bonded Turntrans-45.1-28.5174.900000115.5C114 R150A112-C114 VanDerWaalsContact C-N 3.28Å; A112-C114 PolarHBondContact O-N 3.47Å; A112-R150 PolarHBondContact O-NE 3.42Å; A112-R150 VanDerWaalsContact O-NE 3.16Å; A112-R150 PolarHBondContact O-NH2 3.48Å
113D65.1Low83.2Confident42 Ų4232.7 Ų32.723%0.22520%0.197CC..THydrogen-bonded Turntrans-85.613.7175-69.7-57.6000114.1K111 W115 R150 R151K111-D113 PolarHBondContact O-N 3.08Å; D113-W115 PolarHBondContact O-N 2.91Å; D113-R150 WeakPolarHBondContact O-CB 3.03Å; D113-R150 PolarHBondContact O-N 3.21Å; D113-R151 VanDerWaalsContact CG-NE 3.35Å; D113-R151 IonicContact OD1-CZ 2.72Å; D113-R151 IonicContact OD1-NE 3.66Å; D113-R151 PolarHBondContact OD1-NE 3.32Å; D113-R151 IonicContact OD1-NH2 3.88Å; D113-R151 PolarHBondContact OD1-NH2 3.32Å; D113-R151 IonicContact OD2-CZ 3.44Å; D113-R151 IonicContact OD2-NE 3.66Å; D113-R151 IonicContact OD2-NH2 3.14Å; D113-R151 PolarHBondContact OD2-NH2 3.21Å
114C78.8Confident83.3Confident30 Ų3029 Ų2920%0.20319%0.185CC..  trans56.815.4-171.9-55.40000114.4K111 A112 T116 V148 R150K111-C114 WeakPolarHBondContact O-CA 3.35Å; K111-C114 PolarHBondContact O-N 3.47Å; A112-C114 VanDerWaalsContact C-N 3.28Å; A112-C114 PolarHBondContact O-N 3.47Å; C114-T116 WeakPolarHBondContact O-CG2 3.46Å; C114-T116 PolarHBondContact O-N 3.49Å; C114-V148 WeakPolarHBondContact CB-O 2.83Å; C114-R150 HydrophobicContact CB-CB 4.18Å
115W85Confident83.1Confident60 Ų6031.5 Ų31.523%0.22719%0.194CC..  trans-68.8116.5173.5-167.5-95.8000109.3M86 S110 K111 D113 M119 T123 D149 L159M86-W115 WeakPolarHBondContact CE-O 3.39Å; S110-W115 VanDerWaalsContact CA-O 3.3Å; S110-W115 WeakPolarHBondContact CA-O 3.35Å; K111-W115 PolarHBondContact N-O 3.23Å; D113-W115 PolarHBondContact O-N 2.91Å; W115-M119 HydrophobicContact CD2-CB 3.97Å; W115-M119 HydrophobicContact CD2-SD 4.24Å; W115-M119 HydrophobicContact CE3-CB 4.29Å; W115-M119 HydrophobicContact CE3-SD 3.94Å; W115-M119 HydrophobicContact CH2-CB 4.16Å; W115-M119 HydrophobicContact CZ2-CB 3.81Å; W115-M119 HydrophobicContact CZ3-CB 4.38Å; W115-M119 HydrophobicContact CZ3-SD 4.33Å; W115-T123 HydrophobicContact CH2-CG2 3.87Å; W115-T123 HydrophobicContact CZ2-CG2 3.73Å; W115-D149 HydrophobicContact CE3-CB 4.11Å; W115-D149 HydrophobicContact CZ3-CB 4.44Å; W115-L159 HydrophobicContact CH2-CD1 3.65Å; W115-L159 HydrophobicContact CH2-CD2 4.18Å; W115-L159 HydrophobicContact CZ2-CD1 4.31Å; W115-L159 HydrophobicContact CZ3-CD1 4.15Å
116T89.2Confident83.1Confident7 Ų733.2 Ų33.24%0.04321%0.205CC..BIsolated β-bridgetrans-92.6164-174.569.20000112.3F109 C114 L118 M119 A120 M147F109-T116 WeakPolarHBondContact O-CA 3.35Å; C114-T116 WeakPolarHBondContact O-CG2 3.46Å; C114-T116 PolarHBondContact O-N 3.49Å; T116-L118 PolarHBondContact O-N 3.3Å; T116-L118 PolarHBondContact OG1-N 2.91Å; T116-M119 HydrophobicContact CG2-CE 4.44Å; T116-M119 HydrophobicContact CG2-SD 4.45Å; T116-M119 PolarHBondContact O-N 3.23Å; T116-M119 WeakPolarHBondContact OG1-CG 3.27Å; T116-M119 PolarHBondContact OG1-N 3.08Å; T116-M119 VanDerWaalsContact OG1-N 3.11Å; T116-A120 PolarHBondContact O-N 3.21Å; T116-A120 VanDerWaalsContact O-N 3.08Å; T116-M147 HydrophobicContact CG2-CB 3.74Å; T116-M147 HydrophobicContact CG2-CG 4.13Å
117V89.9Confident83.3Confident0 Ų033.6 Ų33.60%021%0.208CC..Hα-helixtrans-57.5-39.8170.7-1740000111.1L85 M86 V89 F109 A120 S121 L138L85-V117 HydrophobicContact CD2-CG1 3.84Å; L85-V117 HydrophobicContact CD2-CG2 4.26Å; L85-V117 HydrophobicContact CG-CG1 3.73Å; M86-V117 HydrophobicContact CG-CB 4.47Å; M86-V117 HydrophobicContact CG-CG2 3.95Å; V89-V117 HydrophobicContact CG1-CG1 4.28Å; V89-V117 HydrophobicContact CG2-CG1 3.81Å; F109-V117 HydrophobicContact CB-CG2 3.99Å; F109-V117 PolarHBondContact O-N 2.76Å; V117-A120 WeakPolarHBondContact O-CB 3.47Å; V117-A120 PolarHBondContact O-N 3.02Å; V117-S121 PolarHBondContact O-N 3.49Å; V117-L138 HydrophobicContact CB-CD2 4.46Å; V117-L138 HydrophobicContact CG1-CD1 3.91Å; V117-L138 HydrophobicContact CG1-CD2 3.65Å; V117-L138 HydrophobicContact CG1-CG 4.45Å
118L92.1Very high83.7Confident1 Ų135.8 Ų35.81%0.00522%0.217CC..Hα-helixtrans-63.9-42.7178.3-168.664.8000111.6T116 A120 S121 C122 V135 L138 L139 A143 P145 C156 L172T116-L118 PolarHBondContact O-N 3.3Å; T116-L118 PolarHBondContact OG1-N 2.91Å; L118-A120 PolarHBondContact O-N 2.84Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L118-S121 PolarHBondContact O-N 3.47Å; L118-S121 PolarHBondContact O-OG 3.3Å; L118-C122 PolarHBondContact O-N 3.32Å; L118-C122 VanDerWaalsContact O-N 3.11Å; L118-C122 PolarHBondContact O-SG 3.08Å; L118-V135 HydrophobicContact CD1-CB 4.49Å; L118-V135 HydrophobicContact CD1-CG1 4.14Å; L118-V135 HydrophobicContact CD1-CG2 4.42Å; L118-L138 HydrophobicContact CD1-CB 3.94Å; L118-L138 HydrophobicContact CD1-CD1 3.99Å; L118-L139 HydrophobicContact CD1-CD2 4.4Å; L118-L139 HydrophobicContact CD1-CG 4.33Å; L118-L139 HydrophobicContact CD2-CD2 3.91Å; L118-A143 HydrophobicContact CD2-CB 4.42Å; L118-P145 HydrophobicContact CD2-CB 4.19Å; L118-C156 HydrophobicContact CD2-CB 4.36Å; L118-C156 HydrophobicContact CG-CB 4.45Å; L118-L172 HydrophobicContact CD2-CD2 4.06Å
119M91.6Very high84.2Confident0 Ų035.5 Ų35.50%022%0.216CC..Hα-helixtrans-60.6-43.5173.8-69.8172.4-175.800112W115 T116 S121 C122 T123 M147 D149 M154 C156 L159W115-M119 HydrophobicContact CD2-CB 3.97Å; W115-M119 HydrophobicContact CD2-SD 4.24Å; W115-M119 HydrophobicContact CE3-CB 4.29Å; W115-M119 HydrophobicContact CE3-SD 3.94Å; W115-M119 HydrophobicContact CH2-CB 4.16Å; W115-M119 HydrophobicContact CZ2-CB 3.81Å; W115-M119 HydrophobicContact CZ3-CB 4.38Å; W115-M119 HydrophobicContact CZ3-SD 4.33Å; T116-M119 HydrophobicContact CG2-CE 4.44Å; T116-M119 HydrophobicContact CG2-SD 4.45Å; T116-M119 PolarHBondContact O-N 3.23Å; T116-M119 WeakPolarHBondContact OG1-CG 3.27Å; T116-M119 PolarHBondContact OG1-N 3.08Å; T116-M119 VanDerWaalsContact OG1-N 3.11Å; M119-S121 VanDerWaalsContact C-N 3.26Å; M119-S121 PolarHBondContact O-N 3.04Å; M119-C122 PolarHBondContact O-N 3.46Å; M119-T123 PolarHBondContact O-N 3.22Å; M119-T123 PolarHBondContact O-OG1 3.45Å; M119-M147 VanDerWaalsContact CE-C 3.5Å; M119-M147 HydrophobicContact CE-CB 4.29Å; M119-M147 WeakPolarHBondContact CE-O 3.3Å; M119-D149 HydrophobicContact CE-CB 4.35Å; M119-D149 HydrophobicContact SD-CB 4.05Å; M119-M154 WeakPolarHBondContact CE-O 3.19Å; M119-C156 VanDerWaalsContact CG-SG 3.53Å; M119-L159 HydrophobicContact CB-CD1 3.81Å; M119-L159 HydrophobicContact CG-CD1 3.84Å
120A90.4Very high84.9Confident0 Ų039.6 Ų39.60%023%0.233CC..Hα-helixtrans-59.5-37.6176.500000112.2V89 T116 V117 L118 T123 A124V89-A120 HydrophobicContact CG2-CB 4.07Å; T116-A120 PolarHBondContact O-N 3.21Å; T116-A120 VanDerWaalsContact O-N 3.08Å; V117-A120 WeakPolarHBondContact O-CB 3.47Å; V117-A120 PolarHBondContact O-N 3.02Å; L118-A120 PolarHBondContact O-N 2.84Å; A120-T123 PolarHBondContact O-N 3.15Å; A120-T123 PolarHBondContact O-OG1 2.99Å; A120-A124 PolarHBondContact O-N 3.48Å
121S92.4Very high85.8Confident0 Ų037.4 Ų37.40%022%0.218CC..Hα-helixtrans-66.2-41.5175.8790000112.5V117 L118 M119 T123 A124 I131 V135V117-S121 PolarHBondContact O-N 3.49Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L118-S121 PolarHBondContact O-N 3.47Å; L118-S121 PolarHBondContact O-OG 3.3Å; M119-S121 VanDerWaalsContact C-N 3.26Å; M119-S121 PolarHBondContact O-N 3.04Å; S121-T123 PolarHBondContact O-N 2.86Å; S121-A124 VanDerWaalsContact O-CB 3.27Å; S121-A124 WeakPolarHBondContact O-CB 3.31Å; S121-A124 PolarHBondContact O-N 3.14Å; S121-I131 VanDerWaalsContact O-CG2 3.29Å; S121-I131 WeakPolarHBondContact O-CG2 3.34Å; S121-V135 VanDerWaalsContact OG-CG2 3.3Å; S121-V135 WeakPolarHBondContact OG-CG2 3.47Å
122C90.7Very high86.7Confident0 Ų035.1 Ų35.10%021%0.21CC..Hα-helixtrans-66.6-25.1179-64.90000113L118 M119 L159 L165L118-C122 PolarHBondContact O-N 3.32Å; L118-C122 VanDerWaalsContact O-N 3.11Å; L118-C122 PolarHBondContact O-SG 3.08Å; M119-C122 PolarHBondContact O-N 3.46Å; C122-L159 HydrophobicContact CB-CB 4.15Å; C122-L165 WeakPolarHBondContact O-CD1 3.05Å
123T89.5Confident87.9Confident40 Ų4037 Ų3725%0.24521%0.206CC..THydrogen-bonded Turntrans-92.85.5177.857.30000114.3W115 M119 A120 S121 L159W115-T123 HydrophobicContact CH2-CG2 3.87Å; W115-T123 HydrophobicContact CZ2-CG2 3.73Å; M119-T123 PolarHBondContact O-N 3.22Å; M119-T123 PolarHBondContact O-OG1 3.45Å; A120-T123 PolarHBondContact O-N 3.15Å; A120-T123 PolarHBondContact O-OG1 2.99Å; S121-T123 PolarHBondContact O-N 2.86Å; T123-L159 HydrophobicContact CG2-CD1 4.2Å; T123-L159 HydrophobicContact CG2-CD2 4.26Å
124A89.4Confident89.2Confident10 Ų1035.1 Ų35.18%0.08320%0.196CC..  trans-66.2136.9-176.900000112V89 S90 A92 A120 S121 S126 I131V89-A124 WeakPolarHBondContact O-CB 3.31Å; S90-A124 WeakPolarHBondContact O-CA 3.45Å; S90-A124 WeakPolarHBondContact O-CB 3.21Å; A92-A124 HydrophobicContact CB-CB 4.25Å; A120-A124 PolarHBondContact O-N 3.48Å; S121-A124 VanDerWaalsContact O-CB 3.27Å; S121-A124 WeakPolarHBondContact O-CB 3.31Å; S121-A124 PolarHBondContact O-N 3.14Å; A124-S126 VanDerWaalsContact C-N 3.27Å; A124-S126 PolarHBondContact O-N 3.14Å; A124-I131 HydrophobicContact CB-CD1 4.37Å; A124-I131 HydrophobicContact CB-CG1 4.14Å; A124-I131 VanDerWaalsContact O-CD1 3.22Å; A124-I131 WeakPolarHBondContact O-CD1 3.08Å
125S81.6Confident89.9Confident108 Ų10833.7 Ų33.776%0.75519%0.186SC*.SBendtrans-84.864.6178.8-61.10000111.3
126S88Confident90.2Very high46 Ų4634.5 Ų34.532%0.32219%0.192SC..SBendtrans-141.3177.5-177.5-87.60000112.3A92 A124 I131A92-S126 VanDerWaalsContact CB-CB 3.49Å; A124-S126 VanDerWaalsContact C-N 3.27Å; A124-S126 PolarHBondContact O-N 3.14Å; S126-I131 WeakPolarHBondContact O-CD1 3.33Å
127S89Confident90.3Very high60 Ų6034.7 Ų34.742%0.4219%0.193SC..  trans-61.8142.3174.761.80000110.9D129 K130 I131S127-D129 PolarHBondContact O-N 3.32Å; S127-D129 VanDerWaalsContact O-N 3.11Å; S127-K130 PolarHBondContact O-N 3.5Å; S127-K130 WeakPolarHBondContact OG-CG 3.34Å; S127-I131 WeakPolarHBondContact O-CG1 3.21Å; S127-I131 PolarHBondContact O-N 3.18Å; S127-I131 VanDerWaalsContact O-N 3.12Å
128E88.9Confident90.4Very high53 Ų5334.7 Ų34.725%0.24819%0.193CC..Hα-helixtrans-52.4-35.9179-178.9-177.9-150.500112.2I131 G132 L165 C166 K167E128-I131 PolarHBondContact O-N 3.29Å; E128-G132 PolarHBondContact O-N 3.05Å; E128-L165 HydrophobicContact CB-CD2 4.12Å; E128-L165 HydrophobicContact CG-CB 4.48Å; E128-L165 HydrophobicContact CG-CD2 4.07Å; E128-L165 VanDerWaalsContact OE1-CA 3.3Å; E128-L165 WeakPolarHBondContact OE1-CA 3.45Å; E128-C166 PolarHBondContact OE1-N 3.43Å; E128-K167 HydrophobicContact CG-CB 4.09Å; E128-K167 HydrophobicContact CG-CD 4.31Å; E128-K167 HydrophobicContact CG-CG 4.35Å; E128-K167 WeakPolarHBondContact OE1-CB 3.4Å; E128-K167 PolarHBondContact OE1-N 3.19Å
129D89.1Confident90.2Very high81 Ų8135.1 Ų35.143%0.43320%0.196SC..Hα-helixtrans-60.5-47.6177.1-65.7-35.2000112S127 I131 G132 H133 K167S127-D129 PolarHBondContact O-N 3.32Å; S127-D129 VanDerWaalsContact O-N 3.11Å; D129-I131 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 3.02Å; D129-G132 PolarHBondContact O-N 3.26Å; D129-H133 PolarHBondContact O-N 3.43Å; D129-H133 PolarHBondContact O-ND1 2.95Å; D129-K167 IonicContact OD1-NZ 3.28Å; D129-K167 PolarHBondContact OD1-NZ 2.95Å
130K90.6Very high90.1Very high116 Ų11636.8 Ų36.850%0.50421%0.207SC..Hα-helixtrans-65-42.1178.8-69.7-178.8178.9-176.20110.8A92 C94 S127 G132 H133 C134A92-K130 HydrophobicContact CB-CB 3.79Å; C94-K130 PolarHBondContact SG-O 3.23Å; S127-K130 PolarHBondContact O-N 3.5Å; S127-K130 WeakPolarHBondContact OG-CG 3.34Å; K130-G132 VanDerWaalsContact C-N 3.33Å; K130-G132 PolarHBondContact O-N 2.89Å; K130-H133 PolarHBondContact O-N 3.38Å; K130-C134 PolarHBondContact O-N 3.49Å; K130-C134 VanDerWaalsContact O-N 3.15Å
131I91.7Very high89.8Confident3 Ų341.1 Ų41.12%0.01522%0.223CC..Hα-helixtrans-60-47.2176.2-59.2173.6000110.1A92 S121 A124 S126 S127 E128 D129 H133 C134 V135 L165 V168A92-I131 HydrophobicContact CB-CG1 4.28Å; S121-I131 VanDerWaalsContact O-CG2 3.29Å; S121-I131 WeakPolarHBondContact O-CG2 3.34Å; A124-I131 HydrophobicContact CB-CD1 4.37Å; A124-I131 HydrophobicContact CB-CG1 4.14Å; A124-I131 VanDerWaalsContact O-CD1 3.22Å; A124-I131 WeakPolarHBondContact O-CD1 3.08Å; S126-I131 WeakPolarHBondContact O-CD1 3.33Å; S127-I131 WeakPolarHBondContact O-CG1 3.21Å; S127-I131 PolarHBondContact O-N 3.18Å; S127-I131 VanDerWaalsContact O-N 3.12Å; E128-I131 PolarHBondContact O-N 3.29Å; D129-I131 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 3.02Å; I131-H133 PolarHBondContact O-N 3.46Å; I131-C134 PolarHBondContact O-N 2.9Å; I131-C134 VanDerWaalsContact O-N 3.15Å; I131-V135 HydrophobicContact CG2-CG2 4.11Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.44Å; I131-V135 PolarHBondContact O-N 3.23Å; I131-L165 HydrophobicContact CD1-CD1 4.15Å; I131-L165 HydrophobicContact CD1-CD2 4.22Å; I131-L165 HydrophobicContact CG2-CD1 4.17Å; I131-V168 HydrophobicContact CB-CG2 4.46Å; I131-V168 HydrophobicContact CG2-CG2 3.87Å
132G89.8Confident89.2Confident7 Ų745.7 Ų45.77%0.07226%0.255CS..Hα-helixtrans-56.9-46.3178.300000113E128 D129 K130 C134 V135 E136E128-G132 PolarHBondContact O-N 3.05Å; D129-G132 PolarHBondContact O-N 3.26Å; K130-G132 VanDerWaalsContact C-N 3.33Å; K130-G132 PolarHBondContact O-N 2.89Å; G132-C134 VanDerWaalsContact C-N 3.31Å; G132-C134 PolarHBondContact O-N 3.05Å; G132-V135 PolarHBondContact O-N 2.95Å; G132-E136 VanDerWaalsContact O-CB 3.3Å; G132-E136 WeakPolarHBondContact O-CB 3.44Å; G132-E136 PolarHBondContact O-N 2.9Å
133H92.5Very high89Confident114 Ų11446 Ų4653%0.52826%0.257SS..Hα-helixtrans-62.3-38.6176.7-73.789.3000112.4C94 D129 K130 I131 L137C94-H133 HydrophobicContact CB-CB 4.46Å; D129-H133 PolarHBondContact O-N 3.43Å; D129-H133 PolarHBondContact O-ND1 2.95Å; K130-H133 PolarHBondContact O-N 3.38Å; I131-H133 PolarHBondContact O-N 3.46Å; H133-L137 VanDerWaalsContact O-CB 3.28Å; H133-L137 WeakPolarHBondContact O-CB 3.24Å; H133-L137 PolarHBondContact O-N 3.15Å
134C92.5Very high88.8Confident1 Ų147.4 Ų47.41%0.00726%0.264CS..Hα-helixtrans-71.8-40.8178.7-77.70000111.1C94 K130 I131 G132 L137 L138C94-C134 WeakPolarHBondContact CA-SG 3.3Å; C94-C134 HydrophobicContact CB-CB 4.4Å; C94-C134 WeakPolarHBondContact CB-SG 3.3Å; C94-C134 PolarHBondContact N-SG 2.95Å; C94-C134 VanDerWaalsContact N-SG 3.41Å; C94-C134 VanDerWaalsContact SG-CA 3.5Å; C94-C134 WeakPolarHBondContact SG-CB 3.17Å; C94-C134 PolarHBondContact SG-N 2.84Å; C94-C134 CovalentContact SG-SG 2.07Å; C94-C134 PolarHBondContact SG-SG 3.25Å; K130-C134 PolarHBondContact O-N 3.49Å; K130-C134 VanDerWaalsContact O-N 3.15Å; I131-C134 PolarHBondContact O-N 2.9Å; I131-C134 VanDerWaalsContact O-N 3.15Å; G132-C134 VanDerWaalsContact C-N 3.31Å; G132-C134 PolarHBondContact O-N 3.05Å; C134-L137 PolarHBondContact O-N 3.4Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.45Å; C134-L138 PolarHBondContact O-N 3.2Å
135V93.2Very high88.8Confident0 Ų047.3 Ų47.30%026%0.262CS..Hα-helixtrans-60.7-49173.2166.90000110.6L118 S121 I131 G132 L137 L138 L139 V168 L171 L172L118-V135 HydrophobicContact CD1-CB 4.49Å; L118-V135 HydrophobicContact CD1-CG1 4.14Å; L118-V135 HydrophobicContact CD1-CG2 4.42Å; S121-V135 VanDerWaalsContact OG-CG2 3.3Å; S121-V135 WeakPolarHBondContact OG-CG2 3.47Å; I131-V135 HydrophobicContact CG2-CG2 4.11Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.44Å; I131-V135 PolarHBondContact O-N 3.23Å; G132-V135 PolarHBondContact O-N 2.95Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.25Å; V135-L138 PolarHBondContact O-N 3.37Å; V135-L139 HydrophobicContact CG1-CD1 3.63Å; V135-L139 HydrophobicContact CG1-CG 4.24Å; V135-L139 WeakPolarHBondContact O-CB 3.27Å; V135-L139 VanDerWaalsContact O-CG 3.27Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 3.17Å; V135-V168 HydrophobicContact CG1-CG1 4.28Å; V135-V168 HydrophobicContact CG2-CG1 4.02Å; V135-L171 HydrophobicContact CG1-CB 4.46Å; V135-L172 HydrophobicContact CG1-CD2 4.25Å
136E91.8Very high89.2Confident77 Ų7744.4 Ų44.436%0.3624%0.238SC..Hα-helixtrans-60-41.2177.7-175.9-176.8-165.900111.9G132 S140 L171G132-E136 VanDerWaalsContact O-CB 3.3Å; G132-E136 WeakPolarHBondContact O-CB 3.44Å; G132-E136 PolarHBondContact O-N 2.9Å; E136-S140 WeakPolarHBondContact O-CB 3.45Å; E136-S140 PolarHBondContact O-N 3.01Å; E136-L171 HydrophobicContact CB-CD1 4.37Å
137L91.4Very high89.2Confident12 Ų1245.4 Ų45.46%0.06324%0.239CC..Hα-helixtrans-61.8-46175.3178.264000111.4A97 R98 L101 H133 C134 V135 S140 R141A97-L137 HydrophobicContact CB-CD2 4.2Å; R98-L137 HydrophobicContact CB-CD2 3.88Å; R98-L137 HydrophobicContact CG-CD1 4.46Å; R98-L137 HydrophobicContact CG-CD2 4.45Å; L101-L137 HydrophobicContact CD1-CD1 4.32Å; L101-L137 HydrophobicContact CD1-CD2 3.84Å; L101-L137 HydrophobicContact CD1-CG 3.72Å; H133-L137 VanDerWaalsContact O-CB 3.28Å; H133-L137 WeakPolarHBondContact O-CB 3.24Å; H133-L137 PolarHBondContact O-N 3.15Å; C134-L137 PolarHBondContact O-N 3.4Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.25Å; L137-S140 PolarHBondContact O-N 3.38Å; L137-S140 PolarHBondContact O-OG 3.42Å; L137-R141 PolarHBondContact O-N 2.99Å
138L91.2Very high89.2Confident0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-65.2-46.2178.7-69.4170.9000111.8L85 V89 L101 A107 V117 L118 C134 V135 S140 R141 A143L85-L138 HydrophobicContact CD2-CD2 4.32Å; V89-L138 HydrophobicContact CG1-CD1 4.15Å; L101-L138 HydrophobicContact CD1-CD2 4.26Å; A107-L138 HydrophobicContact CB-CD2 4.08Å; V117-L138 HydrophobicContact CB-CD2 4.46Å; V117-L138 HydrophobicContact CG1-CD1 3.91Å; V117-L138 HydrophobicContact CG1-CD2 3.65Å; V117-L138 HydrophobicContact CG1-CG 4.45Å; L118-L138 HydrophobicContact CD1-CB 3.94Å; L118-L138 HydrophobicContact CD1-CD1 3.99Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.45Å; C134-L138 PolarHBondContact O-N 3.2Å; V135-L138 PolarHBondContact O-N 3.37Å; L138-S140 PolarHBondContact O-N 3.35Å; L138-R141 CarbonylContact O-C 3.53Å; L138-R141 WeakPolarHBondContact O-CA 3.22Å; L138-R141 PolarHBondContact O-N 3.13Å; L138-A143 HydrophobicContact CB-CB 4.08Å; L138-A143 WeakPolarHBondContact O-CB 3.29Å; L138-A143 PolarHBondContact O-N 2.89Å
139L88.4Confident89.1Confident10 Ų1042.2 Ų42.25%0.05222%0.22CC..Hα-helixtrans-59.2-37.2177-69170.2000111.4L118 V135 R141 S142 P145 L171 L172 H175L118-L139 HydrophobicContact CD1-CD2 4.4Å; L118-L139 HydrophobicContact CD1-CG 4.33Å; L118-L139 HydrophobicContact CD2-CD2 3.91Å; V135-L139 HydrophobicContact CG1-CD1 3.63Å; V135-L139 HydrophobicContact CG1-CG 4.24Å; V135-L139 WeakPolarHBondContact O-CB 3.27Å; V135-L139 VanDerWaalsContact O-CG 3.27Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 3.17Å; L139-R141 PolarHBondContact O-N 3.32Å; L139-S142 PolarHBondContact O-N 3.37Å; L139-P145 HydrophobicContact CD2-CB 4.11Å; L139-P145 HydrophobicContact CD2-CG 4.4Å; L139-L171 HydrophobicContact CD1-CB 4.47Å; L139-L172 HydrophobicContact CD1-CD2 4.32Å; L139-L172 HydrophobicContact CD2-CD2 4.42Å; L139-H175 HydrophobicContact CD1-CB 4.01Å; L139-H175 HydrophobicContact CD2-CB 4.06Å; L139-H175 HydrophobicContact CG-CB 4.43Å
140S89.1Confident89Confident34 Ų3445.8 Ų45.824%0.23823%0.228CC..Hα-helixtrans-67.7-19.317578.40000115.4E136 L137 L138 S142 R385E136-S140 WeakPolarHBondContact O-CB 3.45Å; E136-S140 PolarHBondContact O-N 3.01Å; L137-S140 PolarHBondContact O-N 3.38Å; L137-S140 PolarHBondContact O-OG 3.42Å; L138-S140 PolarHBondContact O-N 3.35Å; S140-S142 VanDerWaalsContact C-N 3.25Å; S140-R385 VanDerWaalsContact CB-NH2 3.32Å; S140-R385 PolarHBondContact OG-NH1 3.34Å
141R84.6Confident88.6Confident92 Ų9249.1 Ų49.135%0.34724%0.237SC..THydrogen-bonded Turntrans-96.527.9172.3-60.4-60.1-178.396.61.7111.2L101 D102 A107 L137 L138 L139 A143L101-R141 HydrophobicContact CD1-CG 4.21Å; L101-R141 HydrophobicContact CD2-CG 4.4Å; L101-R141 PolarHBondContact O-NH1 3.38Å; D102-R141 IonicContact OD1-CZ 3.54Å; D102-R141 IonicContact OD1-NH1 2.6Å; D102-R141 IonicContact OD1-NH2 3.23Å; D102-R141 PolarHBondContact OD1-NH2 3.33Å; A107-R141 HydrophobicContact CB-CB 3.98Å; L137-R141 PolarHBondContact O-N 2.99Å; L138-R141 CarbonylContact O-C 3.53Å; L138-R141 WeakPolarHBondContact O-CA 3.22Å; L138-R141 PolarHBondContact O-N 3.13Å; L139-R141 PolarHBondContact O-N 3.32Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.48Å
142S81Confident88.4Confident95 Ų9550.8 Ų50.866%0.66425%0.249SC*.THydrogen-bonded Turntrans58.938.2176.9-52.90000113.4N108 L139 S140N108-S142 PolarHBondContact ND2-O 3.01Å; N108-S142 PolarHBondContact OD1-O 2.96Å; L139-S142 PolarHBondContact O-N 3.37Å; S140-S142 VanDerWaalsContact C-N 3.25Å
143A86Confident88.4Confident6 Ų654.1 Ų54.15%0.0526%0.262CS..  trans-69.8126.7167.900000110A107 N108 L118 L138 R141 P145A107-A143 HydrophobicContact CB-CB 4.38Å; N108-A143 VanDerWaalsContact OD1-CA 3.31Å; N108-A143 WeakPolarHBondContact OD1-CA 3.34Å; L118-A143 HydrophobicContact CD2-CB 4.42Å; L138-A143 HydrophobicContact CB-CB 4.08Å; L138-A143 WeakPolarHBondContact O-CB 3.29Å; L138-A143 PolarHBondContact O-N 2.89Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.48Å; A143-P145 WeakPolarHBondContact O-CD 3.27Å
144D85.6Confident88.4Confident70 Ų7050 Ų5037%0.37424%0.244SC..  trans-75.7116.6179.2-178-1.6000111.4N108 N146 M147N108-D144 PolarHBondContact OD1-N 3.28Å; D144-N146 VanDerWaalsContact C-N 3.29Å; D144-N146 PolarHBondContact O-N 2.9Å; D144-N146 WeakPolarHBondContact OD1-CB 3.33Å; D144-N146 PolarHBondContact OD1-N 3.13Å; D144-M147 HydrophobicContact CB-CG 3.87Å
145P89.3Confident88.5Confident9 Ų950.1 Ų50.16%0.05825%0.245CC..THydrogen-bonded Turntrans-75.1-14.6179.232.3-35.8000114.4L118 L139 A143 L172 A177L118-P145 HydrophobicContact CD2-CB 4.19Å; L139-P145 HydrophobicContact CD2-CB 4.11Å; L139-P145 HydrophobicContact CD2-CG 4.4Å; A143-P145 WeakPolarHBondContact O-CD 3.27Å; P145-L172 HydrophobicContact CB-CD2 3.98Å; P145-A177 HydrophobicContact CB-CB 4.03Å; P145-A177 HydrophobicContact CG-CB 4.36Å
146N88.8Confident88.4Confident47 Ų4750.1 Ų50.125%0.25125%0.245SC..THydrogen-bonded Turntrans-92.6-0.1-175.1-65.3-49.1000113.5D144 V148 G176 A177 E178D144-N146 VanDerWaalsContact C-N 3.29Å; D144-N146 PolarHBondContact O-N 2.9Å; D144-N146 WeakPolarHBondContact OD1-CB 3.33Å; D144-N146 PolarHBondContact OD1-N 3.13Å; N146-V148 PolarHBondContact O-N 2.78Å; N146-G176 PolarHBondContact ND2-O 3.35Å; N146-A177 WeakPolarHBondContact OD1-CA 2.93Å; N146-E178 PolarHBondContact OD1-N 3.2Å
147M88.4Confident88.7Confident66 Ų6646.5 Ų46.533%0.32523%0.228SC..  trans-58.8140.6173.4-69-61.6-64.500111.1T116 M119 D144T116-M147 HydrophobicContact CG2-CB 3.74Å; T116-M147 HydrophobicContact CG2-CG 4.13Å; M119-M147 VanDerWaalsContact CE-C 3.5Å; M119-M147 HydrophobicContact CE-CB 4.29Å; M119-M147 WeakPolarHBondContact CE-O 3.3Å; D144-M147 HydrophobicContact CB-CG 3.87Å
148V88.8Confident88.9Confident40 Ų4046 Ų4624%0.24223%0.225CC..BIsolated β-bridgetrans-115.4140.8179-69.30000110.7C114 N146 M154 T155C114-V148 WeakPolarHBondContact CB-O 2.83Å; N146-V148 PolarHBondContact O-N 2.78Å; V148-M154 WeakPolarHBondContact CA-O 3.31Å; V148-T155 HydrophobicContact CG1-CG2 3.67Å
149D87.1Confident89Confident7 Ų746.1 Ų46.14%0.03723%0.226CC..  trans-70.4147.917592.6-86.4000110.4W115 M119 R151 S152 Q153 M154W115-D149 HydrophobicContact CE3-CB 4.11Å; W115-D149 HydrophobicContact CZ3-CB 4.44Å; M119-D149 HydrophobicContact CE-CB 4.35Å; M119-D149 HydrophobicContact SD-CB 4.05Å; D149-R151 VanDerWaalsContact C-N 3.32Å; D149-R151 PolarHBondContact O-N 3.43Å; D149-R151 WeakPolarHBondContact OD2-CA 3.42Å; D149-R151 WeakPolarHBondContact OD2-CB 3.35Å; D149-R151 PolarHBondContact OD2-N 2.94Å; D149-S152 WeakPolarHBondContact OD1-CB 3.36Å; D149-S152 PolarHBondContact OD1-N 3.06Å; D149-S152 PolarHBondContact OD1-OG 3.43Å; D149-S152 PolarHBondContact OD2-N 3.21Å; D149-S152 PolarHBondContact OD2-OG 3.08Å; D149-Q153 WeakPolarHBondContact O-CA 3.37Å; D149-Q153 PolarHBondContact O-N 3.18Å; D149-Q153 PolarHBondContact O-NE2 2.96Å; D149-Q153 PolarHBondContact OD1-N 3.23Å; D149-M154 PolarHBondContact N-O 3.32Å; D149-M154 VanDerWaalsContact N-O 3.07Å; D149-M154 WeakPolarHBondContact OD1-CB 3.41Å; D149-M154 PolarHBondContact OD1-N 3Å
150R86.6Confident89.3Confident156 Ų15645.6 Ų45.659%0.58922%0.223SC*.THydrogen-bonded Turntrans-67.4-32.4-175.1-174.1179-67.2-155.70112.9A112 D113 C114A112-R150 PolarHBondContact O-NE 3.42Å; A112-R150 VanDerWaalsContact O-NE 3.16Å; A112-R150 PolarHBondContact O-NH2 3.48Å; D113-R150 WeakPolarHBondContact O-CB 3.03Å; D113-R150 PolarHBondContact O-N 3.21Å; C114-R150 HydrophobicContact CB-CB 4.18Å
151R83.8Confident89.7Confident185 Ų18544 Ų4470%0.69821%0.212SC*.THydrogen-bonded Turntrans-83.2-52.9-169.4-60.6-174.4-175.2-177.63.6111.4D113 D149D113-R151 VanDerWaalsContact CG-NE 3.35Å; D113-R151 IonicContact OD1-CZ 2.72Å; D113-R151 IonicContact OD1-NE 3.66Å; D113-R151 PolarHBondContact OD1-NE 3.32Å; D113-R151 IonicContact OD1-NH2 3.88Å; D113-R151 PolarHBondContact OD1-NH2 3.32Å; D113-R151 IonicContact OD2-CZ 3.44Å; D113-R151 IonicContact OD2-NE 3.66Å; D113-R151 IonicContact OD2-NH2 3.14Å; D113-R151 PolarHBondContact OD2-NH2 3.21Å; D149-R151 VanDerWaalsContact C-N 3.32Å; D149-R151 PolarHBondContact O-N 3.43Å; D149-R151 WeakPolarHBondContact OD2-CA 3.42Å; D149-R151 WeakPolarHBondContact OD2-CB 3.35Å; D149-R151 PolarHBondContact OD2-N 2.94Å
152S86.1Confident90.2Very high38 Ų3842.5 Ų42.527%0.26621%0.206SC..THydrogen-bonded Turntrans-103.3-12-176.941.50000114.3D149 M154 D183 S184D149-S152 WeakPolarHBondContact OD1-CB 3.36Å; D149-S152 PolarHBondContact OD1-N 3.06Å; D149-S152 PolarHBondContact OD1-OG 3.43Å; D149-S152 PolarHBondContact OD2-N 3.21Å; D149-S152 PolarHBondContact OD2-OG 3.08Å; S152-M154 PolarHBondContact O-N 3.45Å; S152-M154 WeakPolarHBondContact OG-CG 3.42Å; S152-D183 WeakPolarHBondContact O-CB 2.99Å; S152-S184 WeakPolarHBondContact O-CB 3.48Å; S152-S184 PolarHBondContact O-N 3.46Å; S152-S184 PolarHBondContact O-OG 3.45Å
153Q91Very high90.7Very high77 Ų7740.8 Ų40.836%0.3619%0.19SC..  trans58.930.4-171.4-57.2-73.3-70.900112.7D149 D183D149-Q153 WeakPolarHBondContact O-CA 3.37Å; D149-Q153 PolarHBondContact O-N 3.18Å; D149-Q153 PolarHBondContact O-NE2 2.96Å; D149-Q153 PolarHBondContact OD1-N 3.23Å; Q153-D183 WeakPolarHBondContact O-CA 3.36Å
154M92.3Very high90.9Very high28 Ų2841.6 Ų41.614%0.13820%0.198CC..  trans-78.5138.3174.9-69.2-172.177.100110.6M119 V148 D149 S152 M158 L159 D183 T192M119-M154 WeakPolarHBondContact CE-O 3.19Å; V148-M154 WeakPolarHBondContact CA-O 3.31Å; D149-M154 PolarHBondContact N-O 3.32Å; D149-M154 VanDerWaalsContact N-O 3.07Å; D149-M154 WeakPolarHBondContact OD1-CB 3.41Å; D149-M154 PolarHBondContact OD1-N 3Å; S152-M154 PolarHBondContact O-N 3.45Å; S152-M154 WeakPolarHBondContact OG-CG 3.42Å; M154-M158 HydrophobicContact CB-SD 4.24Å; M154-M158 HydrophobicContact CE-CB 3.75Å; M154-M158 HydrophobicContact CG-SD 4.33Å; M154-L159 HydrophobicContact CE-CD2 3.96Å; M154-L159 HydrophobicContact SD-CD2 4.25Å; M154-D183 HydrophobicContact CG-CB 4.3Å; M154-T192 HydrophobicContact CE-CG2 4.34Å
155T93.4Very high91.2Very high4 Ų439.2 Ų39.23%0.02519%0.186CC..BIsolated β-bridgetrans-89.7164.2171.5640000111.3V148 L157 M158 L159 V181V148-T155 HydrophobicContact CG1-CG2 3.67Å; T155-L157 PolarHBondContact O-N 3.01Å; T155-M158 HydrophobicContact CG2-CE 4.36Å; T155-M158 PolarHBondContact O-N 3.49Å; T155-M158 VanDerWaalsContact O-N 3.11Å; T155-M158 WeakPolarHBondContact OG1-CG 3.18Å; T155-M158 PolarHBondContact OG1-N 3.5Å; T155-L159 PolarHBondContact O-N 3.42Å; T155-L159 VanDerWaalsContact O-N 3.15Å; T155-V181 HydrophobicContact CG2-CB 4.05Å; T155-V181 HydrophobicContact CG2-CG1 3.72Å; T155-V181 HydrophobicContact CG2-CG2 4.48Å
156C93.1Very high91.3Very high0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-54.4-37.3170.4-64.30000112L118 M119 M158 L159 A160 L172L118-C156 HydrophobicContact CD2-CB 4.36Å; L118-C156 HydrophobicContact CG-CB 4.45Å; M119-C156 VanDerWaalsContact CG-SG 3.53Å; C156-M158 PolarHBondContact O-N 3.11Å; C156-L159 PolarHBondContact O-N 3.26Å; C156-A160 WeakPolarHBondContact O-CB 3.26Å; C156-A160 PolarHBondContact O-N 3.48Å; C156-L172 HydrophobicContact CB-CD1 4.03Å; C156-L172 HydrophobicContact CB-CD2 4.07Å
157L96.1Very high91.4Very high1 Ų142.8 Ų42.81%0.00520%0.201CC..Hα-helixtrans-64.8-39.3178.5-170.667.1000112T155 A160 A161 I169 L172 V173 I179 A189 L205T155-L157 PolarHBondContact O-N 3.01Å; L157-A160 PolarHBondContact O-N 3.42Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.31Å; L157-I169 HydrophobicContact CD1-CB 4.31Å; L157-I169 HydrophobicContact CD1-CG1 4.25Å; L157-I169 HydrophobicContact CD1-CG2 4.04Å; L157-L172 HydrophobicContact CB-CD1 4.5Å; L157-L172 HydrophobicContact CD1-CB 4.21Å; L157-L172 HydrophobicContact CD1-CD1 4.32Å; L157-V173 HydrophobicContact CD1-CG2 3.92Å; L157-V173 HydrophobicContact CD2-CG2 4.26Å; L157-I179 HydrophobicContact CD2-CB 4.39Å; L157-I179 HydrophobicContact CD2-CG1 4.33Å; L157-A189 HydrophobicContact CB-CB 4.46Å; L157-A189 HydrophobicContact CD2-CB 3.89Å; L157-A189 HydrophobicContact CG-CB 3.77Å; L157-L205 HydrophobicContact CD1-CD2 4.37Å; L157-L205 HydrophobicContact CD2-CD2 4.4Å; L157-L205 HydrophobicContact CG-CD2 4.44Å
158M96Very high91.6Very high0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-66.7-38.5175.1-66.2168.9-172.100112.2M154 T155 C156 A161 R162 V181 D183 Y187 A189M154-M158 HydrophobicContact CB-SD 4.24Å; M154-M158 HydrophobicContact CE-CB 3.75Å; M154-M158 HydrophobicContact CG-SD 4.33Å; T155-M158 HydrophobicContact CG2-CE 4.36Å; T155-M158 PolarHBondContact O-N 3.49Å; T155-M158 VanDerWaalsContact O-N 3.11Å; T155-M158 WeakPolarHBondContact OG1-CG 3.18Å; T155-M158 PolarHBondContact OG1-N 3.5Å; C156-M158 PolarHBondContact O-N 3.11Å; M158-A161 PolarHBondContact O-N 3.04Å; M158-R162 WeakPolarHBondContact O-CB 3.28Å; M158-R162 PolarHBondContact O-N 2.6Å; M158-V181 HydrophobicContact CE-CB 4.21Å; M158-V181 HydrophobicContact CE-CG1 4.16Å; M158-V181 WeakPolarHBondContact CE-O 3.36Å; M158-D183 HydrophobicContact CE-CB 4.21Å; M158-D183 HydrophobicContact SD-CB 3.85Å; M158-Y187 VanDerWaalsContact CE-O 3.28Å; M158-Y187 WeakPolarHBondContact CE-O 3.41Å; M158-A189 HydrophobicContact CG-CB 4.22Å
159L94.5Very high91.8Very high3 Ų337.8 Ų37.82%0.01617%0.174CC..Hα-helixtrans-64.8-45.7175.2-64.3172.1000111.1W115 M119 C122 T123 M154 T155 C156 A161 R162 D163W115-L159 HydrophobicContact CH2-CD1 3.65Å; W115-L159 HydrophobicContact CH2-CD2 4.18Å; W115-L159 HydrophobicContact CZ2-CD1 4.31Å; W115-L159 HydrophobicContact CZ3-CD1 4.15Å; M119-L159 HydrophobicContact CB-CD1 3.81Å; M119-L159 HydrophobicContact CG-CD1 3.84Å; C122-L159 HydrophobicContact CB-CB 4.15Å; T123-L159 HydrophobicContact CG2-CD1 4.2Å; T123-L159 HydrophobicContact CG2-CD2 4.26Å; M154-L159 HydrophobicContact CE-CD2 3.96Å; M154-L159 HydrophobicContact SD-CD2 4.25Å; T155-L159 PolarHBondContact O-N 3.42Å; T155-L159 VanDerWaalsContact O-N 3.15Å; C156-L159 PolarHBondContact O-N 3.26Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.27Å; L159-R162 WeakPolarHBondContact O-CB 3.49Å; L159-R162 PolarHBondContact O-N 3.44Å; L159-D163 PolarHBondContact O-N 3.39Å
160A95.1Very high91.9Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-62-39.2175.100000112.2C156 L157 D163 G164 L165 V168 I169 L172C156-A160 WeakPolarHBondContact O-CB 3.26Å; C156-A160 PolarHBondContact O-N 3.48Å; L157-A160 PolarHBondContact O-N 3.42Å; A160-D163 PolarHBondContact O-N 3.22Å; A160-G164 PolarHBondContact O-N 2.78Å; A160-L165 HydrophobicContact CB-CB 4.35Å; A160-L165 PolarHBondContact O-N 3.07Å; A160-V168 HydrophobicContact CB-CB 4.27Å; A160-V168 HydrophobicContact CB-CG1 3.78Å; A160-I169 HydrophobicContact CB-CG1 3.92Å; A160-L172 HydrophobicContact CB-CD1 4.04Å
161A95.9Very high92Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-66.1-39.6175.900000113.1L157 M158 L159 D163 G164 I169 A189 A193 L205L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.31Å; M158-A161 PolarHBondContact O-N 3.04Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.27Å; A161-D163 VanDerWaalsContact C-N 3.31Å; A161-D163 PolarHBondContact O-N 2.97Å; A161-G164 PolarHBondContact O-N 3.44Å; A161-I169 HydrophobicContact CB-CD1 4.44Å; A161-A189 HydrophobicContact CB-CB 4.11Å; A161-A189 VanDerWaalsContact CB-O 3.28Å; A161-A189 WeakPolarHBondContact CB-O 3.3Å; A161-A193 HydrophobicContact CB-CB 4.15Å; A161-L205 HydrophobicContact CB-CD1 3.93Å
162R95Very high92.3Very high61 Ų6125.9 Ų25.923%0.2314%0.136CC..Hα-helixtrans-57.6-44.7174.6-176.3-170.971-171.3-4.5111.6M158 L159 T192 Y196 K198M158-R162 WeakPolarHBondContact O-CB 3.28Å; M158-R162 PolarHBondContact O-N 2.6Å; L159-R162 WeakPolarHBondContact O-CB 3.49Å; L159-R162 PolarHBondContact O-N 3.44Å; R162-T192 HydrophobicContact CB-CG2 3.78Å; R162-T192 HydrophobicContact CG-CG2 4.4Å; R162-Y196 HydrophobicContact CB-CD2 4.35Å; R162-Y196 HydrophobicContact CB-CE2 4.47Å; R162-Y196 HydrophobicContact CG-CD1 3.77Å; R162-Y196 HydrophobicContact CG-CD2 3.66Å; R162-Y196 HydrophobicContact CG-CE1 3.67Å; R162-Y196 HydrophobicContact CG-CE2 3.57Å; R162-Y196 HydrophobicContact CG-CG 3.75Å; R162-K198 WeakPolarHBondContact O-CE 3.11Å; R162-K198 WeakPolarHBondContact O-CG 3.38Å
163D91.6Very high92.4Very high59 Ų5925.5 Ų25.532%0.31613%0.132SC..Hα-helixtrans-88.6-17.6-173.5-62.7-20.4000111.8L159 A160 A161 L165 K198L159-D163 PolarHBondContact O-N 3.39Å; A160-D163 PolarHBondContact O-N 3.22Å; A161-D163 VanDerWaalsContact C-N 3.31Å; A161-D163 PolarHBondContact O-N 2.97Å; D163-L165 HydrophobicContact CB-CD1 4.37Å; D163-L165 HydrophobicContact CB-CG 4.14Å; D163-K198 WeakPolarHBondContact O-CE 3.34Å; D163-K198 PolarHBondContact O-NZ 2.83Å
164G90.6Very high92.3Very high23 Ų2324.9 Ų24.924%0.23714%0.136CC..THydrogen-bonded Turntrans91.922.8174.500000114A160 A161 C166A160-G164 PolarHBondContact O-N 2.78Å; A161-G164 PolarHBondContact O-N 3.44Å; G164-C166 PolarHBondContact O-N 3.4Å; G164-C166 PolarHBondContact O-SG 3.45Å
165L92.8Very high91.9Very high20 Ų2026.4 Ų26.411%0.10514%0.143CC..  trans-7978-172.9-55.6175.6000111.1C122 E128 I131 A160 D163 K167 V168 I169C122-L165 WeakPolarHBondContact O-CD1 3.05Å; E128-L165 HydrophobicContact CB-CD2 4.12Å; E128-L165 HydrophobicContact CG-CB 4.48Å; E128-L165 HydrophobicContact CG-CD2 4.07Å; E128-L165 VanDerWaalsContact OE1-CA 3.3Å; E128-L165 WeakPolarHBondContact OE1-CA 3.45Å; I131-L165 HydrophobicContact CD1-CD1 4.15Å; I131-L165 HydrophobicContact CD1-CD2 4.22Å; I131-L165 HydrophobicContact CG2-CD1 4.17Å; A160-L165 HydrophobicContact CB-CB 4.35Å; A160-L165 PolarHBondContact O-N 3.07Å; D163-L165 HydrophobicContact CB-CD1 4.37Å; D163-L165 HydrophobicContact CB-CG 4.14Å; L165-K167 VanDerWaalsContact C-N 3.35Å; L165-K167 PolarHBondContact O-N 2.89Å; L165-V168 HydrophobicContact CB-CB 3.72Å; L165-V168 HydrophobicContact CB-CG2 3.83Å; L165-V168 HydrophobicContact CD1-CB 4.47Å; L165-V168 HydrophobicContact CD1-CG2 4.17Å; L165-V168 PolarHBondContact O-N 2.88Å; L165-V168 VanDerWaalsContact O-N 3.13Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.24Å; L165-I169 PolarHBondContact O-N 3.14Å
166C91.2Very high91.3Very high28 Ų2828.5 Ų28.519%0.18917%0.165CC..Hα-helixtrans-57.1-39-176.4-63.50000114.4E128 G164 N170E128-C166 PolarHBondContact OE1-N 3.43Å; G164-C166 PolarHBondContact O-N 3.4Å; G164-C166 PolarHBondContact O-SG 3.45Å; C166-N170 PolarHBondContact O-N 2.93Å; C166-N170 VanDerWaalsContact O-N 3.12Å
167K90.9Very high91.2Very high103 Ų10328.9 Ų28.945%0.44817%0.168SC..Hα-helixtrans-66.8-41.4175.3-64-176.1-174.3-176.30111E128 D129 L165 N170 L171E128-K167 HydrophobicContact CG-CB 4.09Å; E128-K167 HydrophobicContact CG-CD 4.31Å; E128-K167 HydrophobicContact CG-CG 4.35Å; E128-K167 WeakPolarHBondContact OE1-CB 3.4Å; E128-K167 PolarHBondContact OE1-N 3.19Å; D129-K167 IonicContact OD1-NZ 3.28Å; D129-K167 PolarHBondContact OD1-NZ 2.95Å; L165-K167 VanDerWaalsContact C-N 3.35Å; L165-K167 PolarHBondContact O-N 2.89Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 2.71Å; K167-L171 WeakPolarHBondContact O-CG 3.31Å; K167-L171 PolarHBondContact O-N 3.26Å
168V92.6Very high90.8Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-67.5-41177.4177.20000110.8I131 V135 A160 L165 N170 L171 L172I131-V168 HydrophobicContact CB-CG2 4.46Å; I131-V168 HydrophobicContact CG2-CG2 3.87Å; V135-V168 HydrophobicContact CG1-CG1 4.28Å; V135-V168 HydrophobicContact CG2-CG1 4.02Å; A160-V168 HydrophobicContact CB-CB 4.27Å; A160-V168 HydrophobicContact CB-CG1 3.78Å; L165-V168 HydrophobicContact CB-CB 3.72Å; L165-V168 HydrophobicContact CB-CG2 3.83Å; L165-V168 HydrophobicContact CD1-CB 4.47Å; L165-V168 HydrophobicContact CD1-CG2 4.17Å; L165-V168 PolarHBondContact O-N 2.88Å; L165-V168 VanDerWaalsContact O-N 3.13Å; V168-N170 VanDerWaalsContact C-N 3.32Å; V168-N170 PolarHBondContact O-N 2.96Å; V168-L171 PolarHBondContact O-N 3.14Å; V168-L172 HydrophobicContact CG1-CD1 3.83Å; V168-L172 HydrophobicContact CG1-CG 4.18Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.19Å
169I92.4Very high90.6Very high0 Ų035.8 Ų35.80%020%0.201CC..Hα-helixtrans-56.1-47.3173.9-71.9166.8000110.7L157 A160 A161 L165 V173 A201 K204 L205 L208L157-I169 HydrophobicContact CD1-CB 4.31Å; L157-I169 HydrophobicContact CD1-CG1 4.25Å; L157-I169 HydrophobicContact CD1-CG2 4.04Å; A160-I169 HydrophobicContact CB-CG1 3.92Å; A161-I169 HydrophobicContact CB-CD1 4.44Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.24Å; L165-I169 PolarHBondContact O-N 3.14Å; I169-V173 WeakPolarHBondContact O-CG2 3.43Å; I169-V173 PolarHBondContact O-N 3.38Å; I169-A201 HydrophobicContact CD1-CB 3.72Å; I169-K204 HydrophobicContact CG2-CG 4.3Å; I169-L205 HydrophobicContact CD1-CG 4.47Å; I169-L205 HydrophobicContact CG2-CD2 3.77Å; I169-L205 HydrophobicContact CG2-CG 4.25Å; I169-L208 HydrophobicContact CG2-CD1 3.73Å
170N89.5Confident90.5Very high60 Ų6038.7 Ų38.732%0.32122%0.217SC..Hα-helixtrans-58-50.6174.7-88-34.6000112.6C166 K167 V168 L172 V173 S174 K204C166-N170 PolarHBondContact O-N 2.93Å; C166-N170 VanDerWaalsContact O-N 3.12Å; K167-N170 WeakPolarHBondContact O-CB 3.48Å; K167-N170 PolarHBondContact O-N 2.71Å; V168-N170 VanDerWaalsContact C-N 3.32Å; V168-N170 PolarHBondContact O-N 2.96Å; N170-L172 PolarHBondContact O-N 2.71Å; N170-V173 PolarHBondContact O-N 3.15Å; N170-S174 WeakPolarHBondContact O-CB 3.42Å; N170-S174 PolarHBondContact O-N 3.31Å; N170-S174 PolarHBondContact O-OG 2.93Å; N170-K204 VanDerWaalsContact ND2-CE 3.25Å; N170-K204 WeakPolarHBondContact ND2-CE 3.18Å; N170-K204 WeakPolarHBondContact OD1-CE 3.46Å; N170-K204 PolarHBondContact OD1-NZ 3.15Å; N170-K204 VanDerWaalsContact OD1-NZ 3.11Å
171L89.3Confident90.4Very high39 Ų3940.3 Ų40.320%0.20423%0.226CC..Hα-helixtrans-59.7-47.4-177.8-73.8169.8000111V135 E136 L139 K167 V168 V173 S174 H175V135-L171 HydrophobicContact CG1-CB 4.46Å; E136-L171 HydrophobicContact CB-CD1 4.37Å; L139-L171 HydrophobicContact CD1-CB 4.47Å; K167-L171 WeakPolarHBondContact O-CG 3.31Å; K167-L171 PolarHBondContact O-N 3.26Å; V168-L171 PolarHBondContact O-N 3.14Å; L171-V173 PolarHBondContact O-N 3.07Å; L171-S174 WeakPolarHBondContact CA-OG 3.14Å; L171-S174 PolarHBondContact O-N 3.33Å; L171-S174 PolarHBondContact O-OG 3.3Å; L171-H175 PolarHBondContact O-CD2 2.69Å; L171-H175 PolarHBondContact O-N 3.43Å; L171-H175 VanDerWaalsContact O-N 3.1Å
172L90.3Very high90.3Very high0 Ų044.7 Ų44.70%025%0.247CC..Hα-helixtrans-59.2-48.3178.1-70.3171.7000111.4L118 V135 L139 P145 C156 L157 A160 V168 N170 S174 H175 G176 A177L118-L172 HydrophobicContact CD2-CD2 4.06Å; V135-L172 HydrophobicContact CG1-CD2 4.25Å; L139-L172 HydrophobicContact CD1-CD2 4.32Å; L139-L172 HydrophobicContact CD2-CD2 4.42Å; P145-L172 HydrophobicContact CB-CD2 3.98Å; C156-L172 HydrophobicContact CB-CD1 4.03Å; C156-L172 HydrophobicContact CB-CD2 4.07Å; L157-L172 HydrophobicContact CB-CD1 4.5Å; L157-L172 HydrophobicContact CD1-CB 4.21Å; L157-L172 HydrophobicContact CD1-CD1 4.32Å; A160-L172 HydrophobicContact CB-CD1 4.04Å; V168-L172 HydrophobicContact CG1-CD1 3.83Å; V168-L172 HydrophobicContact CG1-CG 4.18Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.19Å; N170-L172 PolarHBondContact O-N 2.71Å; L172-S174 PolarHBondContact O-N 3.14Å; L172-H175 CarbonylContact O-C 3.47Å; L172-H175 PolarHBondContact O-N 2.7Å; L172-H175 VanDerWaalsContact O-N 3.14Å; L172-G176 PolarHBondContact O-N 3.1Å; L172-A177 HydrophobicContact CB-CB 3.87Å; L172-A177 WeakPolarHBondContact O-CB 3.26Å; L172-A177 PolarHBondContact O-N 3.36Å
173V87.4Confident90.2Very high30 Ų3042.6 Ų42.618%0.18224%0.24CC..Hα-helixtrans-65.9-39.2179.8173.50000111.9L157 I169 N170 L171 H175 G176 I179 L208L157-V173 HydrophobicContact CD1-CG2 3.92Å; L157-V173 HydrophobicContact CD2-CG2 4.26Å; I169-V173 WeakPolarHBondContact O-CG2 3.43Å; I169-V173 PolarHBondContact O-N 3.38Å; N170-V173 PolarHBondContact O-N 3.15Å; L171-V173 PolarHBondContact O-N 3.07Å; V173-H175 PolarHBondContact O-N 3.1Å; V173-G176 PolarHBondContact O-N 2.67Å; V173-I179 HydrophobicContact CG1-CD1 3.88Å; V173-I179 HydrophobicContact CG1-CG1 4.27Å; V173-I179 HydrophobicContact CG2-CD1 4.17Å; V173-I179 HydrophobicContact CG2-CG1 3.85Å; V173-L208 HydrophobicContact CB-CD1 4.17Å; V173-L208 HydrophobicContact CG1-CD1 4.33Å; V173-L208 HydrophobicContact CG1-CD2 4.27Å; V173-L208 HydrophobicContact CG2-CD1 3.98Å
174S88.1Confident90.3Very high64 Ų6441.8 Ų41.845%0.44824%0.239SC..Hα-helixtrans-64-22.2174.864.40000113.7N170 L171 L172 Q377N170-S174 WeakPolarHBondContact O-CB 3.42Å; N170-S174 PolarHBondContact O-N 3.31Å; N170-S174 PolarHBondContact O-OG 2.93Å; L171-S174 WeakPolarHBondContact CA-OG 3.14Å; L171-S174 PolarHBondContact O-N 3.33Å; L171-S174 PolarHBondContact O-OG 3.3Å; L172-S174 PolarHBondContact O-N 3.14Å; S174-Q377 PolarHBondContact O-NE2 3.46Å
175H84.1Confident90.4Very high60 Ų6047.2 Ų47.228%0.27826%0.256SS..THydrogen-bonded Turntrans-9919.9175.2-80.7-85.2000112.7L139 L171 L172 V173L139-H175 HydrophobicContact CD1-CB 4.01Å; L139-H175 HydrophobicContact CD2-CB 4.06Å; L139-H175 HydrophobicContact CG-CB 4.43Å; L171-H175 PolarHBondContact O-CD2 2.69Å; L171-H175 PolarHBondContact O-N 3.43Å; L171-H175 VanDerWaalsContact O-N 3.1Å; L172-H175 CarbonylContact O-C 3.47Å; L172-H175 PolarHBondContact O-N 2.7Å; L172-H175 VanDerWaalsContact O-N 3.14Å; V173-H175 PolarHBondContact O-N 3.1Å
176G81.6Confident90.4Very high47 Ų4746.4 Ų46.449%0.48525%0.252SS..THydrogen-bonded Turntrans8621.1171.600000115.1N146 L172 V173 E178N146-G176 PolarHBondContact ND2-O 3.35Å; L172-G176 PolarHBondContact O-N 3.1Å; V173-G176 PolarHBondContact O-N 2.67Å; G176-E178 PolarHBondContact O-N 3.23Å
177A89.7Confident90.6Very high8 Ų846.5 Ų46.57%0.06625%0.249CC..  trans-64.9126.7171.900000111.4P145 N146 L172 I179P145-A177 HydrophobicContact CB-CB 4.03Å; P145-A177 HydrophobicContact CG-CB 4.36Å; N146-A177 WeakPolarHBondContact OD1-CA 2.93Å; L172-A177 HydrophobicContact CB-CB 3.87Å; L172-A177 WeakPolarHBondContact O-CB 3.26Å; L172-A177 PolarHBondContact O-N 3.36Å; A177-I179 PolarHBondContact O-N 3.41Å
178E88.6Confident90.9Very high120 Ų12041.6 Ų41.656%0.56123%0.228SC*.  trans-71.4118.1176.8-68.6-178.3-159.800111N146 G176 V181N146-E178 PolarHBondContact OD1-N 3.2Å; G176-E178 PolarHBondContact O-N 3.23Å; E178-V181 HydrophobicContact CB-CG2 3.39Å; E178-V181 HydrophobicContact CG-CG2 4.37Å; E178-V181 VanDerWaalsContact OE2-CG2 3.3Å; E178-V181 WeakPolarHBondContact OE2-CG2 3.3Å
179I92.2Very high91.1Very high26 Ų2641.6 Ų41.613%0.13323%0.228CC..THydrogen-bonded Turntrans-73.2-33.9-170.8-60.5175.2000112.8L157 V173 A177 L208 A210L157-I179 HydrophobicContact CD2-CB 4.39Å; L157-I179 HydrophobicContact CD2-CG1 4.33Å; V173-I179 HydrophobicContact CG1-CD1 3.88Å; V173-I179 HydrophobicContact CG1-CG1 4.27Å; V173-I179 HydrophobicContact CG2-CD1 4.17Å; V173-I179 HydrophobicContact CG2-CG1 3.85Å; A177-I179 PolarHBondContact O-N 3.41Å; I179-L208 HydrophobicContact CD1-CB 3.92Å; I179-L208 WeakPolarHBondContact CD1-O 3.33Å; I179-A210 HydrophobicContact CG2-CB 3.52Å
180N91.9Very high91.2Very high65 Ų6541.6 Ų41.635%0.34823%0.228SC..THydrogen-bonded Turntrans-10412.3-167.5-68.7-32.8000113.7D211 I214N180-D211 PolarHBondContact OD1-N 3.33Å; N180-I214 HydrophobicContact CB-CD1 3.63Å
181V93.1Very high91.5Very high33 Ų3338.8 Ų38.820%0.221%0.213CC..  trans-58.4143.8173.3179.40000109.5T155 M158 E178 T188T155-V181 HydrophobicContact CG2-CB 4.05Å; T155-V181 HydrophobicContact CG2-CG1 3.72Å; T155-V181 HydrophobicContact CG2-CG2 4.48Å; M158-V181 HydrophobicContact CE-CB 4.21Å; M158-V181 HydrophobicContact CE-CG1 4.16Å; M158-V181 WeakPolarHBondContact CE-O 3.36Å; E178-V181 HydrophobicContact CB-CG2 3.39Å; E178-V181 HydrophobicContact CG-CG2 4.37Å; E178-V181 VanDerWaalsContact OE2-CG2 3.3Å; E178-V181 WeakPolarHBondContact OE2-CG2 3.3Å; V181-T188 WeakPolarHBondContact O-CA 3.34Å
182Q93.8Very high91.9Very high92 Ų9237 Ų3743%0.4320%0.204SC..  trans-111.2135.9177.6-69.9-170.4-73.500111.2G186 Y187 T188 I214 R215Q182-G186 PolarHBondContact NE2-O 2.93Å; Q182-Y187 WeakPolarHBondContact CA-O 3.12Å; Q182-T188 HydrophobicContact CG-CG2 3.81Å; Q182-I214 HydrophobicContact CG-CG2 3.95Å; Q182-R215 PolarHBondContact NE2-O 2.86Å
183D93.3Very high92.1Very high17 Ų1737 Ų379%0.09120%0.204CC..  trans-73.3-178.2173.384.6-14000111.9S152 Q153 M154 M158 K185 G186 Y187S152-D183 WeakPolarHBondContact O-CB 2.99Å; Q153-D183 WeakPolarHBondContact O-CA 3.36Å; M154-D183 HydrophobicContact CG-CB 4.3Å; M158-D183 HydrophobicContact CE-CB 4.21Å; M158-D183 HydrophobicContact SD-CB 3.85Å; D183-K185 PolarHBondContact O-N 2.98Å; D183-K185 VanDerWaalsContact OD1-C 3.26Å; D183-K185 VanDerWaalsContact OD1-CA 3.27Å; D183-K185 WeakPolarHBondContact OD1-CA 3.22Å; D183-K185 WeakPolarHBondContact OD1-CB 3.32Å; D183-K185 PolarHBondContact OD1-N 3.41Å; D183-G186 PolarHBondContact O-N 3.27Å; D183-G186 PolarHBondContact OD1-N 2.97Å; D183-Y187 PolarHBondContact N-O 3.42Å; D183-Y187 WeakPolarHBondContact OD1-CB 3.42Å; D183-Y187 PolarHBondContact OD1-N 2.91Å
184S93.6Very high92.5Very high43 Ų4335.6 Ų35.630%0.30120%0.195SC..THydrogen-bonded Turntrans-58.8-16.917861.90000114.3S152 K217S152-S184 WeakPolarHBondContact O-CB 3.48Å; S152-S184 PolarHBondContact O-N 3.46Å; S152-S184 PolarHBondContact O-OG 3.45Å; S184-K217 VanDerWaalsContact O-CD 3.29Å; S184-K217 WeakPolarHBondContact O-CD 3.14Å; S184-K217 WeakPolarHBondContact O-CE 3.45Å; S184-K217 PolarHBondContact O-NZ 3.11Å
185K92.9Very high92.8Very high137 Ų13735.4 Ų35.460%0.59619%0.187SC*.THydrogen-bonded Turntrans-106.21.8177.4-65176-176.51730112.5D183 Y187 K217D183-K185 PolarHBondContact O-N 2.98Å; D183-K185 VanDerWaalsContact OD1-C 3.26Å; D183-K185 VanDerWaalsContact OD1-CA 3.27Å; D183-K185 WeakPolarHBondContact OD1-CA 3.22Å; D183-K185 WeakPolarHBondContact OD1-CB 3.32Å; D183-K185 PolarHBondContact OD1-N 3.41Å; K185-Y187 HydrophobicContact CB-CD2 3.7Å; K185-Y187 HydrophobicContact CB-CE2 4.04Å; K185-K217 WeakPolarHBondContact O-CB 3.47Å; K185-K217 WeakPolarHBondContact O-CG 3.29Å; K185-K217 PolarHBondContact O-N 3.22Å
186G92.7Very high93.3Very high2 Ų238.1 Ų38.12%0.02120%0.196CC..SBendtrans82.811.7-178.200000114.1Q182 D183 T216Q182-G186 PolarHBondContact NE2-O 2.93Å; D183-G186 PolarHBondContact O-N 3.27Å; D183-G186 PolarHBondContact OD1-N 2.97Å; G186-T216 WeakPolarHBondContact O-CA 3.4Å
187Y95.9Very high93.7Very high30 Ų3036.9 Ų36.912%0.11818%0.183CC..  trans-78.7131.7176.4-77-108.7000110M158 Q182 D183 K185 Q195 T216 L225M158-Y187 VanDerWaalsContact CE-O 3.28Å; M158-Y187 WeakPolarHBondContact CE-O 3.41Å; Q182-Y187 WeakPolarHBondContact CA-O 3.12Å; D183-Y187 PolarHBondContact N-O 3.42Å; D183-Y187 WeakPolarHBondContact OD1-CB 3.42Å; D183-Y187 PolarHBondContact OD1-N 2.91Å; K185-Y187 HydrophobicContact CB-CD2 3.7Å; K185-Y187 HydrophobicContact CB-CE2 4.04Å; Y187-Q195 HydrophobicContact CE1-CB 4.32Å; Y187-T216 HydrophobicContact CD1-CG2 4.28Å; Y187-T216 HydrophobicContact CD2-CG2 3.81Å; Y187-T216 HydrophobicContact CE1-CG2 4.18Å; Y187-T216 HydrophobicContact CE2-CG2 3.69Å; Y187-T216 HydrophobicContact CG-CG2 4.1Å; Y187-L225 HydrophobicContact CD1-CD1 4.25Å; Y187-L225 HydrophobicContact CE1-CD1 3.7Å; Y187-L225 HydrophobicContact CE1-CD2 4.32Å
188T96.2Very high93.9Very high0 Ų040 Ų400%020%0.196CC..  trans-91170.1166.164.20000110.4V181 Q182 L190 S191 T192 I214V181-T188 WeakPolarHBondContact O-CA 3.34Å; Q182-T188 HydrophobicContact CG-CG2 3.81Å; T188-L190 PolarHBondContact O-N 2.91Å; T188-L190 PolarHBondContact OG1-N 3.34Å; T188-S191 PolarHBondContact O-N 3.47Å; T188-S191 PolarHBondContact OG1-N 3.07Å; T188-S191 PolarHBondContact OG1-OG 3.11Å; T188-T192 PolarHBondContact O-N 3.24Å; T188-T192 PolarHBondContact O-OG1 3.43Å; T188-I214 HydrophobicContact CG2-CB 4.06Å; T188-I214 HydrophobicContact CG2-CD1 4.04Å; T188-I214 HydrophobicContact CG2-CG2 3.58Å
189A96Very high94Very high1 Ų138 Ų381%0.00819%0.186CC..Hα-helixtrans-53.3-37.6172.700000112.3L157 M158 A161 T192 A193 L205L157-A189 HydrophobicContact CB-CB 4.46Å; L157-A189 HydrophobicContact CD2-CB 3.89Å; L157-A189 HydrophobicContact CG-CB 3.77Å; M158-A189 HydrophobicContact CG-CB 4.22Å; A161-A189 HydrophobicContact CB-CB 4.11Å; A161-A189 VanDerWaalsContact CB-O 3.28Å; A161-A189 WeakPolarHBondContact CB-O 3.3Å; A189-T192 PolarHBondContact O-N 3.25Å; A189-A193 PolarHBondContact O-N 2.76Å; A189-L205 HydrophobicContact CB-CD1 4.15Å; A189-L205 HydrophobicContact CB-CD2 4.11Å; A189-L205 WeakPolarHBondContact O-CD1 3.22Å
190L96Very high93.8Very high0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-64.3-50.6174.9-179.366.3000111.4T188 T192 A193 V194 V202 L205 L206 A210 K212 P222 L238T188-L190 PolarHBondContact O-N 2.91Å; T188-L190 PolarHBondContact OG1-N 3.34Å; L190-T192 VanDerWaalsContact C-N 3.25Å; L190-T192 PolarHBondContact O-N 3.39Å; L190-A193 PolarHBondContact O-N 3.22Å; L190-V194 VanDerWaalsContact O-CG2 3.24Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 2.93Å; L190-V202 HydrophobicContact CD1-CB 4.42Å; L190-V202 HydrophobicContact CD1-CG1 3.92Å; L190-V202 HydrophobicContact CD1-CG2 4.47Å; L190-L205 HydrophobicContact CD1-CB 4.21Å; L190-L206 HydrophobicContact CD1-CD2 4.12Å; L190-L206 HydrophobicContact CD1-CG 4.05Å; L190-L206 HydrophobicContact CD2-CD2 3.92Å; L190-A210 HydrophobicContact CB-CB 4.08Å; L190-A210 HydrophobicContact CD2-CB 4.19Å; L190-K212 HydrophobicContact CD2-CB 3.82Å; L190-P222 HydrophobicContact CD2-CB 4.36Å; L190-P222 HydrophobicContact CD2-CG 4.23Å; L190-P222 HydrophobicContact CG-CB 4.47Å; L190-L238 HydrophobicContact CD2-CD2 4.45Å
191S95.9Very high93.7Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-59.8-36.4177.6-56.70000112.3T188 V194 Q195T188-S191 PolarHBondContact O-N 3.47Å; T188-S191 PolarHBondContact OG1-N 3.07Å; T188-S191 PolarHBondContact OG1-OG 3.11Å; S191-V194 PolarHBondContact O-N 3.38Å; S191-Q195 WeakPolarHBondContact O-CB 3.42Å; S191-Q195 PolarHBondContact O-N 3.41Å
192T96Very high93.6Very high3 Ų338.2 Ų38.22%0.01818%0.182CC..Hα-helixtrans-66.3-49.7174.4-52.70000111.1M154 R162 T188 A189 L190 V194 Q195 Y196M154-T192 HydrophobicContact CE-CG2 4.34Å; R162-T192 HydrophobicContact CB-CG2 3.78Å; R162-T192 HydrophobicContact CG-CG2 4.4Å; T188-T192 PolarHBondContact O-N 3.24Å; T188-T192 PolarHBondContact O-OG1 3.43Å; A189-T192 PolarHBondContact O-N 3.25Å; L190-T192 VanDerWaalsContact C-N 3.25Å; L190-T192 PolarHBondContact O-N 3.39Å; T192-V194 PolarHBondContact O-N 2.77Å; T192-Q195 PolarHBondContact O-N 3.21Å; T192-Q195 VanDerWaalsContact O-N 3.14Å; T192-Y196 HydrophobicContact CG2-CD2 4Å; T192-Y196 HydrophobicContact CG2-CE2 4.08Å; T192-Y196 VanDerWaalsContact O-CD2 3.31Å; T192-Y196 WeakPolarHBondContact O-CD2 3.25Å; T192-Y196 PolarHBondContact O-N 3.34Å; T192-Y196 VanDerWaalsContact O-N 3.11Å
193A96.1Very high93.3Very high0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-56.7-39175.700000112.1A161 A189 L190 G197 K198 A201 V202 L205A161-A193 HydrophobicContact CB-CB 4.15Å; A189-A193 PolarHBondContact O-N 2.76Å; L190-A193 PolarHBondContact O-N 3.22Å; A193-G197 PolarHBondContact O-N 2.96Å; A193-G197 VanDerWaalsContact O-N 3.13Å; A193-K198 HydrophobicContact CB-CB 4.35Å; A193-K198 PolarHBondContact O-N 2.98Å; A193-A201 HydrophobicContact CB-CB 4.06Å; A193-V202 HydrophobicContact CB-CG2 3.69Å; A193-L205 HydrophobicContact CB-CD1 3.96Å
194V95.1Very high92.9Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-64.4-49.4175.4173.10000111.5L190 S191 T192 Y196 G197 V202 P222 L225 A226 H231 I234 L238L190-V194 VanDerWaalsContact O-CG2 3.24Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 2.93Å; S191-V194 PolarHBondContact O-N 3.38Å; T192-V194 PolarHBondContact O-N 2.77Å; V194-Y196 PolarHBondContact O-N 2.91Å; V194-G197 PolarHBondContact O-N 3.48Å; V194-V202 HydrophobicContact CG2-CG2 3.75Å; V194-P222 WeakPolarHBondContact CG1-O 3.2Å; V194-P222 HydrophobicContact CG2-CB 4.35Å; V194-L225 HydrophobicContact CG1-CB 3.98Å; V194-A226 HydrophobicContact CG1-CB 3.63Å; V194-H231 PolarHBondContact O-CD2 3.47Å; V194-H231 PolarHBondContact O-NE2 2.98Å; V194-I234 HydrophobicContact CB-CG2 4.28Å; V194-I234 HydrophobicContact CG1-CG2 4Å; V194-I234 HydrophobicContact CG2-CG2 3.75Å; V194-L238 HydrophobicContact CG2-CD1 3.8Å
195Q94.9Very high92.5Very high59 Ų5936.5 Ų36.528%0.27617%0.17SC..Hα-helixtrans-54.1-42.5179.6174.2176.319.100111.7Y187 S191 T192 G197 F229 H231Y187-Q195 HydrophobicContact CE1-CB 4.32Å; S191-Q195 WeakPolarHBondContact O-CB 3.42Å; S191-Q195 PolarHBondContact O-N 3.41Å; T192-Q195 PolarHBondContact O-N 3.21Å; T192-Q195 VanDerWaalsContact O-N 3.14Å; Q195-G197 VanDerWaalsContact C-N 3.34Å; Q195-F229 HydrophobicContact CB-CD2 4.32Å; Q195-F229 HydrophobicContact CB-CE2 4Å; Q195-F229 HydrophobicContact CG-CD2 4.3Å; Q195-F229 HydrophobicContact CG-CE1 4.32Å; Q195-F229 HydrophobicContact CG-CE2 3.73Å; Q195-F229 HydrophobicContact CG-CZ 3.76Å; Q195-H231 PolarHBondContact O-NE2 2.81Å
196Y93.8Very high92.1Very high117 Ų11731.8 Ų31.846%0.45915%0.151SC..THydrogen-bonded Turntrans-89.66.3-177.9-71.9-93.6000114.1R162 T192 V194 K198R162-Y196 HydrophobicContact CB-CD2 4.35Å; R162-Y196 HydrophobicContact CB-CE2 4.47Å; R162-Y196 HydrophobicContact CG-CD1 3.77Å; R162-Y196 HydrophobicContact CG-CD2 3.66Å; R162-Y196 HydrophobicContact CG-CE1 3.67Å; R162-Y196 HydrophobicContact CG-CE2 3.57Å; R162-Y196 HydrophobicContact CG-CG 3.75Å; T192-Y196 HydrophobicContact CG2-CD2 4Å; T192-Y196 HydrophobicContact CG2-CE2 4.08Å; T192-Y196 VanDerWaalsContact O-CD2 3.31Å; T192-Y196 WeakPolarHBondContact O-CD2 3.25Å; T192-Y196 PolarHBondContact O-N 3.34Å; T192-Y196 VanDerWaalsContact O-N 3.11Å; V194-Y196 PolarHBondContact O-N 2.91Å; Y196-K198 VanDerWaalsContact C-N 3.31Å; Y196-K198 PolarHBondContact O-N 2.64Å
197G90.8Very high91.8Very high22 Ų2238.5 Ų38.523%0.22718%0.182CC..THydrogen-bonded Turntrans69.823.7174.500000114.6A193 V194 Q195 E199 H231A193-G197 PolarHBondContact O-N 2.96Å; A193-G197 VanDerWaalsContact O-N 3.13Å; V194-G197 PolarHBondContact O-N 3.48Å; Q195-G197 VanDerWaalsContact C-N 3.34Å; G197-E199 PolarHBondContact O-N 2.87Å; G197-H231 WeakPolarHBondContact CA-CE1 3.44Å; G197-H231 WeakPolarHBondContact CA-NE2 3.3Å; G197-H231 PolarHBondContact N-NE2 3.39Å
198K93.9Very high91Very high74 Ų7439.4 Ų39.432%0.32219%0.189SC..  trans-85.577.2-175-57.5-59.8-177.6158.60111.1R162 D163 A193 Y196 Q200 A201 V202R162-K198 WeakPolarHBondContact O-CE 3.11Å; R162-K198 WeakPolarHBondContact O-CG 3.38Å; D163-K198 WeakPolarHBondContact O-CE 3.34Å; D163-K198 PolarHBondContact O-NZ 2.83Å; A193-K198 HydrophobicContact CB-CB 4.35Å; A193-K198 PolarHBondContact O-N 2.98Å; Y196-K198 VanDerWaalsContact C-N 3.31Å; Y196-K198 PolarHBondContact O-N 2.64Å; K198-Q200 PolarHBondContact O-N 2.98Å; K198-A201 HydrophobicContact CB-CB 3.85Å; K198-A201 PolarHBondContact O-N 3.38Å; K198-A201 VanDerWaalsContact O-N 3.11Å; K198-V202 WeakPolarHBondContact O-CG2 2.68Å; K198-V202 PolarHBondContact O-N 3.34Å
199E89.4Confident90.3Very high78 Ų7841.8 Ų41.836%0.36421%0.214SC..Hα-helixtrans-51.9-47-174.8-60.5-171.6175.700114.2G197 V202 L203 Q233 I234G197-E199 PolarHBondContact O-N 2.87Å; E199-V202 WeakPolarHBondContact O-CB 3.49Å; E199-V202 PolarHBondContact O-N 2.87Å; E199-L203 PolarHBondContact O-N 2.81Å; E199-Q233 WeakPolarHBondContact OE1-CB 3.46Å; E199-Q233 WeakPolarHBondContact OE1-CG 3.24Å; E199-I234 HydrophobicContact CB-CG1 4.42Å; E199-I234 HydrophobicContact CG-CD1 3.99Å; E199-I234 HydrophobicContact CG-CG1 3.69Å
200Q88.5Confident90Very high126 Ų12642.2 Ų42.259%0.58922%0.217SC*.Hα-helixtrans-66.1-39.5-179.3-62.9-58-36.100111.7K198 V202 L203 K204K198-Q200 PolarHBondContact O-N 2.98Å; Q200-V202 VanDerWaalsContact C-N 3.35Å; Q200-L203 PolarHBondContact O-N 3.21Å; Q200-K204 VanDerWaalsContact O-CB 3.24Å; Q200-K204 WeakPolarHBondContact O-CB 3.25Å; Q200-K204 PolarHBondContact O-N 2.92Å
201A90.9Very high89.6Confident1 Ų145 Ų451%0.00823%0.232CC..Hα-helixtrans-66.4-37.5174.700000111.5I169 A193 K198 K204 L205I169-A201 HydrophobicContact CD1-CB 3.72Å; A193-A201 HydrophobicContact CB-CB 4.06Å; K198-A201 HydrophobicContact CB-CB 3.85Å; K198-A201 PolarHBondContact O-N 3.38Å; K198-A201 VanDerWaalsContact O-N 3.11Å; A201-K204 PolarHBondContact O-N 2.8Å; A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 WeakPolarHBondContact O-CD1 3.46Å; A201-L205 VanDerWaalsContact O-CG 3.22Å; A201-L205 WeakPolarHBondContact O-CG 3.29Å; A201-L205 PolarHBondContact O-N 3.14Å
202V90.1Very high89.2Confident0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-60.6-52.2173.4169.70000111L190 A193 V194 K198 E199 Q200 K204 L205 L206 I234 I237 L238L190-V202 HydrophobicContact CD1-CB 4.42Å; L190-V202 HydrophobicContact CD1-CG1 3.92Å; L190-V202 HydrophobicContact CD1-CG2 4.47Å; A193-V202 HydrophobicContact CB-CG2 3.69Å; V194-V202 HydrophobicContact CG2-CG2 3.75Å; K198-V202 WeakPolarHBondContact O-CG2 2.68Å; K198-V202 PolarHBondContact O-N 3.34Å; E199-V202 WeakPolarHBondContact O-CB 3.49Å; E199-V202 PolarHBondContact O-N 2.87Å; Q200-V202 VanDerWaalsContact C-N 3.35Å; V202-K204 PolarHBondContact O-N 3.1Å; V202-L205 PolarHBondContact O-N 2.97Å; V202-L206 HydrophobicContact CG1-CD1 3.88Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.38Å; V202-L206 VanDerWaalsContact O-CG 3.25Å; V202-L206 WeakPolarHBondContact O-CG 3.49Å; V202-L206 PolarHBondContact O-N 3.04Å; V202-I234 HydrophobicContact CG1-CG2 4.24Å; V202-I234 HydrophobicContact CG2-CD1 4.26Å; V202-I234 HydrophobicContact CG2-CG2 4.12Å; V202-I237 HydrophobicContact CG1-CG2 4.41Å; V202-L238 HydrophobicContact CG1-CD2 4.35Å
203L86.8Confident88.8Confident74 Ų7451.9 Ų51.939%0.38727%0.27SS..Hα-helixtrans-57.1-41177.1-73.4172.3000111.2E199 Q200 L206 Q207 I237E199-L203 PolarHBondContact O-N 2.81Å; Q200-L203 PolarHBondContact O-N 3.21Å; L203-L206 PolarHBondContact O-N 3.38Å; L203-Q207 WeakPolarHBondContact O-CB 3.44Å; L203-Q207 PolarHBondContact O-N 3.06Å; L203-I237 HydrophobicContact CD1-CD1 4.39Å; L203-I237 HydrophobicContact CD2-CD1 3.99Å; L203-I237 HydrophobicContact CD2-CG1 4.23Å; L203-I237 HydrophobicContact CD2-CG2 3.6Å; L203-I237 HydrophobicContact CG-CD1 4.11Å; L203-I237 HydrophobicContact CG-CG2 4.47Å
204K85.1Confident88.4Confident42 Ų4253.4 Ų53.418%0.18328%0.277CS..Hα-helixtrans-67.8-45.4-178.8-167.367.2-163.7168.90112.8I169 N170 Q200 A201 V202 L206 Q207 L208I169-K204 HydrophobicContact CG2-CG 4.3Å; N170-K204 VanDerWaalsContact ND2-CE 3.25Å; N170-K204 WeakPolarHBondContact ND2-CE 3.18Å; N170-K204 WeakPolarHBondContact OD1-CE 3.46Å; N170-K204 PolarHBondContact OD1-NZ 3.15Å; N170-K204 VanDerWaalsContact OD1-NZ 3.11Å; Q200-K204 VanDerWaalsContact O-CB 3.24Å; Q200-K204 WeakPolarHBondContact O-CB 3.25Å; Q200-K204 PolarHBondContact O-N 2.92Å; A201-K204 PolarHBondContact O-N 2.8Å; V202-K204 PolarHBondContact O-N 3.1Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.33Å; K204-Q207 WeakPolarHBondContact O-CB 3.41Å; K204-Q207 PolarHBondContact O-N 3.23Å; K204-L208 HydrophobicContact CG-CD1 4.27Å; K204-L208 VanDerWaalsContact O-CG 3.3Å; K204-L208 WeakPolarHBondContact O-CG 3.33Å; K204-L208 PolarHBondContact O-N 3.46Å
205L85.1Confident88.2Confident0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-63.6-39.8176.3-72.2165.1000111.2L157 A161 I169 A189 L190 A193 A201 V202 L208 G209 A210L157-L205 HydrophobicContact CD1-CD2 4.37Å; L157-L205 HydrophobicContact CD2-CD2 4.4Å; L157-L205 HydrophobicContact CG-CD2 4.44Å; A161-L205 HydrophobicContact CB-CD1 3.93Å; I169-L205 HydrophobicContact CD1-CG 4.47Å; I169-L205 HydrophobicContact CG2-CD2 3.77Å; I169-L205 HydrophobicContact CG2-CG 4.25Å; A189-L205 HydrophobicContact CB-CD1 4.15Å; A189-L205 HydrophobicContact CB-CD2 4.11Å; A189-L205 WeakPolarHBondContact O-CD1 3.22Å; L190-L205 HydrophobicContact CD1-CB 4.21Å; A193-L205 HydrophobicContact CB-CD1 3.96Å; A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 WeakPolarHBondContact O-CD1 3.46Å; A201-L205 VanDerWaalsContact O-CG 3.22Å; A201-L205 WeakPolarHBondContact O-CG 3.29Å; A201-L205 PolarHBondContact O-N 3.14Å; V202-L205 PolarHBondContact O-N 2.97Å; L205-L208 CarbonylContact O-C 3.46Å; L205-L208 PolarHBondContact O-N 3.49Å; L205-G209 PolarHBondContact O-N 3.29Å; L205-A210 HydrophobicContact CB-CB 3.96Å; L205-A210 WeakPolarHBondContact O-CB 3.42Å; L205-A210 PolarHBondContact O-N 3.42Å
206L85.3Confident88.1Confident38 Ų3857.4 Ų57.420%0.19929%0.291CS..Hα-helixtrans-63.1-41.4173.3-69171.6000112L190 V202 L203 K204 L208 G209 K212 I237 L238L190-L206 HydrophobicContact CD1-CD2 4.12Å; L190-L206 HydrophobicContact CD1-CG 4.05Å; L190-L206 HydrophobicContact CD2-CD2 3.92Å; V202-L206 HydrophobicContact CG1-CD1 3.88Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CB 3.38Å; V202-L206 VanDerWaalsContact O-CG 3.25Å; V202-L206 WeakPolarHBondContact O-CG 3.49Å; V202-L206 PolarHBondContact O-N 3.04Å; L203-L206 PolarHBondContact O-N 3.38Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.33Å; L206-L208 VanDerWaalsContact C-N 3.25Å; L206-L208 PolarHBondContact O-N 3.25Å; L206-G209 PolarHBondContact O-N 3.35Å; L206-G209 VanDerWaalsContact O-N 3.11Å; L206-K212 HydrophobicContact CD2-CB 4.21Å; L206-I237 HydrophobicContact CD1-CG2 3.79Å; L206-L238 HydrophobicContact CD1-CD2 4.1Å; L206-L238 HydrophobicContact CD2-CD2 4.27Å
207Q87Confident88.1Confident143 Ų14359.4 Ų59.467%0.66830%0.302SS*.Hα-helixtrans-61.6-35.4174.8-172.4-173.420.700111.9L203 K204 G209L203-Q207 WeakPolarHBondContact O-CB 3.44Å; L203-Q207 PolarHBondContact O-N 3.06Å; K204-Q207 WeakPolarHBondContact O-CB 3.41Å; K204-Q207 PolarHBondContact O-N 3.23Å; Q207-G209 PolarHBondContact O-N 2.79Å
208L79.1Confident88.1Confident50 Ų5063.3 Ų63.326%0.26232%0.322SS..THydrogen-bonded Turntrans-80.71.5178.1-65.2171000113.1I169 V173 I179 K204 L205 L206I169-L208 HydrophobicContact CG2-CD1 3.73Å; V173-L208 HydrophobicContact CB-CD1 4.17Å; V173-L208 HydrophobicContact CG1-CD1 4.33Å; V173-L208 HydrophobicContact CG1-CD2 4.27Å; V173-L208 HydrophobicContact CG2-CD1 3.98Å; I179-L208 HydrophobicContact CD1-CB 3.92Å; I179-L208 WeakPolarHBondContact CD1-O 3.33Å; K204-L208 HydrophobicContact CG-CD1 4.27Å; K204-L208 VanDerWaalsContact O-CG 3.3Å; K204-L208 WeakPolarHBondContact O-CG 3.33Å; K204-L208 PolarHBondContact O-N 3.46Å; L205-L208 CarbonylContact O-C 3.46Å; L205-L208 PolarHBondContact O-N 3.49Å; L206-L208 VanDerWaalsContact C-N 3.25Å; L206-L208 PolarHBondContact O-N 3.25Å
209G81.5Confident88Confident50 Ų5061.5 Ų61.552%0.51532%0.324SS..THydrogen-bonded Turntrans91.223.2175.800000115.1L205 L206 Q207 D211L205-G209 PolarHBondContact O-N 3.29Å; L206-G209 PolarHBondContact O-N 3.35Å; L206-G209 VanDerWaalsContact O-N 3.11Å; Q207-G209 PolarHBondContact O-N 2.79Å; G209-D211 PolarHBondContact O-N 3.07Å
210A89Confident88.1Confident10 Ų1061.7 Ų61.78%0.08332%0.323CS..  trans-61.1132173.800000111.8I179 L190 L205 K212I179-A210 HydrophobicContact CG2-CB 3.52Å; L190-A210 HydrophobicContact CB-CB 4.08Å; L190-A210 HydrophobicContact CD2-CB 4.19Å; L205-A210 HydrophobicContact CB-CB 3.96Å; L205-A210 WeakPolarHBondContact O-CB 3.42Å; L205-A210 PolarHBondContact O-N 3.42Å; A210-K212 PolarHBondContact O-N 3.33Å
211D86.7Confident88.2Confident58 Ų5856.3 Ų56.331%0.3130%0.3SS..  trans-79.3109-179.5-175.1-3.6000110.7N180 G209 T213 I214N180-D211 PolarHBondContact OD1-N 3.33Å; G209-D211 PolarHBondContact O-N 3.07Å; D211-T213 VanDerWaalsContact CG-OG1 3.24Å; D211-T213 PolarHBondContact O-N 2.86Å; D211-T213 WeakPolarHBondContact OD1-CA 2.94Å; D211-T213 VanDerWaalsContact OD1-CB 3.26Å; D211-T213 WeakPolarHBondContact OD1-CB 3.36Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.42Å; D211-T213 PolarHBondContact OD1-N 2.72Å; D211-T213 PolarHBondContact OD1-OG1 3.49Å; D211-T213 PolarHBondContact OD2-OG1 3.19Å; D211-T213 VanDerWaalsContact OD2-OG1 3.1Å; D211-I214 HydrophobicContact CB-CD1 3.77Å; D211-I214 HydrophobicContact CB-CG1 3.91Å
212K89.1Confident88.2Confident51 Ų5156.2 Ų56.222%0.22230%0.299CS..THydrogen-bonded Turntrans-76.2-1.3176.866.5176176178.50114.4L190 L206 A210 P222 L238 S241 S242L190-K212 HydrophobicContact CD2-CB 3.82Å; L206-K212 HydrophobicContact CD2-CB 4.21Å; A210-K212 PolarHBondContact O-N 3.33Å; K212-P222 VanDerWaalsContact O-CD 3.22Å; K212-P222 WeakPolarHBondContact O-CD 3.46Å; K212-L238 HydrophobicContact CB-CD2 4.31Å; K212-S241 WeakPolarHBondContact CD-OG 3.2Å; K212-S241 PolarHBondContact NZ-O 3.48Å; K212-S241 PolarHBondContact NZ-OG 3.06Å; K212-S242 VanDerWaalsContact NZ-N 3.15Å
213T86.6Confident88.3Confident96 Ų9657.7 Ų57.759%0.58931%0.311SS*.THydrogen-bonded Turntrans-92.7-18.6178.874.50000112.8D211 R215D211-T213 VanDerWaalsContact CG-OG1 3.24Å; D211-T213 PolarHBondContact O-N 2.86Å; D211-T213 WeakPolarHBondContact OD1-CA 2.94Å; D211-T213 VanDerWaalsContact OD1-CB 3.26Å; D211-T213 WeakPolarHBondContact OD1-CB 3.36Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.42Å; D211-T213 PolarHBondContact OD1-N 2.72Å; D211-T213 PolarHBondContact OD1-OG1 3.49Å; D211-T213 PolarHBondContact OD2-OG1 3.19Å; D211-T213 VanDerWaalsContact OD2-OG1 3.1Å; T213-R215 PolarHBondContact O-N 3.47Å
214I88.1Confident88.5Confident32 Ų3256.7 Ų56.716%0.16431%0.306CS..PPolyproline II helixtrans-62.6127.3-179.8-63.2175.6000110.2N180 Q182 T188 D211 P222N180-I214 HydrophobicContact CB-CD1 3.63Å; Q182-I214 HydrophobicContact CG-CG2 3.95Å; T188-I214 HydrophobicContact CG2-CB 4.06Å; T188-I214 HydrophobicContact CG2-CD1 4.04Å; T188-I214 HydrophobicContact CG2-CG2 3.58Å; D211-I214 HydrophobicContact CB-CD1 3.77Å; D211-I214 HydrophobicContact CB-CG1 3.91Å; I214-P222 WeakPolarHBondContact O-CD 3.28Å
215R91.3Very high88.9Confident137 Ų13754.7 Ų54.752%0.51730%0.297SS..PPolyproline II helixtrans-101.5146.4-177.1-64.7179.4175.8-89.5-4.1111.3Q182 T213 G219 K220 D224Q182-R215 PolarHBondContact NE2-O 2.86Å; T213-R215 PolarHBondContact O-N 3.47Å; R215-G219 PolarHBondContact NH1-O 3.42Å; R215-K220 WeakPolarHBondContact CA-O 3.41Å; R215-D224 IonicContact NH1-OD2 3.98Å
216T92.9Very high89.2Confident7 Ų754.7 Ų54.74%0.04330%0.297CS..PPolyproline II helixtrans-64.5168.816965.20000111.2G186 Y187 T218 G219 K220 L225G186-T216 WeakPolarHBondContact O-CA 3.4Å; Y187-T216 HydrophobicContact CD1-CG2 4.28Å; Y187-T216 HydrophobicContact CD2-CG2 3.81Å; Y187-T216 HydrophobicContact CE1-CG2 4.18Å; Y187-T216 HydrophobicContact CE2-CG2 3.69Å; Y187-T216 HydrophobicContact CG-CG2 4.1Å; T216-T218 PolarHBondContact O-N 3.46Å; T216-T218 VanDerWaalsContact O-N 3.13Å; T216-T218 PolarHBondContact OG1-N 2.91Å; T216-T218 PolarHBondContact OG1-OG1 2.83Å; T216-G219 WeakPolarHBondContact O-CA 3.27Å; T216-G219 PolarHBondContact O-N 2.95Å; T216-K220 PolarHBondContact N-O 2.88Å; T216-K220 PolarHBondContact OG1-N 3.34Å; T216-K220 PolarHBondContact OG1-O 3.38Å; T216-L225 HydrophobicContact CG2-CD1 3.91Å
217K92.9Very high89.5Confident159 Ų15959.6 Ų59.669%0.69132%0.319SS*.THydrogen-bonded Turntrans-61.4-20.9173.2-70.8-174.4-179-178.60113.4S184 K185 G219S184-K217 VanDerWaalsContact O-CD 3.29Å; S184-K217 WeakPolarHBondContact O-CD 3.14Å; S184-K217 WeakPolarHBondContact O-CE 3.45Å; S184-K217 PolarHBondContact O-NZ 3.11Å; K185-K217 WeakPolarHBondContact O-CB 3.47Å; K185-K217 WeakPolarHBondContact O-CG 3.29Å; K185-K217 PolarHBondContact O-N 3.22Å; K217-G219 PolarHBondContact O-N 2.96Å
218T91.1Very high89.8Confident104 Ų10457.5 Ų57.564%0.63831%0.311SS*.THydrogen-bonded Turntrans-83.65172.758.10000113.1T216 K220T216-T218 PolarHBondContact O-N 3.46Å; T216-T218 VanDerWaalsContact O-N 3.13Å; T216-T218 PolarHBondContact OG1-N 2.91Å; T216-T218 PolarHBondContact OG1-OG1 2.83Å; T218-K220 VanDerWaalsContact C-N 3.29Å; T218-K220 PolarHBondContact O-N 3.3Å
219G90.9Very high90.3Very high36 Ų3658.8 Ų58.837%0.37131%0.314SS..  trans77.49.117900000114.4R215 T216 K217R215-G219 PolarHBondContact NH1-O 3.42Å; T216-G219 WeakPolarHBondContact O-CA 3.27Å; T216-G219 PolarHBondContact O-N 2.95Å; K217-G219 PolarHBondContact O-N 2.96Å
220K91.4Very high90.8Very high81 Ų8166.6 Ų66.635%0.35233%0.328SS..  trans-84.7129.2-176.7-61.6-68.3176.7178.60110.8R215 T216 T218 D224 L225 M228R215-K220 WeakPolarHBondContact CA-O 3.41Å; T216-K220 PolarHBondContact N-O 2.88Å; T216-K220 PolarHBondContact OG1-N 3.34Å; T216-K220 PolarHBondContact OG1-O 3.38Å; T218-K220 VanDerWaalsContact C-N 3.29Å; T218-K220 PolarHBondContact O-N 3.3Å; K220-D224 HydrophobicContact CB-CB 4.25Å; K220-D224 HydrophobicContact CD-CB 3.98Å; K220-L225 HydrophobicContact CB-CD2 3.87Å; K220-L225 HydrophobicContact CB-CG 4.14Å; K220-L225 HydrophobicContact CG-CD2 4.45Å; K220-M228 HydrophobicContact CD-CE 3.68Å; K220-M228 HydrophobicContact CG-CE 3.92Å
221S92.3Very high90.9Very high13 Ų1368.6 Ų68.69%0.09134%0.336CS..  trans-74.1160.7169830000110.6A223 D224 L225S221-A223 PolarHBondContact O-N 3.3Å; S221-A223 PolarHBondContact OG-N 2.98Å; S221-D224 PolarHBondContact N-OD2 3.13Å; S221-D224 WeakPolarHBondContact O-CB 3.28Å; S221-D224 PolarHBondContact O-N 3.5Å; S221-D224 PolarHBondContact OG-N 2.92Å; S221-D224 VanDerWaalsContact OG-N 3.07Å; S221-D224 PolarHBondContact OG-OD1 2.82Å; S221-D224 PolarHBondContact OG-OD2 2.91Å; S221-L225 WeakPolarHBondContact O-CG 3.42Å; S221-L225 PolarHBondContact O-N 2.91Å
222P90.6Very high90.9Very high0 Ų071.3 Ų71.30%036%0.355CS..Hα-helixtrans-54.3-35.9170.9-26.135.7000112.5L190 V194 K212 I214 L225 A226 L238L190-P222 HydrophobicContact CD2-CB 4.36Å; L190-P222 HydrophobicContact CD2-CG 4.23Å; L190-P222 HydrophobicContact CG-CB 4.47Å; V194-P222 WeakPolarHBondContact CG1-O 3.2Å; V194-P222 HydrophobicContact CG2-CB 4.35Å; K212-P222 VanDerWaalsContact O-CD 3.22Å; K212-P222 WeakPolarHBondContact O-CD 3.46Å; I214-P222 WeakPolarHBondContact O-CD 3.28Å; P222-L225 PolarHBondContact O-N 2.84Å; P222-A226 PolarHBondContact O-N 3.36Å; P222-L238 HydrophobicContact CB-CD1 4.07Å; P222-L238 HydrophobicContact CB-CD2 4.48Å; P222-L238 WeakPolarHBondContact O-CD1 3.46Å
223A91.6Very high90.8Very high30 Ų3071.7 Ų71.725%0.24836%0.357CS..Hα-helixtrans-66.5-43175.400000111.6S221 L225 A226 E227 L238S221-A223 PolarHBondContact O-N 3.3Å; S221-A223 PolarHBondContact OG-N 2.98Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.13Å; A223-A226 WeakPolarHBondContact O-CB 3.26Å; A223-A226 PolarHBondContact O-N 3.47Å; A223-A226 VanDerWaalsContact O-N 3.13Å; A223-E227 PolarHBondContact O-N 3.4Å; A223-L238 HydrophobicContact CB-CB 4.24Å
224D92.1Very high90.9Very high53 Ų5367.1 Ų67.128%0.28333%0.329SS..Hα-helixtrans-62.2-37.1176.8-49.1-12.3000110.9R215 K220 S221 M228R215-D224 IonicContact NH1-OD2 3.98Å; K220-D224 HydrophobicContact CB-CB 4.25Å; K220-D224 HydrophobicContact CD-CB 3.98Å; S221-D224 PolarHBondContact N-OD2 3.13Å; S221-D224 WeakPolarHBondContact O-CB 3.28Å; S221-D224 PolarHBondContact O-N 3.5Å; S221-D224 PolarHBondContact OG-N 2.92Å; S221-D224 VanDerWaalsContact OG-N 3.07Å; S221-D224 PolarHBondContact OG-OD1 2.82Å; S221-D224 PolarHBondContact OG-OD2 2.91Å; D224-M228 VanDerWaalsContact O-CB 3.26Å; D224-M228 WeakPolarHBondContact O-CB 3.43Å; D224-M228 PolarHBondContact O-N 2.89Å
225L91.5Very high91Very high0 Ų066.3 Ų66.30%033%0.327CS..Hα-helixtrans-66-43.4174.7-66.4175000111Y187 V194 T216 K220 S221 P222 A223 E227 M228 F229Y187-L225 HydrophobicContact CD1-CD1 4.25Å; Y187-L225 HydrophobicContact CE1-CD1 3.7Å; Y187-L225 HydrophobicContact CE1-CD2 4.32Å; V194-L225 HydrophobicContact CG1-CB 3.98Å; T216-L225 HydrophobicContact CG2-CD1 3.91Å; K220-L225 HydrophobicContact CB-CD2 3.87Å; K220-L225 HydrophobicContact CB-CG 4.14Å; K220-L225 HydrophobicContact CG-CD2 4.45Å; S221-L225 WeakPolarHBondContact O-CG 3.42Å; S221-L225 PolarHBondContact O-N 2.91Å; P222-L225 PolarHBondContact O-N 2.84Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.13Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.21Å; L225-M228 PolarHBondContact O-N 3.26Å; L225-F229 HydrophobicContact CB-CD2 4.32Å; L225-F229 HydrophobicContact CB-CE2 4.43Å; L225-F229 HydrophobicContact CD2-CE2 4.07Å; L225-F229 WeakPolarHBondContact O-CD2 3.45Å; L225-F229 PolarHBondContact O-N 3.04Å
226A92.6Very high90.7Very high0 Ų067 Ų670%033%0.33CS..Hα-helixtrans-60-40.6177.800000111.8V194 P222 A223 R230 H231 I234 A235 L238V194-A226 HydrophobicContact CG1-CB 3.63Å; P222-A226 PolarHBondContact O-N 3.36Å; A223-A226 WeakPolarHBondContact O-CB 3.26Å; A223-A226 PolarHBondContact O-N 3.47Å; A223-A226 VanDerWaalsContact O-N 3.13Å; A226-R230 PolarHBondContact O-N 3.45Å; A226-R230 VanDerWaalsContact O-N 3.12Å; A226-H231 PolarHBondContact O-N 3.39Å; A226-I234 HydrophobicContact CB-CB 4.22Å; A226-I234 HydrophobicContact CB-CG2 3.88Å; A226-A235 HydrophobicContact CB-CB 3.78Å; A226-L238 HydrophobicContact CB-CD1 4.1Å
227E92Very high90.2Very high141 Ų14167.9 Ų67.966%0.65933%0.334SS*.Hα-helixtrans-67.7-45174.1-69.2-177.717800112.2A223 L225 F229 R230 A235A223-E227 PolarHBondContact O-N 3.4Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.21Å; E227-F229 VanDerWaalsContact C-N 3.35Å; E227-F229 PolarHBondContact O-N 2.85Å; E227-R230 PolarHBondContact O-N 3.39Å; E227-A235 HydrophobicContact CG-CB 4.2Å
228M91.8Very high89.8Confident99 Ų9960.7 Ų60.749%0.48830%0.303SS..Hα-helixtrans-59.3-43.7179.4-175.3-175.9-56.800112.3K220 D224 L225 R230K220-M228 HydrophobicContact CD-CE 3.68Å; K220-M228 HydrophobicContact CG-CE 3.92Å; D224-M228 VanDerWaalsContact O-CB 3.26Å; D224-M228 WeakPolarHBondContact O-CB 3.43Å; D224-M228 PolarHBondContact O-N 2.89Å; L225-M228 PolarHBondContact O-N 3.26Å; M228-R230 VanDerWaalsContact C-N 3.27Å; M228-R230 PolarHBondContact O-N 3.46Å
229F90.9Very high89.2Confident77 Ų7758.7 Ų58.734%0.33830%0.297SS..THydrogen-bonded Turntrans-85.83.7177.5-66.4-68.9000113.4Q195 L225 E227 H231Q195-F229 HydrophobicContact CB-CD2 4.32Å; Q195-F229 HydrophobicContact CB-CE2 4Å; Q195-F229 HydrophobicContact CG-CD2 4.3Å; Q195-F229 HydrophobicContact CG-CE1 4.32Å; Q195-F229 HydrophobicContact CG-CE2 3.73Å; Q195-F229 HydrophobicContact CG-CZ 3.76Å; L225-F229 HydrophobicContact CB-CD2 4.32Å; L225-F229 HydrophobicContact CB-CE2 4.43Å; L225-F229 HydrophobicContact CD2-CE2 4.07Å; L225-F229 WeakPolarHBondContact O-CD2 3.45Å; L225-F229 PolarHBondContact O-N 3.04Å; E227-F229 VanDerWaalsContact C-N 3.35Å; E227-F229 PolarHBondContact O-N 2.85Å; F229-H231 VanDerWaalsContact C-N 3.28Å; F229-H231 VanDerWaalsContact CB-CD2 3.47Å; F229-H231 WeakPolarHBondContact CB-CD2 3.38Å; F229-H231 PolarHBondContact O-N 3.29Å
230R91.1Very high88.1Confident215 Ų21560.3 Ų60.381%0.81130%0.302SS*.THydrogen-bonded Turntrans60.929.2177.9-53.5-177.4176.8-168.3-0.8114.7A226 E227 M228 T232A226-R230 PolarHBondContact O-N 3.45Å; A226-R230 VanDerWaalsContact O-N 3.12Å; E227-R230 PolarHBondContact O-N 3.39Å; M228-R230 VanDerWaalsContact C-N 3.27Å; M228-R230 PolarHBondContact O-N 3.46Å; R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.19Å
231H90.8Very high86.3Confident52 Ų5257.2 Ų57.224%0.24129%0.291CS..  trans-83.374.4172.7-61.5-53.4000110.3V194 Q195 G197 A226 F229 Q233 I234 A235V194-H231 PolarHBondContact O-CD2 3.47Å; V194-H231 PolarHBondContact O-NE2 2.98Å; Q195-H231 PolarHBondContact O-NE2 2.81Å; G197-H231 WeakPolarHBondContact CA-CE1 3.44Å; G197-H231 WeakPolarHBondContact CA-NE2 3.3Å; G197-H231 PolarHBondContact N-NE2 3.39Å; A226-H231 PolarHBondContact O-N 3.39Å; F229-H231 VanDerWaalsContact C-N 3.28Å; F229-H231 VanDerWaalsContact CB-CD2 3.47Å; F229-H231 WeakPolarHBondContact CB-CD2 3.38Å; F229-H231 PolarHBondContact O-N 3.29Å; H231-Q233 VanDerWaalsContact C-N 3.28Å; H231-Q233 PolarHBondContact O-N 2.77Å; H231-I234 HydrophobicContact CB-CB 3.88Å; H231-I234 HydrophobicContact CB-CD1 3.88Å; H231-I234 HydrophobicContact CB-CG1 4.02Å; H231-I234 PolarHBondContact O-N 2.96Å; H231-I234 VanDerWaalsContact O-N 3.09Å; H231-A235 PolarHBondContact O-N 3.31Å
232T87.7Confident83.8Confident114 Ų11459.7 Ų59.770%0.69931%0.308SS*.Hα-helixtrans-56.4-39.1-172.254.80000113.5R230 A235 R236R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.19Å; T232-A235 PolarHBondContact O-N 3.37Å; T232-R236 WeakPolarHBondContact O-CB 3.29Å; T232-R236 PolarHBondContact O-N 2.99Å
233Q87Confident81.3Confident59 Ų5968.6 Ų68.628%0.27635%0.347SS..Hα-helixtrans-67.5-41.8178.2-177.157.121.500111.9E199 H231 R236 I237E199-Q233 WeakPolarHBondContact OE1-CB 3.46Å; E199-Q233 WeakPolarHBondContact OE1-CG 3.24Å; H231-Q233 VanDerWaalsContact C-N 3.28Å; H231-Q233 PolarHBondContact O-N 2.77Å; Q233-R236 VanDerWaalsContact CD-NH2 3.34Å; Q233-R236 VanDerWaalsContact NE2-NH2 3.19Å; Q233-R236 WeakPolarHBondContact O-CB 3.47Å; Q233-R236 PolarHBondContact O-N 3.28Å; Q233-I237 HydrophobicContact CG-CD1 4.19Å; Q233-I237 VanDerWaalsContact O-CG1 3.29Å; Q233-I237 WeakPolarHBondContact O-CG1 3.44Å; Q233-I237 PolarHBondContact O-N 3.47Å
234I89.3Confident78.7Confident0 Ų074.8 Ų74.80%038%0.375CS..Hα-helixtrans-65.9-43.8176.2-62-176.3000110.6V194 E199 V202 A226 H231 R236 I237 L238V194-I234 HydrophobicContact CB-CG2 4.28Å; V194-I234 HydrophobicContact CG1-CG2 4Å; V194-I234 HydrophobicContact CG2-CG2 3.75Å; E199-I234 HydrophobicContact CB-CG1 4.42Å; E199-I234 HydrophobicContact CG-CD1 3.99Å; E199-I234 HydrophobicContact CG-CG1 3.69Å; V202-I234 HydrophobicContact CG1-CG2 4.24Å; V202-I234 HydrophobicContact CG2-CD1 4.26Å; V202-I234 HydrophobicContact CG2-CG2 4.12Å; A226-I234 HydrophobicContact CB-CB 4.22Å; A226-I234 HydrophobicContact CB-CG2 3.88Å; H231-I234 HydrophobicContact CB-CB 3.88Å; H231-I234 HydrophobicContact CB-CD1 3.88Å; H231-I234 HydrophobicContact CB-CG1 4.02Å; H231-I234 PolarHBondContact O-N 2.96Å; H231-I234 VanDerWaalsContact O-N 3.09Å; I234-R236 VanDerWaalsContact C-N 3.26Å; I234-R236 PolarHBondContact O-N 3.32Å; I234-I237 PolarHBondContact O-N 2.9Å; I234-I237 VanDerWaalsContact O-N 3.13Å; I234-L238 HydrophobicContact CG2-CD1 3.81Å; I234-L238 HydrophobicContact CG2-CG 4.31Å; I234-L238 WeakPolarHBondContact O-CB 3.45Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.46Å
235A88.4Confident75.9Confident15 Ų1576.8 Ų76.812%0.12439%0.394CS..Hα-helixtrans-57.8-43.1175.100000110.7A226 E227 H231 T232 L238 A239A226-A235 HydrophobicContact CB-CB 3.78Å; E227-A235 HydrophobicContact CG-CB 4.2Å; H231-A235 PolarHBondContact O-N 3.31Å; T232-A235 PolarHBondContact O-N 3.37Å; A235-L238 PolarHBondContact O-N 3.18Å; A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 2.92Å
236R85.1Confident72.9Confident152 Ų15280 Ų8057%0.57442%0.42SS*.Hα-helixtrans-63.2-42.5175.1-172.217066.5131.6-5.5112.4T232 Q233 I234 S240T232-R236 WeakPolarHBondContact O-CB 3.29Å; T232-R236 PolarHBondContact O-N 2.99Å; Q233-R236 VanDerWaalsContact CD-NH2 3.34Å; Q233-R236 VanDerWaalsContact NE2-NH2 3.19Å; Q233-R236 WeakPolarHBondContact O-CB 3.47Å; Q233-R236 PolarHBondContact O-N 3.28Å; I234-R236 VanDerWaalsContact C-N 3.26Å; I234-R236 PolarHBondContact O-N 3.32Å; R236-S240 WeakPolarHBondContact O-CB 3.42Å; R236-S240 PolarHBondContact O-N 3.45Å; R236-S240 PolarHBondContact O-OG 2.86Å
237I84.3Confident70.1Confident25 Ų2586.5 Ų86.513%0.12846%0.459CS..Hα-helixtrans-61.6-46.9176.2-71.3162.7000110.6V202 L203 L206 Q233 I234 S240 S241V202-I237 HydrophobicContact CG1-CG2 4.41Å; L203-I237 HydrophobicContact CD1-CD1 4.39Å; L203-I237 HydrophobicContact CD2-CD1 3.99Å; L203-I237 HydrophobicContact CD2-CG1 4.23Å; L203-I237 HydrophobicContact CD2-CG2 3.6Å; L203-I237 HydrophobicContact CG-CD1 4.11Å; L203-I237 HydrophobicContact CG-CG2 4.47Å; L206-I237 HydrophobicContact CD1-CG2 3.79Å; Q233-I237 HydrophobicContact CG-CD1 4.19Å; Q233-I237 VanDerWaalsContact O-CG1 3.29Å; Q233-I237 WeakPolarHBondContact O-CG1 3.44Å; Q233-I237 PolarHBondContact O-N 3.47Å; I234-I237 PolarHBondContact O-N 2.9Å; I234-I237 VanDerWaalsContact O-N 3.13Å; I237-S240 PolarHBondContact O-N 3.25Å; I237-S241 WeakPolarHBondContact O-CB 3.36Å; I237-S241 PolarHBondContact O-N 3.33Å; I237-S241 PolarHBondContact O-OG 3.01Å
238L82.9Confident67.2Low9 Ų985.1 Ų85.15%0.04746%0.463CS..Hα-helixtrans-67.1-38.5-179.5-68.5170000112.2L190 V194 V202 L206 K212 P222 A223 A226 I234 A235 S241L190-L238 HydrophobicContact CD2-CD2 4.45Å; V194-L238 HydrophobicContact CG2-CD1 3.8Å; V202-L238 HydrophobicContact CG1-CD2 4.35Å; L206-L238 HydrophobicContact CD1-CD2 4.1Å; L206-L238 HydrophobicContact CD2-CD2 4.27Å; K212-L238 HydrophobicContact CB-CD2 4.31Å; P222-L238 HydrophobicContact CB-CD1 4.07Å; P222-L238 HydrophobicContact CB-CD2 4.48Å; P222-L238 WeakPolarHBondContact O-CD1 3.46Å; A223-L238 HydrophobicContact CB-CB 4.24Å; A226-L238 HydrophobicContact CB-CD1 4.1Å; I234-L238 HydrophobicContact CG2-CD1 3.81Å; I234-L238 HydrophobicContact CG2-CG 4.31Å; I234-L238 WeakPolarHBondContact O-CB 3.45Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.46Å; A235-L238 PolarHBondContact O-N 3.18Å; L238-S241 PolarHBondContact O-OG 2.94Å
239A79.6Confident64.3Low61 Ų6184.6 Ų84.650%0.50447%0.474SS..Hα-helixtrans-69.3-42.817400000112.4A235 S241 S242A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 2.92Å; A239-S241 VanDerWaalsContact C-N 3.34Å; A239-S241 PolarHBondContact O-N 3.28Å; A239-S242 WeakPolarHBondContact O-CB 3.09Å; A239-S242 PolarHBondContact O-N 3.36Å; A239-S242 PolarHBondContact O-OG 2.94Å
240S68.3Low61.3Low70 Ų7086.3 Ų86.349%0.4949%0.494SS..Hα-helixtrans-72.4-27.4-177-56.60000112.7R236 I237 S242 K243R236-S240 WeakPolarHBondContact O-CB 3.42Å; R236-S240 PolarHBondContact O-N 3.45Å; R236-S240 PolarHBondContact O-OG 2.86Å; I237-S240 PolarHBondContact O-N 3.25Å; S240-S242 PolarHBondContact O-N 3.39Å; S240-K243 PolarHBondContact O-N 3.06Å; S240-K243 VanDerWaalsContact O-N 3.1Å
241S51.8Low58.8Low17 Ų1781.7 Ų81.712%0.11950%0.495CS..G310 helixtrans-68.2-2.5175.566.80000113.5K212 I237 L238 A239 K243 L244K212-S241 WeakPolarHBondContact CD-OG 3.2Å; K212-S241 PolarHBondContact NZ-O 3.48Å; K212-S241 PolarHBondContact NZ-OG 3.06Å; I237-S241 WeakPolarHBondContact O-CB 3.36Å; I237-S241 PolarHBondContact O-N 3.33Å; I237-S241 PolarHBondContact O-OG 3.01Å; L238-S241 PolarHBondContact O-OG 2.94Å; A239-S241 VanDerWaalsContact C-N 3.34Å; A239-S241 PolarHBondContact O-N 3.28Å; S241-K243 PolarHBondContact O-N 2.93Å; S241-L244 PolarHBondContact O-N 3.26Å
242S40.8Very low56.1Low64 Ų6484.5 Ų84.545%0.44852%0.52SS..G310 helixtrans-64.1-23.7166.657.90000112.6K212 A239 S240K212-S242 VanDerWaalsContact NZ-N 3.15Å; A239-S242 WeakPolarHBondContact O-CB 3.09Å; A239-S242 PolarHBondContact O-N 3.36Å; A239-S242 PolarHBondContact O-OG 2.94Å; S240-S242 PolarHBondContact O-N 3.39Å
243K38.8Very low54Low187 Ų18782.1 Ų82.181%0.81351%0.508SS*.G310 helixtrans-88.81.2174.7-74.1-176.6176.7-1780114.8S240 S241S240-K243 PolarHBondContact O-N 3.06Å; S240-K243 VanDerWaalsContact O-N 3.1Å; S241-K243 PolarHBondContact O-N 2.93Å
244L36.4Very low51.9Low161 Ų16184.9 Ų84.984%0.84352%0.522SS*.G310 helixtrans-98.4-2.9168.3-83.1131.6000112.3S241S241-L244 PolarHBondContact O-N 3.26Å
245S33.9Very low49.7Very low95 Ų9591.2 Ų91.266%0.66455%0.552SS**SBendtrans-132.317.3179.687.10000114.9
246A28.5Very low47.5Very low66 Ų6696.3 Ų96.355%0.54557%0.573SS.*  trans-132108.3173.500000109.4P248A246-P248 VanDerWaalsContact O-CD 3.29Å; A246-P248 WeakPolarHBondContact O-CD 3.47Å
247V32.6Very low45.6Very low138 Ų13893.1 Ų93.184%0.83657%0.571SS**  trans-57.8121151.9173.80000106.8
248P31.5Very low43.5Very low112 Ų11295.5 Ų95.573%0.72758%0.583SS**  trans-85.6110.415529.8-17.5000107.3A246A246-P248 VanDerWaalsContact O-CD 3.29Å; A246-P248 WeakPolarHBondContact O-CD 3.47Å
249A29.9Very low41.5Very low88 Ų8897.7 Ų97.773%0.72760%0.603SS**  trans-64.5123.2141.800000104.9
250C28.6Very low39.8Very low112 Ų112101.3 Ų101.376%0.75761%0.608SS**SBendcis-152.1159.132-80.20000112.6
251S38.3Very low38.5Very low119 Ų119102.9 Ų102.983%0.83261%0.61SS**  trans69.569.4151.274.70000119.6
252S35.1Very low37.7Very low110 Ų110108.4 Ų108.477%0.76963%0.632SS**SBendtrans-156.3126.513155.80000108.9
253S43.3Very low37.8Very low64 Ų64113.3 Ų113.345%0.44865%0.645SS.*  trans-42.6132.2-156.7-172.90000117.1E255 E256S253-E255 PolarHBondContact O-N 3.04Å; S253-E255 VanDerWaalsContact O-N 3.15Å; S253-E255 WeakPolarHBondContact OG-CB 3.42Å; S253-E255 PolarHBondContact OG-N 3.22Å; S253-E255 PolarHBondContact OG-OE2 3.42Å; S253-E256 PolarHBondContact O-N 3.08Å
254M42.3Very low37.6Very low117 Ų117108.6 Ų108.658%0.57663%0.632SS**Hα-helixtrans-56.7-23.5173.1-163.6176.3-82.400112.6E256 T257 L258M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 2.88Å; M254-T257 PolarHBondContact O-N 3.2Å; M254-T257 PolarHBondContact O-OG1 2.85Å; M254-L258 PolarHBondContact O-N 3.31Å
255E44Very low37.8Very low134 Ų134105 Ų10563%0.62661%0.614SS**Hα-helixtrans-65.7-31.5174.7-64.1167.6130.700113S253 T257 L258 A259S253-E255 PolarHBondContact O-N 3.04Å; S253-E255 VanDerWaalsContact O-N 3.15Å; S253-E255 WeakPolarHBondContact OG-CB 3.42Å; S253-E255 PolarHBondContact OG-N 3.22Å; S253-E255 PolarHBondContact OG-OE2 3.42Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 3.12Å; E255-L258 PolarHBondContact O-N 2.96Å; E255-A259 WeakPolarHBondContact O-CB 3.46Å; E255-A259 PolarHBondContact O-N 3.05Å
256E42.4Very low37.8Very low121 Ų121104.2 Ų104.257%0.56561%0.608SS**Hα-helixtrans-74.3-29.2-177.3-131.2-178-165.100111.9S253 M254 K260S253-E256 PolarHBondContact O-N 3.08Å; M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 2.88Å; E256-K260 WeakPolarHBondContact O-CB 3.45Å; E256-K260 WeakPolarHBondContact O-CG 3.14Å; E256-K260 PolarHBondContact O-N 3.37Å
257T43.6Very low38.1Very low86 Ų86107.6 Ų107.653%0.52862%0.617SS.*Hα-helixtrans-76.5-38.8172.921.30000112.6M254 E255 L261M254-T257 PolarHBondContact O-N 3.2Å; M254-T257 PolarHBondContact O-OG1 2.85Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 3.12Å; T257-L261 PolarHBondContact O-N 3.13Å
258L40.4Very low38.5Very low74 Ų74106.2 Ų106.239%0.38761%0.609SS.*Hα-helixtrans-71.4-42.5175.8-72.4169.6000111.3M254 E255 K260 L261 F262M254-L258 PolarHBondContact O-N 3.31Å; E255-L258 PolarHBondContact O-N 2.96Å; L258-K260 VanDerWaalsContact C-N 3.27Å; L258-K260 PolarHBondContact O-N 3.24Å; L258-L261 PolarHBondContact O-N 3.23Å; L258-L261 VanDerWaalsContact O-N 3.14Å; L258-F262 WeakPolarHBondContact O-CD2 3.27Å; L258-F262 PolarHBondContact O-N 2.99Å
259A42.3Very low38.7Very low56 Ų56106 Ų10646%0.46360%0.601SS.*Hα-helixtrans-62.9-31.9175.400000112.8E255 K263E255-A259 WeakPolarHBondContact O-CB 3.46Å; E255-A259 PolarHBondContact O-N 3.05Å; A259-K263 WeakPolarHBondContact O-CB 3.19Å; A259-K263 PolarHBondContact O-N 3.38Å
260K43.3Very low38.9Very low137 Ų137106.7 Ų106.760%0.59660%0.601SS**Hα-helixtrans-69.9-37.5173.1-84.1171.8-177.8161.10112.7E256 L258 T264E256-K260 WeakPolarHBondContact O-CB 3.45Å; E256-K260 WeakPolarHBondContact O-CG 3.14Å; E256-K260 PolarHBondContact O-N 3.37Å; L258-K260 VanDerWaalsContact C-N 3.27Å; L258-K260 PolarHBondContact O-N 3.24Å; K260-T264 WeakPolarHBondContact O-CG2 3.44Å; K260-T264 PolarHBondContact O-N 3.12Å; K260-T264 PolarHBondContact O-OG1 2.83Å
261L40.3Very low39.3Very low103 Ų103106.3 Ų106.354%0.53960%0.599SS.*Hα-helixtrans-70.2-38.3176.3-84.6160.6000112.8T257 L258 T264 N265T257-L261 PolarHBondContact O-N 3.13Å; L258-L261 PolarHBondContact O-N 3.23Å; L258-L261 VanDerWaalsContact O-N 3.14Å; L261-T264 PolarHBondContact O-OG1 3.27Å; L261-T264 VanDerWaalsContact O-OG1 3.06Å; L261-N265 PolarHBondContact O-N 3.13Å; L261-N265 PolarHBondContact O-ND2 2.99Å
262F36Very low39.3Very low133 Ų133106.4 Ų106.458%0.58360%0.595SS**Hα-helixtrans-75.5-32.7176.2-74.8-70.1000113L258 N265 S266L258-F262 WeakPolarHBondContact O-CD2 3.27Å; L258-F262 PolarHBondContact O-N 2.99Å; F262-N265 PolarHBondContact O-N 3.35Å; F262-S266 PolarHBondContact O-N 2.79Å
263K41.5Very low39.3Very low166 Ų166109.2 Ų109.272%0.72260%0.596SS**Hα-helixtrans-66.8-39.8173.5-105.6176.3173.3172.10113.1A259 N265A259-K263 WeakPolarHBondContact O-CB 3.19Å; A259-K263 PolarHBondContact O-N 3.38Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 2.73Å
264T36Very low39Very low88 Ų88112.2 Ų112.254%0.5462%0.616SS.*Hα-helixtrans-70.2-25.9179.346.40000113.2K260 L261K260-T264 WeakPolarHBondContact O-CG2 3.44Å; K260-T264 PolarHBondContact O-N 3.12Å; K260-T264 PolarHBondContact O-OG1 2.83Å; L261-T264 PolarHBondContact O-OG1 3.27Å; L261-T264 VanDerWaalsContact O-OG1 3.06Å
265N40.3Very low38.9Very low87 Ų87110.4 Ų110.447%0.46562%0.62SS.*Hα-helixtrans-89.4-17.1179.5-74.7-31.8000113.7L261 F262 K263 D267 L269L261-N265 PolarHBondContact O-N 3.13Å; L261-N265 PolarHBondContact O-ND2 2.99Å; F262-N265 PolarHBondContact O-N 3.35Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 2.73Å; N265-D267 VanDerWaalsContact C-N 3.34Å; N265-L269 PolarHBondContact O-N 3.49Å
266S33.2Very low39Very low77 Ų77109.1 Ų109.154%0.53862%0.622SS.*Hα-helixtrans-67.2-32.6174.2-178.30000113F262F262-S266 PolarHBondContact O-N 2.79Å
267D36.2Very low39.1Very low138 Ų138112.9 Ų112.974%0.73864%0.636SS**THydrogen-bonded Turntrans-86.8-11.2-176.8-75-24.5000113.5N265N265-D267 VanDerWaalsContact C-N 3.34Å
268V39.1Very low39.2Very low109 Ų109113 Ų11366%0.66163%0.633SS**THydrogen-bonded Turntrans-100.3-25.5179.9-177.70000112.4
269L36.7Very low39.9Very low107 Ų107114.3 Ų114.356%0.5664%0.64SS**SBendtrans-92.5-6.5-174.1-95.9138.8000115.8N265 S271N265-L269 PolarHBondContact O-N 3.49Å; L269-S271 PolarHBondContact O-N 3.24Å; L269-S271 VanDerWaalsContact O-N 3.08Å
270S34.1Very low40.4Very low103 Ų103116.4 Ų116.472%0.7264%0.64SS**THydrogen-bonded Turntrans-74.44.5-177.765.10000115.5
271S36.4Very low40.9Very low104 Ų104110.4 Ų110.473%0.72762%0.615SS**THydrogen-bonded Turntrans-108.41.2178.275.50000116.2L269L269-S271 PolarHBondContact O-N 3.24Å; L269-S271 VanDerWaalsContact O-N 3.08Å
272V39Very low41.6Very low121 Ų121109.7 Ų109.773%0.73361%0.609SS**SBendtrans-135.734-172.5-1590000114.7
273E35.8Very low42.8Very low169 Ų169109.9 Ų109.979%0.7962%0.615SS**  trans-121.839.7-170.7-144174.8-153.100116.2
274S36.6Very low43.8Very low126 Ų126103.3 Ų103.388%0.88159%0.588SS**SBendtrans-132.47.9174.553.90000117
275A39.7Very low45Very low79 Ų7999.1 Ų99.165%0.65356%0.562SS**SBendtrans-107.6-4.4-172.400000116.6
276T46.3Very low45.8Very low108 Ų108100.9 Ų100.966%0.66357%0.567SS**  trans-107.47.2-162.552.80000116.9
277K43.8Very low46.7Very low200 Ų200100.4 Ų100.487%0.8758%0.575SS**SBendtrans-75.4-22.5-171.1-86.2-174.5176.3-177.40116.2
278L46.6Very low47.7Very low88 Ų8896 Ų9646%0.46155%0.551SS.*SBendtrans-109.5-26.4-172.7-93.3151.1000114E280 E282 A298L278-E280 PolarHBondContact O-N 2.92Å; L278-E282 VanDerWaalsContact O-CB 3.3Å; L278-E282 WeakPolarHBondContact O-CB 3.29Å; L278-E282 PolarHBondContact O-N 3.07Å; L278-A298 HydrophobicContact CD2-CB 3.99Å
279D54.1Low48.6Very low102 Ų10297.6 Ų97.655%0.54556%0.556SS.*Hα-helixtrans-67.2-34.7-167-63-7.2000114L283D279-L283 VanDerWaalsContact O-CB 3.3Å; D279-L283 WeakPolarHBondContact O-CB 3.38Å; D279-L283 PolarHBondContact O-N 3.09Å; D279-L283 VanDerWaalsContact O-N 3.13Å
280E53.1Low50.1Low99 Ų9992.7 Ų92.746%0.46353%0.53SS..Hα-helixtrans-78.8-37.1-174.5-59.8-159.6152.300113.6L278 L284 K412L278-E280 PolarHBondContact O-N 2.92Å; E280-L284 PolarHBondContact O-N 3.49Å; E280-K412 IonicContact OE1-NZ 3.7Å; E280-K412 PolarHBondContact OE1-NZ 3.41Å; E280-K412 IonicContact OE2-NZ 2.87Å; E280-K412 PolarHBondContact OE2-NZ 3.07Å
281L54Low51.4Low12 Ų1289.1 Ų89.16%0.06351%0.509CS..Hα-helixtrans-72.3-43.1178177.866.6000110.6L283 L284 L285 M297 I302 W304 L307L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 3.11Å; L281-L284 PolarHBondContact O-N 3.27Å; L281-L285 HydrophobicContact CD1-CD1 4.15Å; L281-L285 HydrophobicContact CD1-CG 4.38Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 2.6Å; L281-M297 HydrophobicContact CD1-SD 4.01Å; L281-M297 HydrophobicContact CD2-CB 4.04Å; L281-M297 HydrophobicContact CD2-SD 4.15Å; L281-M297 HydrophobicContact CG-SD 4.39Å; L281-I302 VanDerWaalsContact CD2-O 3.23Å; L281-I302 WeakPolarHBondContact CD2-O 3.49Å; L281-W304 HydrophobicContact CB-CE3 4.2Å; L281-W304 HydrophobicContact CD1-CE3 3.66Å; L281-W304 HydrophobicContact CD1-CZ3 3.85Å; L281-L307 HydrophobicContact CD1-CD2 3.58Å
282E55.3Low53.1Low88 Ų8889.5 Ų89.541%0.41150%0.495SS..Hα-helixtrans-60.9-40.9175.5-175.9164.7-167.600111.2L278 L284 L285 H286 T294L278-E282 VanDerWaalsContact O-CB 3.3Å; L278-E282 WeakPolarHBondContact O-CB 3.29Å; L278-E282 PolarHBondContact O-N 3.07Å; E282-L284 PolarHBondContact O-N 2.9Å; E282-L285 PolarHBondContact O-N 2.89Å; E282-H286 WeakPolarHBondContact O-CB 3.2Å; E282-H286 PolarHBondContact O-N 2.69Å; E282-T294 HydrophobicContact CB-CG2 3.65Å; E282-T294 HydrophobicContact CG-CG2 3.58Å
283L59.9Low54.6Low137 Ų13783.8 Ų83.872%0.71746%0.461SS*.Hα-helixtrans-63.4-41.1177.2-153.188.8000112.9D279 L281 G287D279-L283 VanDerWaalsContact O-CB 3.3Å; D279-L283 WeakPolarHBondContact O-CB 3.38Å; D279-L283 PolarHBondContact O-N 3.09Å; D279-L283 VanDerWaalsContact O-N 3.13Å; L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 3.11Å; L283-G287 PolarHBondContact O-N 3Å
284L62.5Low56.1Low28 Ų2876 Ų7615%0.14743%0.425CS..Hα-helixtrans-67.5-50.8176.7178.6109.5000111.2E280 L281 E282 H286 G287 L288 W304 L307 M336E280-L284 PolarHBondContact O-N 3.49Å; L281-L284 PolarHBondContact O-N 3.27Å; E282-L284 PolarHBondContact O-N 2.9Å; L284-H286 PolarHBondContact O-N 3.07Å; L284-G287 PolarHBondContact O-N 3.24Å; L284-G287 VanDerWaalsContact O-N 3.13Å; L284-L288 HydrophobicContact CD2-CD1 3.88Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 WeakPolarHBondContact O-CG 2.97Å; L284-L288 PolarHBondContact O-N 3.07Å; L284-W304 HydrophobicContact CB-CH2 3.59Å; L284-W304 HydrophobicContact CB-CZ3 3.63Å; L284-W304 HydrophobicContact CD1-CH2 3.46Å; L284-W304 VanDerWaalsContact CD1-CH2 3.46Å; L284-W304 HydrophobicContact CD1-CZ2 4.33Å; L284-W304 HydrophobicContact CD1-CZ3 4.3Å; L284-W304 HydrophobicContact CD2-CH2 3.64Å; L284-W304 HydrophobicContact CD2-CZ3 3.68Å; L284-W304 HydrophobicContact CG-CH2 3.65Å; L284-W304 HydrophobicContact CG-CZ3 3.99Å; L284-L307 HydrophobicContact CD2-CD2 4.31Å; L284-M336 HydrophobicContact CD1-CE 3.7Å
285L61.4Low57.7Low0 Ų075.2 Ų75.20%041%0.411CS..Hα-helixtrans-61.7-37.3-178.6-66.3170.8000110.6L281 E282 L288 N289 L290 L293 M297 V329L281-L285 HydrophobicContact CD1-CD1 4.15Å; L281-L285 HydrophobicContact CD1-CG 4.38Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 2.6Å; E282-L285 PolarHBondContact O-N 2.89Å; L285-L288 PolarHBondContact O-N 3.42Å; L285-N289 PolarHBondContact O-N 2.92Å; L285-L290 CarbonylContact O-C 3.58Å; L285-L290 WeakPolarHBondContact O-CA 3.47Å; L285-L290 PolarHBondContact O-N 3.01Å; L285-L293 HydrophobicContact CD1-CB 4.27Å; L285-L293 HydrophobicContact CD2-CB 4.3Å; L285-M297 HydrophobicContact CD1-CG 4.43Å; L285-M297 HydrophobicContact CD1-SD 3.47Å; L285-M297 WeakPolarHBondContact CD1-SD 3.28Å; L285-M297 HydrophobicContact CD2-CE 4.39Å; L285-M297 HydrophobicContact CD2-SD 4.11Å; L285-M297 HydrophobicContact CG-SD 4.32Å; L285-V329 HydrophobicContact CD2-CG2 4.17Å
286H58.3Low59.3Low123 Ų12373.5 Ų73.557%0.56939%0.39SS*.Hα-helixtrans-69.8-38.6176.2-149.68.4000112.3E282 L284 L288 N289E282-H286 WeakPolarHBondContact O-CB 3.2Å; E282-H286 PolarHBondContact O-N 2.69Å; L284-H286 PolarHBondContact O-N 3.07Å; H286-L288 VanDerWaalsContact C-N 3.25Å; H286-L288 PolarHBondContact O-N 2.8Å; H286-N289 PolarHBondContact O-N 2.89Å
287G52.3Low60.5Low68 Ų6868.4 Ų68.470%0.70136%0.359SS*.Hα-helixtrans-63.8-26.1173.100000114.3L283 L284 N289L283-G287 PolarHBondContact O-N 3Å; L284-G287 PolarHBondContact O-N 3.24Å; L284-G287 VanDerWaalsContact O-N 3.13Å; G287-N289 VanDerWaalsContact C-N 3.31Å
288L55.8Low61.7Low44 Ų4460.8 Ų60.823%0.2333%0.333CS..THydrogen-bonded Turntrans-87.53.7172.9-64.8174.6000113.5L284 L285 H286 L290 V329 A332L284-L288 HydrophobicContact CD2-CD1 3.88Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 WeakPolarHBondContact O-CG 2.97Å; L284-L288 PolarHBondContact O-N 3.07Å; L285-L288 PolarHBondContact O-N 3.42Å; H286-L288 VanDerWaalsContact C-N 3.25Å; H286-L288 PolarHBondContact O-N 2.8Å; L288-L290 VanDerWaalsContact C-N 3.27Å; L288-L290 HydrophobicContact CB-CD1 4.08Å; L288-L290 HydrophobicContact CB-CG 4.16Å; L288-L290 PolarHBondContact O-N 2.86Å; L288-V329 HydrophobicContact CD1-CG2 4.13Å; L288-A332 HydrophobicContact CD1-CB 3.96Å; L288-A332 HydrophobicContact CD2-CB 4Å
289N58.1Low63Low144 Ų14464.4 Ų64.477%0.7735%0.348SS*.THydrogen-bonded Turntrans59.732.3-171.3-89.3-13.3000113.9L285 H286 G287L285-N289 PolarHBondContact O-N 2.92Å; H286-N289 PolarHBondContact O-N 2.89Å; G287-N289 VanDerWaalsContact C-N 3.31Å
290L69.3Low63.8Low4 Ų463.3 Ų63.32%0.02134%0.342CS..  trans-118.333.2-178.3-59.7177.4000112.4L285 L288 Y292 L293 D325 K328 V329L285-L290 CarbonylContact O-C 3.58Å; L285-L290 WeakPolarHBondContact O-CA 3.47Å; L285-L290 PolarHBondContact O-N 3.01Å; L288-L290 VanDerWaalsContact C-N 3.27Å; L288-L290 HydrophobicContact CB-CD1 4.08Å; L288-L290 HydrophobicContact CB-CG 4.16Å; L288-L290 PolarHBondContact O-N 2.86Å; L290-Y292 HydrophobicContact CD2-CE1 4.03Å; L290-Y292 PolarHBondContact O-N 2.79Å; L290-Y292 VanDerWaalsContact O-N 3.08Å; L290-L293 HydrophobicContact CB-CD1 3.8Å; L290-L293 HydrophobicContact CB-CG 4.16Å; L290-L293 HydrophobicContact CD1-CD1 4.02Å; L290-L293 HydrophobicContact CD2-CD1 4.5Å; L290-L293 HydrophobicContact CG-CD1 4.32Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.48Å; L290-L293 PolarHBondContact O-N 3.31Å; L290-D325 HydrophobicContact CD1-CB 3.99Å; L290-D325 HydrophobicContact CD2-CB 3.59Å; L290-D325 WeakPolarHBondContact CD2-OD1 3.39Å; L290-D325 HydrophobicContact CG-CB 4.46Å; L290-K328 HydrophobicContact CD1-CB 4.36Å; L290-V329 HydrophobicContact CD1-CG2 3.56Å
291G60.4Low64.3Low27 Ų2765.6 Ų65.628%0.27836%0.357SS..THydrogen-bonded Turntrans-60.3-21-175.900000115L293 T294G291-L293 PolarHBondContact O-N 3.4Å; G291-T294 VanDerWaalsContact O-CB 3.28Å; G291-T294 WeakPolarHBondContact O-CB 3.5Å; G291-T294 PolarHBondContact O-N 2.98Å; G291-T294 VanDerWaalsContact O-N 3.14Å; G291-T294 PolarHBondContact O-OG1 2.75Å; G291-T294 VanDerWaalsContact O-OG1 3.08Å
292Y72.9Confident64.7Low112 Ų11265.6 Ų65.644%0.43936%0.357SS..Hα-helixtrans-68.2-18.3173.476.4-88.1000113.1L290 T294 I296 D325L290-Y292 HydrophobicContact CD2-CE1 4.03Å; L290-Y292 PolarHBondContact O-N 2.79Å; L290-Y292 VanDerWaalsContact O-N 3.08Å; Y292-T294 VanDerWaalsContact C-N 3.31Å; Y292-I296 HydrophobicContact CD2-CD1 4.34Å; Y292-D325 PolarHBondContact OH-OD2 3.49Å
293L69.6Low64.9Low1 Ų164.8 Ų64.81%0.00536%0.359CS..Hα-helixtrans-79.3-17.9175-59.2-176.9000111.9L285 L290 G291 I296 M297 I320L285-L293 HydrophobicContact CD1-CB 4.27Å; L285-L293 HydrophobicContact CD2-CB 4.3Å; L290-L293 HydrophobicContact CB-CD1 3.8Å; L290-L293 HydrophobicContact CB-CG 4.16Å; L290-L293 HydrophobicContact CD1-CD1 4.02Å; L290-L293 HydrophobicContact CD2-CD1 4.5Å; L290-L293 HydrophobicContact CG-CD1 4.32Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.48Å; L290-L293 PolarHBondContact O-N 3.31Å; G291-L293 PolarHBondContact O-N 3.4Å; L293-I296 HydrophobicContact CD2-CD1 4.14Å; L293-I296 PolarHBondContact O-N 2.88Å; L293-M297 VanDerWaalsContact O-CB 3.28Å; L293-M297 WeakPolarHBondContact O-CB 3.45Å; L293-M297 VanDerWaalsContact O-CG 3.22Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.19Å; L293-I320 HydrophobicContact CB-CD1 4.38Å; L293-I320 HydrophobicContact CD1-CD1 4.16Å; L293-I320 HydrophobicContact CD1-CG2 4.09Å; L293-I320 HydrophobicContact CD2-CB 4.27Å; L293-I320 HydrophobicContact CD2-CD1 3.77Å; L293-I320 HydrophobicContact CD2-CG1 3.7Å; L293-I320 HydrophobicContact CD2-CG2 3.77Å; L293-I320 HydrophobicContact CG-CD1 4.34Å
294T69.1Low64.8Low6 Ų661.7 Ų61.74%0.03734%0.338CS..Hα-helixtrans-62.2-45.9178.6-51.50000110.8E282 G291 Y292 I296 M297 A298E282-T294 HydrophobicContact CB-CG2 3.65Å; E282-T294 HydrophobicContact CG-CG2 3.58Å; G291-T294 VanDerWaalsContact O-CB 3.28Å; G291-T294 WeakPolarHBondContact O-CB 3.5Å; G291-T294 PolarHBondContact O-N 2.98Å; G291-T294 VanDerWaalsContact O-N 3.14Å; G291-T294 PolarHBondContact O-OG1 2.75Å; G291-T294 VanDerWaalsContact O-OG1 3.08Å; Y292-T294 VanDerWaalsContact C-N 3.31Å; T294-I296 PolarHBondContact O-N 3.29Å; T294-M297 PolarHBondContact O-N 3.15Å; T294-A298 VanDerWaalsContact O-CB 3.25Å; T294-A298 WeakPolarHBondContact O-CB 3.32Å; T294-A298 PolarHBondContact O-N 2.93Å
295D69.9Low64.3Low110 Ų11064.2 Ų64.259%0.58836%0.358SS*.Hα-helixtrans-64.7-42.1178.5-64.1-30.6000111.1M297 A298 E299D295-M297 VanDerWaalsContact C-N 3.34Å; D295-M297 PolarHBondContact O-N 3.49Å; D295-A298 PolarHBondContact O-N 2.64Å; D295-E299 WeakPolarHBondContact O-CB 3.5Å; D295-E299 WeakPolarHBondContact O-CG 3.4Å; D295-E299 PolarHBondContact O-N 3.44Å
296I73.8Confident64.2Low43 Ų4369.6 Ų69.622%0.22138%0.379CS..Hα-helixtrans-64.2-41177.3-61.6174.1000110.7Y292 L293 T294 N300 I318 I320Y292-I296 HydrophobicContact CD2-CD1 4.34Å; L293-I296 HydrophobicContact CD2-CD1 4.14Å; L293-I296 PolarHBondContact O-N 2.88Å; T294-I296 PolarHBondContact O-N 3.29Å; I296-N300 PolarHBondContact O-N 2.87Å; I296-N300 PolarHBondContact O-ND2 3.39Å; I296-I318 HydrophobicContact CG2-CG2 3.95Å; I296-I318 WeakPolarHBondContact CG2-O 3.18Å; I296-I320 HydrophobicContact CG2-CG1 4.25Å
297M70.3Confident64.5Low0 Ų063.9 Ų63.90%035%0.352CS..Hα-helixtrans-73-34.2178.8-73.5-172.216700112.4L281 L285 L293 T294 D295 N300 D301 I302 L307 F315 I320L281-M297 HydrophobicContact CD1-SD 4.01Å; L281-M297 HydrophobicContact CD2-CB 4.04Å; L281-M297 HydrophobicContact CD2-SD 4.15Å; L281-M297 HydrophobicContact CG-SD 4.39Å; L285-M297 HydrophobicContact CD1-CG 4.43Å; L285-M297 HydrophobicContact CD1-SD 3.47Å; L285-M297 WeakPolarHBondContact CD1-SD 3.28Å; L285-M297 HydrophobicContact CD2-CE 4.39Å; L285-M297 HydrophobicContact CD2-SD 4.11Å; L285-M297 HydrophobicContact CG-SD 4.32Å; L293-M297 VanDerWaalsContact O-CB 3.28Å; L293-M297 WeakPolarHBondContact O-CB 3.45Å; L293-M297 VanDerWaalsContact O-CG 3.22Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.19Å; T294-M297 PolarHBondContact O-N 3.15Å; D295-M297 VanDerWaalsContact C-N 3.34Å; D295-M297 PolarHBondContact O-N 3.49Å; M297-N300 CarbonylContact O-C 3.39Å; M297-N300 PolarHBondContact O-N 3.39Å; M297-D301 PolarHBondContact O-N 3.37Å; M297-I302 HydrophobicContact CB-CB 4.14Å; M297-I302 HydrophobicContact CB-CD1 4.35Å; M297-I302 HydrophobicContact CG-CB 4.39Å; M297-I302 HydrophobicContact CG-CD1 4.03Å; M297-I302 PolarHBondContact O-N 3.11Å; M297-I302 HydrophobicContact SD-CG2 4.48Å; M297-L307 HydrophobicContact CE-CD1 3.4Å; M297-L307 VanDerWaalsContact CE-CD1 3.4Å; M297-L307 HydrophobicContact SD-CD1 4.23Å; M297-F315 HydrophobicContact CE-CD1 4.36Å; M297-F315 HydrophobicContact CE-CE1 3.89Å; M297-I320 HydrophobicContact CE-CD1 3.73Å; M297-I320 HydrophobicContact CG-CD1 4.45Å
298A70Confident64.6Low40 Ų4064.6 Ų64.633%0.33134%0.339SS..Hα-helixtrans-67.7-42.2173.500000111.6L278 T294 D295 N300 D301L278-A298 HydrophobicContact CD2-CB 3.99Å; T294-A298 VanDerWaalsContact O-CB 3.25Å; T294-A298 WeakPolarHBondContact O-CB 3.32Å; T294-A298 PolarHBondContact O-N 2.93Å; D295-A298 PolarHBondContact O-N 2.64Å; A298-N300 PolarHBondContact O-N 3.2Å; A298-D301 PolarHBondContact O-N 2.83Å
299E74.1Confident64.7Low164 Ų16467.4 Ų67.477%0.76636%0.359SS*.Hα-helixtrans-64.2-28.7175.7-78.2-177.8176.600112.9D295D295-E299 WeakPolarHBondContact O-CB 3.5Å; D295-E299 WeakPolarHBondContact O-CG 3.4Å; D295-E299 PolarHBondContact O-N 3.44Å
300N69.8Low65Low80 Ų8061 Ų6143%0.42832%0.324SS..THydrogen-bonded Turntrans-96.110177.5-71.6-82.4000113.6I296 M297 A298 I302 I318I296-N300 PolarHBondContact O-N 2.87Å; I296-N300 PolarHBondContact O-ND2 3.39Å; M297-N300 CarbonylContact O-C 3.39Å; M297-N300 PolarHBondContact O-N 3.39Å; A298-N300 PolarHBondContact O-N 3.2Å; N300-I302 HydrophobicContact CB-CD1 3.83Å; N300-I302 HydrophobicContact CB-CG1 3.96Å; N300-I302 PolarHBondContact O-N 2.98Å; N300-I302 VanDerWaalsContact O-N 3.17Å; N300-I318 HydrophobicContact CB-CG2 4.25Å
301D63.8Low65Low146 Ų14667.1 Ų67.178%0.78135%0.353SS*.THydrogen-bonded Turntrans51.734.2-178.7-84-34.1000114.1M297 A298 T303M297-D301 PolarHBondContact O-N 3.37Å; A298-D301 PolarHBondContact O-N 2.83Å; D301-T303 PolarHBondContact O-N 2.84Å
302I63.1Low65.3Low12 Ų1270.3 Ų70.36%0.06236%0.359CS..  trans-77.2117.7-176.9-66.3167.2000109.5L281 M297 N300 Y306 L307 M310 I318L281-I302 VanDerWaalsContact CD2-O 3.23Å; L281-I302 WeakPolarHBondContact CD2-O 3.49Å; M297-I302 HydrophobicContact CB-CB 4.14Å; M297-I302 HydrophobicContact CB-CD1 4.35Å; M297-I302 HydrophobicContact CG-CB 4.39Å; M297-I302 HydrophobicContact CG-CD1 4.03Å; M297-I302 PolarHBondContact O-N 3.11Å; M297-I302 HydrophobicContact SD-CG2 4.48Å; N300-I302 HydrophobicContact CB-CD1 3.83Å; N300-I302 HydrophobicContact CB-CG1 3.96Å; N300-I302 PolarHBondContact O-N 2.98Å; N300-I302 VanDerWaalsContact O-N 3.17Å; I302-Y306 HydrophobicContact CG1-CD1 4.19Å; I302-Y306 HydrophobicContact CG2-CD1 4.09Å; I302-L307 HydrophobicContact CG2-CB 4.45Å; I302-M310 HydrophobicContact CG2-SD 4.22Å; I302-I318 HydrophobicContact CD1-CB 4.07Å; I302-I318 HydrophobicContact CD1-CD1 3.2Å; I302-I318 HydrophobicContact CD1-CG1 3.64Å; I302-I318 HydrophobicContact CD1-CG2 3.31Å; I302-I318 HydrophobicContact CG1-CD1 4.08Å
303T59.2Low65Low72 Ų7271.3 Ų71.344%0.44237%0.368SS..  trans-92.6159.3177.252.70000111.2D301 S305 Y306 L307D301-T303 PolarHBondContact O-N 2.84Å; T303-S305 PolarHBondContact O-N 3.15Å; T303-S305 PolarHBondContact OG1-OG 3.43Å; T303-Y306 WeakPolarHBondContact O-CA 3.47Å; T303-Y306 WeakPolarHBondContact O-CB 3.37Å; T303-Y306 PolarHBondContact O-N 2.94Å; T303-L307 PolarHBondContact O-N 3.2Å
304W57.4Low65.1Low72 Ų7272.9 Ų72.927%0.27338%0.376SS..Hα-helixtrans-53.1-41.1177.7-169.9-110.4000113.3L281 L284 Y306 L307 L308L281-W304 HydrophobicContact CB-CE3 4.2Å; L281-W304 HydrophobicContact CD1-CE3 3.66Å; L281-W304 HydrophobicContact CD1-CZ3 3.85Å; L284-W304 HydrophobicContact CB-CH2 3.59Å; L284-W304 HydrophobicContact CB-CZ3 3.63Å; L284-W304 HydrophobicContact CD1-CH2 3.46Å; L284-W304 VanDerWaalsContact CD1-CH2 3.46Å; L284-W304 HydrophobicContact CD1-CZ2 4.33Å; L284-W304 HydrophobicContact CD1-CZ3 4.3Å; L284-W304 HydrophobicContact CD2-CH2 3.64Å; L284-W304 HydrophobicContact CD2-CZ3 3.68Å; L284-W304 HydrophobicContact CG-CH2 3.65Å; L284-W304 HydrophobicContact CG-CZ3 3.99Å; W304-Y306 VanDerWaalsContact C-N 3.32Å; W304-Y306 PolarHBondContact O-N 3.33Å; W304-L307 HydrophobicContact CE3-CD2 4.16Å; W304-L307 HydrophobicContact CZ3-CD2 3.95Å; W304-L307 PolarHBondContact O-N 3.28Å; W304-L308 WeakPolarHBondContact O-CG 3.31Å; W304-L308 PolarHBondContact O-N 3.41Å
305S52.9Low65.3Low81 Ų8172.7 Ų72.757%0.56638%0.375SS*.Hα-helixtrans-64.7-36176.148.70000112.8T303 T309T303-S305 PolarHBondContact O-N 3.15Å; T303-S305 PolarHBondContact OG1-OG 3.43Å; S305-T309 PolarHBondContact O-OG1 3.13Å
306Y57.9Low65.3Low113 Ų11372.9 Ų72.944%0.44337%0.372SS..Hα-helixtrans-69.4-42.9177-165.8-110000110.6I302 T303 W304 L308 T309 M310 I318I302-Y306 HydrophobicContact CG1-CD1 4.19Å; I302-Y306 HydrophobicContact CG2-CD1 4.09Å; T303-Y306 WeakPolarHBondContact O-CA 3.47Å; T303-Y306 WeakPolarHBondContact O-CB 3.37Å; T303-Y306 PolarHBondContact O-N 2.94Å; W304-Y306 VanDerWaalsContact C-N 3.32Å; W304-Y306 PolarHBondContact O-N 3.33Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; Y306-L308 PolarHBondContact O-N 2.93Å; Y306-T309 PolarHBondContact O-N 3.46Å; Y306-T309 PolarHBondContact O-OG1 3.44Å; Y306-M310 HydrophobicContact CD1-CG 4.01Å; Y306-M310 HydrophobicContact CD1-SD 3.89Å; Y306-M310 HydrophobicContact CE1-CG 4.05Å; Y306-M310 HydrophobicContact CE1-SD 4.09Å; Y306-M310 WeakPolarHBondContact O-CG 3.42Å; Y306-M310 PolarHBondContact O-N 3.35Å; Y306-M310 VanDerWaalsContact O-N 3.17Å; Y306-I318 HydrophobicContact CE1-CD1 4.35Å
307L64Low65.2Low2 Ų278.3 Ų78.31%0.0139%0.394CS..Hα-helixtrans-58.3-37.8177.4-171.671.1000113.4L281 L284 M297 I302 T303 W304 T309 M310 F315 V329L281-L307 HydrophobicContact CD1-CD2 3.58Å; L284-L307 HydrophobicContact CD2-CD2 4.31Å; M297-L307 HydrophobicContact CE-CD1 3.4Å; M297-L307 VanDerWaalsContact CE-CD1 3.4Å; M297-L307 HydrophobicContact SD-CD1 4.23Å; I302-L307 HydrophobicContact CG2-CB 4.45Å; T303-L307 PolarHBondContact O-N 3.2Å; W304-L307 HydrophobicContact CE3-CD2 4.16Å; W304-L307 HydrophobicContact CZ3-CD2 3.95Å; W304-L307 PolarHBondContact O-N 3.28Å; L307-T309 PolarHBondContact O-N 3.45Å; L307-M310 HydrophobicContact CD1-SD 4Å; L307-M310 PolarHBondContact O-N 3.06Å; L307-F315 HydrophobicContact CD1-CE1 3.59Å; L307-F315 HydrophobicContact CD1-CZ 3.71Å; L307-V329 HydrophobicContact CD1-CG1 4.06Å; L307-V329 HydrophobicContact CD2-CG1 4.19Å; L307-V329 HydrophobicContact CG-CG1 4.37Å
308L56.4Low65.1Low83 Ų8379.2 Ų79.244%0.43540%0.399SS..THydrogen-bonded Turntrans-66.8-19.8177.8-68.9172.5000113.4W304 Y306 V333W304-L308 WeakPolarHBondContact O-CG 3.31Å; W304-L308 PolarHBondContact O-N 3.41Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; Y306-L308 PolarHBondContact O-N 2.93Å; L308-V333 HydrophobicContact CD2-CG1 3.7Å; L308-V333 HydrophobicContact CD2-CG2 4.26Å
309T57.8Low64.7Low104 Ų10479.4 Ų79.464%0.63841%0.405SS*.THydrogen-bonded Turntrans-106.2-2.3-179.657.10000113.6S305 Y306 L307S305-T309 PolarHBondContact O-OG1 3.13Å; Y306-T309 PolarHBondContact O-N 3.46Å; Y306-T309 PolarHBondContact O-OG1 3.44Å; L307-T309 PolarHBondContact O-N 3.45Å
310M63.4Low64.5Low9 Ų971.8 Ų71.84%0.04437%0.369CS..  trans-75.7133.2-176.4-82177.166.100112I302 Y306 L307 D314 F315 I318I302-M310 HydrophobicContact CG2-SD 4.22Å; Y306-M310 HydrophobicContact CD1-CG 4.01Å; Y306-M310 HydrophobicContact CD1-SD 3.89Å; Y306-M310 HydrophobicContact CE1-CG 4.05Å; Y306-M310 HydrophobicContact CE1-SD 4.09Å; Y306-M310 WeakPolarHBondContact O-CG 3.42Å; Y306-M310 PolarHBondContact O-N 3.35Å; Y306-M310 VanDerWaalsContact O-N 3.17Å; L307-M310 HydrophobicContact CD1-SD 4Å; L307-M310 PolarHBondContact O-N 3.06Å; M310-D314 HydrophobicContact CB-CB 4.35Å; M310-D314 HydrophobicContact CE-CB 3.91Å; M310-D314 HydrophobicContact CG-CB 4.15Å; M310-F315 HydrophobicContact CB-CD2 4.4Å; M310-F315 HydrophobicContact CB-CE2 3.71Å; M310-F315 HydrophobicContact CB-CZ 3.9Å; M310-F315 HydrophobicContact CE-CB 4.32Å; M310-F315 HydrophobicContact CE-CD1 3.52Å; M310-F315 HydrophobicContact CE-CD2 3.89Å; M310-F315 HydrophobicContact CE-CE1 3.63Å; M310-F315 HydrophobicContact CE-CE2 3.98Å; M310-F315 HydrophobicContact CE-CG 3.66Å; M310-F315 HydrophobicContact CE-CZ 3.85Å; M310-F315 HydrophobicContact SD-CE1 4.29Å; M310-F315 HydrophobicContact SD-CZ 4.31Å; M310-I318 HydrophobicContact CE-CD1 3.27Å; M310-I318 HydrophobicContact SD-CD1 3.91Å
311E68.8Low64.6Low132 Ų13273.4 Ų73.462%0.61738%0.382SS*.  trans-93.4167.5169.1-64-170.7175.800110.7E313 D314 F315E311-E313 PolarHBondContact O-N 2.86Å; E311-E313 VanDerWaalsContact O-N 3.08Å; E311-D314 PolarHBondContact N-OD2 3.42Å; E311-D314 WeakPolarHBondContact O-CB 3.15Å; E311-D314 PolarHBondContact O-N 3.14Å; E311-F315 VanDerWaalsContact O-CD2 3.24Å; E311-F315 WeakPolarHBondContact O-CD2 3.47Å
312K66.5Low65.2Low95 Ų9569.6 Ų69.641%0.41336%0.361SS..Hα-helixtrans-54.6-33.5-177-166178.5177.2-177.90112.8D314 F315 Q326 L330K312-D314 VanDerWaalsContact C-N 3.29Å; K312-D314 PolarHBondContact O-N 3.11Å; K312-F315 PolarHBondContact O-N 3.25Å; K312-Q326 VanDerWaalsContact CG-OE1 3.27Å; K312-L330 HydrophobicContact CB-CD1 4.37Å
313E66.8Low65.5Low133 Ų13372.3 Ų72.362%0.62138%0.38SS*.Hα-helixtrans-68.9-25.6179.2-57.5-179.4-177.700113E311E311-E313 PolarHBondContact O-N 2.86Å; E311-E313 VanDerWaalsContact O-N 3.08Å
314D73Confident66Low34 Ų3472.8 Ų72.818%0.18238%0.382CS..Hα-helixtrans-81-31.8180-60.4-43.4000111.6M310 E311 K312 E316 K317 I318M310-D314 HydrophobicContact CB-CB 4.35Å; M310-D314 HydrophobicContact CE-CB 3.91Å; M310-D314 HydrophobicContact CG-CB 4.15Å; E311-D314 PolarHBondContact N-OD2 3.42Å; E311-D314 WeakPolarHBondContact O-CB 3.15Å; E311-D314 PolarHBondContact O-N 3.14Å; K312-D314 VanDerWaalsContact C-N 3.29Å; K312-D314 PolarHBondContact O-N 3.11Å; D314-E316 VanDerWaalsContact C-N 3.25Å; D314-E316 PolarHBondContact O-N 2.98Å; D314-K317 PolarHBondContact O-N 3.05Å; D314-K317 IonicContact OD1-NZ 3.51Å; D314-K317 PolarHBondContact OD1-NZ 3.27Å; D314-I318 VanDerWaalsContact O-CD1 3.3Å; D314-I318 WeakPolarHBondContact O-CD1 3.37Å; D314-I318 WeakPolarHBondContact O-CG1 3.3Å; D314-I318 PolarHBondContact O-N 2.9Å
315F71.6Confident66.6Low2 Ų270 Ų701%0.00937%0.373CS..Hα-helixtrans-61.5-35.7172.3-70.9-80.6000112.2M297 L307 M310 E311 K312 I318 G319 I320 Q326 V329 L330M297-F315 HydrophobicContact CE-CD1 4.36Å; M297-F315 HydrophobicContact CE-CE1 3.89Å; L307-F315 HydrophobicContact CD1-CE1 3.59Å; L307-F315 HydrophobicContact CD1-CZ 3.71Å; M310-F315 HydrophobicContact CB-CD2 4.4Å; M310-F315 HydrophobicContact CB-CE2 3.71Å; M310-F315 HydrophobicContact CB-CZ 3.9Å; M310-F315 HydrophobicContact CE-CB 4.32Å; M310-F315 HydrophobicContact CE-CD1 3.52Å; M310-F315 HydrophobicContact CE-CD2 3.89Å; M310-F315 HydrophobicContact CE-CE1 3.63Å; M310-F315 HydrophobicContact CE-CE2 3.98Å; M310-F315 HydrophobicContact CE-CG 3.66Å; M310-F315 HydrophobicContact CE-CZ 3.85Å; M310-F315 HydrophobicContact SD-CE1 4.29Å; M310-F315 HydrophobicContact SD-CZ 4.31Å; E311-F315 VanDerWaalsContact O-CD2 3.24Å; E311-F315 WeakPolarHBondContact O-CD2 3.47Å; K312-F315 PolarHBondContact O-N 3.25Å; F315-I318 PolarHBondContact O-N 3.42Å; F315-G319 PolarHBondContact O-N 3.48Å; F315-I320 CarbonylContact C-O 3.59Å; F315-I320 HydrophobicContact CB-CB 4.3Å; F315-I320 HydrophobicContact CD1-CD1 4.04Å; F315-I320 WeakPolarHBondContact O-CB 3.3Å; F315-I320 PolarHBondContact O-N 3.13Å; F315-Q326 HydrophobicContact CB-CG 3.8Å; F315-Q326 HydrophobicContact CG-CG 4.21Å; F315-V329 HydrophobicContact CE1-CG1 4.11Å; F315-V329 HydrophobicContact CZ-CG1 4.07Å; F315-L330 HydrophobicContact CE2-CD1 4.41Å; F315-L330 HydrophobicContact CE2-CD2 3.91Å; F315-L330 HydrophobicContact CE2-CG 4.05Å; F315-L330 HydrophobicContact CZ-CD2 4.49Å
316E71.3Confident67.5Low114 Ų11466.2 Ų66.253%0.53335%0.346SS..Hα-helixtrans-67.8-36.9176.7-65.9-176.8-179.400112.1D314 I318 G319D314-E316 VanDerWaalsContact C-N 3.25Å; D314-E316 PolarHBondContact O-N 2.98Å; E316-I318 PolarHBondContact O-N 3.22Å; E316-G319 PolarHBondContact O-N 3.5Å
317K70.9Confident67.9Low157 Ų15765.4 Ų65.468%0.68335%0.347SS*.Hα-helixtrans-66.1-28176.7-66.6171.9-163.2152.90113D314 G319D314-K317 PolarHBondContact O-N 3.05Å; D314-K317 IonicContact OD1-NZ 3.51Å; D314-K317 PolarHBondContact OD1-NZ 3.27Å; K317-G319 VanDerWaalsContact C-N 3.3Å
318I67.7Low68.2Low19 Ų1969.5 Ų69.510%0.09736%0.364CS..THydrogen-bonded Turntrans-87.4-3.5-179-71.3156.7000111.5I296 N300 I302 Y306 M310 D314 F315 E316 I320I296-I318 HydrophobicContact CG2-CG2 3.95Å; I296-I318 WeakPolarHBondContact CG2-O 3.18Å; N300-I318 HydrophobicContact CB-CG2 4.25Å; I302-I318 HydrophobicContact CD1-CB 4.07Å; I302-I318 HydrophobicContact CD1-CD1 3.2Å; I302-I318 HydrophobicContact CD1-CG1 3.64Å; I302-I318 HydrophobicContact CD1-CG2 3.31Å; I302-I318 HydrophobicContact CG1-CD1 4.08Å; Y306-I318 HydrophobicContact CE1-CD1 4.35Å; M310-I318 HydrophobicContact CE-CD1 3.27Å; M310-I318 HydrophobicContact SD-CD1 3.91Å; D314-I318 VanDerWaalsContact O-CD1 3.3Å; D314-I318 WeakPolarHBondContact O-CD1 3.37Å; D314-I318 WeakPolarHBondContact O-CG1 3.3Å; D314-I318 PolarHBondContact O-N 2.9Å; F315-I318 PolarHBondContact O-N 3.42Å; E316-I318 PolarHBondContact O-N 3.22Å; I318-I320 HydrophobicContact CG2-CD1 4.2Å; I318-I320 HydrophobicContact CG2-CG1 4.28Å
319G63.2Low68.6Low44 Ų4465.6 Ų65.645%0.45434%0.344SS..THydrogen-bonded Turntrans94.97.3176.500000114.4F315 E316 K317 T321F315-G319 PolarHBondContact O-N 3.48Å; E316-G319 PolarHBondContact O-N 3.5Å; K317-G319 VanDerWaalsContact C-N 3.3Å; G319-T321 PolarHBondContact O-N 3.4Å
320I69.7Low69Low3 Ų361.9 Ų61.92%0.01532%0.32CS..  trans-91.195178.3-51.4179.9000108L293 I296 M297 F315 I318 Q326L293-I320 HydrophobicContact CB-CD1 4.38Å; L293-I320 HydrophobicContact CD1-CD1 4.16Å; L293-I320 HydrophobicContact CD1-CG2 4.09Å; L293-I320 HydrophobicContact CD2-CB 4.27Å; L293-I320 HydrophobicContact CD2-CD1 3.77Å; L293-I320 HydrophobicContact CD2-CG1 3.7Å; L293-I320 HydrophobicContact CD2-CG2 3.77Å; L293-I320 HydrophobicContact CG-CD1 4.34Å; I296-I320 HydrophobicContact CG2-CG1 4.25Å; M297-I320 HydrophobicContact CE-CD1 3.73Å; M297-I320 HydrophobicContact CG-CD1 4.45Å; F315-I320 CarbonylContact C-O 3.59Å; F315-I320 HydrophobicContact CB-CB 4.3Å; F315-I320 HydrophobicContact CD1-CD1 4.04Å; F315-I320 WeakPolarHBondContact O-CB 3.3Å; F315-I320 PolarHBondContact O-N 3.13Å; I318-I320 HydrophobicContact CG2-CD1 4.2Å; I318-I320 HydrophobicContact CG2-CG1 4.28Å; I320-Q326 HydrophobicContact CG2-CG 4.1Å; I320-Q326 PolarHBondContact O-NE2 3.38Å
321T71.3Confident69Low115 Ų11563.8 Ų63.871%0.70633%0.334SS*.  trans-97.9-8.1-17152.10000114.2G319 P323G319-T321 PolarHBondContact O-N 3.4Å; T321-P323 VanDerWaalsContact O-CD 3.32Å; T321-P323 WeakPolarHBondContact O-CD 3.39Å
322N75.8Confident68.5Low65 Ų6558.2 Ų58.235%0.34831%0.311SS..  trans-84.6112-178.7-173-6.2000111.5V324 D325 Q326N322-V324 VanDerWaalsContact C-N 3.26Å; N322-V324 PolarHBondContact O-N 3.31Å; N322-V324 PolarHBondContact OD1-N 3.47Å; N322-D325 HydrophobicContact CB-CB 4.23Å; N322-D325 PolarHBondContact ND2-OD2 3.03Å; N322-D325 PolarHBondContact O-N 3.15Å; N322-D325 VanDerWaalsContact O-N 3.16Å; N322-Q326 WeakPolarHBondContact O-CG 3.5Å; N322-Q326 PolarHBondContact O-N 3.23Å; N322-Q326 VanDerWaalsContact O-N 3.12Å
323P69.8Low68.1Low69 Ų6954.6 Ų54.645%0.44830%0.297SS..Hα-helixtrans-67.9-23.6-173.927.8-36000113.6T321 Q327T321-P323 VanDerWaalsContact O-CD 3.32Å; T321-P323 WeakPolarHBondContact O-CD 3.39Å; P323-Q327 WeakPolarHBondContact O-CB 3.34Å; P323-Q327 PolarHBondContact O-N 3.39Å; P323-Q327 VanDerWaalsContact O-N 3.09Å
324V69.3Low67.5Low82 Ų8254.2 Ų54.250%0.49730%0.295SS..Hα-helixtrans-71.3-37.4177.1177.80000110.6N322 Q327 K328N322-V324 VanDerWaalsContact C-N 3.26Å; N322-V324 PolarHBondContact O-N 3.31Å; N322-V324 PolarHBondContact OD1-N 3.47Å; V324-Q327 PolarHBondContact O-N 3.36Å; V324-K328 WeakPolarHBondContact O-CG 3.07Å; V324-K328 PolarHBondContact O-N 3.39Å; V324-K328 VanDerWaalsContact O-N 3.07Å
325D71.1Confident66.4Low14 Ų1460.5 Ų60.58%0.07532%0.323CS..Hα-helixtrans-78.5-39.1-177.2-63.6-17.8000110.4L290 Y292 N322 Q327 K328 V329L290-D325 HydrophobicContact CD1-CB 3.99Å; L290-D325 HydrophobicContact CD2-CB 3.59Å; L290-D325 WeakPolarHBondContact CD2-OD1 3.39Å; L290-D325 HydrophobicContact CG-CB 4.46Å; Y292-D325 PolarHBondContact OH-OD2 3.49Å; N322-D325 HydrophobicContact CB-CB 4.23Å; N322-D325 PolarHBondContact ND2-OD2 3.03Å; N322-D325 PolarHBondContact O-N 3.15Å; N322-D325 VanDerWaalsContact O-N 3.16Å; D325-Q327 VanDerWaalsContact C-N 3.32Å; D325-Q327 PolarHBondContact O-N 3.24Å; D325-K328 PolarHBondContact O-N 3.27Å; D325-K328 IonicContact OD1-NZ 2.79Å; D325-K328 PolarHBondContact OD1-NZ 2.78Å; D325-V329 WeakPolarHBondContact O-CG2 3.44Å; D325-V329 PolarHBondContact O-N 3.24Å; D325-V329 VanDerWaalsContact O-N 3.11Å
326Q71.4Confident65.4Low1 Ų165.6 Ų65.61%0.00535%0.348CS..Hα-helixtrans-54.8-47.1167.6-67.2176.2-12.800111.8K312 F315 I320 N322 K328 V329 L330K312-Q326 VanDerWaalsContact CG-OE1 3.27Å; F315-Q326 HydrophobicContact CB-CG 3.8Å; F315-Q326 HydrophobicContact CG-CG 4.21Å; I320-Q326 HydrophobicContact CG2-CG 4.1Å; I320-Q326 PolarHBondContact O-NE2 3.38Å; N322-Q326 WeakPolarHBondContact O-CG 3.5Å; N322-Q326 PolarHBondContact O-N 3.23Å; N322-Q326 VanDerWaalsContact O-N 3.12Å; Q326-K328 PolarHBondContact O-N 3.06Å; Q326-V329 PolarHBondContact O-N 2.72Å; Q326-L330 WeakPolarHBondContact O-CB 3.41Å; Q326-L330 WeakPolarHBondContact O-CG 3.47Å; Q326-L330 PolarHBondContact O-N 3.34Å
327Q66.4Low64.2Low97 Ų9766.8 Ų66.845%0.45335%0.353SS..Hα-helixtrans-67.6-35.2-178.3-169.364.729.500112.4P323 V324 D325 L330 S331P323-Q327 WeakPolarHBondContact O-CB 3.34Å; P323-Q327 PolarHBondContact O-N 3.39Å; P323-Q327 VanDerWaalsContact O-N 3.09Å; V324-Q327 PolarHBondContact O-N 3.36Å; D325-Q327 VanDerWaalsContact C-N 3.32Å; D325-Q327 PolarHBondContact O-N 3.24Å; Q327-L330 PolarHBondContact O-N 3.16Å; Q327-S331 WeakPolarHBondContact O-CB 3.42Å; Q327-S331 PolarHBondContact O-N 3.42Å; Q327-S331 PolarHBondContact O-OG 3.29Å
328K69.1Low62.6Low87 Ų8766.3 Ų66.338%0.37836%0.358SS..Hα-helixtrans-63-46.9174.9-76.1169.6-173.6164.30111.3L290 V324 D325 Q326 S331 A332L290-K328 HydrophobicContact CD1-CB 4.36Å; V324-K328 WeakPolarHBondContact O-CG 3.07Å; V324-K328 PolarHBondContact O-N 3.39Å; V324-K328 VanDerWaalsContact O-N 3.07Å; D325-K328 PolarHBondContact O-N 3.27Å; D325-K328 IonicContact OD1-NZ 2.79Å; D325-K328 PolarHBondContact OD1-NZ 2.78Å; Q326-K328 PolarHBondContact O-N 3.06Å; K328-S331 PolarHBondContact O-N 3.36Å; K328-S331 PolarHBondContact O-OG 2.59Å; K328-A332 WeakPolarHBondContact O-CB 3.34Å; K328-A332 PolarHBondContact O-N 2.73Å
329V66.1Low61.1Low1 Ų173.4 Ų73.41%0.00640%0.396CS..Hα-helixtrans-61.4-48.3176.7177.80000110.3L285 L288 L290 L307 F315 D325 Q326 S331 A332 V333L285-V329 HydrophobicContact CD2-CG2 4.17Å; L288-V329 HydrophobicContact CD1-CG2 4.13Å; L290-V329 HydrophobicContact CD1-CG2 3.56Å; L307-V329 HydrophobicContact CD1-CG1 4.06Å; L307-V329 HydrophobicContact CD2-CG1 4.19Å; L307-V329 HydrophobicContact CG-CG1 4.37Å; F315-V329 HydrophobicContact CE1-CG1 4.11Å; F315-V329 HydrophobicContact CZ-CG1 4.07Å; D325-V329 WeakPolarHBondContact O-CG2 3.44Å; D325-V329 PolarHBondContact O-N 3.24Å; D325-V329 VanDerWaalsContact O-N 3.11Å; Q326-V329 PolarHBondContact O-N 2.72Å; V329-S331 PolarHBondContact O-N 2.83Å; V329-A332 PolarHBondContact O-N 3.03Å; V329-V333 WeakPolarHBondContact O-CB 3.46Å; V329-V333 VanDerWaalsContact O-CG2 3.26Å; V329-V333 WeakPolarHBondContact O-CG2 3.47Å; V329-V333 PolarHBondContact O-N 3.38Å
330L66.7Low60Low27 Ų2778.2 Ų78.214%0.14140%0.404CS..Hα-helixtrans-63.2-41.1178.2-75170.6000113.2K312 F315 Q326 Q327 V333 Q334K312-L330 HydrophobicContact CB-CD1 4.37Å; F315-L330 HydrophobicContact CE2-CD1 4.41Å; F315-L330 HydrophobicContact CE2-CD2 3.91Å; F315-L330 HydrophobicContact CE2-CG 4.05Å; F315-L330 HydrophobicContact CZ-CD2 4.49Å; Q326-L330 WeakPolarHBondContact O-CB 3.41Å; Q326-L330 WeakPolarHBondContact O-CG 3.47Å; Q326-L330 PolarHBondContact O-N 3.34Å; Q327-L330 PolarHBondContact O-N 3.16Å; L330-V333 PolarHBondContact O-N 2.77Å; L330-Q334 WeakPolarHBondContact O-CB 3.25Å; L330-Q334 VanDerWaalsContact O-CG 3.28Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 2.82Å
331S62.3Low58.5Low48 Ų4883.5 Ų83.534%0.33644%0.437SS..Hα-helixtrans-68.8-36.3178.866.40000112.7Q327 K328 V329 Q334 Q335Q327-S331 WeakPolarHBondContact O-CB 3.42Å; Q327-S331 PolarHBondContact O-N 3.42Å; Q327-S331 PolarHBondContact O-OG 3.29Å; K328-S331 PolarHBondContact O-N 3.36Å; K328-S331 PolarHBondContact O-OG 2.59Å; V329-S331 PolarHBondContact O-N 2.83Å; S331-Q334 PolarHBondContact O-N 3.19Å; S331-Q335 WeakPolarHBondContact O-CG 3.3Å; S331-Q335 PolarHBondContact O-N 2.79Å
332A57.7Low57Low15 Ų1582.7 Ų82.712%0.12443%0.428CS..Hα-helixtrans-66.9-40173.900000111L288 K328 V329 M336L288-A332 HydrophobicContact CD1-CB 3.96Å; L288-A332 HydrophobicContact CD2-CB 4Å; K328-A332 WeakPolarHBondContact O-CB 3.34Å; K328-A332 PolarHBondContact O-N 2.73Å; V329-A332 PolarHBondContact O-N 3.03Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 2.77Å
333V59.3Low55.3Low20 Ų2085 Ų8512%0.12144%0.439CS..Hα-helixtrans-65.2-38.4173.2168.90000111.7L308 V329 L330 M336L308-V333 HydrophobicContact CD2-CG1 3.7Å; L308-V333 HydrophobicContact CD2-CG2 4.26Å; V329-V333 WeakPolarHBondContact O-CB 3.46Å; V329-V333 VanDerWaalsContact O-CG2 3.26Å; V329-V333 WeakPolarHBondContact O-CG2 3.47Å; V329-V333 PolarHBondContact O-N 3.38Å; L330-V333 PolarHBondContact O-N 2.77Å; V333-M336 WeakPolarHBondContact O-CB 3.43Å; V333-M336 PolarHBondContact O-N 3.47Å
334Q54.4Low53.8Low124 Ų12488.7 Ų88.758%0.57946%0.456SS*.Hα-helixtrans-74-34.7178.6-76.2176.2-12.400113.8L330 S331 M336 H337L330-Q334 WeakPolarHBondContact O-CB 3.25Å; L330-Q334 VanDerWaalsContact O-CG 3.28Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 2.82Å; S331-Q334 PolarHBondContact O-N 3.19Å; Q334-M336 PolarHBondContact O-N 2.97Å; Q334-H337 WeakPolarHBondContact O-CB 3.3Å; Q334-H337 PolarHBondContact O-N 3.19Å
335Q49.8Very low52.4Low167 Ų16794 Ų9478%0.7847%0.472SS*.Hα-helixtrans-65.5-20173.6-81.1-170.7-18.300112.8S331 H337S331-Q335 WeakPolarHBondContact O-CG 3.3Å; S331-Q335 PolarHBondContact O-N 2.79Å; Q335-H337 PolarHBondContact O-N 3.32Å
336M49.4Very low51Low109 Ų10997.5 Ų97.554%0.53749%0.49SS..THydrogen-bonded Turntrans-76.24.5170.1-64.1177.1-177.200113.5L284 A332 V333 Q334L284-M336 HydrophobicContact CD1-CE 3.7Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 2.77Å; V333-M336 WeakPolarHBondContact O-CB 3.43Å; V333-M336 PolarHBondContact O-N 3.47Å; Q334-M336 PolarHBondContact O-N 2.97Å
337H46.4Very low49.4Very low138 Ų138106 Ų10664%0.63953%0.53SS*.THydrogen-bonded Turntrans-118.812.9-169.6-141.2-61.2000117.1Q334 Q335Q334-H337 WeakPolarHBondContact O-CB 3.3Å; Q334-H337 PolarHBondContact O-N 3.19Å; Q335-H337 PolarHBondContact O-N 3.32Å
338L37.4Very low48.2Very low148 Ų148108.7 Ų108.778%0.77555%0.546SS*.  trans-141.2119.8172.8-76.6150000108
339D36.2Very low46.5Very low167 Ų167107.3 Ų107.389%0.89356%0.556SS**  cis-105.9114.343.2-75.3-40.2000115.3V341D339-V341 PolarHBondContact O-N 2.99Å
340K40.9Very low45.3Very low146 Ų146114.6 Ų114.664%0.63560%0.601SS**  trans-85105.5171.8-155.1-176.2-173.3-163.40107.2D342K340-D342 PolarHBondContact O-N 3.24Å; K340-D342 VanDerWaalsContact O-N 3.09Å
341V37.2Very low44.1Very low114 Ų114115.7 Ų115.769%0.69162%0.619SS**  trans-62.9110.3158.2176.80000105.6D339 L343D339-V341 PolarHBondContact O-N 2.99Å; V341-L343 PolarHBondContact O-N 3.11Å
342D40.8Very low43.1Very low98 Ų98122.8 Ų122.852%0.52465%0.647SS.*  trans-67.597.7177-106.8-17.1000108.9K340 D344K340-D342 PolarHBondContact O-N 3.24Å; K340-D342 VanDerWaalsContact O-N 3.09Å; D342-D344 PolarHBondContact O-N 3.48Å; D342-D344 VanDerWaalsContact O-N 3.16Å
343L40.3Very low42.4Very low112 Ų112126.8 Ų126.859%0.58667%0.666SS**G310 helixtrans-63.9-11.2178.4-74.2154.4000113V341 K345 I346V341-L343 PolarHBondContact O-N 3.11Å; L343-K345 PolarHBondContact O-N 3.08Å; L343-I346 PolarHBondContact O-N 3.39Å
344D37.2Very low41.6Very low148 Ų148127.9 Ų127.979%0.79168%0.681SS**G310 helixtrans-73-9.7180-69.3-22.4000114.1D342D342-D344 PolarHBondContact O-N 3.48Å; D342-D344 VanDerWaalsContact O-N 3.16Å
345K40.5Very low41.1Very low193 Ų193126 Ų12684%0.83968%0.681SS**G310 helixtrans-95.4-11.1176.4-86.6-176.5179.41740115.1L343 Q347L343-K345 PolarHBondContact O-N 3.08Å; K345-Q347 PolarHBondContact O-N 3.27Å
346I41.7Very low40.7Very low88 Ų88123.3 Ų123.345%0.45167%0.668SS.*  trans-86.974.3176.4-51.7179000107.8L343 L348L343-I346 PolarHBondContact O-N 3.39Å; I346-L348 PolarHBondContact O-N 3.08Å; I346-L348 VanDerWaalsContact O-N 3.14Å
347Q37.7Very low40.4Very low180 Ų180122.2 Ų122.284%0.84167%0.665SS**  trans-66.6109162.3-83.1175.7-17.600107.3K345 G349K345-Q347 PolarHBondContact O-N 3.27Å; Q347-G349 PolarHBondContact O-N 3.41Å
348L41.6Very low40.3Very low152 Ų152119.7 Ų119.780%0.79666%0.656SS**  trans-63.282.1162.5-91.5102.8000108.6I346 T350I346-L348 PolarHBondContact O-N 3.08Å; I346-L348 VanDerWaalsContact O-N 3.14Å; L348-T350 PolarHBondContact O-N 3.31Å
349G33Very low40.5Very low58 Ų58118 Ų11860%0.59864%0.644SS**  trans-68.6118.2159.800000107.5Q347 G351Q347-G349 PolarHBondContact O-N 3.41Å; G349-G351 PolarHBondContact O-N 3.18Å
350T41.2Very low40.9Very low154 Ų154114.6 Ų114.695%0.94563%0.626SS**SBendtrans-44.898.8167.5450000110.5L348L348-T350 PolarHBondContact O-N 3.31Å
351G40.4Very low41.1Very low50 Ų50110.7 Ų110.752%0.51561%0.609SS.*SBendtrans173.6149.5-17700000109.7G349 N353G349-G351 PolarHBondContact O-N 3.18Å; G351-N353 PolarHBondContact O-N 2.88Å
352E42.3Very low41.4Very low197 Ų197109.2 Ų109.292%0.92160%0.596SS**THydrogen-bonded Turntrans-56.74.6-164.1-63.9173.4142.500117
353N42.6Very low41.6Very low100 Ų100107.8 Ų107.854%0.53559%0.588SS.*THydrogen-bonded Turntrans-90.7-8-177.8-86.343.5000115.9G351 C355 E356 D357G351-N353 PolarHBondContact O-N 2.88Å; N353-C355 PolarHBondContact O-N 3.49Å; N353-C355 VanDerWaalsContact O-N 3.11Å; N353-E356 PolarHBondContact O-N 3.26Å; N353-E356 VanDerWaalsContact O-N 3.1Å; N353-D357 PolarHBondContact O-N 2.97Å
354G43.8Very low41.8Very low42 Ų42105.2 Ų105.243%0.43358%0.58SS.*Hα-helixtrans-62.7-19.817800000114.3L358G354-L358 WeakPolarHBondContact O-CB 3.48Å; G354-L358 PolarHBondContact O-N 2.64Å
355C43.4Very low42.2Very low85 Ų8599 Ų9957%0.57455%0.547SS*.Hα-helixtrans-75.5-36.5175.8-159.90000111.9N353 Q359N353-C355 PolarHBondContact O-N 3.49Å; N353-C355 VanDerWaalsContact O-N 3.11Å; C355-Q359 WeakPolarHBondContact O-CB 3.28Å; C355-Q359 PolarHBondContact O-N 3.27Å
356E41.3Very low42.3Very low111 Ų11196.7 Ų96.752%0.51953%0.533SS..Hα-helixtrans-70.4-38178.1-71.3-173.7157.400111.3N353 Q359 N360N353-E356 PolarHBondContact O-N 3.26Å; N353-E356 VanDerWaalsContact O-N 3.1Å; E356-Q359 PolarHBondContact O-N 3.34Å; E356-N360 VanDerWaalsContact O-CB 3.31Å; E356-N360 WeakPolarHBondContact O-CB 3.22Å; E356-N360 PolarHBondContact O-N 3.45Å; E356-N360 PolarHBondContact O-ND2 3.21Å; E356-N360 VanDerWaalsContact O-ND2 3.09Å
357D43Very low42.5Very low86 Ų8698.4 Ų98.446%0.4654%0.539SS..Hα-helixtrans-70-38176.5-68.5-29.3000112.3N353 N360 F361N353-D357 PolarHBondContact O-N 2.97Å; D357-N360 PolarHBondContact O-N 3.3Å; D357-F361 WeakPolarHBondContact O-CB 3.49Å; D357-F361 PolarHBondContact O-N 3.18Å
358L44.1Very low42.8Very low85 Ų8593.4 Ų93.445%0.44552%0.516SS..Hα-helixtrans-68.1-36.6171.6-174.967.1000111.7G354 F361 L362 L421G354-L358 WeakPolarHBondContact O-CB 3.48Å; G354-L358 PolarHBondContact O-N 2.64Å; L358-F361 PolarHBondContact O-N 3.11Å; L358-L362 HydrophobicContact CG-CD1 4.26Å; L358-L362 WeakPolarHBondContact O-CB 3.14Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.31Å; L358-L362 PolarHBondContact O-N 3.04Å; L358-L421 HydrophobicContact CD1-CD1 4.42Å
359Q40.5Very low42.9Very low112 Ų11288 Ų8852%0.52349%0.49SS..Hα-helixtrans-69.6-36.4176-170.7170.73.700111.3C355 E356 L362 L363C355-Q359 WeakPolarHBondContact O-CB 3.28Å; C355-Q359 PolarHBondContact O-N 3.27Å; E356-Q359 PolarHBondContact O-N 3.34Å; Q359-L362 PolarHBondContact O-N 3.18Å; Q359-L363 HydrophobicContact CG-CD1 4.33Å; Q359-L363 VanDerWaalsContact O-CB 3.27Å; Q359-L363 WeakPolarHBondContact O-CB 3.27Å; Q359-L363 WeakPolarHBondContact O-CD1 3.48Å; Q359-L363 WeakPolarHBondContact O-CG 3.44Å; Q359-L363 PolarHBondContact O-N 2.73Å
360N44.5Very low43.4Very low96 Ų9688.1 Ų88.151%0.51348%0.481SS..Hα-helixtrans-67.9-39171.6-73.6-31.7000111.7E356 D357 L363 S364E356-N360 VanDerWaalsContact O-CB 3.31Å; E356-N360 WeakPolarHBondContact O-CB 3.22Å; E356-N360 PolarHBondContact O-N 3.45Å; E356-N360 PolarHBondContact O-ND2 3.21Å; E356-N360 VanDerWaalsContact O-ND2 3.09Å; D357-N360 PolarHBondContact O-N 3.3Å; N360-L363 PolarHBondContact O-N 3.26Å; N360-S364 WeakPolarHBondContact O-CB 3.47Å; N360-S364 PolarHBondContact O-N 2.95Å
361F46.5Very low43.4Very low64 Ų6487.1 Ų87.128%0.28146%0.461SS..Hα-helixtrans-61.8-50171.8-179.6-105.5000111.1D357 L358 L363 S364 V365 L421D357-F361 WeakPolarHBondContact O-CB 3.49Å; D357-F361 PolarHBondContact O-N 3.18Å; L358-F361 PolarHBondContact O-N 3.11Å; F361-L363 VanDerWaalsContact C-N 3.32Å; F361-L363 PolarHBondContact O-N 3Å; F361-S364 WeakPolarHBondContact O-CA 3.22Å; F361-S364 WeakPolarHBondContact O-CB 3.45Å; F361-S364 PolarHBondContact O-N 2.07Å; F361-V365 HydrophobicContact CD1-CG2 4.28Å; F361-V365 HydrophobicContact CE1-CG2 3.96Å; F361-V365 HydrophobicContact CE2-CG2 4.33Å; F361-V365 HydrophobicContact CZ-CG2 3.99Å; F361-V365 WeakPolarHBondContact O-CG2 3.47Å; F361-V365 PolarHBondContact O-N 3.24Å; F361-L421 HydrophobicContact CD1-CD1 3.99Å; F361-L421 HydrophobicContact CE1-CB 4.39Å; F361-L421 HydrophobicContact CE1-CD1 3.64Å
362L43.9Very low43.4Very low83 Ų8385 Ų8544%0.43544%0.438SS..Hα-helixtrans-64.2-34.5177.5-71.7169.4000112.8L358 Q359 R366 L421L358-L362 HydrophobicContact CG-CD1 4.26Å; L358-L362 WeakPolarHBondContact O-CB 3.14Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.31Å; L358-L362 PolarHBondContact O-N 3.04Å; Q359-L362 PolarHBondContact O-N 3.18Å; L362-R366 WeakPolarHBondContact O-CB 3.29Å; L362-R366 PolarHBondContact O-N 3.12Å; L362-L421 HydrophobicContact CD2-CD1 4.13Å
363L44.2Very low43.4Very low67 Ų6779 Ų7935%0.35142%0.415SS..Hα-helixtrans-66.1-37.6171.5-79.1165.4000111.5Q359 N360 F361 H367Q359-L363 HydrophobicContact CG-CD1 4.33Å; Q359-L363 VanDerWaalsContact O-CB 3.27Å; Q359-L363 WeakPolarHBondContact O-CB 3.27Å; Q359-L363 WeakPolarHBondContact O-CD1 3.48Å; Q359-L363 WeakPolarHBondContact O-CG 3.44Å; Q359-L363 PolarHBondContact O-N 2.73Å; N360-L363 PolarHBondContact O-N 3.26Å; F361-L363 VanDerWaalsContact C-N 3.32Å; F361-L363 PolarHBondContact O-N 3Å; L363-H367 WeakPolarHBondContact O-CB 3.07Å; L363-H367 PolarHBondContact O-CD2 3.37Å; L363-H367 VanDerWaalsContact O-CD2 3.26Å; L363-H367 PolarHBondContact O-N 3.39Å
364S45Very low43.5Very low58 Ų5880.6 Ų80.641%0.40642%0.419SS..Hα-helixtrans-67.2-45.6175.7-1650000112.1N360 F361 R366 H367 Q368N360-S364 WeakPolarHBondContact O-CB 3.47Å; N360-S364 PolarHBondContact O-N 2.95Å; F361-S364 WeakPolarHBondContact O-CA 3.22Å; F361-S364 WeakPolarHBondContact O-CB 3.45Å; F361-S364 PolarHBondContact O-N 2.07Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.41Å; S364-H367 PolarHBondContact O-N 3.3Å; S364-Q368 PolarHBondContact O-N 3.21Å
365V45.7Very low43.3Very low19 Ų1979.7 Ų79.712%0.11540%0.404CS..Hα-helixtrans-61.8-42.9174.5179.30000111.1F361 H367 Q368 C369 L414 E417F361-V365 HydrophobicContact CD1-CG2 4.28Å; F361-V365 HydrophobicContact CE1-CG2 3.96Å; F361-V365 HydrophobicContact CE2-CG2 4.33Å; F361-V365 HydrophobicContact CZ-CG2 3.99Å; F361-V365 WeakPolarHBondContact O-CG2 3.47Å; F361-V365 PolarHBondContact O-N 3.24Å; V365-H367 VanDerWaalsContact C-N 3.33Å; V365-H367 PolarHBondContact O-N 3Å; V365-Q368 PolarHBondContact O-N 3.41Å; V365-C369 PolarHBondContact O-N 3.08Å; V365-C369 PolarHBondContact O-SG 3.26Å; V365-L414 HydrophobicContact CG1-CD1 3.77Å; V365-E417 WeakPolarHBondContact CA-OE2 3.32Å; V365-E417 WeakPolarHBondContact CB-OE2 3.44Å; V365-E417 HydrophobicContact CG1-CB 4.17Å; V365-E417 WeakPolarHBondContact CG1-OE2 3.47Å; V365-E417 HydrophobicContact CG2-CB 3.88Å; V365-E417 HydrophobicContact CG2-CG 4.35Å; V365-E417 VanDerWaalsContact CG2-OE2 3.31Å; V365-E417 WeakPolarHBondContact CG2-OE2 2.97Å
366R43Very low43.2Very low144 Ų14478.5 Ų78.554%0.54339%0.392SS..Hα-helixtrans-63.5-38.8175.5-168.1-175.475122.64.3111.9L362 S364 C369 C370L362-R366 WeakPolarHBondContact O-CB 3.29Å; L362-R366 PolarHBondContact O-N 3.12Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.41Å; R366-C369 WeakPolarHBondContact O-CB 3.16Å; R366-C369 PolarHBondContact O-N 3.23Å; R366-C370 PolarHBondContact O-N 2.93Å; R366-C370 PolarHBondContact O-SG 3.11Å
367H45.6Very low43.4Very low123 Ų12376.6 Ų76.657%0.56938%0.383SS*.Hα-helixtrans-66.4-37.8175.3-96.2-74.1000112.2L363 S364 V365 C370 Y371L363-H367 WeakPolarHBondContact O-CB 3.07Å; L363-H367 PolarHBondContact O-CD2 3.37Å; L363-H367 VanDerWaalsContact O-CD2 3.26Å; L363-H367 PolarHBondContact O-N 3.39Å; S364-H367 PolarHBondContact O-N 3.3Å; V365-H367 VanDerWaalsContact C-N 3.33Å; V365-H367 PolarHBondContact O-N 3Å; H367-C370 PolarHBondContact O-N 3.01Å; H367-Y371 WeakPolarHBondContact O-CB 3.37Å; H367-Y371 PolarHBondContact O-N 3.44Å
368Q43.8Very low43.3Very low76 Ų7675.5 Ų75.536%0.35538%0.377SS..Hα-helixtrans-67.8-38.4173.9-71-173.619.900112.5S364 V365 C370 Y371 L372 E417S364-Q368 PolarHBondContact O-N 3.21Å; V365-Q368 PolarHBondContact O-N 3.41Å; Q368-C370 VanDerWaalsContact C-N 3.35Å; Q368-C370 PolarHBondContact O-N 3.03Å; Q368-Y371 PolarHBondContact O-N 2.79Å; Q368-L372 VanDerWaalsContact O-CB 3.24Å; Q368-L372 WeakPolarHBondContact O-CB 3.06Å; Q368-L372 PolarHBondContact O-N 3.44Å; Q368-E417 VanDerWaalsContact CD-CD 3.46Å; Q368-E417 PolarHBondContact NE2-OE1 3.48Å; Q368-E417 PolarHBondContact OE1-OE1 2.7Å; Q368-E417 PolarHBondContact OE1-OE2 3.44Å; Q368-E417 VanDerWaalsContact OE1-OE2 3.05Å
369C42.3Very low43.2Very low38 Ų3871.6 Ų71.626%0.25736%0.356SS..Hα-helixtrans-58.7-44.3169.4-63.10000112.6V365 R366 L372 T373 L414V365-C369 PolarHBondContact O-N 3.08Å; V365-C369 PolarHBondContact O-SG 3.26Å; R366-C369 WeakPolarHBondContact O-CB 3.16Å; R366-C369 PolarHBondContact O-N 3.23Å; C369-L372 WeakPolarHBondContact O-CB 3.31Å; C369-L372 PolarHBondContact O-N 3.16Å; C369-T373 WeakPolarHBondContact O-CB 3.32Å; C369-T373 PolarHBondContact O-N 2.72Å; C369-T373 PolarHBondContact O-OG1 3.06Å; C369-L414 HydrophobicContact CB-CD1 4.46Å; C369-L414 HydrophobicContact CB-CD2 4.14Å; C369-L414 WeakPolarHBondContact SG-CD1 3.39Å; C369-L414 WeakPolarHBondContact SG-CD2 3.16Å
370C43.8Very low43.3Very low61 Ų6170.3 Ų70.341%0.41235%0.352SS..Hα-helixtrans-68.2-42.5-177.7-74.70000111.1R366 H367 Q368 L372 T373 E374R366-C370 PolarHBondContact O-N 2.93Å; R366-C370 PolarHBondContact O-SG 3.11Å; H367-C370 PolarHBondContact O-N 3.01Å; Q368-C370 VanDerWaalsContact C-N 3.35Å; Q368-C370 PolarHBondContact O-N 3.03Å; C370-L372 VanDerWaalsContact C-N 3.32Å; C370-L372 PolarHBondContact O-N 3.1Å; C370-T373 PolarHBondContact O-N 2.96Å; C370-T373 VanDerWaalsContact O-N 3.14Å; C370-E374 PolarHBondContact O-N 3.37Å
371Y42.8Very low43.4Very low132 Ų13269.4 Ų69.452%0.51835%0.354SS..Hα-helixtrans-64.1-38175.5-170.6-120.9000111.9H367 Q368 M375H367-Y371 WeakPolarHBondContact O-CB 3.37Å; H367-Y371 PolarHBondContact O-N 3.44Å; Q368-Y371 PolarHBondContact O-N 2.79Å; Y371-M375 WeakPolarHBondContact O-CB 3.48Å; Y371-M375 VanDerWaalsContact O-CG 3.3Å; Y371-M375 WeakPolarHBondContact O-CG 3.49Å; Y371-M375 PolarHBondContact O-N 3.38Å
372L39.7Very low43Very low7 Ų772.2 Ų72.24%0.03736%0.362CS..Hα-helixtrans-60-42.9169.8170.358.5000113.6Q368 C369 C370 L376 L407 Q410 T411 L414Q368-L372 VanDerWaalsContact O-CB 3.24Å; Q368-L372 WeakPolarHBondContact O-CB 3.06Å; Q368-L372 PolarHBondContact O-N 3.44Å; C369-L372 WeakPolarHBondContact O-CB 3.31Å; C369-L372 PolarHBondContact O-N 3.16Å; C370-L372 VanDerWaalsContact C-N 3.32Å; C370-L372 PolarHBondContact O-N 3.1Å; L372-L376 HydrophobicContact CD1-CD1 4.39Å; L372-L376 WeakPolarHBondContact O-CB 3.46Å; L372-L376 PolarHBondContact O-N 3.41Å; L372-L407 HydrophobicContact CD1-CD2 3.75Å; L372-L407 VanDerWaalsContact CD1-O 3.22Å; L372-L407 WeakPolarHBondContact CD1-O 3.37Å; L372-Q410 HydrophobicContact CB-CB 3.78Å; L372-Q410 HydrophobicContact CD1-CB 3.12Å; L372-Q410 HydrophobicContact CD1-CG 4.4Å; L372-Q410 HydrophobicContact CD2-CB 4.39Å; L372-Q410 WeakPolarHBondContact CD2-O 3.22Å; L372-Q410 HydrophobicContact CG-CB 3.87Å; L372-T411 HydrophobicContact CD1-CG2 3.96Å; L372-T411 HydrophobicContact CD2-CG2 3.64Å; L372-T411 HydrophobicContact CG-CG2 4.29Å; L372-L414 HydrophobicContact CD2-CB 4.31Å; L372-L414 HydrophobicContact CD2-CD2 3.91Å
373T41.4Very low42.9Very low71 Ų7172.6 Ų72.644%0.43636%0.361SS..Hα-helixtrans-72.8-38.1-177.9-54.30000111.4C369 C370 L376 Q377C369-T373 WeakPolarHBondContact O-CB 3.32Å; C369-T373 PolarHBondContact O-N 2.72Å; C369-T373 PolarHBondContact O-OG1 3.06Å; C370-T373 PolarHBondContact O-N 2.96Å; C370-T373 VanDerWaalsContact O-N 3.14Å; T373-L376 WeakPolarHBondContact O-CA 3.22Å; T373-L376 WeakPolarHBondContact O-CB 3.36Å; T373-L376 PolarHBondContact O-N 3.22Å; T373-Q377 PolarHBondContact O-N 3.37Å
374E45.8Very low42.7Very low132 Ų13273.6 Ų73.662%0.61737%0.371SS*.Hα-helixtrans-68.7-40.8174.4-76.6-177.9167.200112C370 L376 Q377 D378C370-E374 PolarHBondContact O-N 3.37Å; E374-L376 VanDerWaalsContact C-N 3.27Å; E374-L376 PolarHBondContact O-N 2.96Å; E374-Q377 PolarHBondContact O-N 3.25Å; E374-D378 WeakPolarHBondContact O-CB 3.3Å; E374-D378 PolarHBondContact O-N 3.43Å
375M39.5Very low42.8Very low24 Ų2476.1 Ų76.112%0.11837%0.372CS..Hα-helixtrans-61.2-38.6168.8-75.2-64.7-5500110.5Y371 Q377 D378 V379 Q406 Q410Y371-M375 WeakPolarHBondContact O-CB 3.48Å; Y371-M375 VanDerWaalsContact O-CG 3.3Å; Y371-M375 WeakPolarHBondContact O-CG 3.49Å; Y371-M375 PolarHBondContact O-N 3.38Å; M375-Q377 VanDerWaalsContact C-N 3.33Å; M375-Q377 PolarHBondContact O-N 3.12Å; M375-D378 PolarHBondContact O-N 3.23Å; M375-V379 VanDerWaalsContact O-CB 3.31Å; M375-V379 WeakPolarHBondContact O-CB 3.41Å; M375-V379 WeakPolarHBondContact O-CG2 3.49Å; M375-V379 PolarHBondContact O-N 3.03Å; M375-Q406 HydrophobicContact CE-CB 3.86Å; M375-Q406 HydrophobicContact CE-CG 3.59Å; M375-Q410 VanDerWaalsContact CG-OE1 3.29Å
376L41.7Very low42.4Very low60 Ų6077.8 Ų77.831%0.31438%0.378SS..Hα-helixtrans-55.7-46.7173.8-136.5121.3000112.6L372 T373 E374 V379 I380 L407L372-L376 HydrophobicContact CD1-CD1 4.39Å; L372-L376 WeakPolarHBondContact O-CB 3.46Å; L372-L376 PolarHBondContact O-N 3.41Å; T373-L376 WeakPolarHBondContact O-CA 3.22Å; T373-L376 WeakPolarHBondContact O-CB 3.36Å; T373-L376 PolarHBondContact O-N 3.22Å; E374-L376 VanDerWaalsContact C-N 3.27Å; E374-L376 PolarHBondContact O-N 2.96Å; L376-V379 WeakPolarHBondContact O-CB 2.92Å; L376-V379 PolarHBondContact O-N 3.37Å; L376-I380 HydrophobicContact CD2-CD1 3.87Å; L376-I380 VanDerWaalsContact O-CD1 3.31Å; L376-I380 WeakPolarHBondContact O-CD1 3.44Å; L376-I380 WeakPolarHBondContact O-CG1 3.26Å; L376-I380 PolarHBondContact O-N 3.42Å; L376-L407 HydrophobicContact CB-CD1 4.33Å; L376-L407 HydrophobicContact CB-CD2 3.4Å; L376-L407 HydrophobicContact CB-CG 4.16Å; L376-L407 HydrophobicContact CD1-CD2 3.06Å; L376-L407 HydrophobicContact CD1-CG 4.38Å; L376-L407 HydrophobicContact CD2-CD1 3.28Å; L376-L407 HydrophobicContact CD2-CD2 3.28Å; L376-L407 HydrophobicContact CD2-CG 3.78Å; L376-L407 HydrophobicContact CG-CD1 4.12Å; L376-L407 HydrophobicContact CG-CD2 3.19Å; L376-L407 HydrophobicContact CG-CG 4.12Å
377Q43.8Very low42.2Very low71 Ų7175.3 Ų75.333%0.33239%0.388SS..Hα-helixtrans-76.8-36-177.8-98.4160.2-35.400113S174 T373 E374 M375 V379 I380 S381S174-Q377 PolarHBondContact O-NE2 3.46Å; T373-Q377 PolarHBondContact O-N 3.37Å; E374-Q377 PolarHBondContact O-N 3.25Å; M375-Q377 VanDerWaalsContact C-N 3.33Å; M375-Q377 PolarHBondContact O-N 3.12Å; Q377-V379 PolarHBondContact O-N 3.32Å; Q377-I380 PolarHBondContact O-N 3.44Å; Q377-S381 WeakPolarHBondContact O-CB 3.19Å; Q377-S381 PolarHBondContact O-N 3.01Å; Q377-S381 PolarHBondContact O-OG 3.01Å
378D42.8Very low41.9Very low63 Ų6374.1 Ų74.134%0.33739%0.394SS..Hα-helixtrans-65.9-24.8171.3-167.653.8000111.6E374 M375 S381 R382E374-D378 WeakPolarHBondContact O-CB 3.3Å; E374-D378 PolarHBondContact O-N 3.43Å; M375-D378 PolarHBondContact O-N 3.23Å; D378-S381 WeakPolarHBondContact CA-OG 3.34Å; D378-S381 PolarHBondContact O-OG 2.94Å; D378-R382 VanDerWaalsContact O-CG 3.28Å; D378-R382 WeakPolarHBondContact O-CG 3.24Å; D378-R382 IonicContact OD1-NE 3.69Å; D378-R382 IonicContact OD2-CZ 2.78Å; D378-R382 VanDerWaalsContact OD2-CZ 3.28Å; D378-R382 IonicContact OD2-NE 2.69Å; D378-R382 PolarHBondContact OD2-NE 3.33Å; D378-R382 IonicContact OD2-NH2 2.9Å; D378-R382 PolarHBondContact OD2-NH2 3.31Å
379V40.3Very low41.8Very low3 Ų377.3 Ų77.32%0.01841%0.409CS..Hα-helixtrans-76.9-46.8174.8160.50000113.3M375 L376 Q377 S381 R382 F383 V403 L407M375-V379 VanDerWaalsContact O-CB 3.31Å; M375-V379 WeakPolarHBondContact O-CB 3.41Å; M375-V379 WeakPolarHBondContact O-CG2 3.49Å; M375-V379 PolarHBondContact O-N 3.03Å; L376-V379 WeakPolarHBondContact O-CB 2.92Å; L376-V379 PolarHBondContact O-N 3.37Å; Q377-V379 PolarHBondContact O-N 3.32Å; V379-S381 PolarHBondContact O-N 2.97Å; V379-R382 PolarHBondContact O-N 3.36Å; V379-F383 WeakPolarHBondContact O-CD2 3.3Å; V379-V403 HydrophobicContact CB-CB 4.19Å; V379-V403 HydrophobicContact CB-CG1 3.18Å; V379-V403 HydrophobicContact CG1-CB 4.12Å; V379-V403 HydrophobicContact CG1-CG1 3.33Å; V379-V403 HydrophobicContact CG2-CB 3.74Å; V379-V403 HydrophobicContact CG2-CG1 3.12Å; V379-V403 WeakPolarHBondContact CG2-O 3.49Å; V379-L407 HydrophobicContact CB-CD1 3.51Å; V379-L407 HydrophobicContact CB-CG 4.4Å; V379-L407 HydrophobicContact CG1-CD1 3.3Å; V379-L407 HydrophobicContact CG2-CD1 3.61Å; V379-L407 HydrophobicContact CG2-CG 4Å
380I43.1Very low41.9Very low84 Ų8481.4 Ų81.443%0.43143%0.427SS..Hα-helixtrans-68.2-26.5179.3-67.9164.7000110.8L376 Q377L376-I380 HydrophobicContact CD2-CD1 3.87Å; L376-I380 VanDerWaalsContact O-CD1 3.31Å; L376-I380 WeakPolarHBondContact O-CD1 3.44Å; L376-I380 WeakPolarHBondContact O-CG1 3.26Å; L376-I380 PolarHBondContact O-N 3.42Å; Q377-I380 PolarHBondContact O-N 3.44Å
381S46.5Very low41.8Very low78 Ų7883.8 Ų83.855%0.54544%0.44SS..Hα-helixtrans-75-21.9175.173.50000113.9Q377 D378 V379Q377-S381 WeakPolarHBondContact O-CB 3.19Å; Q377-S381 PolarHBondContact O-N 3.01Å; Q377-S381 PolarHBondContact O-OG 3.01Å; D378-S381 WeakPolarHBondContact CA-OG 3.34Å; D378-S381 PolarHBondContact O-OG 2.94Å; V379-S381 PolarHBondContact O-N 2.97Å
382R39.4Very low41.7Very low122 Ų12285 Ų8546%0.4645%0.454SS..THydrogen-bonded Turntrans-85.3-4.6177.5-70.5176.3-165.9-157.88.6114.3D378 V379 V403D378-R382 VanDerWaalsContact O-CG 3.28Å; D378-R382 WeakPolarHBondContact O-CG 3.24Å; D378-R382 IonicContact OD1-NE 3.69Å; D378-R382 IonicContact OD2-CZ 2.78Å; D378-R382 VanDerWaalsContact OD2-CZ 3.28Å; D378-R382 IonicContact OD2-NE 2.69Å; D378-R382 PolarHBondContact OD2-NE 3.33Å; D378-R382 IonicContact OD2-NH2 2.9Å; D378-R382 PolarHBondContact OD2-NH2 3.31Å; V379-R382 PolarHBondContact O-N 3.36Å; R382-V403 HydrophobicContact CB-CG1 4.27Å
383F40.4Very low41.8Very low92 Ų9290 Ų9040%0.40449%0.49SS..SBendtrans-92.9129.6173.4-86.7-90000111.9V379 R385 A400V379-F383 WeakPolarHBondContact O-CD2 3.3Å; F383-R385 PolarHBondContact O-N 3.37Å; F383-A400 HydrophobicContact CD1-CB 4.27Å; F383-A400 HydrophobicContact CE1-CB 3.46Å; F383-A400 VanDerWaalsContact CE1-CB 3.46Å; F383-A400 HydrophobicContact CE2-CB 3.8Å; F383-A400 HydrophobicContact CZ-CB 3.21Å
384P39.9Very low41.6Very low88 Ų8894.6 Ų94.657%0.57151%0.511SS*.  trans-71128.2-177.4-11.425.3000111.9Q386P384-Q386 VanDerWaalsContact C-N 3.29Å; P384-Q386 PolarHBondContact O-N 2.94Å
385R47.2Very low41.9Very low110 Ų11094.2 Ų94.242%0.41551%0.513SS..SBendtrans-81.711.8-176.8-66.6-173.6176.7-145.4-0.9115.4S140 F383S140-R385 VanDerWaalsContact CB-NH2 3.32Å; S140-R385 PolarHBondContact OG-NH1 3.34Å; F383-R385 PolarHBondContact O-N 3.37Å
386Q37.3Very low42.1Very low55 Ų5596.6 Ų96.626%0.25753%0.531SS..  trans-143.2128.3177.6-91173-20.700112.9D102 P384 S388 Q389D102-Q386 PolarHBondContact OD2-NE2 3.13Å; D102-Q386 PolarHBondContact OD2-OE1 3.22Å; P384-Q386 VanDerWaalsContact C-N 3.29Å; P384-Q386 PolarHBondContact O-N 2.94Å; Q386-S388 PolarHBondContact O-N 3.02Å; Q386-S388 VanDerWaalsContact O-N 3.13Å; Q386-Q389 PolarHBondContact O-N 3.13Å
387A38.9Very low42.3Very low91 Ų91101.3 Ų101.375%0.75255%0.548SS*.THydrogen-bonded Turntrans-66-11.6-177.500000115.2
388S39.9Very low42.6Very low98 Ų98105.8 Ų105.869%0.68557%0.567SS**THydrogen-bonded Turntrans-93.6-6.1-176.851.50000115.1Q386Q386-S388 PolarHBondContact O-N 3.02Å; Q386-S388 VanDerWaalsContact O-N 3.13Å
389Q41.1Very low42.7Very low144 Ų144108.6 Ų108.667%0.67358%0.578SS**SBendtrans-94.11.7170.8-77.3-174.4-9.100113.3Q386 V391Q386-Q389 PolarHBondContact O-N 3.13Å; Q389-V391 PolarHBondContact O-N 3.15Å; Q389-V391 VanDerWaalsContact O-N 3.08Å
390L44.2Very low42.8Very low123 Ų123109.1 Ų109.164%0.64458%0.583SS**SBendtrans-67.9-2.5175.3-101.5148.3000114
391V43.2Very low42.9Very low112 Ų112111.9 Ų111.968%0.67959%0.594SS**SBendtrans-115.5101.7-179.9-1790000108.7Q389Q389-V391 PolarHBondContact O-N 3.15Å; Q389-V391 VanDerWaalsContact O-N 3.08Å
392L39.3Very low43Very low156 Ų156111.7 Ų111.782%0.81759%0.59SS**SBendtrans97.6105.2162.2-56.5160.2000116.7
393S41.2Very low43.2Very low112 Ų112106.1 Ų106.178%0.78357%0.569SS**SBendtrans97.9111.6158.573.10000117.5
394L38.9Very low43.1Very low168 Ų168104.5 Ų104.588%0.8857%0.569SS**SBendtrans89.6123.9176.9-64.4112.4000117P396L394-P396 VanDerWaalsContact O-CD 3.32Å; L394-P396 WeakPolarHBondContact O-CD 3.5Å
395D50.7Low43.1Very low124 Ų124103.3 Ų103.366%0.66356%0.562SS**  trans-77.8104.7-156.5-166.72.3000113.8K397D395-K397 VanDerWaalsContact C-N 3.31Å; D395-K397 PolarHBondContact O-N 3.05Å
396P43.9Very low43Very low74 Ų74102.6 Ų102.648%0.48156%0.563SS.*Hα-helixtrans-78.4-3.9-163.630.6-35000115L394 A400L394-P396 VanDerWaalsContact O-CD 3.32Å; L394-P396 WeakPolarHBondContact O-CD 3.5Å; P396-A400 VanDerWaalsContact O-CB 3.24Å; P396-A400 WeakPolarHBondContact O-CB 3.41Å
397K46.8Very low43.1Very low159 Ų159100.5 Ų100.569%0.69155%0.554SS**Hα-helixtrans-84.4-30.2-176.3-78.5-176.7176.5-178.50114D395 Q401D395-K397 VanDerWaalsContact C-N 3.31Å; D395-K397 PolarHBondContact O-N 3.05Å; K397-Q401 WeakPolarHBondContact O-CB 3.3Å
398K48.7Very low43.2Very low165 Ų165100.5 Ų100.572%0.71754%0.544SS*.Hα-helixtrans-80.1-47.3-173.9-90-176.9173.3179.60113.4T402K398-T402 PolarHBondContact O-N 3.33Å; K398-T402 VanDerWaalsContact O-N 3.15Å; K398-T402 PolarHBondContact O-OG1 2.6Å
399E46.3Very low43.5Very low123 Ų12399.9 Ų99.958%0.57554%0.536SS*.Hα-helixtrans-69.8-48.7-178.3-79.1-176.6157.200111.7Q401 T402 V403E399-Q401 PolarHBondContact O-N 2.66Å; E399-Q401 VanDerWaalsContact O-N 3.14Å; E399-T402 WeakPolarHBondContact CA-OG1 3.44Å; E399-T402 PolarHBondContact O-N 3.34Å; E399-T402 PolarHBondContact O-OG1 3Å; E399-V403 WeakPolarHBondContact O-CB 3.47Å; E399-V403 WeakPolarHBondContact O-CG2 3.28Å; E399-V403 PolarHBondContact O-N 2.87Å; E399-V403 VanDerWaalsContact O-N 3.15Å
400A42.2Very low43.5Very low14 Ų1494.4 Ų94.412%0.11651%0.511CS..Hα-helixtrans-49.1-39.4173.800000114.3F383 P396 C404F383-A400 HydrophobicContact CD1-CB 4.27Å; F383-A400 HydrophobicContact CE1-CB 3.46Å; F383-A400 VanDerWaalsContact CE1-CB 3.46Å; F383-A400 HydrophobicContact CE2-CB 3.8Å; F383-A400 HydrophobicContact CZ-CB 3.21Å; P396-A400 VanDerWaalsContact O-CB 3.24Å; P396-A400 WeakPolarHBondContact O-CB 3.41Å; A400-C404 PolarHBondContact O-N 3.28Å; A400-C404 VanDerWaalsContact O-N 3.14Å; A400-C404 PolarHBondContact O-SG 3.05Å
401Q45Very low43.2Very low141 Ų14191.7 Ų91.766%0.65950%0.5SS*.Hα-helixtrans-84.4-34.3-174.5-15417117.400112.3K397 E399 V403 S405K397-Q401 WeakPolarHBondContact O-CB 3.3Å; E399-Q401 PolarHBondContact O-N 2.66Å; E399-Q401 VanDerWaalsContact O-N 3.14Å; Q401-V403 PolarHBondContact O-N 3.16Å; Q401-S405 WeakPolarHBondContact O-CB 3.37Å; Q401-S405 PolarHBondContact O-N 3.47Å; Q401-S405 PolarHBondContact O-OG 3.31Å
402T47.9Very low43.1Very low75 Ų7590.5 Ų90.546%0.4649%0.485SS..Hα-helixtrans-64-29.9170.738.80000113K398 E399 S405 Q406K398-T402 PolarHBondContact O-N 3.33Å; K398-T402 VanDerWaalsContact O-N 3.15Å; K398-T402 PolarHBondContact O-OG1 2.6Å; E399-T402 WeakPolarHBondContact CA-OG1 3.44Å; E399-T402 PolarHBondContact O-N 3.34Å; E399-T402 PolarHBondContact O-OG1 3Å; T402-S405 VanDerWaalsContact C-OG 3.27Å; T402-S405 VanDerWaalsContact CA-OG 3.27Å; T402-S405 WeakPolarHBondContact CA-OG 3.34Å; T402-S405 PolarHBondContact O-OG 2.87Å; T402-Q406 WeakPolarHBondContact O-CB 3.23Å; T402-Q406 PolarHBondContact O-N 3.35Å; T402-Q406 VanDerWaalsContact O-N 3.11Å
403V43.6Very low43.4Very low5 Ų586.3 Ų86.33%0.0346%0.464CS..Hα-helixtrans-88.1-44.1-167.7165.90000107.2V379 R382 E399 Q401 S405 Q406 L407V379-V403 HydrophobicContact CB-CB 4.19Å; V379-V403 HydrophobicContact CB-CG1 3.18Å; V379-V403 HydrophobicContact CG1-CB 4.12Å; V379-V403 HydrophobicContact CG1-CG1 3.33Å; V379-V403 HydrophobicContact CG2-CB 3.74Å; V379-V403 HydrophobicContact CG2-CG1 3.12Å; V379-V403 WeakPolarHBondContact CG2-O 3.49Å; R382-V403 HydrophobicContact CB-CG1 4.27Å; E399-V403 WeakPolarHBondContact O-CB 3.47Å; E399-V403 WeakPolarHBondContact O-CG2 3.28Å; E399-V403 PolarHBondContact O-N 2.87Å; E399-V403 VanDerWaalsContact O-N 3.15Å; Q401-V403 PolarHBondContact O-N 3.16Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.47Å; V403-Q406 PolarHBondContact O-N 3.04Å; V403-L407 PolarHBondContact O-N 3.32Å
404C38.5Very low43.3Very low58 Ų5882.7 Ų82.739%0.39244%0.435SS..Hα-helixtrans-65.1-26.9168.4-71.80000114.3A400 L407 V408A400-C404 PolarHBondContact O-N 3.28Å; A400-C404 VanDerWaalsContact O-N 3.14Å; A400-C404 PolarHBondContact O-SG 3.05Å; C404-L407 WeakPolarHBondContact O-CB 3.13Å; C404-V408 WeakPolarHBondContact O-CG2 3.44Å; C404-V408 PolarHBondContact O-N 3.47Å
405S40.7Very low43.3Very low63 Ų6381 Ų8144%0.44142%0.423SS..Hα-helixtrans-79.9-35.7178.441.90000113.1Q401 T402 V403 L407 V408 V409Q401-S405 WeakPolarHBondContact O-CB 3.37Å; Q401-S405 PolarHBondContact O-N 3.47Å; Q401-S405 PolarHBondContact O-OG 3.31Å; T402-S405 VanDerWaalsContact C-OG 3.27Å; T402-S405 VanDerWaalsContact CA-OG 3.27Å; T402-S405 WeakPolarHBondContact CA-OG 3.34Å; T402-S405 PolarHBondContact O-OG 2.87Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.47Å; S405-L407 PolarHBondContact O-N 3.49Å; S405-V408 PolarHBondContact O-N 2.83Å; S405-V409 WeakPolarHBondContact O-CG2 3.27Å; S405-V409 PolarHBondContact O-N 3.3Å
406Q43.8Very low43.1Very low94 Ų9481.4 Ų81.444%0.43942%0.419SS..Hα-helixtrans-65.4-26.3175.2-146.9156-19.300112.7M375 T402 V403 Q410M375-Q406 HydrophobicContact CE-CB 3.86Å; M375-Q406 HydrophobicContact CE-CG 3.59Å; T402-Q406 WeakPolarHBondContact O-CB 3.23Å; T402-Q406 PolarHBondContact O-N 3.35Å; T402-Q406 VanDerWaalsContact O-N 3.11Å; V403-Q406 PolarHBondContact O-N 3.04Å; Q406-Q410 PolarHBondContact O-N 3.43Å
407L39.6Very low43Very low12 Ų1279.3 Ų79.36%0.06340%0.403CS..Hα-helixtrans-75.6-40.3178-109.4169.7000115.9L372 L376 V379 V403 C404 S405 V409 T411L372-L407 HydrophobicContact CD1-CD2 3.75Å; L372-L407 VanDerWaalsContact CD1-O 3.22Å; L372-L407 WeakPolarHBondContact CD1-O 3.37Å; L376-L407 HydrophobicContact CB-CD1 4.33Å; L376-L407 HydrophobicContact CB-CD2 3.4Å; L376-L407 HydrophobicContact CB-CG 4.16Å; L376-L407 HydrophobicContact CD1-CD2 3.06Å; L376-L407 HydrophobicContact CD1-CG 4.38Å; L376-L407 HydrophobicContact CD2-CD1 3.28Å; L376-L407 HydrophobicContact CD2-CD2 3.28Å; L376-L407 HydrophobicContact CD2-CG 3.78Å; L376-L407 HydrophobicContact CG-CD1 4.12Å; L376-L407 HydrophobicContact CG-CD2 3.19Å; L376-L407 HydrophobicContact CG-CG 4.12Å; V379-L407 HydrophobicContact CB-CD1 3.51Å; V379-L407 HydrophobicContact CB-CG 4.4Å; V379-L407 HydrophobicContact CG1-CD1 3.3Å; V379-L407 HydrophobicContact CG2-CD1 3.61Å; V379-L407 HydrophobicContact CG2-CG 4Å; V403-L407 PolarHBondContact O-N 3.32Å; C404-L407 WeakPolarHBondContact O-CB 3.13Å; S405-L407 PolarHBondContact O-N 3.49Å; L407-V409 VanDerWaalsContact C-N 3.3Å; L407-T411 PolarHBondContact O-N 3.39Å; L407-T411 PolarHBondContact O-OG1 3.31Å
408V42.3Very low42.6Very low90 Ų9075.7 Ų75.755%0.54539%0.394SS..Hα-helixtrans-71.7-31.5178.4171.50000110.3C404 S405 T411 K412C404-V408 WeakPolarHBondContact O-CG2 3.44Å; C404-V408 PolarHBondContact O-N 3.47Å; S405-V408 PolarHBondContact O-N 2.83Å; V408-T411 VanDerWaalsContact CA-OG1 3.27Å; V408-T411 WeakPolarHBondContact CA-OG1 3.2Å; V408-T411 PolarHBondContact O-OG1 2.94Å; V408-T411 VanDerWaalsContact O-OG1 3.07Å; V408-K412 PolarHBondContact O-N 2.89Å
409V46.6Very low42.3Very low85 Ų8571.1 Ų71.152%0.51538%0.382SS..Hα-helixtrans-63.6-48.3174.1169.50000111S405 L407 T411 K412 D413S405-V409 WeakPolarHBondContact O-CG2 3.27Å; S405-V409 PolarHBondContact O-N 3.3Å; L407-V409 VanDerWaalsContact C-N 3.3Å; V409-T411 VanDerWaalsContact C-N 3.34Å; V409-T411 PolarHBondContact O-N 3.3Å; V409-K412 PolarHBondContact O-N 2.96Å; V409-D413 PolarHBondContact O-N 3.29Å; V409-D413 VanDerWaalsContact O-N 3.15Å
410Q40.8Very low42.1Very low30 Ų3067.7 Ų67.714%0.1437%0.372CS..Hα-helixtrans-71.9-27.3-176.5-75.6-176.1-31.600113.3L372 M375 Q406 K412 L414L372-Q410 HydrophobicContact CB-CB 3.78Å; L372-Q410 HydrophobicContact CD1-CB 3.12Å; L372-Q410 HydrophobicContact CD1-CG 4.4Å; L372-Q410 HydrophobicContact CD2-CB 4.39Å; L372-Q410 WeakPolarHBondContact CD2-O 3.22Å; L372-Q410 HydrophobicContact CG-CB 3.87Å; M375-Q410 VanDerWaalsContact CG-OE1 3.29Å; Q406-Q410 PolarHBondContact O-N 3.43Å; Q410-K412 VanDerWaalsContact C-N 3.32Å; Q410-L414 PolarHBondContact O-N 3.17Å
411T37Very low42Very low66 Ų6669.7 Ų69.741%0.40538%0.38SS..Hα-helixtrans-71.7-30.7175.825.30000111L372 L407 V408 V409 Q415L372-T411 HydrophobicContact CD1-CG2 3.96Å; L372-T411 HydrophobicContact CD2-CG2 3.64Å; L372-T411 HydrophobicContact CG-CG2 4.29Å; L407-T411 PolarHBondContact O-N 3.39Å; L407-T411 PolarHBondContact O-OG1 3.31Å; V408-T411 VanDerWaalsContact CA-OG1 3.27Å; V408-T411 WeakPolarHBondContact CA-OG1 3.2Å; V408-T411 PolarHBondContact O-OG1 2.94Å; V408-T411 VanDerWaalsContact O-OG1 3.07Å; V409-T411 VanDerWaalsContact C-N 3.34Å; V409-T411 PolarHBondContact O-N 3.3Å; T411-Q415 PolarHBondContact O-N 3.23Å
412K41.8Very low41.9Very low86 Ų8667.4 Ų67.437%0.37437%0.369SS..Hα-helixtrans-75.7-35.6173.9-96.4-174.9173.9179.30113.3E280 V408 V409 Q410 Q415 K416E280-K412 IonicContact OE1-NZ 3.7Å; E280-K412 PolarHBondContact OE1-NZ 3.41Å; E280-K412 IonicContact OE2-NZ 2.87Å; E280-K412 PolarHBondContact OE2-NZ 3.07Å; V408-K412 PolarHBondContact O-N 2.89Å; V409-K412 PolarHBondContact O-N 2.96Å; Q410-K412 VanDerWaalsContact C-N 3.32Å; K412-Q415 PolarHBondContact O-N 3.1Å; K412-K416 PolarHBondContact O-N 3.35Å
413D44.8Very low41.6Very low69 Ų6968.8 Ų68.837%0.36937%0.373SS..Hα-helixtrans-69.4-37.4176.5-71.6-25.1000112V409 Q415 K416 E417V409-D413 PolarHBondContact O-N 3.29Å; V409-D413 VanDerWaalsContact O-N 3.15Å; D413-Q415 VanDerWaalsContact C-N 3.31Å; D413-Q415 PolarHBondContact O-N 3.03Å; D413-K416 WeakPolarHBondContact O-CB 3.45Å; D413-K416 PolarHBondContact O-N 3.23Å; D413-K416 VanDerWaalsContact O-N 3.17Å; D413-K416 IonicContact OD1-NZ 3.49Å; D413-E417 PolarHBondContact O-N 3.43Å
414L40.5Very low41.5Very low36 Ų3672.3 Ų72.319%0.18839%0.392CS..Hα-helixtrans-62.3-37.5173.3179.956.2000113.2V365 C369 L372 Q410 K416 E417 V418V365-L414 HydrophobicContact CG1-CD1 3.77Å; C369-L414 HydrophobicContact CB-CD1 4.46Å; C369-L414 HydrophobicContact CB-CD2 4.14Å; C369-L414 WeakPolarHBondContact SG-CD1 3.39Å; C369-L414 WeakPolarHBondContact SG-CD2 3.16Å; L372-L414 HydrophobicContact CD2-CB 4.31Å; L372-L414 HydrophobicContact CD2-CD2 3.91Å; Q410-L414 PolarHBondContact O-N 3.17Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 3.27Å; L414-E417 PolarHBondContact O-N 2.91Å; L414-V418 WeakPolarHBondContact O-CG2 3.28Å; L414-V418 PolarHBondContact O-N 3.3Å
415Q38.8Very low41.7Very low131 Ų13174.2 Ų74.261%0.61240%0.398SS*.Hα-helixtrans-69.2-27178.3-163.7176.6-1.800112.5T411 K412 D413 S419T411-Q415 PolarHBondContact O-N 3.23Å; K412-Q415 PolarHBondContact O-N 3.1Å; D413-Q415 VanDerWaalsContact C-N 3.31Å; D413-Q415 PolarHBondContact O-N 3.03Å; Q415-S419 PolarHBondContact O-N 2.94Å; Q415-S419 PolarHBondContact O-OG 3.13Å
416K44.9Very low41.8Very low133 Ų13374.2 Ų74.258%0.57840%0.397SS*.Hα-helixtrans-73.5-40.6173.9-71.8174.3-176.9166.30112.2K412 D413 L414 V418 S419 C420K412-K416 PolarHBondContact O-N 3.35Å; D413-K416 WeakPolarHBondContact O-CB 3.45Å; D413-K416 PolarHBondContact O-N 3.23Å; D413-K416 VanDerWaalsContact O-N 3.17Å; D413-K416 IonicContact OD1-NZ 3.49Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 3.27Å; K416-V418 VanDerWaalsContact C-N 3.33Å; K416-V418 PolarHBondContact O-N 2.93Å; K416-S419 PolarHBondContact O-N 3.47Å; K416-C420 PolarHBondContact O-N 2.84Å
417E41.7Very low41.7Very low31 Ų3176.5 Ų76.515%0.14541%0.407CS..Hα-helixtrans-64.8-37.7176.1-69.3-169.7143.500112.3V365 Q368 D413 L414 S419 C420 L421V365-E417 WeakPolarHBondContact CA-OE2 3.32Å; V365-E417 WeakPolarHBondContact CB-OE2 3.44Å; V365-E417 HydrophobicContact CG1-CB 4.17Å; V365-E417 WeakPolarHBondContact CG1-OE2 3.47Å; V365-E417 HydrophobicContact CG2-CB 3.88Å; V365-E417 HydrophobicContact CG2-CG 4.35Å; V365-E417 VanDerWaalsContact CG2-OE2 3.31Å; V365-E417 WeakPolarHBondContact CG2-OE2 2.97Å; Q368-E417 VanDerWaalsContact CD-CD 3.46Å; Q368-E417 PolarHBondContact NE2-OE1 3.48Å; Q368-E417 PolarHBondContact OE1-OE1 2.7Å; Q368-E417 PolarHBondContact OE1-OE2 3.44Å; Q368-E417 VanDerWaalsContact OE1-OE2 3.05Å; D413-E417 PolarHBondContact O-N 3.43Å; L414-E417 PolarHBondContact O-N 2.91Å; E417-S419 VanDerWaalsContact C-N 3.33Å; E417-S419 PolarHBondContact O-N 3.46Å; E417-C420 PolarHBondContact O-N 3.14Å; E417-L421 PolarHBondContact O-N 2.93Å; E417-L421 VanDerWaalsContact O-N 3.08Å
418V39.6Very low41.8Very low83 Ų8382.1 Ų82.150%0.50344%0.435SS..Hα-helixtrans-65.1-35.9174.31730000112.1L414 K416 H422L414-V418 WeakPolarHBondContact O-CG2 3.28Å; L414-V418 PolarHBondContact O-N 3.3Å; K416-V418 VanDerWaalsContact C-N 3.33Å; K416-V418 PolarHBondContact O-N 2.93Å; V418-H422 PolarHBondContact O-N 2.85Å
419S41.8Very low41.6Very low68 Ų6880.2 Ų80.248%0.47642%0.422SS..Hα-helixtrans-75.1-29.7177-58.40000112.7Q415 K416 E417 H422 N423Q415-S419 PolarHBondContact O-N 2.94Å; Q415-S419 PolarHBondContact O-OG 3.13Å; K416-S419 PolarHBondContact O-N 3.47Å; E417-S419 VanDerWaalsContact C-N 3.33Å; E417-S419 PolarHBondContact O-N 3.46Å; S419-H422 WeakPolarHBondContact O-CB 3.45Å; S419-H422 PolarHBondContact O-N 3.29Å; S419-N423 PolarHBondContact O-N 3.49Å; S419-N423 VanDerWaalsContact O-N 3.17Å
420C42.5Very low41.3Very low52 Ų5279 Ų7935%0.35142%0.421SS..Hα-helixtrans-70-39.3173.5-164.80000111.9K416 E417 H422 N423 L424K416-C420 PolarHBondContact O-N 2.84Å; E417-C420 PolarHBondContact O-N 3.14Å; C420-H422 VanDerWaalsContact C-N 3.28Å; C420-H422 PolarHBondContact O-N 3.38Å; C420-N423 PolarHBondContact O-N 2.91Å; C420-L424 PolarHBondContact O-N 3.46Å; C420-L424 VanDerWaalsContact O-N 3.13Å
421L40.4Very low41.3Very low56 Ų5681 Ų8129%0.29344%0.442SS..Hα-helixtrans-59.8-39.4171.8-166.486.6000111.5L358 F361 L362 E417 L424 L425L358-L421 HydrophobicContact CD1-CD1 4.42Å; F361-L421 HydrophobicContact CD1-CD1 3.99Å; F361-L421 HydrophobicContact CE1-CB 4.39Å; F361-L421 HydrophobicContact CE1-CD1 3.64Å; L362-L421 HydrophobicContact CD2-CD1 4.13Å; E417-L421 PolarHBondContact O-N 2.93Å; E417-L421 VanDerWaalsContact O-N 3.08Å; L421-L424 PolarHBondContact O-N 3.29Å; L421-L425 PolarHBondContact O-N 3.41Å
422H42.5Very low41.5Very low92 Ų9284.4 Ų84.443%0.42645%0.451SS..Hα-helixtrans-65.2-39.4177-170.5-76.4000112.6V418 S419 C420 L425 C426V418-H422 PolarHBondContact O-N 2.85Å; S419-H422 WeakPolarHBondContact O-CB 3.45Å; S419-H422 PolarHBondContact O-N 3.29Å; C420-H422 VanDerWaalsContact C-N 3.28Å; C420-H422 PolarHBondContact O-N 3.38Å; H422-L425 PolarHBondContact O-N 2.75Å; H422-C426 PolarHBondContact O-N 3.09Å; H422-C426 VanDerWaalsContact O-N 3.13Å; H422-C426 PolarHBondContact O-SG 2.88Å; H422-C426 VanDerWaalsContact O-SG 3.38Å
423N42Very low41.1Very low104 Ų10486.9 Ų86.956%0.55647%0.469SS*.Hα-helixtrans-70.5-33.5176.6-96.1-23000113.5S419 C420 L425 C426 Q427S419-N423 PolarHBondContact O-N 3.49Å; S419-N423 VanDerWaalsContact O-N 3.17Å; C420-N423 PolarHBondContact O-N 2.91Å; N423-L425 VanDerWaalsContact C-N 3.35Å; N423-C426 PolarHBondContact O-N 3.23Å; N423-Q427 WeakPolarHBondContact O-CG 3.45Å; N423-Q427 PolarHBondContact O-N 3.23Å
424L41.8Very low40.5Very low80 Ų8089.1 Ų89.142%0.41949%0.489SS..Hα-helixtrans-65.7-38.3174.3-115.7137.9000111.8C420 L421 Q427 M428C420-L424 PolarHBondContact O-N 3.46Å; C420-L424 VanDerWaalsContact O-N 3.13Å; L421-L424 PolarHBondContact O-N 3.29Å; L424-Q427 PolarHBondContact O-N 2.91Å; L424-M428 WeakPolarHBondContact O-CG 3.26Å; L424-M428 PolarHBondContact O-N 2.99Å
425L41.8Very low40.1Very low98 Ų9892.3 Ų92.351%0.51351%0.513SS..Hα-helixtrans-65-40172.5-77.4160.4000112.1L421 H422 N423 M428 D429L421-L425 PolarHBondContact O-N 3.41Å; H422-L425 PolarHBondContact O-N 2.75Å; N423-L425 VanDerWaalsContact C-N 3.35Å; L425-M428 PolarHBondContact O-N 3.43Å; L425-D429 PolarHBondContact O-N 3.1Å
426C42.2Very low39.6Very low62 Ų6295 Ų9542%0.41953%0.525SS..Hα-helixtrans-67.8-33.9175.8-69.50000113.4H422 N423 M428 D429 A430H422-C426 PolarHBondContact O-N 3.09Å; H422-C426 VanDerWaalsContact O-N 3.13Å; H422-C426 PolarHBondContact O-SG 2.88Å; H422-C426 VanDerWaalsContact O-SG 3.38Å; N423-C426 PolarHBondContact O-N 3.23Å; C426-M428 VanDerWaalsContact C-N 3.35Å; C426-D429 PolarHBondContact O-N 3.34Å; C426-A430 PolarHBondContact O-N 3.07Å; C426-A430 VanDerWaalsContact O-N 3.12Å
427Q42Very low38.8Very low142 Ų14296 Ų9666%0.66454%0.536SS*.Hα-helixtrans-69.5-30.7175.1-75.1-177.2-0.400112.9N423 L424 D429 A430 A431N423-Q427 WeakPolarHBondContact O-CG 3.45Å; N423-Q427 PolarHBondContact O-N 3.23Å; L424-Q427 PolarHBondContact O-N 2.91Å; Q427-D429 VanDerWaalsContact C-N 3.32Å; Q427-A430 PolarHBondContact O-N 2.93Å; Q427-A431 PolarHBondContact O-N 2.71Å
428M41.5Very low38.2Very low130 Ų130100.2 Ų100.264%0.6457%0.566SS**Hα-helixtrans-68.9-28.4173.2-70.9179.563.200113.1L424 L425 C426L424-M428 WeakPolarHBondContact O-CG 3.26Å; L424-M428 PolarHBondContact O-N 2.99Å; L425-M428 PolarHBondContact O-N 3.43Å; C426-M428 VanDerWaalsContact C-N 3.35Å
429D39.3Very low37.6Very low50 Ų50105.2 Ų105.227%0.26758%0.584SS.*Hα-helixtrans-79.9-36.5173.5-86.5-25.7000112.3L425 C426 Q427 A431 K432L425-D429 PolarHBondContact O-N 3.1Å; C426-D429 PolarHBondContact O-N 3.34Å; Q427-D429 VanDerWaalsContact C-N 3.32Å; D429-A431 VanDerWaalsContact C-N 3.25Å; D429-A431 PolarHBondContact O-N 3.11Å; D429-K432 WeakPolarHBondContact O-CB 2.81Å; D429-K432 PolarHBondContact O-N 3.02Å; D429-K432 IonicContact OD1-NZ 2.81Å; D429-K432 PolarHBondContact OD1-NZ 3.1Å
430A40Very low37.4Very low61 Ų61107.7 Ų107.750%0.50460%0.598SS.*Hα-helixtrans-64.3-26.617400000113.6C426 Q427 K432 D433C426-A430 PolarHBondContact O-N 3.07Å; C426-A430 VanDerWaalsContact O-N 3.12Å; Q427-A430 PolarHBondContact O-N 2.93Å; A430-K432 VanDerWaalsContact C-N 3.28Å; A430-K432 PolarHBondContact O-N 3.48Å; A430-D433 PolarHBondContact O-N 2.88Å
431A40.5Very low36.5Very low70 Ų70112.8 Ų112.858%0.57962%0.622SS**THydrogen-bonded Turntrans-72.8-15.7174.100000113.7Q427 D429Q427-A431 PolarHBondContact O-N 2.71Å; D429-A431 VanDerWaalsContact C-N 3.25Å; D429-A431 PolarHBondContact O-N 3.11Å
432K41.5Very low35.8Very low139 Ų139114.8 Ų114.860%0.60464%0.641SS**THydrogen-bonded Turntrans-77.6-25.3171.6-77174.5-171.8146.30113D429 A430 C434D429-K432 WeakPolarHBondContact O-CB 2.81Å; D429-K432 PolarHBondContact O-N 3.02Å; D429-K432 IonicContact OD1-NZ 2.81Å; D429-K432 PolarHBondContact OD1-NZ 3.1Å; A430-K432 VanDerWaalsContact C-N 3.28Å; A430-K432 PolarHBondContact O-N 3.48Å; K432-C434 VanDerWaalsContact C-N 3.25Å; K432-C434 PolarHBondContact O-N 3.44Å
433D34Very low35Very low137 Ų137118.9 Ų118.973%0.73366%0.66SS**THydrogen-bonded Turntrans-75.6-9.2-177.3-75.9-26.6000113.9A430 C435A430-D433 PolarHBondContact O-N 2.88Å; D433-C435 VanDerWaalsContact C-N 3.35Å
434C31.6Very low34.1Very low117 Ų117121.1 Ų121.179%0.79167%0.672SS**THydrogen-bonded Turntrans-86.63.6176.4-78.10000114.4K432K432-C434 VanDerWaalsContact C-N 3.25Å; K432-C434 PolarHBondContact O-N 3.44Å
435C32.3Very low33.3Very low103 Ų103128.3 Ų128.370%0.69669%0.693SS**  trans-106.664.4176.5-69.70000111.5D433 L437D433-C435 VanDerWaalsContact C-N 3.35Å; C435-L437 PolarHBondContact O-N 3.42Å; C435-L437 VanDerWaalsContact O-N 3.15Å
436Q28.4Very low32.4Very low188 Ų188128.9 Ų128.988%0.87970%0.7SS**  trans-68106.6159.5-77.5-164.2-9.400109
437L27.5Very low31.5Very low153 Ų153135.4 Ų135.480%0.80172%0.716SS**PPolyproline II helixtrans-63.7138.8162.9-102.788.7000109.7C435C435-L437 PolarHBondContact O-N 3.42Å; C435-L437 VanDerWaalsContact O-N 3.15Å
438P28.1Very low30.7Very low120 Ų120133.2 Ų133.278%0.77971%0.713SS**PPolyproline II helixtrans-72.4141.5160.530.3-28.8000110.1
439E27.9Very low29.9Very low187 Ų187136.4 Ų136.487%0.87472%0.718SS**PPolyproline II helixtrans-63.9160.1-176.9-89.7-174.3157.500114.7
440P38.5Very low29.3Very low120 Ų120138.5 Ų138.578%0.77974%0.742SS**PPolyproline II helixtrans-92136.9-16535.2-29.4000111.8
441D22.4Very low28.7Very low159 Ų159141.3 Ų141.385%0.8575%0.752SS**  trans-134.8126163.2-117.4-21.7000112.6
442S25Very low28.2Very low99 Ų99144.8 Ų144.869%0.69277%0.767SS**  trans76.3103.8153.572.20000121
443Q26.5Very low27.4Very low177 Ų177141.2 Ų141.283%0.82777%0.769SS**  75.6110.5125-64.2-169.2-0.300121.4
444L23.9Very low27Very low152 Ų152142 Ų14280%0.79678%0.779SS**  42.3115.5126.4-92.285.9000119.5
445R24.1Very low26.7Very low231 Ų231140 Ų14087%0.87278%0.778SS**  171116.5118-96.4175.5-86.9-159.4-3.5109.7
446V22.9Very low26.5Very low109 Ų109141.4 Ų141.466%0.66178%0.783SS**  72.3111.576.5173.30000112.9
447W24.4Very low26.5Very low200 Ų200137.2 Ų137.276%0.75877%0.774SS**  trans78.6144.6151.8-70.134000115.2W449W447-W449 HydrophobicContact CD2-CZ2 4.27Å; W447-W449 AromaticContact CE3-CH2 3.79Å; W447-W449 HydrophobicContact CE3-CH2 3.79Å; W447-W449 AromaticContact CE3-CZ2 3.5Å; W447-W449 HydrophobicContact CE3-CZ2 3.5Å; W447-W449 HydrophobicContact CH2-CZ2 4.2Å; W447-W449 AromaticContact CZ3-CH2 3.57Å; W447-W449 HydrophobicContact CZ3-CH2 3.57Å; W447-W449 AromaticContact CZ3-CZ2 3.45Å; W447-W449 HydrophobicContact CZ3-CZ2 3.45Å; W447-W449 VanDerWaalsContact CZ3-CZ2 3.45Å
448T23.9Very low26.6Very low95 Ų95137.6 Ų137.658%0.58377%0.774SS**  cis179178.336.30.80000110.5
449W24.3Very low26.5Very low198 Ų198139.8 Ų139.875%0.7578%0.778SS**  trans-80.9173.3-157.3-25.7-63.7000119.1W447W447-W449 HydrophobicContact CD2-CZ2 4.27Å; W447-W449 AromaticContact CE3-CH2 3.79Å; W447-W449 HydrophobicContact CE3-CH2 3.79Å; W447-W449 AromaticContact CE3-CZ2 3.5Å; W447-W449 HydrophobicContact CE3-CZ2 3.5Å; W447-W449 HydrophobicContact CH2-CZ2 4.2Å; W447-W449 AromaticContact CZ3-CH2 3.57Å; W447-W449 HydrophobicContact CZ3-CH2 3.57Å; W447-W449 AromaticContact CZ3-CZ2 3.45Å; W447-W449 HydrophobicContact CZ3-CZ2 3.45Å; W447-W449 VanDerWaalsContact CZ3-CZ2 3.45Å
450A27.5Very low26.3Very low94 Ų94134.2 Ų134.278%0.77777%0.772SS**  trans82.8155.7142.500000119.6
451V27.7Very low25.7Very low119 Ų119133.7 Ų133.772%0.72178%0.777SS**  cis175.9148-21.7147.40000105.2
452T29.6Very low25.9Very low143 Ų143130.2 Ų130.288%0.87777%0.77SS**  trans65147.6164.1570000119.4
453G25.1Very low26.2Very low64 Ų64132.9 Ų132.966%0.6678%0.776SS**  cis163.6161.32.300000111.7
454V25.6Very low26.3Very low155 Ų155134.2 Ų134.294%0.93978%0.78SS**  trans79.5127.4155.3-168.20000119.9
455G25.6Very low26.6Very low75 Ų75133.8 Ų133.877%0.77378%0.777SS**  trans165.361.216000000119.2
456V28.1Very low26.9Very low131 Ų131131.4 Ų131.479%0.79477%0.774SS**  trans-8.5148.7157.8177.40000121.8
457S28Very low27.1Very low100 Ų100134 Ų13470%0.69978%0.783SS**  trans89.6112.3150.5-92.60000119.4
458M28.8Very low27.3Very low162 Ų162130.2 Ų130.280%0.79879%0.786SS**  84.1115.477.2-87.2-105.4149.400114.2
459L25.9Very low27.4Very low165 Ų165135.4 Ų135.486%0.86480%0.8SS**  trans58.5123138.6-105.2144.4000119.5
460G24Very low28.1Very low71 Ų71131.6 Ų131.673%0.73280%0.801SS**  trans152.193.915200000114.8
461A27.1Very low28.2Very low108 Ų108132.6 Ų132.689%0.89380%0.802SS**  trans-53.7142.3170.200000113.4
462A26.9Very low28.7Very low86 Ų86138.6 Ų138.671%0.71181%0.812SS**  trans-168.4117146.900000113.2
463L29.3Very low29.3Very low156 Ų156136.5 Ų136.582%0.81781%0.809SS**  trans64101.2137.1-76106.8000121.2
464F29.1Very low30.1Very low205 Ų205141.7 Ų141.790%0.89985%0.846SS**  24102.8111.7-95.4-84000117.7
465L30.1Very low30.3Very low143 Ų143141 Ų14175%0.74984%0.841SS**  trans-160.7134.3157.1-80.2-175000105.7
466F30.1Very low30.6Very low181 Ų181144.5 Ų144.579%0.79485%0.845SS**  cis-156.9131.322-114.7-74.3000108.4
467L28.3Very low30.7Very low162 Ų162145.2 Ų145.285%0.84885%0.848SS**  trans-70.7142.6161.3-87.3163.3000110.2
468C27.3Very low30.9Very low122 Ų122147.9 Ų147.982%0.82486%0.856SS**  trans-31.6134.8167.4-59.20000114.5
469K27.6Very low31Very low203 Ų203147 Ų14788%0.88386%0.86SS**  trans-114.9127.5152.4-123.7-176.9-179175.30108.7
470P38.4Very low31.4Very low118 Ų118145.8 Ų145.877%0.76686%0.86SS**  trans-84.5152-175.133.5-33.2000111.9
471S30.6Very low31.9Very low116 Ų116151.1 Ų151.181%0.81187%0.869SS**  trans-67.9138167.165.30000111.2
472R36.9Very low32.3Very low244 Ų244154.5 Ų154.592%0.92187%0.867SS**  trans-142.9119.2147.7-112.2-178.6-178170.40.4108.8
473A42.1Very low32.7Very low99 Ų99160.2 Ų160.282%0.81888%0.88SS**  trans-104.4138.9157.700000107.2
474A42.7Very low33Very low173 Ų173160.5 Ų160.5100%1.4389%0.886SS**  trans72.80-179.500000116.5

Retrieved 474 of 474 residues in 346.4 ms (Link to these results)