A0A024RCS3_HUMAN Loading...

Death domain-associated protein 6

AlphaFold DB (Q9UER7), UniProt , Accession A0A024RCS3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 740 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
1M36.4Very low49.3Very low242 Ų242138.8 Ų138.8100%1.19281%0.812SS**  0139.20-76.6-168175.400107.2
2A41.1Very low49.5Very low105 Ų105141 Ų14187%0.86882%0.818SS**  trans-65.3130.8-150.700000115.4
3T40.7Very low49.2Very low138 Ų138140.7 Ų140.785%0.84781%0.811SS**  trans-93.8110.8157.946.20000107.2
4A56Low48.8Very low94 Ų94141.8 Ų141.878%0.77781%0.813SS**  trans-89.513617500000109.5S6A4-S6 PolarHBondContact O-N 3.41Å
5N53.9Low48.9Very low157 Ų157144.5 Ų144.584%0.8482%0.816SS**  trans-64.8120.8175.4-63.7-22.2000109.4I7N5-I7 PolarHBondContact O-N 3.19Å
6S56Low48.7Very low110 Ų110146.3 Ų146.377%0.76982%0.822SS**  trans-86.8103.6173.2-172.20000108.6A4A4-S6 PolarHBondContact O-N 3.41Å
7I54.8Low48.2Very low146 Ų146148.5 Ų148.575%0.74983%0.825SS**  trans-78.7124.6161.9-66.8169.3000106.2N5 V9N5-I7 PolarHBondContact O-N 3.19Å; I7-V9 PolarHBondContact O-N 3.41Å
8I51.7Low47.8Very low141 Ų141145.7 Ų145.772%0.72382%0.824SS**  trans-84.4105.7175.5-60.3171.5000106.6L10I8-L10 HydrophobicContact CG2-CD2 4.39Å
9V49.3Very low47.5Very low113 Ų113143.3 Ų143.369%0.68582%0.824SS**  trans-82.6121.1162.2178.80000105.9I7 D11I7-V9 PolarHBondContact O-N 3.41Å; V9-D11 PolarHBondContact O-N 3Å
10L52.4Low47.1Very low154 Ų154140.5 Ų140.581%0.80682%0.819SS**  trans-77.896.2166.8-68.5172.7000106.6I8 D12I8-L10 HydrophobicContact CG2-CD2 4.39Å; L10-D12 PolarHBondContact O-N 3.28Å
11D50.1Low46.9Very low127 Ų127142.5 Ų142.568%0.67982%0.82SS**  trans-65113.7156.2-96.2-30.2000106.8V9 D13V9-D11 PolarHBondContact O-N 3Å; D11-D13 PolarHBondContact O-N 3.06Å; D11-D13 VanDerWaalsContact O-N 3.09Å
12D51.4Low47.1Very low165 Ų165136.7 Ų136.788%0.88280%0.801SS**  trans-73.385.7157.3-91.1-34.2000106.6L10L10-D12 PolarHBondContact O-N 3.28Å
13D45.5Very low46.9Very low137 Ų137135.3 Ų135.373%0.73380%0.797SS**  trans-68.4124.4168.6-95.6-35.9000109.7D11 E15D11-D13 PolarHBondContact O-N 3.06Å; D11-D13 VanDerWaalsContact O-N 3.09Å; D13-E15 PolarHBondContact O-N 3.39Å
14D43.5Very low46.8Very low156 Ų156134 Ų13483%0.83479%0.79SS**  trans-54.5116.1167.1-70.1-71000112.3
15E51.2Low45.8Very low182 Ų182134.6 Ų134.685%0.8579%0.789SS**  trans-142.988163.3-74.2-9811600109.7D13D13-E15 PolarHBondContact O-N 3.39Å
16D46Very low45Very low173 Ų173136 Ų13693%0.92579%0.79SS**  trans-165.266.1144.8-102.8-33.2000110.3
17E39.9Very low44.2Very low185 Ų185136.5 Ų136.586%0.86479%0.791SS**  trans-102.1104.2160.5-157.3-152.4-174.900109.6
18A41Very low43.3Very low98 Ų98137.4 Ų137.481%0.8180%0.796SS**  trans-15679.9165.500000112.6
19A41.4Very low42.7Very low99 Ų99136.6 Ų136.682%0.81880%0.8SS**  trans-179.278.4141.700000112
20A40.4Very low41.9Very low88 Ų88138.7 Ų138.773%0.72781%0.808SS**  trans-74126.7163.400000111.2
21Q42.8Very low41.3Very low182 Ų182136.2 Ų136.285%0.8581%0.81SS**  trans-120.2129.4157-80.3-76.5-47.500108
22P41.2Very low40.6Very low120 Ų120134.7 Ų134.778%0.77981%0.814SS**  trans-100.8126-17235-29.1000114.3
23G35.4Very low40.1Very low76 Ų76132.6 Ų132.678%0.78481%0.813SS**  trans61.3174.8148.400000120
24P39.5Very low40Very low110 Ų110132 Ų13271%0.71482%0.816SS**  cis-135.2156.12.838.3-19.3000116.4
25S34.2Very low39.5Very low107 Ų107128.2 Ų128.275%0.74881%0.814SS**  trans29.3112.3134.7-34.20000120.7
26H37Very low38.9Very low187 Ų187124.6 Ų124.687%0.86682%0.815SS**  trans-143.6127.9147.2-78.5-66.2000111.9
27P38.8Very low38.7Very low121 Ų121125.8 Ų125.879%0.78682%0.815SS**  trans-88.7160.617535.1-31.1000112.6
28L36.8Very low38.4Very low164 Ų164121.3 Ų121.386%0.85981%0.81SS**  trans-45.2161178.9-73.7119.1000115.8
29P39.1Very low38.3Very low124 Ų124122.1 Ų122.181%0.80581%0.807SS**  -142.3146.8111.634.8-19.3000116.1
30N31.6Very low37.8Very low158 Ų158122.8 Ų122.885%0.84581%0.806SS**  trans-40.3141158.6-87.3-28.8000114.1
31A41Very low37.8Very low102 Ų102123.7 Ų123.784%0.84381%0.807SS**  trans-140.499.9151.400000109.4
32A34.4Very low37.6Very low94 Ų94120.5 Ų120.578%0.77781%0.805SS**  trans-78.8142.5163.400000109.7
33S42.6Very low37.2Very low122 Ų122122.3 Ų122.385%0.85380%0.803SS**  trans-174.2155.1145.9-880000111.7
34P41.9Very low37.3Very low123 Ų123124.5 Ų124.580%0.79980%0.803SS**  -123.7170.1-12939.8-27.5000115.1
35G34.3Very low37Very low77 Ų77127.1 Ų127.179%0.79481%0.806SS**  trans90.6110.6140.300000117.9
36A38.7Very low37.1Very low106 Ų106125.8 Ų125.888%0.87681%0.808SS**  -164.4143.9129.900000110.1
37E40Very low36.8Very low198 Ų198122 Ų12293%0.92581%0.809SS**  trans-75.3158.8-159.3-65163.9119.300115.7
38A35Very low36.8Very low92 Ų92127 Ų12776%0.7681%0.813SS**  trans-71.5176.2171.500000111.8
39P38.5Very low36.4Very low115 Ų115122.6 Ų122.675%0.74781%0.807SS**  -151.5152.96438.9-16.8000117.9
40S30.2Very low36.3Very low113 Ų113121.6 Ų121.679%0.7980%0.803SS**  trans22.5125.9143.261.40000122.4
41S40.3Very low36.5Very low107 Ų107119.6 Ų119.675%0.74880%0.802SS**  trans-160.499.7139.2640000108.2
42S39.6Very low36.1Very low115 Ų115120.8 Ų120.880%0.80480%0.804SS**  65.3114.997.264.70000115.1
43E32.7Very low36.3Very low157 Ų157121.5 Ų121.573%0.73480%0.803SS**  trans-57.6173.5175.4-59.8175.599.500113.9
44P37.4Very low36Very low123 Ų123119.6 Ų119.680%0.79980%0.803SS**  -142.1149.590.834.6-17.8000115.5
45H32.6Very low35.6Very low165 Ų165116.4 Ų116.476%0.76479%0.792SS**  trans-22.1132.4155.6-63.7-78.8000116.2
46G36.4Very low36.5Very low78 Ų78121.2 Ų121.280%0.80479%0.791SS**  trans-141.187.316800000110.2R48G46-R48 PolarHBondContact O-N 3.44Å
47A31.9Very low37.7Very low107 Ų107119.9 Ų119.988%0.88477%0.766SS**  trans-56.4128.8169.100000111
48R37.8Very low39.5Very low226 Ų226114.7 Ų114.785%0.85375%0.75SS**  trans-156.197.3148.2-160.4164.2176.9-126.6-1.8110.6G46G46-R48 PolarHBondContact O-N 3.44Å
49G28.7Very low42.2Very low73 Ų73112.2 Ų112.275%0.75372%0.721SS**  trans-53.9139.2158.500000110
50S37.1Very low44.8Very low102 Ų102111.8 Ų111.871%0.71371%0.708SS**  trans-127.2107.8160.8-73.60000106.6
51S36.3Very low47.7Very low117 Ų117112.8 Ų112.882%0.81870%0.704SS**  trans-50.7132.7-176.3-43.40000112S53S51-S53 PolarHBondContact O-N 2.87Å
52S33Very low50.3Low126 Ų126111.1 Ų111.188%0.88168%0.684SS**  trans-58.7113.8163.952.50000109.8
53S37.8Very low53Low109 Ų109105.8 Ų105.876%0.76265%0.646SS**  trans-118.2121.8158.3730000107S51 G55S51-S53 PolarHBondContact O-N 2.87Å; S53-G55 PolarHBondContact O-N 3.19Å
54G35.4Very low56Low83 Ų83102 Ų10286%0.85663%0.629SS**  trans-67.160.2-176.400000114.2
55G34.7Very low58.8Low55 Ų55103.2 Ų103.257%0.56762%0.622SS**  trans-82.8134.8171.100000110.5S53 K57S53-G55 PolarHBondContact O-N 3.19Å; G55-K57 PolarHBondContact O-N 3.48Å
56K53Low61.8Low179 Ų17996.5 Ų96.578%0.77859%0.591SS**  trans-33.5122.5170.8-70.5172.7176.11760110.8C58K56-C58 PolarHBondContact O-N 3.23Å
57K63.5Low64.7Low77 Ų7793.1 Ų93.134%0.33555%0.554SS.*  trans-50.3112.4176.4-69.5171-170.21600108.3G55 Y59 D343G55-K57 PolarHBondContact O-N 3.48Å; K57-Y59 HydrophobicContact CB-CD2 4.42Å; K57-Y59 HydrophobicContact CB-CE2 3.87Å; K57-Y59 VanDerWaalsContact O-CD2 3.3Å; K57-Y59 WeakPolarHBondContact O-CD2 3.07Å; K57-Y59 PolarHBondContact O-N 3.24Å; K57-D343 WeakPolarHBondContact CD-OD1 3.5Å; K57-D343 WeakPolarHBondContact CE-OD1 3.28Å; K57-D343 WeakPolarHBondContact CE-OD2 3.21Å; K57-D343 IonicContact NZ-OD1 3.17Å; K57-D343 PolarHBondContact NZ-OD1 3.07Å; K57-D343 IonicContact NZ-OD2 3.13Å; K57-D343 PolarHBondContact NZ-OD2 2.67Å
58C78.6Confident67.8Low90 Ų9094.4 Ų94.461%0.60854%0.542SS*.  trans-85.1104.6178.8-178.80000106.7K56 K60K56-C58 PolarHBondContact O-N 3.23Å; C58-K60 PolarHBondContact O-N 2.71Å; C58-K60 VanDerWaalsContact SG-CB 3.51Å
59Y90.8Very high70.5Confident39 Ų3987.7 Ų87.715%0.15352%0.52CS..THydrogen-bonded Turntrans-74.37.7-179.3-73.1-94.2000112.7K57 L61 E62 N63 A101 A103 C106K57-Y59 HydrophobicContact CB-CD2 4.42Å; K57-Y59 HydrophobicContact CB-CE2 3.87Å; K57-Y59 VanDerWaalsContact O-CD2 3.3Å; K57-Y59 WeakPolarHBondContact O-CD2 3.07Å; K57-Y59 PolarHBondContact O-N 3.24Å; Y59-L61 PolarHBondContact O-N 2.82Å; Y59-E62 WeakPolarHBondContact CD1-OE2 3.37Å; Y59-E62 PolarHBondContact O-N 3.22Å; Y59-E62 VanDerWaalsContact O-N 3.16Å; Y59-N63 VanDerWaalsContact O-CB 3.23Å; Y59-N63 WeakPolarHBondContact O-CB 3.29Å; Y59-N63 PolarHBondContact O-N 2.91Å; Y59-N63 PolarHBondContact O-ND2 2.97Å; Y59-N63 PolarHBondContact O-OD1 3.43Å; Y59-A101 PolarHBondContact N-O 3.49Å; Y59-A101 VanDerWaalsContact N-O 3.1Å; Y59-A103 HydrophobicContact CD2-CB 3.78Å; Y59-A103 HydrophobicContact CE2-CB 3.51Å; Y59-C106 HydrophobicContact CD1-CB 3.74Å; Y59-C106 HydrophobicContact CE1-CB 4.39Å; Y59-C106 HydrophobicContact CG-CB 4.15Å
60K92.4Very high73.7Confident107 Ų10784.2 Ų84.247%0.46549%0.485SS..Hα-helixtrans-51.5-50.6-173.3-176-175.3173.6-167.30113.1C58 E64 A101C58-K60 PolarHBondContact O-N 2.71Å; C58-K60 VanDerWaalsContact SG-CB 3.51Å; K60-E64 WeakPolarHBondContact CE-OE1 3.45Å; K60-E64 WeakPolarHBondContact O-CB 3.37Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.48Å; K60-A101 HydrophobicContact CB-CB 4.05Å
61L92.6Very high76.5Confident134 Ų13479.9 Ų79.970%0.70245%0.453SS*.Hα-helixtrans-69-38.7-178.5-70.7174.6000112.4Y59 K65Y59-L61 PolarHBondContact O-N 2.82Å; L61-K65 WeakPolarHBondContact O-CB 3.32Å; L61-K65 PolarHBondContact O-N 2.85Å
62E94Very high79.3Confident72 Ų7279 Ų7934%0.33644%0.436SS..Hα-helixtrans-68.3-41177.8-170.6163-144.700111Y59 K65 L66 R345Y59-E62 WeakPolarHBondContact CD1-OE2 3.37Å; Y59-E62 PolarHBondContact O-N 3.22Å; Y59-E62 VanDerWaalsContact O-N 3.16Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-L66 HydrophobicContact CG-CD1 4.21Å; E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 WeakPolarHBondContact O-CG 3.15Å; E62-L66 PolarHBondContact O-N 2.82Å; E62-R345 IonicContact OE1-NH2 3.74Å
63N96.4Very high82.1Confident2 Ų274.4 Ų74.41%0.01140%0.402CS..Hα-helixtrans-64.9-42.1175.5-69.4-11.8000112Y59 K65 F67 L100 S102 F105 C106 L109Y59-N63 VanDerWaalsContact O-CB 3.23Å; Y59-N63 WeakPolarHBondContact O-CB 3.29Å; Y59-N63 PolarHBondContact O-N 2.91Å; Y59-N63 PolarHBondContact O-ND2 2.97Å; Y59-N63 PolarHBondContact O-OD1 3.43Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-F67 WeakPolarHBondContact O-CB 3.4Å; N63-F67 PolarHBondContact O-N 2.81Å; N63-L100 WeakPolarHBondContact CB-O 3.49Å; N63-L100 PolarHBondContact ND2-O 3.23Å; N63-S102 PolarHBondContact ND2-O 3.09Å; N63-F105 HydrophobicContact CB-CD1 3.81Å; N63-F105 HydrophobicContact CB-CE1 4.14Å; N63-C106 WeakPolarHBondContact OD1-CA 3.28Å; N63-C106 WeakPolarHBondContact OD1-CB 3.33Å; N63-C106 PolarHBondContact OD1-N 3.5Å; N63-L109 HydrophobicContact CB-CD1 4.18Å; N63-L109 WeakPolarHBondContact O-CD1 3.39Å
64E95.4Very high84.8Confident77 Ų7769.2 Ų69.236%0.3637%0.366SS..Hα-helixtrans-59.8-45.6173.8-77.2169.5-17700110.5K60 F67 E68K60-E64 WeakPolarHBondContact CE-OE1 3.45Å; K60-E64 WeakPolarHBondContact O-CB 3.37Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.48Å; E64-F67 PolarHBondContact O-N 3.48Å; E64-E68 WeakPolarHBondContact O-CG 3.29Å; E64-E68 PolarHBondContact O-N 3.39Å
65K96.2Very high87.6Confident150 Ų15070.6 Ų70.665%0.65235%0.348SS*.Hα-helixtrans-62.9-49.5177-176.1-174.5175.9-173.30113L61 E62 N63 F67 E68 E69L61-K65 WeakPolarHBondContact O-CB 3.32Å; L61-K65 PolarHBondContact O-N 2.85Å; E62-K65 PolarHBondContact O-N 2.93Å; N63-K65 VanDerWaalsContact C-N 3.34Å; K65-F67 VanDerWaalsContact C-N 3.3Å; K65-F67 PolarHBondContact O-N 3.4Å; K65-E68 PolarHBondContact O-N 3.19Å; K65-E69 WeakPolarHBondContact O-CB 3.43Å; K65-E69 PolarHBondContact O-N 3.38Å
66L96.5Very high90.2Very high24 Ų2474.8 Ų74.813%0.12636%0.355CS..Hα-helixtrans-64.3-37.2179-70.9173.4000111.3E62 E69 F70 L109 S110 L113E62-L66 HydrophobicContact CG-CD1 4.21Å; E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 WeakPolarHBondContact O-CG 3.15Å; E62-L66 PolarHBondContact O-N 2.82Å; L66-E69 PolarHBondContact O-N 3.45Å; L66-F70 PolarHBondContact O-N 2.84Å; L66-L109 HydrophobicContact CB-CB 3.94Å; L66-L109 HydrophobicContact CB-CD1 3.95Å; L66-L109 HydrophobicContact CD1-CB 4.18Å; L66-S110 WeakPolarHBondContact CD1-OG 3.33Å; L66-L113 HydrophobicContact CB-CD1 4.13Å; L66-L113 HydrophobicContact CD2-CD1 3.8Å; L66-L113 WeakPolarHBondContact O-CD1 3.32Å
67F96.9Very high91.9Very high6 Ų669.8 Ų69.83%0.02633%0.334CS..Hα-helixtrans-67.3-42.7176.5-174.5-110.8000111.8N63 E64 K65 E69 F70 L71 L88 Y89 Q92 F105 L109 L130 L134N63-F67 WeakPolarHBondContact O-CB 3.4Å; N63-F67 PolarHBondContact O-N 2.81Å; E64-F67 PolarHBondContact O-N 3.48Å; K65-F67 VanDerWaalsContact C-N 3.3Å; K65-F67 PolarHBondContact O-N 3.4Å; F67-E69 VanDerWaalsContact C-N 3.32Å; F67-E69 PolarHBondContact O-N 3.36Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-L71 HydrophobicContact CD1-CD1 4Å; F67-L71 HydrophobicContact CD1-CG 4.34Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CD2 4.43Å; F67-L71 HydrophobicContact CE1-CG 4.05Å; F67-L71 HydrophobicContact CZ-CD1 4.13Å; F67-L71 HydrophobicContact CZ-CD2 4.12Å; F67-L71 HydrophobicContact CZ-CG 4.19Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.02Å; F67-L88 HydrophobicContact CZ-CB 4.45Å; F67-Y89 HydrophobicContact CE1-CD2 4.44Å; F67-Q92 HydrophobicContact CD1-CG 4.03Å; F67-Q92 HydrophobicContact CE1-CB 3.69Å; F67-Q92 HydrophobicContact CE1-CG 3.68Å; F67-Q92 HydrophobicContact CE2-CB 4.17Å; F67-Q92 HydrophobicContact CE2-CG 4.31Å; F67-Q92 HydrophobicContact CG-CG 4.47Å; F67-Q92 HydrophobicContact CZ-CB 3.49Å; F67-Q92 VanDerWaalsContact CZ-CB 3.49Å; F67-Q92 HydrophobicContact CZ-CG 3.85Å; F67-F105 HydrophobicContact CD2-CZ 4.42Å; F67-L109 HydrophobicContact CB-CD1 4.1Å; F67-L109 HydrophobicContact CB-CD2 4.28Å; F67-L109 HydrophobicContact CD2-CD2 3.98Å; F67-L130 HydrophobicContact CD2-CD2 4.21Å; F67-L130 HydrophobicContact CE2-CD2 4.01Å; F67-L134 HydrophobicContact CE2-CD1 4.41Å
68E95.9Very high93.2Very high134 Ų13466.2 Ų66.263%0.62632%0.318SS*.Hα-helixtrans-60.4-41.9173.4-78.2-177.9179.600112.1E64 K65 F70 L71 E72E64-E68 WeakPolarHBondContact O-CG 3.29Å; E64-E68 PolarHBondContact O-N 3.39Å; K65-E68 PolarHBondContact O-N 3.19Å; E68-F70 VanDerWaalsContact C-N 3.35Å; E68-F70 PolarHBondContact O-N 2.85Å; E68-L71 PolarHBondContact O-N 3.48Å; E68-E72 PolarHBondContact O-N 2.87Å
69E96Very high93.6Very high86 Ų8665.9 Ų65.940%0.40232%0.322SS..Hα-helixtrans-63.6-40.1176.7-170172.8-153.600112.3K65 L66 F67 E72 L73 L113 R117K65-E69 WeakPolarHBondContact O-CB 3.43Å; K65-E69 PolarHBondContact O-N 3.38Å; L66-E69 PolarHBondContact O-N 3.45Å; F67-E69 VanDerWaalsContact C-N 3.32Å; F67-E69 PolarHBondContact O-N 3.36Å; E69-E72 PolarHBondContact O-N 2.98Å; E69-L73 PolarHBondContact O-N 3.1Å; E69-L73 VanDerWaalsContact O-N 3.08Å; E69-L113 HydrophobicContact CB-CD1 4.27Å; E69-L113 HydrophobicContact CB-CD2 4.5Å; E69-L113 HydrophobicContact CG-CD1 4.45Å; E69-L113 HydrophobicContact CG-CD2 4.16Å; E69-R117 IonicContact OE1-CZ 3.34Å; E69-R117 IonicContact OE1-NH2 3.54Å; E69-R117 PolarHBondContact OE1-NH2 3.49Å; E69-R117 IonicContact OE2-NH2 2.94Å; E69-R117 PolarHBondContact OE2-NH2 2.83Å
70F96.3Very high93.5Very high0 Ų068.9 Ų68.90%034%0.341CS..Hα-helixtrans-65.8-39.6173.8-174.7-100000112.1L66 F67 E68 E72 L73 C74 L88 V112 L113 A116 I127 L130L66-F70 PolarHBondContact O-N 2.84Å; F67-F70 PolarHBondContact O-N 3.45Å; E68-F70 VanDerWaalsContact C-N 3.35Å; E68-F70 PolarHBondContact O-N 2.85Å; F70-E72 VanDerWaalsContact C-N 3.33Å; F70-L73 PolarHBondContact O-N 3.02Å; F70-C74 WeakPolarHBondContact CE1-SG 3.49Å; F70-C74 PolarHBondContact O-N 3.35Å; F70-C74 PolarHBondContact O-SG 3.13Å; F70-L88 HydrophobicContact CD1-CD1 4.47Å; F70-L88 HydrophobicContact CE1-CD1 3.98Å; F70-V112 HydrophobicContact CD2-CG2 4.04Å; F70-V112 HydrophobicContact CE2-CB 4.22Å; F70-V112 HydrophobicContact CE2-CG2 3.99Å; F70-L113 HydrophobicContact CB-CD2 4Å; F70-L113 HydrophobicContact CB-CG 4.01Å; F70-L113 HydrophobicContact CD2-CD2 4.12Å; F70-L113 HydrophobicContact CD2-CG 4.1Å; F70-A116 HydrophobicContact CE2-CB 4.14Å; F70-I127 HydrophobicContact CE1-CG1 4.21Å; F70-I127 HydrophobicContact CZ-CG1 4.02Å; F70-L130 HydrophobicContact CD1-CD2 3.62Å; F70-L130 HydrophobicContact CE1-CD2 3.58Å; F70-L130 HydrophobicContact CG-CD2 4.4Å; F70-L130 HydrophobicContact CZ-CD2 4.33Å
71L95.5Very high93.3Very high11 Ų1167.6 Ų67.66%0.05834%0.336CS..Hα-helixtrans-64.1-38.6175.3-72.8-176.6000111.7F67 E68 C74 K75 V85 L88 Y89F67-L71 HydrophobicContact CD1-CD1 4Å; F67-L71 HydrophobicContact CD1-CG 4.34Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CD2 4.43Å; F67-L71 HydrophobicContact CE1-CG 4.05Å; F67-L71 HydrophobicContact CZ-CD1 4.13Å; F67-L71 HydrophobicContact CZ-CD2 4.12Å; F67-L71 HydrophobicContact CZ-CG 4.19Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.02Å; E68-L71 PolarHBondContact O-N 3.48Å; L71-C74 WeakPolarHBondContact O-CB 3.42Å; L71-C74 PolarHBondContact O-N 3.1Å; L71-K75 WeakPolarHBondContact O-CG 3.34Å; L71-K75 PolarHBondContact O-N 3.21Å; L71-V85 HydrophobicContact CD2-CG1 4.27Å; L71-L88 HydrophobicContact CD2-CB 3.83Å; L71-L88 HydrophobicContact CD2-CD1 4.03Å; L71-Y89 HydrophobicContact CD1-CD2 3.91Å
72E93.9Very high93.2Very high97 Ų9765.4 Ų65.445%0.45333%0.33SS..Hα-helixtrans-64.9-42.3176.7-159.558.7-148.300111.4E68 E69 F70 C74 K75 M76E68-E72 PolarHBondContact O-N 2.87Å; E69-E72 PolarHBondContact O-N 2.98Å; F70-E72 VanDerWaalsContact C-N 3.33Å; E72-C74 VanDerWaalsContact C-N 3.3Å; E72-C74 PolarHBondContact O-N 2.9Å; E72-K75 PolarHBondContact O-N 2.99Å; E72-K75 WeakPolarHBondContact OE2-CD 3.33Å; E72-K75 IonicContact OE2-NZ 3.25Å; E72-K75 PolarHBondContact OE2-NZ 3.42Å; E72-M76 WeakPolarHBondContact O-CG 3.22Å; E72-M76 PolarHBondContact O-N 3.2Å; E72-M76 VanDerWaalsContact O-N 3.12Å
73L93.4Very high93Very high31 Ų3167.3 Ų67.316%0.16234%0.339CS..Hα-helixtrans-59.7-40.7172.2-175.364.9000112.1E69 F70 M76 Q77 L113 A116 R117E69-L73 PolarHBondContact O-N 3.1Å; E69-L73 VanDerWaalsContact O-N 3.08Å; F70-L73 PolarHBondContact O-N 3.02Å; L73-M76 PolarHBondContact O-N 2.92Å; L73-Q77 VanDerWaalsContact CD1-NE2 3.33Å; L73-Q77 PolarHBondContact O-N 2.93Å; L73-L113 HydrophobicContact CD2-CD2 4.45Å; L73-A116 HydrophobicContact CD2-CB 3.45Å; L73-A116 VanDerWaalsContact CD2-CB 3.45Å; L73-R117 HydrophobicContact CD2-CG 4.33Å
74C94.1Very high92.8Very high0 Ų068.1 Ų68.10%034%0.344CS..Hα-helixtrans-63.7-46.5175.2-66.90000111.4F70 L71 E72 M76 Q77 T78 V85F70-C74 WeakPolarHBondContact CE1-SG 3.49Å; F70-C74 PolarHBondContact O-N 3.35Å; F70-C74 PolarHBondContact O-SG 3.13Å; L71-C74 WeakPolarHBondContact O-CB 3.42Å; L71-C74 PolarHBondContact O-N 3.1Å; E72-C74 VanDerWaalsContact C-N 3.3Å; E72-C74 PolarHBondContact O-N 2.9Å; C74-M76 PolarHBondContact O-N 3.47Å; C74-Q77 PolarHBondContact O-N 3.24Å; C74-Q77 VanDerWaalsContact O-N 3.09Å; C74-T78 PolarHBondContact O-N 3.48Å; C74-T78 PolarHBondContact O-OG1 3.41Å; C74-V85 HydrophobicContact CB-CG2 3.86Å
75K93Very high92.6Very high111 Ų11165.5 Ų65.548%0.48333%0.333SS..Hα-helixtrans-55.7-39.9177.7-70.8174.7-158.7160.60112.3L71 E72 Q77 V85L71-K75 WeakPolarHBondContact O-CG 3.34Å; L71-K75 PolarHBondContact O-N 3.21Å; E72-K75 PolarHBondContact O-N 2.99Å; E72-K75 WeakPolarHBondContact OE2-CD 3.33Å; E72-K75 IonicContact OE2-NZ 3.25Å; E72-K75 PolarHBondContact OE2-NZ 3.42Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; K75-V85 HydrophobicContact CG-CB 4.45Å; K75-V85 HydrophobicContact CG-CG1 4.11Å; K75-V85 HydrophobicContact CG-CG2 3.76Å
76M90.4Very high92.4Very high144 Ų14461.9 Ų61.971%0.70933%0.325SS*.Hα-helixtrans-69.2-31.4-180-69.7-179.768.100113.2E72 L73 C74E72-M76 WeakPolarHBondContact O-CG 3.22Å; E72-M76 PolarHBondContact O-N 3.2Å; E72-M76 VanDerWaalsContact O-N 3.12Å; L73-M76 PolarHBondContact O-N 2.92Å; C74-M76 PolarHBondContact O-N 3.47Å
77Q88.8Confident92.2Very high73 Ų7366 Ų6634%0.34134%0.342SS..Hα-helixtrans-112-18-167.7-67.3-15883.500114.8L73 C74 K75 L123L73-Q77 VanDerWaalsContact CD1-NE2 3.33Å; L73-Q77 PolarHBondContact O-N 2.93Å; C74-Q77 PolarHBondContact O-N 3.24Å; C74-Q77 VanDerWaalsContact O-N 3.09Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-L123 HydrophobicContact CB-CD2 3.31Å; Q77-L123 HydrophobicContact CG-CD2 4.23Å
78T90.2Very high92.1Very high2 Ų265.7 Ų65.71%0.01234%0.341CS..  trans-106.140.7176.271.30000111.4C74 D80 H81 V84 L123 Y124 I127C74-T78 PolarHBondContact O-N 3.48Å; C74-T78 PolarHBondContact O-OG1 3.41Å; T78-D80 VanDerWaalsContact C-OD1 3.22Å; T78-D80 WeakPolarHBondContact CA-OD1 3.48Å; T78-D80 PolarHBondContact O-N 3.04Å; T78-H81 CarbonylContact O-C 3.19Å; T78-H81 PolarHBondContact O-N 3.49Å; T78-V84 HydrophobicContact CG2-CG1 4.44Å; T78-L123 HydrophobicContact CG2-CD2 3.82Å; T78-Y124 HydrophobicContact CG2-CE1 3.98Å; T78-I127 HydrophobicContact CG2-CD1 3.88Å
79A87.7Confident92Very high83 Ų8365.3 Ų65.369%0.68633%0.334SS*.THydrogen-bonded Turntrans-63.5-24.6-177.700000113.2
80D87.8Confident91.7Very high103 Ų10366.2 Ų66.255%0.55134%0.342SS*.THydrogen-bonded Turntrans-72.2-26.9171.957.3-27000113.5T78 Y124T78-D80 VanDerWaalsContact C-OD1 3.22Å; T78-D80 WeakPolarHBondContact CA-OD1 3.48Å; T78-D80 PolarHBondContact O-N 3.04Å; D80-Y124 PolarHBondContact OD1-OH 3.1Å; D80-Y124 PolarHBondContact OD2-OH 3.17Å
81H88.1Confident91.5Very high80 Ų8068.1 Ų68.137%0.3735%0.349SS..  trans-129.372.7-178.1-71.4-68.8000111.9T78 E83 V84T78-H81 CarbonylContact O-C 3.19Å; T78-H81 PolarHBondContact O-N 3.49Å; H81-E83 IonicContact CE1-OE1 3.67Å; H81-E83 IonicContact CG-OE1 2.8Å; H81-E83 IonicContact ND1-OE1 3.64Å; H81-E83 PolarHBondContact ND1-OE1 3.23Å; H81-E83 PolarHBondContact O-N 3.3Å; H81-E83 VanDerWaalsContact O-N 3.12Å; H81-V84 HydrophobicContact CB-CG2 3.84Å; H81-V84 WeakPolarHBondContact O-CB 3.13Å; H81-V84 VanDerWaalsContact O-CG2 3.31Å; H81-V84 WeakPolarHBondContact O-CG2 3.43Å; H81-V84 PolarHBondContact O-N 2.82Å
82P89.7Confident91.3Very high88 Ų8868.5 Ų68.557%0.57135%0.351SS*.THydrogen-bonded Turntrans-64.6-16.5-177.828.4-36.3000113.5V84 P86P82-V84 PolarHBondContact O-N 3.41Å; P82-P86 WeakPolarHBondContact O-CD 3.15Å
83E89.8Confident91.2Very high111 Ų11169.2 Ų69.252%0.51935%0.354SS..THydrogen-bonded Turntrans-64.9-20.5174.760.5-89.5-161.600114.2H81 P86 F87H81-E83 IonicContact CE1-OE1 3.67Å; H81-E83 IonicContact CG-OE1 2.8Å; H81-E83 IonicContact ND1-OE1 3.64Å; H81-E83 PolarHBondContact ND1-OE1 3.23Å; H81-E83 PolarHBondContact O-N 3.3Å; H81-E83 VanDerWaalsContact O-N 3.12Å; E83-P86 WeakPolarHBondContact O-CD 3.33Å; E83-F87 VanDerWaalsContact O-CB 3.24Å; E83-F87 WeakPolarHBondContact O-CB 3.3Å; E83-F87 PolarHBondContact O-N 2.91Å; E83-F87 VanDerWaalsContact O-N 3.08Å
84V92.4Very high91.1Very high19 Ų1974 Ų7412%0.11537%0.37CS..Hα-helixtrans-64-44.6-175.6171.50000112.2T78 H81 P82 F87 L88 Y124 I127T78-V84 HydrophobicContact CG2-CG1 4.44Å; H81-V84 HydrophobicContact CB-CG2 3.84Å; H81-V84 WeakPolarHBondContact O-CB 3.13Å; H81-V84 VanDerWaalsContact O-CG2 3.31Å; H81-V84 WeakPolarHBondContact O-CG2 3.43Å; H81-V84 PolarHBondContact O-N 2.82Å; P82-V84 PolarHBondContact O-N 3.41Å; V84-F87 WeakPolarHBondContact O-CB 3.47Å; V84-F87 PolarHBondContact O-N 3.46Å; V84-L88 HydrophobicContact CG1-CD1 4.26Å; V84-L88 PolarHBondContact O-N 2.86Å; V84-Y124 HydrophobicContact CG2-CE1 4.28Å; V84-I127 HydrophobicContact CG1-CD1 3.82Å; V84-I127 HydrophobicContact CG1-CG1 4.47Å; V84-I127 HydrophobicContact CG1-CG2 4.01Å
85V92.8Very high91.1Very high23 Ų2374.5 Ų74.514%0.13937%0.374CS..Hα-helixtrans-67.5-49.5-176.4169.10000111.5L71 C74 K75 F87 L88 Y89L71-V85 HydrophobicContact CD2-CG1 4.27Å; C74-V85 HydrophobicContact CB-CG2 3.86Å; K75-V85 HydrophobicContact CG-CB 4.45Å; K75-V85 HydrophobicContact CG-CG1 4.11Å; K75-V85 HydrophobicContact CG-CG2 3.76Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 2.77Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-Y89 PolarHBondContact O-N 3.04Å
86P91.7Very high91.1Very high73 Ų7373.5 Ų73.547%0.47437%0.371SS..Hα-helixtrans-58.2-35.1171-24.733.5000113.6P82 E83 N90P82-P86 WeakPolarHBondContact O-CD 3.15Å; E83-P86 WeakPolarHBondContact O-CD 3.33Å; P86-N90 WeakPolarHBondContact O-CB 3.41Å; P86-N90 PolarHBondContact O-N 2.94Å
87F92.1Very high91.1Very high110 Ų11070.8 Ų70.848%0.48237%0.366SS..Hα-helixtrans-66.8-46.7178.4180-99.9000112.2E83 V84 V85 N90 R91E83-F87 VanDerWaalsContact O-CB 3.24Å; E83-F87 WeakPolarHBondContact O-CB 3.3Å; E83-F87 PolarHBondContact O-N 2.91Å; E83-F87 VanDerWaalsContact O-N 3.08Å; V84-F87 WeakPolarHBondContact O-CB 3.47Å; V84-F87 PolarHBondContact O-N 3.46Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 2.77Å; F87-N90 PolarHBondContact O-N 3.34Å; F87-R91 PolarHBondContact O-N 3.28Å
88L94.2Very high91.2Very high0 Ų073.5 Ų73.50%038%0.382CS..Hα-helixtrans-60.6-45.3174.6-85.5169.7000111.7F67 F70 L71 V84 V85 N90 R91 Q92 I127 L130 C131F67-L88 HydrophobicContact CZ-CB 4.45Å; F70-L88 HydrophobicContact CD1-CD1 4.47Å; F70-L88 HydrophobicContact CE1-CD1 3.98Å; L71-L88 HydrophobicContact CD2-CB 3.83Å; L71-L88 HydrophobicContact CD2-CD1 4.03Å; V84-L88 HydrophobicContact CG1-CD1 4.26Å; V84-L88 PolarHBondContact O-N 2.86Å; V85-L88 PolarHBondContact O-N 3.49Å; L88-N90 PolarHBondContact O-N 3.47Å; L88-R91 WeakPolarHBondContact O-CB 3.35Å; L88-R91 PolarHBondContact O-N 3.04Å; L88-Q92 PolarHBondContact O-N 3.28Å; L88-I127 HydrophobicContact CD1-CG1 4.34Å; L88-I127 HydrophobicContact CD1-CG2 4.06Å; L88-I127 HydrophobicContact CD2-CG2 4.39Å; L88-I127 HydrophobicContact CG-CG2 4.29Å; L88-L130 HydrophobicContact CD2-CD2 4.24Å; L88-L130 HydrophobicContact CD2-CG 4.5Å; L88-C131 WeakPolarHBondContact CD2-SG 3.46Å
89Y93.1Very high91.4Very high126 Ų12674 Ų7449%0.49438%0.384SS..Hα-helixtrans-58.9-47.8177.6-163.3-86.6000111.2F67 L71 V85 R91 Q92 Q93F67-Y89 HydrophobicContact CE1-CD2 4.44Å; L71-Y89 HydrophobicContact CD1-CD2 3.91Å; V85-Y89 PolarHBondContact O-N 3.04Å; Y89-R91 VanDerWaalsContact C-N 3.25Å; Y89-R91 PolarHBondContact O-N 3.42Å; Y89-Q92 PolarHBondContact O-N 3.41Å; Y89-Q93 HydrophobicContact CD1-CG 3.97Å; Y89-Q93 HydrophobicContact CE1-CG 3.84Å; Y89-Q93 WeakPolarHBondContact O-CG 3.45Å; Y89-Q93 PolarHBondContact O-N 3.03Å
90N90.7Very high91.8Very high105 Ų10571.3 Ų71.356%0.56136%0.359SS*.Hα-helixtrans-60.4-33.5174.5-101.1-51.9000113.1P86 F87 L88 R94P86-N90 WeakPolarHBondContact O-CB 3.41Å; P86-N90 PolarHBondContact O-N 2.94Å; F87-N90 PolarHBondContact O-N 3.34Å; L88-N90 PolarHBondContact O-N 3.47Å; N90-R94 WeakPolarHBondContact O-CG 3.2Å; N90-R94 PolarHBondContact O-N 2.95Å
91R91.2Very high92.1Very high40 Ų4067.6 Ų67.615%0.15134%0.342CS..Hα-helixtrans-68.3-42.7177.5-152.679.3-166.2167.510.9111.4F87 L88 Y89 R94 A95 L134 K135F87-R91 PolarHBondContact O-N 3.28Å; L88-R91 WeakPolarHBondContact O-CB 3.35Å; L88-R91 PolarHBondContact O-N 3.04Å; Y89-R91 VanDerWaalsContact C-N 3.25Å; Y89-R91 PolarHBondContact O-N 3.42Å; R91-R94 PolarHBondContact O-N 2.9Å; R91-A95 PolarHBondContact O-N 3.09Å; R91-L134 HydrophobicContact CB-CB 4.26Å; R91-L134 HydrophobicContact CB-CD1 4.02Å; R91-L134 HydrophobicContact CG-CB 3.58Å; R91-L134 HydrophobicContact CG-CD1 4.21Å; R91-K135 VanDerWaalsContact NH2-CB 3.27Å
92Q92.7Very high92.4Very high19 Ų1965.1 Ų65.19%0.08933%0.333CS..Hα-helixtrans-63.8-42.9177.5-174.1-88.6-0.600111.1F67 L88 Y89 R94 A95 L100 L134F67-Q92 HydrophobicContact CD1-CG 4.03Å; F67-Q92 HydrophobicContact CE1-CB 3.69Å; F67-Q92 HydrophobicContact CE1-CG 3.68Å; F67-Q92 HydrophobicContact CE2-CB 4.17Å; F67-Q92 HydrophobicContact CE2-CG 4.31Å; F67-Q92 HydrophobicContact CG-CG 4.47Å; F67-Q92 HydrophobicContact CZ-CB 3.49Å; F67-Q92 VanDerWaalsContact CZ-CB 3.49Å; F67-Q92 HydrophobicContact CZ-CG 3.85Å; L88-Q92 PolarHBondContact O-N 3.28Å; Y89-Q92 PolarHBondContact O-N 3.41Å; Q92-R94 PolarHBondContact O-N 2.96Å; Q92-R94 VanDerWaalsContact O-N 3.16Å; Q92-A95 WeakPolarHBondContact O-CB 3.15Å; Q92-A95 PolarHBondContact O-N 3.39Å; Q92-L100 HydrophobicContact CG-CD2 3.85Å; Q92-L134 HydrophobicContact CB-CD1 4.18Å; Q92-L134 HydrophobicContact CB-CD2 4.47Å
93Q91.8Very high92.6Very high112 Ų11262.8 Ų62.852%0.52332%0.322SS..Hα-helixtrans-63.5-22176.2-66.3-63.2-33.700114Y89Y89-Q93 HydrophobicContact CD1-CG 3.97Å; Y89-Q93 HydrophobicContact CE1-CG 3.84Å; Y89-Q93 WeakPolarHBondContact O-CG 3.45Å; Y89-Q93 PolarHBondContact O-N 3.03Å
94R91.4Very high92.8Very high132 Ų13262.2 Ų62.250%0.49832%0.319SS..THydrogen-bonded Turntrans-91.4-10.3176.2-69.318071.6173.76.1113.4N90 R91 Q92 S138 A139N90-R94 WeakPolarHBondContact O-CG 3.2Å; N90-R94 PolarHBondContact O-N 2.95Å; R91-R94 PolarHBondContact O-N 2.9Å; Q92-R94 PolarHBondContact O-N 2.96Å; Q92-R94 VanDerWaalsContact O-N 3.16Å; R94-S138 WeakPolarHBondContact O-CA 3.29Å; R94-S138 WeakPolarHBondContact O-CB 3.33Å; R94-A139 PolarHBondContact O-N 3.39Å; R94-A139 VanDerWaalsContact O-N 3.1Å
95A92.8Very high93Very high11 Ų1161.3 Ų61.39%0.09131%0.314CS..BIsolated β-bridgetrans-73.7153.4177.700000111.2R91 Q92 F99 L100 L134 H137R91-A95 PolarHBondContact O-N 3.09Å; Q92-A95 WeakPolarHBondContact O-CB 3.15Å; Q92-A95 PolarHBondContact O-N 3.39Å; A95-F99 HydrophobicContact CB-CD1 4.47Å; A95-L100 HydrophobicContact CB-CD1 4.29Å; A95-L100 HydrophobicContact CB-CD2 3.87Å; A95-L100 HydrophobicContact CB-CG 4.05Å; A95-L134 HydrophobicContact CB-CD2 3.88Å; A95-H137 CarbonylContact C-O 3.58Å; A95-H137 WeakPolarHBondContact CA-O 3.45Å
96H92.9Very high93.1Very high90 Ų9060.6 Ų60.642%0.41731%0.309SS..  trans-68134.6-179.2-164.3-83.8000110.8L98 F99 L100 H137H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 WeakPolarHBondContact ND1-CB 3.41Å; H96-L98 PolarHBondContact ND1-N 2.82Å; H96-L98 PolarHBondContact O-N 3.12Å; H96-F99 HydrophobicContact CB-CB 4.43Å; H96-F99 WeakPolarHBondContact O-CB 3.41Å; H96-F99 PolarHBondContact O-N 2.92Å; H96-L100 PolarHBondContact O-N 3.24Å; H96-L100 VanDerWaalsContact O-N 3.07Å; H96-H137 WeakPolarHBondContact CB-O 3.23Å; H96-H137 PolarHBondContact N-O 3.49Å
97S91.5Very high93.3Very high87 Ų8761.4 Ų61.461%0.60831%0.31SS*.Hα-helixtrans-57.7-38-176.252.40000113.4F99 L100 A101S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.32Å; S97-L100 PolarHBondContact O-N 3.12Å; S97-A101 PolarHBondContact O-N 3.27Å
98L91.2Very high93.5Very high129 Ų12957 Ų5768%0.67529%0.291SS*.Hα-helixtrans-63.2-37.7175.6-63.2179000113H96 A101 S102H96-L98 VanDerWaalsContact C-N 3.28Å; H96-L98 WeakPolarHBondContact ND1-CB 3.41Å; H96-L98 PolarHBondContact ND1-N 2.82Å; H96-L98 PolarHBondContact O-N 3.12Å; L98-A101 PolarHBondContact O-N 3.47Å; L98-S102 PolarHBondContact O-N 2.9Å
99F94.7Very high93.6Very high12 Ų1257 Ų575%0.05329%0.291CS..Hα-helixtrans-69.9-41.4176.7171.5-100.7000110.8A95 H96 S97 A101 S102 E104 F105 V133 L134 H137A95-F99 HydrophobicContact CB-CD1 4.47Å; H96-F99 HydrophobicContact CB-CB 4.43Å; H96-F99 WeakPolarHBondContact O-CB 3.41Å; H96-F99 PolarHBondContact O-N 2.92Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.32Å; F99-A101 PolarHBondContact O-N 3.02Å; F99-A101 VanDerWaalsContact O-N 3.14Å; F99-S102 WeakPolarHBondContact O-CB 3.15Å; F99-S102 PolarHBondContact O-N 2.97Å; F99-S102 PolarHBondContact O-OG 3.44Å; F99-E104 HydrophobicContact CE2-CG 4.45Å; F99-F105 HydrophobicContact CD1-CD2 4.4Å; F99-F105 HydrophobicContact CD1-CG 4.44Å; F99-F105 HydrophobicContact CE1-CB 4.05Å; F99-F105 AromaticContact CE1-CD2 3.39Å; F99-F105 HydrophobicContact CE1-CD2 3.39Å; F99-F105 AromaticContact CE1-CE2 3.95Å; F99-F105 HydrophobicContact CE1-CE2 3.95Å; F99-F105 AromaticContact CE1-CG 3.79Å; F99-F105 HydrophobicContact CE1-CG 3.79Å; F99-F105 HydrophobicContact CE2-CB 4.11Å; F99-F105 HydrophobicContact CZ-CB 3.8Å; F99-F105 AromaticContact CZ-CD2 3.47Å; F99-F105 HydrophobicContact CZ-CD2 3.47Å; F99-F105 VanDerWaalsContact CZ-CD2 3.47Å; F99-F105 HydrophobicContact CZ-CE2 4.36Å; F99-F105 AromaticContact CZ-CG 3.92Å; F99-F105 HydrophobicContact CZ-CG 3.92Å; F99-F105 VanDerWaalsContact O-CB 3.29Å; F99-F105 WeakPolarHBondContact O-CB 3.36Å; F99-V133 HydrophobicContact CE1-CG1 4.03Å; F99-V133 HydrophobicContact CE2-CG1 4.25Å; F99-V133 HydrophobicContact CZ-CG1 3.37Å; F99-L134 HydrophobicContact CE1-CD2 4.15Å; F99-H137 HydrophobicContact CB-CB 3.91Å; F99-H137 HydrophobicContact CD1-CB 3.56Å; F99-H137 AromaticContact CD1-CG 3.88Å; F99-H137 HydrophobicContact CD2-CB 3.96Å; F99-H137 AromaticContact CD2-CD2 3.57Å; F99-H137 AromaticContact CD2-CE1 3.72Å; F99-H137 AromaticContact CD2-CG 3.4Å; F99-H137 AromaticContact CD2-ND1 3.5Å; F99-H137 AromaticContact CD2-NE2 3.82Å; F99-H137 HydrophobicContact CE1-CB 4.08Å; F99-H137 AromaticContact CE1-CD2 3.95Å; F99-H137 HydrophobicContact CE2-CB 4.43Å; F99-H137 AromaticContact CE2-CD2 3.32Å; F99-H137 WeakPolarHBondContact CE2-CD2 3.42Å; F99-H137 AromaticContact CE2-CE1 3.86Å; F99-H137 AromaticContact CE2-CG 3.68Å; F99-H137 AromaticContact CE2-ND1 4Å; F99-H137 AromaticContact CE2-NE2 3.5Å; F99-H137 HydrophobicContact CG-CB 3.5Å; F99-H137 VanDerWaalsContact CG-CB 3.5Å; F99-H137 AromaticContact CG-CD2 3.99Å; F99-H137 AromaticContact CG-CG 3.51Å; F99-H137 AromaticContact CG-ND1 3.9Å; F99-H137 HydrophobicContact CZ-CB 4.5Å; F99-H137 AromaticContact CZ-CD2 3.54Å
100L95.3Very high93.7Very high28 Ų2853.1 Ų53.115%0.14728%0.282CS..Hα-helixtrans-63.1-20.8176.2-64.3176.6000113.5N63 Q92 A95 H96 S97 F105 L134N63-L100 WeakPolarHBondContact CB-O 3.49Å; N63-L100 PolarHBondContact ND2-O 3.23Å; Q92-L100 HydrophobicContact CG-CD2 3.85Å; A95-L100 HydrophobicContact CB-CD1 4.29Å; A95-L100 HydrophobicContact CB-CD2 3.87Å; A95-L100 HydrophobicContact CB-CG 4.05Å; H96-L100 PolarHBondContact O-N 3.24Å; H96-L100 VanDerWaalsContact O-N 3.07Å; S97-L100 PolarHBondContact O-N 3.12Å; L100-F105 HydrophobicContact CD2-CD1 4.11Å; L100-F105 HydrophobicContact CD2-CE1 3.65Å; L100-F105 HydrophobicContact CD2-CZ 3.99Å; L100-L134 HydrophobicContact CD2-CD2 4.19Å
101A94.5Very high94Very high24 Ų2451.9 Ų51.920%0.19827%0.27CS..THydrogen-bonded Turntrans-98.73175.200000113.8Y59 K60 S97 L98 F99Y59-A101 PolarHBondContact N-O 3.49Å; Y59-A101 VanDerWaalsContact N-O 3.1Å; K60-A101 HydrophobicContact CB-CB 4.05Å; S97-A101 PolarHBondContact O-N 3.27Å; L98-A101 PolarHBondContact O-N 3.47Å; F99-A101 PolarHBondContact O-N 3.02Å; F99-A101 VanDerWaalsContact O-N 3.14Å
102S94Very high94.2Very high28 Ų2850 Ų5020%0.19626%0.263CS..SBendtrans-84.3154.5-174.179.70000113N63 L98 F99 E104 F105 C106N63-S102 PolarHBondContact ND2-O 3.09Å; L98-S102 PolarHBondContact O-N 2.9Å; F99-S102 WeakPolarHBondContact O-CB 3.15Å; F99-S102 PolarHBondContact O-N 2.97Å; F99-S102 PolarHBondContact O-OG 3.44Å; S102-E104 VanDerWaalsContact C-N 3.26Å; S102-E104 PolarHBondContact OG-N 3.4Å; S102-F105 PolarHBondContact O-N 3.39Å; S102-F105 PolarHBondContact OG-N 3.12Å; S102-F105 VanDerWaalsContact OG-N 3.11Å; S102-C106 PolarHBondContact O-N 3.02Å
103A93.6Very high94.4Very high40 Ų4049.1 Ų49.133%0.33126%0.259SS..Hα-helixtrans-64.1-33.1169.700000111.9Y59 F105 C106 N107Y59-A103 HydrophobicContact CD2-CB 3.78Å; Y59-A103 HydrophobicContact CE2-CB 3.51Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.31Å; A103-C106 VanDerWaalsContact O-CB 3.29Å; A103-C106 WeakPolarHBondContact O-CB 3.4Å; A103-C106 PolarHBondContact O-N 2.9Å; A103-C106 VanDerWaalsContact O-N 3.14Å; A103-N107 PolarHBondContact O-N 3.08Å
104E94.6Very high94.5Very high98 Ų9847.1 Ų47.146%0.45826%0.257SS..Hα-helixtrans-56.8-47.4175.2-174.4-165.616300111.1F99 S102 C106 N107 I108 H137F99-E104 HydrophobicContact CE2-CG 4.45Å; S102-E104 VanDerWaalsContact C-N 3.26Å; S102-E104 PolarHBondContact OG-N 3.4Å; E104-C106 VanDerWaalsContact C-N 3.32Å; E104-C106 PolarHBondContact O-N 2.83Å; E104-N107 PolarHBondContact O-N 3.48Å; E104-I108 HydrophobicContact CG-CD1 4.01Å; E104-I108 VanDerWaalsContact O-CG1 3.24Å; E104-I108 WeakPolarHBondContact O-CG1 3.17Å; E104-I108 PolarHBondContact O-N 2.85Å; E104-H137 IonicContact OE1-CE1 2.67Å; E104-H137 IonicContact OE1-NE2 2.85Å
105F96.1Very high94.8Very high1 Ų146.1 Ų46.10%0.00425%0.254CS..Hα-helixtrans-66.2-35.3177.7-171.5-129.2000112.1N63 F67 F99 L100 S102 A103 I108 L109 L130 L134N63-F105 HydrophobicContact CB-CD1 3.81Å; N63-F105 HydrophobicContact CB-CE1 4.14Å; F67-F105 HydrophobicContact CD2-CZ 4.42Å; F99-F105 HydrophobicContact CD1-CD2 4.4Å; F99-F105 HydrophobicContact CD1-CG 4.44Å; F99-F105 HydrophobicContact CE1-CB 4.05Å; F99-F105 AromaticContact CE1-CD2 3.39Å; F99-F105 HydrophobicContact CE1-CD2 3.39Å; F99-F105 AromaticContact CE1-CE2 3.95Å; F99-F105 HydrophobicContact CE1-CE2 3.95Å; F99-F105 AromaticContact CE1-CG 3.79Å; F99-F105 HydrophobicContact CE1-CG 3.79Å; F99-F105 HydrophobicContact CE2-CB 4.11Å; F99-F105 HydrophobicContact CZ-CB 3.8Å; F99-F105 AromaticContact CZ-CD2 3.47Å; F99-F105 HydrophobicContact CZ-CD2 3.47Å; F99-F105 VanDerWaalsContact CZ-CD2 3.47Å; F99-F105 HydrophobicContact CZ-CE2 4.36Å; F99-F105 AromaticContact CZ-CG 3.92Å; F99-F105 HydrophobicContact CZ-CG 3.92Å; F99-F105 VanDerWaalsContact O-CB 3.29Å; F99-F105 WeakPolarHBondContact O-CB 3.36Å; L100-F105 HydrophobicContact CD2-CD1 4.11Å; L100-F105 HydrophobicContact CD2-CE1 3.65Å; L100-F105 HydrophobicContact CD2-CZ 3.99Å; S102-F105 PolarHBondContact O-N 3.39Å; S102-F105 PolarHBondContact OG-N 3.12Å; S102-F105 VanDerWaalsContact OG-N 3.11Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.31Å; F105-I108 PolarHBondContact O-N 3.17Å; F105-L109 HydrophobicContact CD1-CD1 3.87Å; F105-L109 HydrophobicContact CD2-CD1 4.46Å; F105-L109 HydrophobicContact CD2-CG 4.26Å; F105-L109 HydrophobicContact CE1-CD1 3.53Å; F105-L109 HydrophobicContact CE1-CG 4.24Å; F105-L109 HydrophobicContact CE2-CD1 4.18Å; F105-L109 HydrophobicContact CE2-CD2 4.15Å; F105-L109 HydrophobicContact CE2-CG 3.97Å; F105-L109 HydrophobicContact CG-CD1 4.32Å; F105-L109 HydrophobicContact CZ-CD1 3.7Å; F105-L109 HydrophobicContact CZ-CD2 4.04Å; F105-L109 HydrophobicContact CZ-CG 3.95Å; F105-L109 WeakPolarHBondContact O-CB 3.26Å; F105-L109 WeakPolarHBondContact O-CG 3.17Å; F105-L109 PolarHBondContact O-N 3.19Å; F105-L130 HydrophobicContact CE2-CD1 3.97Å; F105-L134 HydrophobicContact CE2-CD2 3.76Å; F105-L134 HydrophobicContact CE2-CG 4.48Å; F105-L134 HydrophobicContact CZ-CD2 3.95Å
106C95.6Very high94.8Very high7 Ų745.6 Ų45.65%0.04725%0.249CC..Hα-helixtrans-60-49.2173.5-169.50000111.9Y59 N63 S102 A103 E104 I108 L109 S110Y59-C106 HydrophobicContact CD1-CB 3.74Å; Y59-C106 HydrophobicContact CE1-CB 4.39Å; Y59-C106 HydrophobicContact CG-CB 4.15Å; N63-C106 WeakPolarHBondContact OD1-CA 3.28Å; N63-C106 WeakPolarHBondContact OD1-CB 3.33Å; N63-C106 PolarHBondContact OD1-N 3.5Å; S102-C106 PolarHBondContact O-N 3.02Å; A103-C106 VanDerWaalsContact O-CB 3.29Å; A103-C106 WeakPolarHBondContact O-CB 3.4Å; A103-C106 PolarHBondContact O-N 2.9Å; A103-C106 VanDerWaalsContact O-N 3.14Å; E104-C106 VanDerWaalsContact C-N 3.32Å; E104-C106 PolarHBondContact O-N 2.83Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.04Å; C106-L109 PolarHBondContact O-N 3.4Å; C106-S110 WeakPolarHBondContact O-CB 3.46Å; C106-S110 PolarHBondContact O-N 3.49Å; C106-S110 PolarHBondContact O-OG 3.38Å
107N95.4Very high94.9Very high90 Ų9047.2 Ų47.248%0.48125%0.252SS..Hα-helixtrans-63.1-42179-72.5-16.8000111.4A103 E104 R111A103-N107 PolarHBondContact O-N 3.08Å; E104-N107 PolarHBondContact O-N 3.48Å; N107-R111 VanDerWaalsContact O-CB 3.27Å; N107-R111 WeakPolarHBondContact O-CB 3.33Å; N107-R111 PolarHBondContact O-N 2.85Å
108I96.2Very high95Very high17 Ų1747.1 Ų47.19%0.08725%0.251CS..Hα-helixtrans-62.2-49.1175.9-68.4168000110.5E104 F105 C106 R111 V112 L130 V133E104-I108 HydrophobicContact CG-CD1 4.01Å; E104-I108 VanDerWaalsContact O-CG1 3.24Å; E104-I108 WeakPolarHBondContact O-CG1 3.17Å; E104-I108 PolarHBondContact O-N 2.85Å; F105-I108 PolarHBondContact O-N 3.17Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.04Å; I108-R111 PolarHBondContact O-N 3.41Å; I108-V112 WeakPolarHBondContact O-CG1 3.22Å; I108-V112 WeakPolarHBondContact O-CG2 3.46Å; I108-V112 PolarHBondContact O-N 3.03Å; I108-L130 HydrophobicContact CG2-CD1 4.14Å; I108-V133 HydrophobicContact CD1-CG1 3.7Å; I108-V133 HydrophobicContact CD1-CG2 4.18Å; I108-V133 HydrophobicContact CG2-CG1 4.43Å; I108-V133 HydrophobicContact CG2-CG2 4.3Å
109L96.8Very high95.2Very high0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-60.1-47.1178.9-76.9174.5000112.1N63 L66 F67 F105 C106 R111 V112 L113 L130N63-L109 HydrophobicContact CB-CD1 4.18Å; N63-L109 WeakPolarHBondContact O-CD1 3.39Å; L66-L109 HydrophobicContact CB-CB 3.94Å; L66-L109 HydrophobicContact CB-CD1 3.95Å; L66-L109 HydrophobicContact CD1-CB 4.18Å; F67-L109 HydrophobicContact CB-CD1 4.1Å; F67-L109 HydrophobicContact CB-CD2 4.28Å; F67-L109 HydrophobicContact CD2-CD2 3.98Å; F105-L109 HydrophobicContact CD1-CD1 3.87Å; F105-L109 HydrophobicContact CD2-CD1 4.46Å; F105-L109 HydrophobicContact CD2-CG 4.26Å; F105-L109 HydrophobicContact CE1-CD1 3.53Å; F105-L109 HydrophobicContact CE1-CG 4.24Å; F105-L109 HydrophobicContact CE2-CD1 4.18Å; F105-L109 HydrophobicContact CE2-CD2 4.15Å; F105-L109 HydrophobicContact CE2-CG 3.97Å; F105-L109 HydrophobicContact CG-CD1 4.32Å; F105-L109 HydrophobicContact CZ-CD1 3.7Å; F105-L109 HydrophobicContact CZ-CD2 4.04Å; F105-L109 HydrophobicContact CZ-CG 3.95Å; F105-L109 WeakPolarHBondContact O-CB 3.26Å; F105-L109 WeakPolarHBondContact O-CG 3.17Å; F105-L109 PolarHBondContact O-N 3.19Å; C106-L109 PolarHBondContact O-N 3.4Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 3.23Å; L109-V112 VanDerWaalsContact O-CG2 3.27Å; L109-V112 WeakPolarHBondContact O-CG2 3.2Å; L109-V112 PolarHBondContact O-N 2.99Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 PolarHBondContact O-N 2.94Å; L109-L130 HydrophobicContact CD2-CD1 3.89Å; L109-L130 HydrophobicContact CD2-CD2 4.09Å
110S95.7Very high95.1Very high45 Ų4549.9 Ų49.932%0.31526%0.26SS..Hα-helixtrans-59.8-41.9178-61.60000111.7L66 C106 S114L66-S110 WeakPolarHBondContact CD1-OG 3.33Å; C106-S110 WeakPolarHBondContact O-CB 3.46Å; C106-S110 PolarHBondContact O-N 3.49Å; C106-S110 PolarHBondContact O-OG 3.38Å; S110-S114 WeakPolarHBondContact O-CB 3.46Å; S110-S114 PolarHBondContact O-N 2.82Å; S110-S114 PolarHBondContact O-OG 2.71Å
111R95.7Very high94.9Very high79 Ų7953.5 Ų53.530%0.29829%0.294SS..Hα-helixtrans-65.7-49.1176.8-173.7175.975.8-168.21.4112.2N107 I108 L109 S114 R115 E129N107-R111 VanDerWaalsContact O-CB 3.27Å; N107-R111 WeakPolarHBondContact O-CB 3.33Å; N107-R111 PolarHBondContact O-N 2.85Å; I108-R111 PolarHBondContact O-N 3.41Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 3.23Å; R111-S114 PolarHBondContact O-N 3.16Å; R111-R115 WeakPolarHBondContact O-CB 3.31Å; R111-R115 VanDerWaalsContact O-CG 3.27Å; R111-R115 WeakPolarHBondContact O-CG 3.26Å; R111-R115 PolarHBondContact O-N 3.01Å; R111-E129 IonicContact CZ-OE1 3.96Å; R111-E129 IonicContact NE-OE1 2.99Å; R111-E129 PolarHBondContact NE-OE1 3.21Å; R111-E129 IonicContact NH2-OE1 3.56Å; R111-E129 PolarHBondContact NH2-OE1 3.38Å
112V96.1Very high94.9Very high0 Ų056.8 Ų56.80%030%0.304CS..Hα-helixtrans-67.6-36.2-179.3-61.30000111.8F70 I108 L109 A116 E129F70-V112 HydrophobicContact CD2-CG2 4.04Å; F70-V112 HydrophobicContact CE2-CB 4.22Å; F70-V112 HydrophobicContact CE2-CG2 3.99Å; I108-V112 WeakPolarHBondContact O-CG1 3.22Å; I108-V112 WeakPolarHBondContact O-CG2 3.46Å; I108-V112 PolarHBondContact O-N 3.03Å; L109-V112 VanDerWaalsContact O-CG2 3.27Å; L109-V112 WeakPolarHBondContact O-CG2 3.2Å; L109-V112 PolarHBondContact O-N 2.99Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.44Å; V112-E129 HydrophobicContact CG1-CG 4.45Å
113L96Very high94.9Very high2 Ų255.6 Ų55.61%0.0130%0.295CS..Hα-helixtrans-62.5-50.5174.1-95.9168.9000111.9L66 E69 F70 L73 L109 R115 A116 R117L66-L113 HydrophobicContact CB-CD1 4.13Å; L66-L113 HydrophobicContact CD2-CD1 3.8Å; L66-L113 WeakPolarHBondContact O-CD1 3.32Å; E69-L113 HydrophobicContact CB-CD1 4.27Å; E69-L113 HydrophobicContact CB-CD2 4.5Å; E69-L113 HydrophobicContact CG-CD1 4.45Å; E69-L113 HydrophobicContact CG-CD2 4.16Å; F70-L113 HydrophobicContact CB-CD2 4Å; F70-L113 HydrophobicContact CB-CG 4.01Å; F70-L113 HydrophobicContact CD2-CD2 4.12Å; F70-L113 HydrophobicContact CD2-CG 4.1Å; L73-L113 HydrophobicContact CD2-CD2 4.45Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 PolarHBondContact O-N 2.94Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 2.76Å; L113-A116 PolarHBondContact O-N 3.32Å; L113-R117 WeakPolarHBondContact O-CG 3.2Å; L113-R117 PolarHBondContact O-N 2.7Å
114S95.2Very high95Very high70 Ų7058.4 Ų58.449%0.4930%0.298SS..Hα-helixtrans-62.4-41.1-179-57.10000111.7S110 R111 S118S110-S114 WeakPolarHBondContact O-CB 3.46Å; S110-S114 PolarHBondContact O-N 2.82Å; S110-S114 PolarHBondContact O-OG 2.71Å; R111-S114 PolarHBondContact O-N 3.16Å; S114-S118 PolarHBondContact O-N 3.47Å; S114-S118 VanDerWaalsContact O-N 3.12Å; S114-S118 PolarHBondContact O-OG 2.94Å
115R96.3Very high95Very high111 Ų11157.9 Ų57.942%0.41930%0.301SS..Hα-helixtrans-67.8-39.4175-71.4177.3176.7-173.3-3112.6R111 L113 S118 R119 Y126R111-R115 WeakPolarHBondContact O-CB 3.31Å; R111-R115 VanDerWaalsContact O-CG 3.27Å; R111-R115 WeakPolarHBondContact O-CG 3.26Å; R111-R115 PolarHBondContact O-N 3.01Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 2.76Å; R115-S118 WeakPolarHBondContact CA-OG 3.44Å; R115-S118 PolarHBondContact O-OG 2.89Å; R115-S118 VanDerWaalsContact O-OG 3.09Å; R115-R119 PolarHBondContact O-N 2.85Å; R115-Y126 HydrophobicContact CB-CD1 4.15Å; R115-Y126 HydrophobicContact CB-CD2 4.44Å; R115-Y126 HydrophobicContact CB-CE1 3.73Å; R115-Y126 HydrophobicContact CB-CE2 4.05Å; R115-Y126 HydrophobicContact CG-CE1 4.49Å; R115-Y126 VanDerWaalsContact O-CE2 3.31Å; R115-Y126 WeakPolarHBondContact O-CE2 3.29Å
116A94.5Very high95Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-68.6-34.6178.800000112.8F70 L73 V112 L113 P120 L123 Y126F70-A116 HydrophobicContact CE2-CB 4.14Å; L73-A116 HydrophobicContact CD2-CB 3.45Å; L73-A116 VanDerWaalsContact CD2-CB 3.45Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.44Å; L113-A116 PolarHBondContact O-N 3.32Å; A116-P120 WeakPolarHBondContact O-CA 3.49Å; A116-L123 HydrophobicContact CB-CD1 3.91Å; A116-Y126 HydrophobicContact CB-CD2 3.78Å; A116-Y126 HydrophobicContact CB-CE2 4.44Å
117R94.1Very high95Very high123 Ų12358.7 Ų58.746%0.46430%0.304SS..Hα-helixtrans-70.1-43.5173.8-71.2-178.3-172.7121.80.2112.7E69 L73 L113E69-R117 IonicContact OE1-CZ 3.34Å; E69-R117 IonicContact OE1-NH2 3.54Å; E69-R117 PolarHBondContact OE1-NH2 3.49Å; E69-R117 IonicContact OE2-NH2 2.94Å; E69-R117 PolarHBondContact OE2-NH2 2.83Å; L73-R117 HydrophobicContact CD2-CG 4.33Å; L113-R117 WeakPolarHBondContact O-CG 3.2Å; L113-R117 PolarHBondContact O-N 2.7Å
118S94.4Very high94.9Very high85 Ų8559.4 Ų59.459%0.59431%0.308SS*.Hα-helixtrans-73.1-34.1-179.953.30000113S114 R115S114-S118 PolarHBondContact O-N 3.47Å; S114-S118 VanDerWaalsContact O-N 3.12Å; S114-S118 PolarHBondContact O-OG 2.94Å; R115-S118 WeakPolarHBondContact CA-OG 3.44Å; R115-S118 PolarHBondContact O-OG 2.89Å; R115-S118 VanDerWaalsContact O-OG 3.09Å
119R94Very high94.9Very high138 Ų13860.6 Ų60.652%0.52131%0.313SS..  trans-131.370.3-175.3-60.2-174.774.1160.99.5111.6R115 A121 K122 Y126R115-R119 PolarHBondContact O-N 2.85Å; R119-A121 PolarHBondContact O-N 3.48Å; R119-A121 VanDerWaalsContact O-N 3.12Å; R119-K122 PolarHBondContact O-N 3.09Å; R119-Y126 HydrophobicContact CB-CE2 4.43Å
120P92.7Very high94.8Very high61 Ų6160.6 Ų60.640%0.39631%0.313SS..G310 helixtrans-55.9-33.1-178.720.1-32.5000113.5A116 K122 L123A116-P120 WeakPolarHBondContact O-CA 3.49Å; P120-K122 PolarHBondContact O-N 3.3Å; P120-L123 VanDerWaalsContact O-CB 3.24Å; P120-L123 WeakPolarHBondContact O-CB 3.5Å; P120-L123 PolarHBondContact O-N 2.99Å
121A92.1Very high94.7Very high104 Ų10459 Ų5986%0.8630%0.302SS*.G310 helixtrans-60.4-18.6177.500000114.6R119R119-A121 PolarHBondContact O-N 3.48Å; R119-A121 VanDerWaalsContact O-N 3.12Å
122K93.8Very high94.6Very high93 Ų9359.1 Ų59.140%0.40431%0.311SS..G310 helixtrans-104.414.5177.5-69.3-167.3174.6-172.40113.1R119 P120 Y124 V125 Y126R119-K122 PolarHBondContact O-N 3.09Å; P120-K122 PolarHBondContact O-N 3.3Å; K122-Y124 VanDerWaalsContact C-N 3.3Å; K122-Y124 PolarHBondContact O-N 2.88Å; K122-V125 HydrophobicContact CB-CG2 4.36Å; K122-V125 WeakPolarHBondContact O-CA 3.42Å; K122-V125 VanDerWaalsContact O-CB 3.26Å; K122-V125 WeakPolarHBondContact O-CB 3.36Å; K122-V125 PolarHBondContact O-N 3.32Å; K122-Y126 HydrophobicContact CB-CE1 4.47Å; K122-Y126 HydrophobicContact CB-CE2 3.72Å; K122-Y126 WeakPolarHBondContact O-CD2 3.39Å; K122-Y126 PolarHBondContact O-N 3.45Å
123L94Very high94.6Very high4 Ų460.3 Ų60.32%0.02132%0.318CS..Hα-helixtrans-51.4-44.2-176.1-179.963.9000113.7Q77 T78 A116 P120 V125 Y126 I127Q77-L123 HydrophobicContact CB-CD2 3.31Å; Q77-L123 HydrophobicContact CG-CD2 4.23Å; T78-L123 HydrophobicContact CG2-CD2 3.82Å; A116-L123 HydrophobicContact CB-CD1 3.91Å; P120-L123 VanDerWaalsContact O-CB 3.24Å; P120-L123 WeakPolarHBondContact O-CB 3.5Å; P120-L123 PolarHBondContact O-N 2.99Å; L123-V125 PolarHBondContact O-N 3.42Å; L123-Y126 PolarHBondContact O-N 3.25Å; L123-I127 HydrophobicContact CD1-CD1 4.31Å; L123-I127 HydrophobicContact CD1-CG1 4.39Å; L123-I127 HydrophobicContact CD2-CD1 4.34Å; L123-I127 HydrophobicContact CG-CD1 3.77Å; L123-I127 HydrophobicContact CG-CG1 4.33Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.18Å
124Y94.7Very high94.5Very high98 Ų9860.2 Ų60.238%0.38432%0.318SS..Hα-helixtrans-62.7-27.5178-70.2-78.3000113.9T78 D80 V84 K122 I127 N128T78-Y124 HydrophobicContact CG2-CE1 3.98Å; D80-Y124 PolarHBondContact OD1-OH 3.1Å; D80-Y124 PolarHBondContact OD2-OH 3.17Å; V84-Y124 HydrophobicContact CG2-CE1 4.28Å; K122-Y124 VanDerWaalsContact C-N 3.3Å; K122-Y124 PolarHBondContact O-N 2.88Å; Y124-I127 HydrophobicContact CD1-CD1 4.18Å; Y124-N128 VanDerWaalsContact O-CB 3.32Å; Y124-N128 WeakPolarHBondContact O-CB 3.12Å; Y124-N128 PolarHBondContact O-N 3.13Å
125V95.4Very high94.4Very high87 Ų8763.2 Ų63.253%0.52732%0.322SS..Hα-helixtrans-68-44.4173.4-176.40000109.7K122 L123 N128 E129K122-V125 HydrophobicContact CB-CG2 4.36Å; K122-V125 WeakPolarHBondContact O-CA 3.42Å; K122-V125 VanDerWaalsContact O-CB 3.26Å; K122-V125 WeakPolarHBondContact O-CB 3.36Å; K122-V125 PolarHBondContact O-N 3.32Å; L123-V125 PolarHBondContact O-N 3.42Å; V125-N128 PolarHBondContact O-N 2.85Å; V125-E129 WeakPolarHBondContact O-CB 3.34Å; V125-E129 PolarHBondContact O-N 2.97Å
126Y95.7Very high94.2Very high15 Ų1561.6 Ų61.66%0.05933%0.333CS..Hα-helixtrans-69.6-37179.1-49.8-44.4000112.1R115 A116 R119 K122 L123 N128 E129 L130R115-Y126 HydrophobicContact CB-CD1 4.15Å; R115-Y126 HydrophobicContact CB-CD2 4.44Å; R115-Y126 HydrophobicContact CB-CE1 3.73Å; R115-Y126 HydrophobicContact CB-CE2 4.05Å; R115-Y126 HydrophobicContact CG-CE1 4.49Å; R115-Y126 VanDerWaalsContact O-CE2 3.31Å; R115-Y126 WeakPolarHBondContact O-CE2 3.29Å; A116-Y126 HydrophobicContact CB-CD2 3.78Å; A116-Y126 HydrophobicContact CB-CE2 4.44Å; R119-Y126 HydrophobicContact CB-CE2 4.43Å; K122-Y126 HydrophobicContact CB-CE1 4.47Å; K122-Y126 HydrophobicContact CB-CE2 3.72Å; K122-Y126 WeakPolarHBondContact O-CD2 3.39Å; K122-Y126 PolarHBondContact O-N 3.45Å; L123-Y126 PolarHBondContact O-N 3.25Å; Y126-N128 VanDerWaalsContact C-N 3.33Å; Y126-E129 PolarHBondContact O-N 2.92Å; Y126-L130 PolarHBondContact O-N 2.99Å
127I95.3Very high94Very high11 Ų1164.6 Ų64.66%0.05635%0.346CS..Hα-helixtrans-59.2-45.9170.1-69.6161.8000110.4F70 T78 V84 L88 L123 Y124 L130 C131F70-I127 HydrophobicContact CE1-CG1 4.21Å; F70-I127 HydrophobicContact CZ-CG1 4.02Å; T78-I127 HydrophobicContact CG2-CD1 3.88Å; V84-I127 HydrophobicContact CG1-CD1 3.82Å; V84-I127 HydrophobicContact CG1-CG1 4.47Å; V84-I127 HydrophobicContact CG1-CG2 4.01Å; L88-I127 HydrophobicContact CD1-CG1 4.34Å; L88-I127 HydrophobicContact CD1-CG2 4.06Å; L88-I127 HydrophobicContact CD2-CG2 4.39Å; L88-I127 HydrophobicContact CG-CG2 4.29Å; L123-I127 HydrophobicContact CD1-CD1 4.31Å; L123-I127 HydrophobicContact CD1-CG1 4.39Å; L123-I127 HydrophobicContact CD2-CD1 4.34Å; L123-I127 HydrophobicContact CG-CD1 3.77Å; L123-I127 HydrophobicContact CG-CG1 4.33Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.18Å; Y124-I127 HydrophobicContact CD1-CD1 4.18Å; I127-L130 PolarHBondContact O-N 3.34Å; I127-C131 WeakPolarHBondContact O-CB 3.24Å; I127-C131 PolarHBondContact O-N 2.96Å; I127-C131 PolarHBondContact O-SG 2.93Å
128N94.2Very high93.7Very high105 Ų10560 Ų6056%0.56133%0.333SS*.Hα-helixtrans-68.5-37.3180-172.356.4000112.5Y124 V125 Y126 C131 T132Y124-N128 VanDerWaalsContact O-CB 3.32Å; Y124-N128 WeakPolarHBondContact O-CB 3.12Å; Y124-N128 PolarHBondContact O-N 3.13Å; V125-N128 PolarHBondContact O-N 2.85Å; Y126-N128 VanDerWaalsContact C-N 3.33Å; N128-C131 PolarHBondContact O-N 3.45Å; N128-T132 WeakPolarHBondContact O-CB 3.5Å; N128-T132 PolarHBondContact O-N 3.37Å; N128-T132 PolarHBondContact O-OG1 3.31Å
129E95.4Very high92.5Very high42 Ų4258.4 Ų58.420%0.19633%0.325CS..Hα-helixtrans-56.7-53.5171.5-175.2-179.7166.700110.1R111 V112 V125 Y126 C131 T132 V133R111-E129 IonicContact CZ-OE1 3.96Å; R111-E129 IonicContact NE-OE1 2.99Å; R111-E129 PolarHBondContact NE-OE1 3.21Å; R111-E129 IonicContact NH2-OE1 3.56Å; R111-E129 PolarHBondContact NH2-OE1 3.38Å; V112-E129 HydrophobicContact CG1-CG 4.45Å; V125-E129 WeakPolarHBondContact O-CB 3.34Å; V125-E129 PolarHBondContact O-N 2.97Å; Y126-E129 PolarHBondContact O-N 2.92Å; E129-C131 VanDerWaalsContact C-N 3.35Å; E129-C131 PolarHBondContact O-N 3.33Å; E129-T132 WeakPolarHBondContact O-CB 3.43Å; E129-T132 PolarHBondContact O-N 3.23Å; E129-T132 VanDerWaalsContact O-N 3.11Å; E129-V133 WeakPolarHBondContact O-CG2 3.34Å; E129-V133 PolarHBondContact O-N 3.08Å
130L95.6Very high90.8Very high0 Ų061.6 Ų61.60%034%0.343CS..Hα-helixtrans-63-39.4179.2-168.962.4000112.3F67 F70 L88 F105 I108 L109 Y126 I127 T132 V133 L134F67-L130 HydrophobicContact CD2-CD2 4.21Å; F67-L130 HydrophobicContact CE2-CD2 4.01Å; F70-L130 HydrophobicContact CD1-CD2 3.62Å; F70-L130 HydrophobicContact CE1-CD2 3.58Å; F70-L130 HydrophobicContact CG-CD2 4.4Å; F70-L130 HydrophobicContact CZ-CD2 4.33Å; L88-L130 HydrophobicContact CD2-CD2 4.24Å; L88-L130 HydrophobicContact CD2-CG 4.5Å; F105-L130 HydrophobicContact CE2-CD1 3.97Å; I108-L130 HydrophobicContact CG2-CD1 4.14Å; L109-L130 HydrophobicContact CD2-CD1 3.89Å; L109-L130 HydrophobicContact CD2-CD2 4.09Å; Y126-L130 PolarHBondContact O-N 2.99Å; I127-L130 PolarHBondContact O-N 3.34Å; L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.49Å; L130-V133 PolarHBondContact O-N 3.38Å; L130-L134 HydrophobicContact CG-CD1 4.21Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å
131C94Very high88.8Confident12 Ų1267.3 Ų67.38%0.08136%0.362CS..Hα-helixtrans-61.7-38.8174.5-74.50000112.6L88 I127 N128 E129 K135L88-C131 WeakPolarHBondContact CD2-SG 3.46Å; I127-C131 WeakPolarHBondContact O-CB 3.24Å; I127-C131 PolarHBondContact O-N 2.96Å; I127-C131 PolarHBondContact O-SG 2.93Å; N128-C131 PolarHBondContact O-N 3.45Å; E129-C131 VanDerWaalsContact C-N 3.35Å; E129-C131 PolarHBondContact O-N 3.33Å; C131-K135 WeakPolarHBondContact O-CB 3.47Å; C131-K135 PolarHBondContact O-N 2.83Å
132T93.4Very high86.3Confident80 Ų8071.4 Ų71.449%0.49136%0.36SS..Hα-helixtrans-67.6-44.9-180-59.40000110.4N128 E129 L130 K135 A136N128-T132 WeakPolarHBondContact O-CB 3.5Å; N128-T132 PolarHBondContact O-N 3.37Å; N128-T132 PolarHBondContact O-OG1 3.31Å; E129-T132 WeakPolarHBondContact O-CB 3.43Å; E129-T132 PolarHBondContact O-N 3.23Å; E129-T132 VanDerWaalsContact O-N 3.11Å; L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.49Å; T132-K135 WeakPolarHBondContact O-CB 3.43Å; T132-K135 PolarHBondContact O-N 3.32Å; T132-A136 PolarHBondContact O-N 2.91Å
133V94.8Very high83.9Confident25 Ų2573.9 Ų73.915%0.15238%0.377CS..Hα-helixtrans-59.2-54.6174171.40000110.7F99 I108 E129 L130 K135 A136 H137F99-V133 HydrophobicContact CE1-CG1 4.03Å; F99-V133 HydrophobicContact CE2-CG1 4.25Å; F99-V133 HydrophobicContact CZ-CG1 3.37Å; I108-V133 HydrophobicContact CD1-CG1 3.7Å; I108-V133 HydrophobicContact CD1-CG2 4.18Å; I108-V133 HydrophobicContact CG2-CG1 4.43Å; I108-V133 HydrophobicContact CG2-CG2 4.3Å; E129-V133 WeakPolarHBondContact O-CG2 3.34Å; E129-V133 PolarHBondContact O-N 3.08Å; L130-V133 PolarHBondContact O-N 3.38Å; V133-K135 PolarHBondContact O-N 3.09Å; V133-K135 VanDerWaalsContact O-N 3.14Å; V133-A136 WeakPolarHBondContact O-CB 3.42Å; V133-A136 PolarHBondContact O-N 3.42Å; V133-H137 PolarHBondContact O-CD2 3.41Å; V133-H137 VanDerWaalsContact O-CD2 3.24Å; V133-H137 PolarHBondContact O-N 3.05Å; V133-H137 VanDerWaalsContact O-N 3.11Å
134L94.8Very high80.9Confident0 Ų081 Ų810%042%0.415CS..Hα-helixtrans-60.5-30.4179.5-69.2172.5000112.7F67 R91 Q92 A95 F99 L100 F105 L130 S138F67-L134 HydrophobicContact CE2-CD1 4.41Å; R91-L134 HydrophobicContact CB-CB 4.26Å; R91-L134 HydrophobicContact CB-CD1 4.02Å; R91-L134 HydrophobicContact CG-CB 3.58Å; R91-L134 HydrophobicContact CG-CD1 4.21Å; Q92-L134 HydrophobicContact CB-CD1 4.18Å; Q92-L134 HydrophobicContact CB-CD2 4.47Å; A95-L134 HydrophobicContact CB-CD2 3.88Å; F99-L134 HydrophobicContact CE1-CD2 4.15Å; L100-L134 HydrophobicContact CD2-CD2 4.19Å; F105-L134 HydrophobicContact CE2-CD2 3.76Å; F105-L134 HydrophobicContact CE2-CG 4.48Å; F105-L134 HydrophobicContact CZ-CD2 3.95Å; L130-L134 HydrophobicContact CG-CD1 4.21Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å; L134-S138 PolarHBondContact O-N 3.48Å
135K92.9Very high78.2Confident134 Ų13483.7 Ų83.758%0.58344%0.435SS*.Hα-helixtrans-69.5-42.6173.5176.4162.4-168.7-175.50111.9R91 C131 T132 V133 H137 S138R91-K135 VanDerWaalsContact NH2-CB 3.27Å; C131-K135 WeakPolarHBondContact O-CB 3.47Å; C131-K135 PolarHBondContact O-N 2.83Å; T132-K135 WeakPolarHBondContact O-CB 3.43Å; T132-K135 PolarHBondContact O-N 3.32Å; V133-K135 PolarHBondContact O-N 3.09Å; V133-K135 VanDerWaalsContact O-N 3.14Å; K135-H137 VanDerWaalsContact C-N 3.28Å; K135-H137 PolarHBondContact O-N 3.16Å; K135-S138 PolarHBondContact O-N 2.95Å; K135-S138 PolarHBondContact O-OG 3.34Å
136A91.9Very high75.2Confident77 Ų7783.7 Ų83.764%0.63645%0.445SS*.Hα-helixtrans-60.8-39177.900000111.5T132 V133T132-A136 PolarHBondContact O-N 2.91Å; V133-A136 WeakPolarHBondContact O-CB 3.42Å; V133-A136 PolarHBondContact O-N 3.42Å
137H91.3Very high72.1Confident62 Ų6289.1 Ų89.129%0.28748%0.481SS..THydrogen-bonded Turntrans-96.221.1179.3-58.6-81.8000114.1A95 H96 F99 E104 V133 K135A95-H137 CarbonylContact C-O 3.58Å; A95-H137 WeakPolarHBondContact CA-O 3.45Å; H96-H137 WeakPolarHBondContact CB-O 3.23Å; H96-H137 PolarHBondContact N-O 3.49Å; F99-H137 HydrophobicContact CB-CB 3.91Å; F99-H137 HydrophobicContact CD1-CB 3.56Å; F99-H137 AromaticContact CD1-CG 3.88Å; F99-H137 HydrophobicContact CD2-CB 3.96Å; F99-H137 AromaticContact CD2-CD2 3.57Å; F99-H137 AromaticContact CD2-CE1 3.72Å; F99-H137 AromaticContact CD2-CG 3.4Å; F99-H137 AromaticContact CD2-ND1 3.5Å; F99-H137 AromaticContact CD2-NE2 3.82Å; F99-H137 HydrophobicContact CE1-CB 4.08Å; F99-H137 AromaticContact CE1-CD2 3.95Å; F99-H137 HydrophobicContact CE2-CB 4.43Å; F99-H137 AromaticContact CE2-CD2 3.32Å; F99-H137 WeakPolarHBondContact CE2-CD2 3.42Å; F99-H137 AromaticContact CE2-CE1 3.86Å; F99-H137 AromaticContact CE2-CG 3.68Å; F99-H137 AromaticContact CE2-ND1 4Å; F99-H137 AromaticContact CE2-NE2 3.5Å; F99-H137 HydrophobicContact CG-CB 3.5Å; F99-H137 VanDerWaalsContact CG-CB 3.5Å; F99-H137 AromaticContact CG-CD2 3.99Å; F99-H137 AromaticContact CG-CG 3.51Å; F99-H137 AromaticContact CG-ND1 3.9Å; F99-H137 HydrophobicContact CZ-CB 4.5Å; F99-H137 AromaticContact CZ-CD2 3.54Å; E104-H137 IonicContact OE1-CE1 2.67Å; E104-H137 IonicContact OE1-NE2 2.85Å; V133-H137 PolarHBondContact O-CD2 3.41Å; V133-H137 VanDerWaalsContact O-CD2 3.24Å; V133-H137 PolarHBondContact O-N 3.05Å; V133-H137 VanDerWaalsContact O-N 3.11Å; K135-H137 VanDerWaalsContact C-N 3.28Å; K135-H137 PolarHBondContact O-N 3.16Å
138S86.8Confident69.2Low27 Ų2793.5 Ų93.519%0.18952%0.52CS..BIsolated β-bridgetrans-81.4138.4178.265.60000112.6R94 L134 K135 K140R94-S138 WeakPolarHBondContact O-CA 3.29Å; R94-S138 WeakPolarHBondContact O-CB 3.33Å; L134-S138 PolarHBondContact O-N 3.48Å; K135-S138 PolarHBondContact O-N 2.95Å; K135-S138 PolarHBondContact O-OG 3.34Å; S138-K140 PolarHBondContact O-N 3.47Å; S138-K140 VanDerWaalsContact O-N 3.1Å
139A69.9Low66.4Low52 Ų5293 Ų9343%0.4353%0.53SS..  trans-65.4114.9168.600000107.9R94 K141R94-A139 PolarHBondContact O-N 3.39Å; R94-A139 VanDerWaalsContact O-N 3.1Å; A139-K141 PolarHBondContact O-N 2.74Å
140K58.8Low63.2Low205 Ų20597.8 Ų97.889%0.89156%0.562SS**  trans-6870.7173.1-73.4-178.5178.5170.60109.8S138 K142S138-K140 PolarHBondContact O-N 3.47Å; S138-K140 VanDerWaalsContact O-N 3.1Å; K140-K142 PolarHBondContact O-N 3.09Å
141K49.9Very low60.3Low181 Ų181104.1 Ų104.179%0.78760%0.601SS**  trans-73.996169.4-161170.4-177.6173.80107.3A139 L143A139-K141 PolarHBondContact O-N 2.74Å; K141-L143 PolarHBondContact O-N 2.98Å; K141-L143 VanDerWaalsContact O-N 3.07Å
142K39Very low57.5Low189 Ų189107.7 Ų107.782%0.82263%0.626SS**  trans-52.9111.1165.2-127.9174.8-179.9-178.50106.4K140 N144K140-K142 PolarHBondContact O-N 3.09Å; K142-N144 PolarHBondContact O-N 3.03Å; K142-N144 VanDerWaalsContact O-N 3.08Å
143L43.6Very low54.8Low146 Ų146111 Ų11176%0.76464%0.641SS**  trans-65.7106.7168-84160.1000106.5K141 L145K141-L143 PolarHBondContact O-N 2.98Å; K141-L143 VanDerWaalsContact O-N 3.07Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 HydrophobicContact CB-CD1 4.05Å; L143-L145 PolarHBondContact O-N 3.37Å
144N30.4Very low52.2Low152 Ų152118.3 Ų118.381%0.81367%0.673SS**  trans-69.394.1163.3-74.2-26.9000106.9K142 A146K142-N144 PolarHBondContact O-N 3.03Å; K142-N144 VanDerWaalsContact O-N 3.08Å; N144-A146 PolarHBondContact O-N 3.16Å
145L39Very low49.8Very low155 Ų155123 Ų12381%0.81270%0.704SS**  trans-71.4121.1160.8-80.991.6000107.2L143L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 HydrophobicContact CB-CD1 4.05Å; L143-L145 PolarHBondContact O-N 3.37Å
146A32.7Very low47.2Very low88 Ų88122.9 Ų122.973%0.72772%0.72SS**  trans-57.2145.1177.300000111.4N144 A148N144-A146 PolarHBondContact O-N 3.16Å; A146-A148 PolarHBondContact O-N 3.2Å
147P31.5Very low44.7Very low128 Ų128122.3 Ų122.383%0.83172%0.721SS**  trans-75.2112.9175.431-28.8000108.2A149P147-A149 PolarHBondContact O-N 3.23Å
148A32.5Very low42.2Very low104 Ų104126.4 Ų126.486%0.8675%0.745SS**PPolyproline II helixtrans-71126.8173.300000109.6A146A146-A148 PolarHBondContact O-N 3.2Å
149A35.4Very low40.3Very low95 Ų95132.2 Ų132.279%0.78577%0.774SS**PPolyproline II helixtrans-64.4143.4-174.600000113.9P147P147-A149 PolarHBondContact O-N 3.23Å
150T28.6Very low39.1Very low142 Ų142135.4 Ų135.487%0.87179%0.79SS**PPolyproline II helixtrans-56.3119.9169.1-45.70000113.5
151T35Very low38.5Very low132 Ų132131.1 Ų131.181%0.8178%0.784SS**  trans-165.9134.4151.952.20000105.7
152S35.8Very low38.1Very low87 Ų87129.1 Ų129.161%0.60879%0.787SS**  cis176.9144.25.9450000105.9
153N36.4Very low38Very low149 Ų149127.3 Ų127.380%0.79778%0.781SS**  trans72.7137.3155.2-49.3-12000117.1
154E40.5Very low38.2Very low179 Ų179128.2 Ų128.284%0.83679%0.786SS**  cis-171.21742-119-145.8101.500107.6
155P43.1Very low38.6Very low99 Ų99125.2 Ų125.264%0.64378%0.776SS**  trans-115.4165.8-14543-35.6000115.9
156S39.5Very low38.5Very low132 Ų132125.3 Ų125.392%0.92378%0.777SS**  trans162.7136147.4-86.60000109.2
157G39.2Very low38.8Very low64 Ų64128.1 Ų128.166%0.6678%0.78SS**  cis178.6154.92.800000110.5
158N38.2Very low39.3Very low148 Ų148126.7 Ų126.779%0.79177%0.771SS**  trans59.4101.1141.8-63.1-5.1000120.6
159N47.9Very low39.4Very low150 Ų150127.8 Ų127.880%0.80277%0.767SS**  163.9138.291.6-81.3-44.2000112.9
160P45Very low39.6Very low118 Ų118131.2 Ų131.277%0.76677%0.772SS**  trans-113.3-161.4174.441.2-26.9000112.2
161P46Very low39.8Very low116 Ų116129.2 Ų129.275%0.75377%0.77SS**  -127164.6-81.338.5-21.6000113.9
162T41Very low39.7Very low138 Ų138131.7 Ų131.785%0.84777%0.772SS**  trans-145.997.7169.4-510000108.7
163H37.2Very low39.9Very low152 Ų152135.1 Ų135.170%0.70478%0.784SS**  73.899.185.6-164.9-72.8000114.9
164L46.6Very low39.8Very low165 Ų165135 Ų13586%0.86479%0.788SS**  trans-169.590.9146.4-72.5-170.3000106.7
165S38.8Very low39.7Very low88 Ų88130.4 Ų130.462%0.61578%0.781SS**  54.988.881-151.80000112.7
166L38.3Very low39.4Very low157 Ų157131.1 Ų131.182%0.82279%0.788SS**  81.6109.395.1-80.8164000113.8
167D38.1Very low39.4Very low147 Ų147134 Ų13479%0.78679%0.787SS**  trans-141.9124.7140.5-160.510.7000108.9
168P41.5Very low39.7Very low99 Ų99135.4 Ų135.464%0.64379%0.787SS**  trans-111.8111-176.134.9-20.6000111.2
169T34.6Very low40.2Very low127 Ų127133.9 Ų133.978%0.77979%0.785SS**  trans-152.9140162.639.70000110.7
170N39.9Very low40.4Very low167 Ų167136.6 Ų136.689%0.89378%0.784SS**  trans80.871.9179.4-64.4-14.6000117.6
171A32.7Very low41.1Very low99 Ų99137.4 Ų137.482%0.81879%0.787SS**  trans-128.26715700000109.7
172E34.6Very low42.6Very low184 Ų184142 Ų14286%0.8679%0.789SS**  trans-144.287.5167.9-90.9-177.8139.700108.5
173N38.3Very low44.4Very low160 Ų160136.1 Ų136.186%0.85676%0.757SS**  trans175.857.3146.7-93.1-4000109.6
174T35.8Very low47Very low145 Ų145132 Ų13289%0.8975%0.745SS**  trans-106.566.4157.834.40000107.5S176T174-S176 PolarHBondContact O-N 3.25Å
175A37.4Very low49.3Very low83 Ų83134.5 Ų134.569%0.68674%0.743SS**  trans-69.4107.9166.300000108.1Q177A175-Q177 PolarHBondContact O-N 2.97Å
176S36.3Very low51.9Low114 Ų114139.6 Ų139.680%0.79775%0.749SS**  trans-15.796.6159.452.70000115.5T174 S178T174-S176 PolarHBondContact O-N 3.25Å; S176-S178 PolarHBondContact O-N 2.84Å
177Q40.9Very low54.6Low193 Ų193134.4 Ų134.490%0.90272%0.72SS**  trans-78.7100.2151.9-70-170.8-4.700106.7A175A175-Q177 PolarHBondContact O-N 2.97Å
178S45.3Very low57.4Low93 Ų93128.4 Ų128.465%0.6569%0.688SS**  trans-56.4138.4161.557.60000107.7S176 R180S176-S178 PolarHBondContact O-N 2.84Å; S178-R180 PolarHBondContact O-N 3.39Å
179P48.5Very low60Low116 Ų116128.7 Ų128.775%0.75368%0.681SS**  trans-60.1118.2174.425.2-31.1000106.7T181P179-T181 PolarHBondContact O-N 2.94Å
180R52.4Low63Low207 Ų207130.2 Ų130.278%0.78167%0.672SS**  trans-43.2112.9173.6-79-173.6162.3-177.7-5.5107.7S178 R182S178-R180 PolarHBondContact O-N 3.39Å; R180-R182 PolarHBondContact O-N 3.01Å
181T59.8Low65.7Low136 Ų136123.6 Ų123.683%0.83464%0.637SS**  trans-63.2112.7-168.4-30.30000106.9P179 G183P179-T181 PolarHBondContact O-N 2.94Å; T181-G183 PolarHBondContact O-N 2.69Å
182R77Confident68.8Low211 Ų211123 Ų12380%0.79662%0.617SS**  trans-45.9133.5174.3-75.5-179.2-178.7169.81.2109R180R180-R182 PolarHBondContact O-N 3.01Å
183G78.9Confident71.8Confident16 Ų16119.5 Ų119.517%0.16560%0.601CS.*  trans-52.5153.3-178.500000112.6T181 R185 I188 L242T181-G183 PolarHBondContact O-N 2.69Å; G183-R185 PolarHBondContact O-N 2.84Å; G183-I188 WeakPolarHBondContact O-CD1 3.48Å; G183-L242 WeakPolarHBondContact CA-O 3.46Å; G183-L242 PolarHBondContact N-O 3.13Å
184S91.5Very high74.6Confident66 Ų66114.6 Ų114.646%0.46257%0.574SS.*  trans-54.5126.8-178.7173.80000110.8R186 Q187 I188S184-R186 PolarHBondContact O-N 3.19Å; S184-R186 VanDerWaalsContact O-N 3.16Å; S184-Q187 WeakPolarHBondContact O-CB 3.49Å; S184-Q187 PolarHBondContact O-N 3.17Å; S184-I188 PolarHBondContact O-N 3.08Å
185R94.3Very high77.6Confident217 Ų217109.4 Ų109.482%0.81954%0.541SS*.Hα-helixtrans-56-35.2179.7-176177.1174.5177.4-2112.2G183 Q189G183-R185 PolarHBondContact O-N 2.84Å; R185-Q189 WeakPolarHBondContact O-CB 3.4Å; R185-Q189 PolarHBondContact O-N 3.32Å
186R94.7Very high80.4Confident194 Ų194108.3 Ų108.373%0.73253%0.532SS*.Hα-helixtrans-67.4-42.9176.3-67.7-177.6-178.71730.7111.2S184 Q189 R190S184-R186 PolarHBondContact O-N 3.19Å; S184-R186 VanDerWaalsContact O-N 3.16Å; R186-Q189 PolarHBondContact O-N 3.47Å; R186-R190 WeakPolarHBondContact O-CG 3.2Å; R186-R190 PolarHBondContact O-N 3.31Å
187Q94.7Very high83.4Confident48 Ų48108.4 Ų108.422%0.22452%0.523CS..Hα-helixtrans-63.3-48.6176.9-175.9-177.323.500111.1S184 Q189 R190 L191 L242S184-Q187 WeakPolarHBondContact O-CB 3.49Å; S184-Q187 PolarHBondContact O-N 3.17Å; Q187-Q189 VanDerWaalsContact C-N 3.28Å; Q187-Q189 PolarHBondContact O-N 2.96Å; Q187-R190 PolarHBondContact O-N 2.87Å; Q187-R190 VanDerWaalsContact O-N 3.15Å; Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 HydrophobicContact CG-CG 4.48Å; Q187-L191 WeakPolarHBondContact O-CG 3.43Å; Q187-L191 PolarHBondContact O-N 3.48Å; Q187-L242 HydrophobicContact CG-CD1 4.25Å
188I95.9Very high86.1Confident22 Ų22101.8 Ų101.811%0.11349%0.49CS..Hα-helixtrans-56-45.4176.7-67.9170.6000110.5G183 S184 R190 L191 E192 L239 L242 K243G183-I188 WeakPolarHBondContact O-CD1 3.48Å; S184-I188 PolarHBondContact O-N 3.08Å; I188-R190 PolarHBondContact O-N 3.13Å; I188-L191 PolarHBondContact O-N 3.01Å; I188-E192 HydrophobicContact CG2-CG 4.33Å; I188-E192 WeakPolarHBondContact O-CB 3.3Å; I188-E192 WeakPolarHBondContact O-CG 3.42Å; I188-E192 PolarHBondContact O-N 3.27Å; I188-L239 HydrophobicContact CG2-CD2 4.27Å; I188-L242 HydrophobicContact CG1-CB 4.34Å; I188-K243 HydrophobicContact CD1-CG 4.01Å
189Q96.8Very high88.7Confident104 Ų104100 Ų10049%0.48648%0.475SS..Hα-helixtrans-62-42.5178.3-175.8177.65.100112.7R185 R186 Q187 E192 Q193R185-Q189 WeakPolarHBondContact O-CB 3.4Å; R185-Q189 PolarHBondContact O-N 3.32Å; R186-Q189 PolarHBondContact O-N 3.47Å; Q187-Q189 VanDerWaalsContact C-N 3.28Å; Q187-Q189 PolarHBondContact O-N 2.96Å; Q189-E192 PolarHBondContact O-N 3.11Å; Q189-Q193 VanDerWaalsContact O-CG 3.32Å; Q189-Q193 WeakPolarHBondContact O-CG 3.42Å; Q189-Q193 PolarHBondContact O-N 3.16Å
190R96.8Very high91Very high159 Ų15997.2 Ų97.260%0.646%0.462SS*.Hα-helixtrans-62.2-45.3176.4-73.1-171.9-63.8-129.67.1111.7R186 Q187 I188 Q193 L194R186-R190 WeakPolarHBondContact O-CG 3.2Å; R186-R190 PolarHBondContact O-N 3.31Å; Q187-R190 PolarHBondContact O-N 2.87Å; Q187-R190 VanDerWaalsContact O-N 3.15Å; I188-R190 PolarHBondContact O-N 3.13Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.99Å; R190-L194 PolarHBondContact O-N 3.33Å
191L96.9Very high93.2Very high29 Ų2990.6 Ų90.615%0.15244%0.44CS..Hα-helixtrans-68.2-36.3179.4-63.4175.3000111.8Q187 I188 Q193 L194 L195 L235 L239 L242Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 HydrophobicContact CG-CG 4.48Å; Q187-L191 WeakPolarHBondContact O-CG 3.43Å; Q187-L191 PolarHBondContact O-N 3.48Å; I188-L191 PolarHBondContact O-N 3.01Å; L191-Q193 VanDerWaalsContact C-N 3.35Å; L191-L194 PolarHBondContact O-N 3.35Å; L191-L195 WeakPolarHBondContact O-CB 3.3Å; L191-L195 PolarHBondContact O-N 3.47Å; L191-L235 HydrophobicContact CB-CD1 4.08Å; L191-L235 HydrophobicContact CD2-CD1 3.57Å; L191-L235 HydrophobicContact CG-CD1 4.24Å; L191-L239 HydrophobicContact CB-CD1 4.24Å; L191-L239 HydrophobicContact CB-CD2 3.63Å; L191-L239 HydrophobicContact CB-CG 3.93Å; L191-L239 HydrophobicContact CD1-CD2 4.16Å; L191-L239 HydrophobicContact CD1-CG 4.44Å; L191-L242 HydrophobicContact CD1-CD1 3.35Å
192E97.4Very high95.1Very high85 Ų8584.7 Ų84.740%0.39740%0.403SS..Hα-helixtrans-65.2-36.7173-76.2179.5171.900112.5I188 Q189 A196 L239 K243I188-E192 HydrophobicContact CG2-CG 4.33Å; I188-E192 WeakPolarHBondContact O-CB 3.3Å; I188-E192 WeakPolarHBondContact O-CG 3.42Å; I188-E192 PolarHBondContact O-N 3.27Å; Q189-E192 PolarHBondContact O-N 3.11Å; E192-A196 PolarHBondContact O-N 2.76Å; E192-L239 HydrophobicContact CG-CD1 4.36Å; E192-L239 HydrophobicContact CG-CD2 4.26Å; E192-K243 IonicContact OE1-NZ 2.62Å; E192-K243 PolarHBondContact OE1-NZ 3.49Å
193Q97.6Very high96.1Very high112 Ų11278.3 Ų78.352%0.52338%0.379SS..Hα-helixtrans-65.9-45.4172.9-73.9171.3-11.300111.3Q189 R190 L191 L195 A196 L197Q189-Q193 VanDerWaalsContact O-CG 3.32Å; Q189-Q193 WeakPolarHBondContact O-CG 3.42Å; Q189-Q193 PolarHBondContact O-N 3.16Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.99Å; L191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-L195 VanDerWaalsContact C-N 3.31Å; Q193-L195 PolarHBondContact O-N 3.01Å; Q193-A196 WeakPolarHBondContact O-CB 3.48Å; Q193-A196 PolarHBondContact O-N 2.88Å; Q193-A196 VanDerWaalsContact O-N 3.13Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.83Å
194L97.8Very high97Very high56 Ų5682.5 Ų82.529%0.29339%0.39SS..Hα-helixtrans-60.6-41.7175.5-178.360.6000111.7R190 L191 A196 L197 Y198 L235R190-L194 PolarHBondContact O-N 3.33Å; L191-L194 PolarHBondContact O-N 3.35Å; L194-A196 VanDerWaalsContact C-N 3.28Å; L194-A196 PolarHBondContact O-N 3.43Å; L194-L197 WeakPolarHBondContact O-CB 3.45Å; L194-L197 PolarHBondContact O-N 2.88Å; L194-L197 VanDerWaalsContact O-N 3.14Å; L194-Y198 HydrophobicContact CD1-CD1 4.17Å; L194-Y198 HydrophobicContact CD1-CE1 3.62Å; L194-Y198 HydrophobicContact CD1-CE2 4.46Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CG-CE1 4.15Å; L194-Y198 HydrophobicContact CG-CE2 4.09Å; L194-Y198 PolarHBondContact O-N 3.41Å; L194-L235 HydrophobicContact CB-CD2 4.08Å; L194-L235 HydrophobicContact CD2-CD1 4.45Å; L194-L235 HydrophobicContact CD2-CD2 3.89Å; L194-L235 HydrophobicContact CG-CD2 3.8Å
195L97.8Very high97.4Very high36 Ų3679.7 Ų79.719%0.18837%0.369CS..Hα-helixtrans-58.5-41.9174.7-164.277.7000111.1L191 Q193 Y198 V199 L232 L235 F236 L239L191-L195 WeakPolarHBondContact O-CB 3.3Å; L191-L195 PolarHBondContact O-N 3.47Å; Q193-L195 VanDerWaalsContact C-N 3.31Å; Q193-L195 PolarHBondContact O-N 3.01Å; L195-Y198 PolarHBondContact O-N 2.95Å; L195-V199 WeakPolarHBondContact O-CG2 3.37Å; L195-V199 PolarHBondContact O-N 3.27Å; L195-L232 HydrophobicContact CD1-CD2 4.06Å; L195-L232 HydrophobicContact CD1-CG 3.75Å; L195-L235 HydrophobicContact CB-CD2 4.05Å; L195-L235 HydrophobicContact CD1-CB 4.3Å; L195-L235 HydrophobicContact CD1-CD2 3.9Å; L195-L235 HydrophobicContact CD1-CG 4.08Å; L195-F236 HydrophobicContact CD1-CB 4.49Å; L195-L239 HydrophobicContact CB-CD1 4.49Å; L195-L239 HydrophobicContact CD2-CD1 4.07Å
196A98.1Very high97.5Very high61 Ų6171.2 Ų71.250%0.50434%0.339SS..Hα-helixtrans-67.1-36.3176.100000113E192 Q193 L194 V199 A200E192-A196 PolarHBondContact O-N 2.76Å; Q193-A196 WeakPolarHBondContact O-CB 3.48Å; Q193-A196 PolarHBondContact O-N 2.88Å; Q193-A196 VanDerWaalsContact O-N 3.13Å; L194-A196 VanDerWaalsContact C-N 3.28Å; L194-A196 PolarHBondContact O-N 3.43Å; A196-V199 PolarHBondContact O-N 2.9Å; A196-A200 PolarHBondContact O-N 3.39Å
197L98.3Very high97.7Very high115 Ų11567.5 Ų67.560%0.60233%0.33SS*.Hα-helixtrans-64.2-44.9173.6-68.6175.8000111.4Q193 L194 V199 A200 E201Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 2.83Å; L194-L197 WeakPolarHBondContact O-CB 3.45Å; L194-L197 PolarHBondContact O-N 2.88Å; L194-L197 VanDerWaalsContact O-N 3.14Å; L197-V199 VanDerWaalsContact C-N 3.32Å; L197-V199 PolarHBondContact O-N 3.17Å; L197-A200 PolarHBondContact O-N 3.37Å; L197-A200 VanDerWaalsContact O-N 3.17Å; L197-E201 PolarHBondContact O-N 3.23Å
198Y98.3Very high97.9Very high54 Ų5470.6 Ų70.621%0.21234%0.343CS..Hα-helixtrans-59.9-41.9174.3-69.2-11.7000112L194 L195 A200 E201 I202 L228 K231 L232 L235L194-Y198 HydrophobicContact CD1-CD1 4.17Å; L194-Y198 HydrophobicContact CD1-CE1 3.62Å; L194-Y198 HydrophobicContact CD1-CE2 4.46Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CG-CE1 4.15Å; L194-Y198 HydrophobicContact CG-CE2 4.09Å; L194-Y198 PolarHBondContact O-N 3.41Å; L195-Y198 PolarHBondContact O-N 2.95Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.49Å; Y198-E201 PolarHBondContact O-N 2.98Å; Y198-I202 WeakPolarHBondContact O-CB 3.38Å; Y198-I202 WeakPolarHBondContact O-CD1 3.42Å; Y198-I202 WeakPolarHBondContact O-CG1 3.47Å; Y198-I202 PolarHBondContact O-N 3.3Å; Y198-L228 HydrophobicContact CD1-CD1 3.63Å; Y198-L228 HydrophobicContact CD2-CD1 4.47Å; Y198-L228 HydrophobicContact CE1-CD1 3.95Å; Y198-L228 HydrophobicContact CG-CD1 3.91Å; Y198-K231 HydrophobicContact CE2-CB 4.22Å; Y198-L232 HydrophobicContact CD2-CB 4.17Å; Y198-L235 HydrophobicContact CD2-CD2 3.96Å; Y198-L235 HydrophobicContact CE2-CD2 3.82Å
199V98.4Very high97.9Very high56 Ų5678.1 Ų78.134%0.33938%0.378SS..Hα-helixtrans-61.4-42175.1171.60000111.7L195 A196 L197 R203 L232L195-V199 WeakPolarHBondContact O-CG2 3.37Å; L195-V199 PolarHBondContact O-N 3.27Å; A196-V199 PolarHBondContact O-N 2.9Å; L197-V199 VanDerWaalsContact C-N 3.32Å; L197-V199 PolarHBondContact O-N 3.17Å; V199-R203 VanDerWaalsContact O-CG 3.32Å; V199-R203 WeakPolarHBondContact O-CG 3.3Å; V199-R203 PolarHBondContact O-N 2.97Å; V199-R203 VanDerWaalsContact O-N 3.11Å; V199-L232 HydrophobicContact CG2-CD1 3.68Å
200A98.5Very high97.9Very high57 Ų5775.9 Ų75.947%0.47137%0.369SS..Hα-helixtrans-64.3-42.5178.800000111.7A196 L197 Y198 R203 R204A196-A200 PolarHBondContact O-N 3.39Å; L197-A200 PolarHBondContact O-N 3.37Å; L197-A200 VanDerWaalsContact O-N 3.17Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.49Å; A200-R203 WeakPolarHBondContact O-CB 3.44Å; A200-R203 PolarHBondContact O-N 2.95Å; A200-R204 PolarHBondContact O-N 3.33Å; A200-R204 VanDerWaalsContact O-N 3.08Å
201E98.4Very high97.9Very high68 Ų6872.2 Ų72.232%0.31836%0.361SS..Hα-helixtrans-71.3-37.5179.5-179.359.7-16400112.5L197 Y198 R203 R204 L205 L228L197-E201 PolarHBondContact O-N 3.23Å; Y198-E201 PolarHBondContact O-N 2.98Å; E201-R203 VanDerWaalsContact C-N 3.28Å; E201-R203 PolarHBondContact O-N 3.29Å; E201-R204 VanDerWaalsContact CD-NE 3.27Å; E201-R204 WeakPolarHBondContact O-CB 3.43Å; E201-R204 PolarHBondContact O-N 3.08Å; E201-R204 IonicContact OE1-CZ 3.91Å; E201-R204 IonicContact OE1-NE 2.9Å; E201-R204 PolarHBondContact OE1-NE 3.02Å; E201-R204 IonicContact OE1-NH2 2.63Å; E201-R204 PolarHBondContact OE1-NH2 3Å; E201-R204 WeakPolarHBondContact OE2-CD 3.49Å; E201-R204 IonicContact OE2-CZ 3.61Å; E201-R204 IonicContact OE2-NE 2.87Å; E201-R204 PolarHBondContact OE2-NE 2.8Å; E201-L205 HydrophobicContact CG-CD1 4.25Å; E201-L205 WeakPolarHBondContact O-CG 3.45Å; E201-L205 PolarHBondContact O-N 2.74Å; E201-L228 HydrophobicContact CB-CD2 3.69Å; E201-L228 HydrophobicContact CG-CD2 3.45Å; E201-L228 VanDerWaalsContact CG-CD2 3.45Å
202I98.5Very high97.8Very high13 Ų1378.1 Ų78.17%0.06739%0.392CS..Hα-helixtrans-57.5-43.9170.8-72.7164.2000110.5Y198 R204 L205 Q206 E225 L228 K229 L232Y198-I202 WeakPolarHBondContact O-CB 3.38Å; Y198-I202 WeakPolarHBondContact O-CD1 3.42Å; Y198-I202 WeakPolarHBondContact O-CG1 3.47Å; Y198-I202 PolarHBondContact O-N 3.3Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.38Å; I202-L205 PolarHBondContact O-N 2.83Å; I202-Q206 HydrophobicContact CG2-CG 4.32Å; I202-Q206 WeakPolarHBondContact O-CB 3.47Å; I202-Q206 WeakPolarHBondContact O-CG 3.49Å; I202-Q206 PolarHBondContact O-N 3.49Å; I202-E225 HydrophobicContact CG2-CG 4.18Å; I202-L228 HydrophobicContact CD1-CG 4.25Å; I202-L228 HydrophobicContact CG1-CB 4.16Å; I202-L228 HydrophobicContact CG1-CD2 3.75Å; I202-L228 HydrophobicContact CG1-CG 3.86Å; I202-K229 HydrophobicContact CD1-CG 3.79Å; I202-K229 HydrophobicContact CG1-CG 4.28Å; I202-K229 HydrophobicContact CG2-CG 4.43Å; I202-L232 HydrophobicContact CD1-CB 4.38Å; I202-L232 HydrophobicContact CD1-CD1 3.5Å; I202-L232 VanDerWaalsContact CD1-CD1 3.5Å
203R98.5Very high97.7Very high77 Ų7778.1 Ų78.129%0.29140%0.401SS..Hα-helixtrans-62.6-41.4177.6-71175.1177-125.6-9.7112V199 A200 E201 L205 Q206 E207V199-R203 VanDerWaalsContact O-CG 3.32Å; V199-R203 WeakPolarHBondContact O-CG 3.3Å; V199-R203 PolarHBondContact O-N 2.97Å; V199-R203 VanDerWaalsContact O-N 3.11Å; A200-R203 WeakPolarHBondContact O-CB 3.44Å; A200-R203 PolarHBondContact O-N 2.95Å; E201-R203 VanDerWaalsContact C-N 3.28Å; E201-R203 PolarHBondContact O-N 3.29Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-Q206 PolarHBondContact O-N 3.46Å; R203-E207 WeakPolarHBondContact O-CG 3.3Å; R203-E207 PolarHBondContact O-N 3.39Å
204R98.6Very high97.5Very high103 Ų10376 Ų7639%0.38939%0.392SS..Hα-helixtrans-61.7-42.9176.1-169-162.269.975-2.7111.7A200 E201 I202 E207 K208A200-R204 PolarHBondContact O-N 3.33Å; A200-R204 VanDerWaalsContact O-N 3.08Å; E201-R204 VanDerWaalsContact CD-NE 3.27Å; E201-R204 WeakPolarHBondContact O-CB 3.43Å; E201-R204 PolarHBondContact O-N 3.08Å; E201-R204 IonicContact OE1-CZ 3.91Å; E201-R204 IonicContact OE1-NE 2.9Å; E201-R204 PolarHBondContact OE1-NE 3.02Å; E201-R204 IonicContact OE1-NH2 2.63Å; E201-R204 PolarHBondContact OE1-NH2 3Å; E201-R204 WeakPolarHBondContact OE2-CD 3.49Å; E201-R204 IonicContact OE2-CZ 3.61Å; E201-R204 IonicContact OE2-NE 2.87Å; E201-R204 PolarHBondContact OE2-NE 2.8Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.38Å; R204-E207 PolarHBondContact O-N 3.12Å; R204-K208 VanDerWaalsContact NH1-CE 3.32Å
205L98.4Very high97.3Very high7 Ų778.8 Ų78.84%0.03741%0.406CS..Hα-helixtrans-67.8-37.3177.4-70.5167.7000112E201 I202 R203 E207 K208 A221 Q224 E225 L228E201-L205 HydrophobicContact CG-CD1 4.25Å; E201-L205 WeakPolarHBondContact O-CG 3.45Å; E201-L205 PolarHBondContact O-N 2.74Å; I202-L205 PolarHBondContact O-N 2.83Å; R203-L205 VanDerWaalsContact C-N 3.35Å; L205-E207 PolarHBondContact O-N 3.35Å; L205-K208 WeakPolarHBondContact O-CB 3.36Å; L205-K208 PolarHBondContact O-N 2.8Å; L205-K208 VanDerWaalsContact O-N 3.15Å; L205-A221 HydrophobicContact CD2-CB 4.1Å; L205-Q224 HydrophobicContact CD1-CB 4.01Å; L205-Q224 HydrophobicContact CD2-CB 4.13Å; L205-E225 HydrophobicContact CB-CB 4.15Å; L205-E225 HydrophobicContact CD1-CB 4.42Å; L205-L228 HydrophobicContact CD1-CD2 4.22Å
206Q98.2Very high97Very high40 Ų4084 Ų8419%0.18743%0.434CS..Hα-helixtrans-65.2-24.7176.2-76.3172.5-20.700114I202 R203 E225I202-Q206 HydrophobicContact CG2-CG 4.32Å; I202-Q206 WeakPolarHBondContact O-CB 3.47Å; I202-Q206 WeakPolarHBondContact O-CG 3.49Å; I202-Q206 PolarHBondContact O-N 3.49Å; R203-Q206 PolarHBondContact O-N 3.46Å; Q206-E225 HydrophobicContact CG-CG 4.18Å; Q206-E225 VanDerWaalsContact CG-OE1 3.28Å; Q206-E225 WeakPolarHBondContact CG-OE1 3.34Å; Q206-E225 WeakPolarHBondContact CG-OE2 3.3Å; Q206-E225 PolarHBondContact NE2-OE1 3.06Å
207E98.1Very high96.8Very high115 Ų11584.6 Ų84.654%0.53743%0.429SS..THydrogen-bonded Turntrans-87.5-7.2177.4-71.8168.1-163.600112.8R203 R204 L205 E209 H339 L340R203-E207 WeakPolarHBondContact O-CG 3.3Å; R203-E207 PolarHBondContact O-N 3.39Å; R204-E207 PolarHBondContact O-N 3.12Å; L205-E207 PolarHBondContact O-N 3.35Å; E207-E209 PolarHBondContact O-N 3.5Å; E207-H339 IonicContact OE1-CD2 3.2Å; E207-H339 IonicContact OE1-CE1 2.94Å; E207-H339 IonicContact OE1-NE2 2.65Å; E207-H339 PolarHBondContact OE1-NE2 3.06Å; E207-L340 HydrophobicContact CG-CD1 4.4Å; E207-L340 HydrophobicContact CG-CD2 4.19Å
208K97.8Very high96.7Very high113 Ų11384 Ų8449%0.49143%0.432SS..  trans-72.1128.2176.8-76.2-71.4-170.9171.20110.4R204 L205 L210 A221R204-K208 VanDerWaalsContact NH1-CE 3.32Å; L205-K208 WeakPolarHBondContact O-CB 3.36Å; L205-K208 PolarHBondContact O-N 2.8Å; L205-K208 VanDerWaalsContact O-N 3.15Å; K208-L210 VanDerWaalsContact O-CD1 3.27Å; K208-L210 WeakPolarHBondContact O-CD1 3.28Å; K208-A221 HydrophobicContact CB-CB 3.82Å; K208-A221 HydrophobicContact CG-CB 4.2Å
209E97.4Very high96.6Very high181 Ų18185.4 Ų85.485%0.84644%0.443SS*.  trans-79.4132.4167.3-59.9-178.6-18000108.5E207E207-E209 PolarHBondContact O-N 3.5Å
210L96.7Very high96.5Very high57 Ų5783 Ų8330%0.29843%0.429SS..  trans-105.7127.2179.7-75.473.1000109.8K208 E214 L215 A221K208-L210 VanDerWaalsContact O-CD1 3.27Å; K208-L210 WeakPolarHBondContact O-CD1 3.28Å; L210-E214 WeakPolarHBondContact CA-OE2 3.28Å; L210-E214 HydrophobicContact CB-CB 4.27Å; L210-E214 HydrophobicContact CG-CB 4.42Å; L210-L215 HydrophobicContact CB-CD2 4Å; L210-L215 HydrophobicContact CB-CG 4.28Å; L210-L215 HydrophobicContact CD2-CD2 3.87Å; L210-A221 HydrophobicContact CD1-CB 4.23Å
211D95.9Very high96.5Very high82 Ų8280.8 Ų80.844%0.43941%0.41SS..  trans-80.2175169.478.230.9000112.7S213 E214 L215D211-S213 PolarHBondContact O-N 3.3Å; D211-S213 VanDerWaalsContact OD1-CA 3.3Å; D211-S213 WeakPolarHBondContact OD1-CA 3.33Å; D211-S213 WeakPolarHBondContact OD1-CB 3.15Å; D211-S213 PolarHBondContact OD1-N 3.45Å; D211-S213 PolarHBondContact OD1-OG 3.22Å; D211-S213 PolarHBondContact OD2-OG 2.76Å; D211-E214 PolarHBondContact N-OE2 2.89Å; D211-E214 PolarHBondContact O-N 2.98Å; D211-E214 PolarHBondContact OD1-N 3.29Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 3.03Å
212L95.4Very high96.4Very high153 Ų15383.8 Ų83.880%0.80142%0.42SS*.THydrogen-bonded Turntrans-65.5-25.3-177.9-64.2-179.3000113.8L215L212-L215 HydrophobicContact CD2-CD1 4.23Å
213S94.1Very high96.3Very high85 Ų8586.3 Ų86.359%0.59443%0.433SS*.THydrogen-bonded Turntrans-79.9-37.8175.465.40000111.6D211 L215 D216 D217D211-S213 PolarHBondContact O-N 3.3Å; D211-S213 VanDerWaalsContact OD1-CA 3.3Å; D211-S213 WeakPolarHBondContact OD1-CA 3.33Å; D211-S213 WeakPolarHBondContact OD1-CB 3.15Å; D211-S213 PolarHBondContact OD1-N 3.45Å; D211-S213 PolarHBondContact OD1-OG 3.22Å; D211-S213 PolarHBondContact OD2-OG 2.76Å; S213-L215 VanDerWaalsContact C-N 3.32Å; S213-L215 PolarHBondContact O-N 3.26Å; S213-D216 PolarHBondContact O-N 3.43Å; S213-D217 PolarHBondContact O-N 3.4Å
214E94.8Very high96.3Very high68 Ų6886.1 Ų86.132%0.31844%0.435SS..G310 helixtrans-67.9-30.7174.1-67.4176.6114.200111.9L210 D211 D216 D217 S220L210-E214 WeakPolarHBondContact CA-OE2 3.28Å; L210-E214 HydrophobicContact CB-CB 4.27Å; L210-E214 HydrophobicContact CG-CB 4.42Å; D211-E214 PolarHBondContact N-OE2 2.89Å; D211-E214 PolarHBondContact O-N 2.98Å; D211-E214 PolarHBondContact OD1-N 3.29Å; E214-D216 PolarHBondContact O-N 2.91Å; E214-D217 WeakPolarHBondContact O-CB 3.3Å; E214-D217 PolarHBondContact O-N 3.36Å; E214-D217 VanDerWaalsContact O-N 3.14Å; E214-S220 WeakPolarHBondContact O-CB 3.43Å
215L92.4Very high96.3Very high113 Ų11382.2 Ų82.259%0.59242%0.421SS*.G310 helixtrans-65.2-22.7173.7-72176.4000113.6L210 D211 L212 S213L210-L215 HydrophobicContact CB-CD2 4Å; L210-L215 HydrophobicContact CB-CG 4.28Å; L210-L215 HydrophobicContact CD2-CD2 3.87Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 3.03Å; L212-L215 HydrophobicContact CD2-CD1 4.23Å; S213-L215 VanDerWaalsContact C-N 3.32Å; S213-L215 PolarHBondContact O-N 3.26Å
216D92.1Very high96.3Very high147 Ų14783.5 Ų83.579%0.78643%0.433SS*.G310 helixtrans-96.7-3.9175.4-158.140000112.2S213 E214 P218S213-D216 PolarHBondContact O-N 3.43Å; E214-D216 PolarHBondContact O-N 2.91Å; D216-P218 WeakPolarHBondContact O-CD 3.27Å
217D94.8Very high96.2Very high72 Ų7286.4 Ų86.439%0.38544%0.442SS..  trans-81.2121.1-178.9-168.5-21.8000111.2S213 E214 D219 S220S213-D217 PolarHBondContact O-N 3.4Å; E214-D217 WeakPolarHBondContact O-CB 3.3Å; E214-D217 PolarHBondContact O-N 3.36Å; E214-D217 VanDerWaalsContact O-N 3.14Å; D217-D219 PolarHBondContact O-N 2.93Å; D217-D219 PolarHBondContact OD1-N 3.24Å; D217-S220 VanDerWaalsContact O-CB 3.3Å; D217-S220 WeakPolarHBondContact O-CB 3.44Å; D217-S220 PolarHBondContact O-N 3.02Å; D217-S220 VanDerWaalsContact O-N 3.07Å
218P96.1Very high96.3Very high103 Ų10382.1 Ų82.167%0.66942%0.423SS*.THydrogen-bonded Turntrans-59.3-23.3174.1-22.834.2000114.3D216 L223D216-P218 WeakPolarHBondContact O-CD 3.27Å; P218-L223 WeakPolarHBondContact O-CB 3.26Å; P218-L223 WeakPolarHBondContact O-CG 3.48Å
219D95.9Very high96.3Very high83 Ų8381 Ų8144%0.44442%0.418SS..THydrogen-bonded Turntrans-106.822.7177.2-80.7-38.1000112.7D217 Q224 R227D217-D219 PolarHBondContact O-N 2.93Å; D217-D219 PolarHBondContact OD1-N 3.24Å; D219-Q224 PolarHBondContact O-NE2 2.63Å; D219-R227 IonicContact OD1-CZ 2.78Å; D219-R227 IonicContact OD1-NH1 3.79Å; D219-R227 PolarHBondContact OD1-NH1 3.47Å; D219-R227 IonicContact OD1-NH2 3.64Å; D219-R227 PolarHBondContact OD1-NH2 2.97Å
220S95.8Very high96.3Very high6 Ų679.1 Ų79.14%0.04240%0.403CS..SBendtrans-57.7160.4174.479.30000113.4E214 D217 Y222 L223 Q224E214-S220 WeakPolarHBondContact O-CB 3.43Å; D217-S220 VanDerWaalsContact O-CB 3.3Å; D217-S220 WeakPolarHBondContact O-CB 3.44Å; D217-S220 PolarHBondContact O-N 3.02Å; D217-S220 VanDerWaalsContact O-N 3.07Å; S220-Y222 PolarHBondContact O-N 2.83Å; S220-Y222 VanDerWaalsContact O-N 3.1Å; S220-L223 PolarHBondContact O-N 3.4Å; S220-L223 WeakPolarHBondContact OG-CD2 3.49Å; S220-Q224 WeakPolarHBondContact O-CG 3.25Å; S220-Q224 PolarHBondContact O-N 2.94Å
221A97.6Very high96.4Very high11 Ų1181.5 Ų81.59%0.09141%0.411CS..Hα-helixtrans-54.6-33178.100000112.7L205 K208 L210 E225L205-A221 HydrophobicContact CD2-CB 4.1Å; K208-A221 HydrophobicContact CB-CB 3.82Å; K208-A221 HydrophobicContact CG-CB 4.2Å; L210-A221 HydrophobicContact CD1-CB 4.23Å; A221-E225 WeakPolarHBondContact O-CB 3.31Å; A221-E225 PolarHBondContact O-N 2.87Å
222Y97.1Very high96.5Very high131 Ų13178.8 Ų78.851%0.51440%0.397SS..Hα-helixtrans-67.6-42.7176.9-178.3-108000112.5S220 E225 A226S220-Y222 PolarHBondContact O-N 2.83Å; S220-Y222 VanDerWaalsContact O-N 3.1Å; Y222-E225 WeakPolarHBondContact O-CB 3.36Å; Y222-E225 PolarHBondContact O-N 2.87Å; Y222-A226 PolarHBondContact O-N 3.49Å
223L97.5Very high96.6Very high65 Ų6576.5 Ų76.534%0.3438%0.384SS..Hα-helixtrans-72.2-35.5177.6-78.9-49.2000111.4P218 S220 A226 R227P218-L223 WeakPolarHBondContact O-CB 3.26Å; P218-L223 WeakPolarHBondContact O-CG 3.48Å; S220-L223 PolarHBondContact O-N 3.4Å; S220-L223 WeakPolarHBondContact OG-CD2 3.49Å; L223-A226 PolarHBondContact O-N 3.35Å; L223-R227 WeakPolarHBondContact O-CG 3.33Å; L223-R227 PolarHBondContact O-N 2.84Å
224Q98Very high96.8Very high73 Ų7379 Ų7934%0.34138%0.381SS..Hα-helixtrans-60.5-45.8170.2-69.3-178.345.100111.4L205 D219 S220 A226 R227 L228L205-Q224 HydrophobicContact CD1-CB 4.01Å; L205-Q224 HydrophobicContact CD2-CB 4.13Å; D219-Q224 PolarHBondContact O-NE2 2.63Å; S220-Q224 WeakPolarHBondContact O-CG 3.25Å; S220-Q224 PolarHBondContact O-N 2.94Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.04Å; Q224-R227 PolarHBondContact O-N 3.09Å; Q224-L228 WeakPolarHBondContact O-CB 3.24Å; Q224-L228 PolarHBondContact O-N 3.25Å
225E98Very high96.9Very high21 Ų2176.7 Ų76.710%0.09837%0.37CS..Hα-helixtrans-57.2-46.5175.6-172.5-164.4153.100110.8I202 L205 Q206 A221 Y222 L228 K229I202-E225 HydrophobicContact CG2-CG 4.18Å; L205-E225 HydrophobicContact CB-CB 4.15Å; L205-E225 HydrophobicContact CD1-CB 4.42Å; Q206-E225 HydrophobicContact CG-CG 4.18Å; Q206-E225 VanDerWaalsContact CG-OE1 3.28Å; Q206-E225 WeakPolarHBondContact CG-OE1 3.34Å; Q206-E225 WeakPolarHBondContact CG-OE2 3.3Å; Q206-E225 PolarHBondContact NE2-OE1 3.06Å; A221-E225 WeakPolarHBondContact O-CB 3.31Å; A221-E225 PolarHBondContact O-N 2.87Å; Y222-E225 WeakPolarHBondContact O-CB 3.36Å; Y222-E225 PolarHBondContact O-N 2.87Å; E225-L228 PolarHBondContact O-N 2.97Å; E225-K229 HydrophobicContact CG-CD 4.23Å; E225-K229 WeakPolarHBondContact O-CB 3.5Å; E225-K229 WeakPolarHBondContact O-CG 3.41Å; E225-K229 PolarHBondContact O-N 2.95Å; E225-K229 WeakPolarHBondContact OE1-CE 3.48Å; E225-K229 IonicContact OE1-NZ 2.73Å; E225-K229 PolarHBondContact OE1-NZ 3.24Å
226A97.5Very high97.1Very high34 Ų3474.2 Ų74.228%0.28136%0.355SS..Hα-helixtrans-64.3-41.7179.100000112.9Y222 L223 Q224 R230Y222-A226 PolarHBondContact O-N 3.49Å; L223-A226 PolarHBondContact O-N 3.35Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.04Å; A226-R230 WeakPolarHBondContact O-CG 3.49Å; A226-R230 PolarHBondContact O-N 3.09Å; A226-R230 PolarHBondContact O-NE 3.42Å
227R98.1Very high97.4Very high101 Ų10168.1 Ų68.138%0.38133%0.326SS..Hα-helixtrans-62.7-43.5174-76.6-174.5-66.1-169.7-2.3111.1D219 L223 Q224 R230 K231D219-R227 IonicContact OD1-CZ 2.78Å; D219-R227 IonicContact OD1-NH1 3.79Å; D219-R227 PolarHBondContact OD1-NH1 3.47Å; D219-R227 IonicContact OD1-NH2 3.64Å; D219-R227 PolarHBondContact OD1-NH2 2.97Å; L223-R227 WeakPolarHBondContact O-CG 3.33Å; L223-R227 PolarHBondContact O-N 2.84Å; Q224-R227 PolarHBondContact O-N 3.09Å; R227-R230 PolarHBondContact O-N 2.91Å; R227-K231 PolarHBondContact O-N 3.24Å; R227-K231 VanDerWaalsContact O-N 3.07Å
228L98.2Very high97.4Very high25 Ų2569.1 Ų69.113%0.13133%0.325CS..Hα-helixtrans-70.3-38.8-178.1-168.258.5000112.4Y198 E201 I202 L205 Q224 E225 R230 K231 L232Y198-L228 HydrophobicContact CD1-CD1 3.63Å; Y198-L228 HydrophobicContact CD2-CD1 4.47Å; Y198-L228 HydrophobicContact CE1-CD1 3.95Å; Y198-L228 HydrophobicContact CG-CD1 3.91Å; E201-L228 HydrophobicContact CB-CD2 3.69Å; E201-L228 HydrophobicContact CG-CD2 3.45Å; E201-L228 VanDerWaalsContact CG-CD2 3.45Å; I202-L228 HydrophobicContact CD1-CG 4.25Å; I202-L228 HydrophobicContact CG1-CB 4.16Å; I202-L228 HydrophobicContact CG1-CD2 3.75Å; I202-L228 HydrophobicContact CG1-CG 3.86Å; L205-L228 HydrophobicContact CD1-CD2 4.22Å; Q224-L228 WeakPolarHBondContact O-CB 3.24Å; Q224-L228 PolarHBondContact O-N 3.25Å; E225-L228 PolarHBondContact O-N 2.97Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.09Å; L228-K231 PolarHBondContact O-N 3.12Å; L228-L232 WeakPolarHBondContact O-CB 3.2Å; L228-L232 PolarHBondContact O-N 2.92Å
229K98.3Very high97.4Very high90 Ų9064.7 Ų64.739%0.39130%0.296SS..Hα-helixtrans-58.1-43.5170.7-80.1174166.5175.70112I202 E225 L232 I233I202-K229 HydrophobicContact CD1-CG 3.79Å; I202-K229 HydrophobicContact CG1-CG 4.28Å; I202-K229 HydrophobicContact CG2-CG 4.43Å; E225-K229 HydrophobicContact CG-CD 4.23Å; E225-K229 WeakPolarHBondContact O-CB 3.5Å; E225-K229 WeakPolarHBondContact O-CG 3.41Å; E225-K229 PolarHBondContact O-N 2.95Å; E225-K229 WeakPolarHBondContact OE1-CE 3.48Å; E225-K229 IonicContact OE1-NZ 2.73Å; E225-K229 PolarHBondContact OE1-NZ 3.24Å; K229-L232 WeakPolarHBondContact O-CB 3.38Å; K229-L232 PolarHBondContact O-N 2.9Å; K229-I233 WeakPolarHBondContact O-CG1 3.27Å; K229-I233 PolarHBondContact O-N 3.02Å
230R98.2Very high97.4Very high141 Ų14161.4 Ų61.453%0.53228%0.279SS..Hα-helixtrans-60.3-47.8174.6-76.2-179.2-81.7159.1-10.8111.9A226 R227 L228 L232 I233 R234A226-R230 WeakPolarHBondContact O-CG 3.49Å; A226-R230 PolarHBondContact O-N 3.09Å; A226-R230 PolarHBondContact O-NE 3.42Å; R227-R230 PolarHBondContact O-N 2.91Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.09Å; R230-L232 VanDerWaalsContact C-N 3.31Å; R230-L232 PolarHBondContact O-N 2.99Å; R230-I233 PolarHBondContact O-N 2.85Å; R230-R234 PolarHBondContact O-N 3.22Å; R230-R234 VanDerWaalsContact O-N 3.07Å
231K98Very high97.4Very high107 Ų10767.3 Ų67.347%0.46531%0.306SS..Hα-helixtrans-58.7-41.7174.9-73-174.7177.8-171.80112Y198 R227 L228 R234 L235Y198-K231 HydrophobicContact CE2-CB 4.22Å; R227-K231 PolarHBondContact O-N 3.24Å; R227-K231 VanDerWaalsContact O-N 3.07Å; L228-K231 PolarHBondContact O-N 3.12Å; K231-R234 PolarHBondContact O-N 3.35Å; K231-L235 WeakPolarHBondContact O-CB 3.36Å; K231-L235 PolarHBondContact O-N 3.19Å
232L98.2Very high97.3Very high26 Ų2668 Ų6814%0.13631%0.307CS..Hα-helixtrans-61.5-46.2177.4-177.1158.7000112.1L195 Y198 V199 I202 L228 K229 R230 L235 F236L195-L232 HydrophobicContact CD1-CD2 4.06Å; L195-L232 HydrophobicContact CD1-CG 3.75Å; Y198-L232 HydrophobicContact CD2-CB 4.17Å; V199-L232 HydrophobicContact CG2-CD1 3.68Å; I202-L232 HydrophobicContact CD1-CB 4.38Å; I202-L232 HydrophobicContact CD1-CD1 3.5Å; I202-L232 VanDerWaalsContact CD1-CD1 3.5Å; L228-L232 WeakPolarHBondContact O-CB 3.2Å; L228-L232 PolarHBondContact O-N 2.92Å; K229-L232 WeakPolarHBondContact O-CB 3.38Å; K229-L232 PolarHBondContact O-N 2.9Å; R230-L232 VanDerWaalsContact C-N 3.31Å; R230-L232 PolarHBondContact O-N 2.99Å; L232-L235 PolarHBondContact O-N 2.88Å; L232-F236 WeakPolarHBondContact O-CB 3.33Å; L232-F236 PolarHBondContact O-N 3.12Å
233I97.4Very high97.2Very high105 Ų10566 Ų6654%0.53830%0.301SS..Hα-helixtrans-67.9-37.1-179.9-63.7-60000111.6K229 R230 F236 G237K229-I233 WeakPolarHBondContact O-CG1 3.27Å; K229-I233 PolarHBondContact O-N 3.02Å; R230-I233 PolarHBondContact O-N 2.85Å; I233-F236 WeakPolarHBondContact O-CB 3.11Å; I233-F236 PolarHBondContact O-N 3.06Å; I233-G237 PolarHBondContact O-N 3.23Å
234R97.8Very high97Very high137 Ų13768 Ų6852%0.51731%0.312SS..Hα-helixtrans-61.4-46171.4-71.6-168.6-66.8-103.713.1112R230 K231 F236 G237 R238R230-R234 PolarHBondContact O-N 3.22Å; R230-R234 VanDerWaalsContact O-N 3.07Å; K231-R234 PolarHBondContact O-N 3.35Å; R234-F236 VanDerWaalsContact C-N 3.28Å; R234-F236 PolarHBondContact O-N 3.34Å; R234-G237 PolarHBondContact O-N 3.09Å; R234-G237 VanDerWaalsContact O-N 3.17Å; R234-R238 PolarHBondContact O-N 3.5Å
235L97.6Very high96.8Very high20 Ų2068.1 Ų68.111%0.10532%0.321CS..Hα-helixtrans-60.5-38.3175.6-179.762.8000112L191 L194 L195 Y198 K231 L232 R238 L239L191-L235 HydrophobicContact CB-CD1 4.08Å; L191-L235 HydrophobicContact CD2-CD1 3.57Å; L191-L235 HydrophobicContact CG-CD1 4.24Å; L194-L235 HydrophobicContact CB-CD2 4.08Å; L194-L235 HydrophobicContact CD2-CD1 4.45Å; L194-L235 HydrophobicContact CD2-CD2 3.89Å; L194-L235 HydrophobicContact CG-CD2 3.8Å; L195-L235 HydrophobicContact CB-CD2 4.05Å; L195-L235 HydrophobicContact CD1-CB 4.3Å; L195-L235 HydrophobicContact CD1-CD2 3.9Å; L195-L235 HydrophobicContact CD1-CG 4.08Å; Y198-L235 HydrophobicContact CD2-CD2 3.96Å; Y198-L235 HydrophobicContact CE2-CD2 3.82Å; K231-L235 WeakPolarHBondContact O-CB 3.36Å; K231-L235 PolarHBondContact O-N 3.19Å; L232-L235 PolarHBondContact O-N 2.88Å; L235-R238 PolarHBondContact O-N 3.38Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 PolarHBondContact O-N 2.96Å
236F97.7Very high96.6Very high61 Ų6170.7 Ų70.727%0.26834%0.341SS..Hα-helixtrans-62.9-44.9173.6173.3-97.1000112.1L195 L232 I233 R234 R238 L239 C240 T249L195-F236 HydrophobicContact CD1-CB 4.49Å; L232-F236 WeakPolarHBondContact O-CB 3.33Å; L232-F236 PolarHBondContact O-N 3.12Å; I233-F236 WeakPolarHBondContact O-CB 3.11Å; I233-F236 PolarHBondContact O-N 3.06Å; R234-F236 VanDerWaalsContact C-N 3.28Å; R234-F236 PolarHBondContact O-N 3.34Å; F236-R238 PolarHBondContact O-N 3.41Å; F236-L239 WeakPolarHBondContact O-CB 3.38Å; F236-L239 PolarHBondContact O-N 3.08Å; F236-L239 VanDerWaalsContact O-N 3.16Å; F236-C240 VanDerWaalsContact CZ-SG 3.57Å; F236-C240 PolarHBondContact O-N 2.8Å; F236-C240 PolarHBondContact O-SG 2.66Å; F236-T249 HydrophobicContact CE1-CG2 3.76Å; F236-T249 HydrophobicContact CZ-CG2 4.08Å
237G96.7Very high96.5Very high18 Ų1873.1 Ų73.119%0.18636%0.356CS..Hα-helixtrans-55.2-50.1173.900000112.1I233 R234 L239 C240 E241I233-G237 PolarHBondContact O-N 3.23Å; R234-G237 PolarHBondContact O-N 3.09Å; R234-G237 VanDerWaalsContact O-N 3.17Å; G237-L239 VanDerWaalsContact C-N 3.3Å; G237-L239 PolarHBondContact O-N 3.13Å; G237-C240 WeakPolarHBondContact O-CB 3.32Å; G237-C240 PolarHBondContact O-N 3.27Å; G237-E241 PolarHBondContact O-N 3.09Å
238R95.4Very high96.3Very high94 Ų9473.6 Ų73.636%0.35537%0.365SS..Hα-helixtrans-60.8-37.1176.3-174.759.1177-128.70.1113R234 L235 F236 E241 L242 Q471R234-R238 PolarHBondContact O-N 3.5Å; L235-R238 PolarHBondContact O-N 3.38Å; F236-R238 PolarHBondContact O-N 3.41Å; R238-E241 WeakPolarHBondContact CD-OE2 3.44Å; R238-E241 PolarHBondContact O-N 3.45Å; R238-L242 HydrophobicContact CG-CD1 4.32Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 VanDerWaalsContact O-CG 3.31Å; R238-L242 WeakPolarHBondContact O-CG 3.39Å; R238-L242 PolarHBondContact O-N 3.23Å; R238-Q471 VanDerWaalsContact NH2-OE1 3.13Å
239L96.7Very high96.1Very high10 Ų1076.3 Ų76.35%0.05238%0.383CS..Hα-helixtrans-65.2-38174.1-88.3171.1000112.3I188 L191 E192 L195 L235 F236 G237 K243I188-L239 HydrophobicContact CG2-CD2 4.27Å; L191-L239 HydrophobicContact CB-CD1 4.24Å; L191-L239 HydrophobicContact CB-CD2 3.63Å; L191-L239 HydrophobicContact CB-CG 3.93Å; L191-L239 HydrophobicContact CD1-CD2 4.16Å; L191-L239 HydrophobicContact CD1-CG 4.44Å; E192-L239 HydrophobicContact CG-CD1 4.36Å; E192-L239 HydrophobicContact CG-CD2 4.26Å; L195-L239 HydrophobicContact CB-CD1 4.49Å; L195-L239 HydrophobicContact CD2-CD1 4.07Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 PolarHBondContact O-N 2.96Å; F236-L239 WeakPolarHBondContact O-CB 3.38Å; F236-L239 PolarHBondContact O-N 3.08Å; F236-L239 VanDerWaalsContact O-N 3.16Å; G237-L239 VanDerWaalsContact C-N 3.3Å; G237-L239 PolarHBondContact O-N 3.13Å; L239-K243 WeakPolarHBondContact O-CB 3.3Å; L239-K243 WeakPolarHBondContact O-CG 2.98Å; L239-K243 PolarHBondContact O-N 2.92Å; L239-K243 VanDerWaalsContact O-N 3.1Å
240C96.4Very high95.9Very high13 Ų1375 Ų759%0.08840%0.395CS..Hα-helixtrans-64.8-44.9175.1-73.30000111.4F236 G237 K243 D244 C245 S246F236-C240 VanDerWaalsContact CZ-SG 3.57Å; F236-C240 PolarHBondContact O-N 2.8Å; F236-C240 PolarHBondContact O-SG 2.66Å; G237-C240 WeakPolarHBondContact O-CB 3.32Å; G237-C240 PolarHBondContact O-N 3.27Å; C240-K243 CarbonylContact O-C 3.51Å; C240-K243 PolarHBondContact O-N 2.99Å; C240-D244 PolarHBondContact O-N 3.23Å; C240-C245 CarbonylContact C-O 3.58Å; C240-C245 PolarHBondContact O-N 3.47Å; C240-S246 PolarHBondContact SG-O 3.42Å
241E95.5Very high95.7Very high131 Ų13172.3 Ų72.361%0.61239%0.385SS*.Hα-helixtrans-58.2-49.9174.6-69.4161.2-161.700111.8G237 R238 K243 D244G237-E241 PolarHBondContact O-N 3.09Å; R238-E241 WeakPolarHBondContact CD-OE2 3.44Å; R238-E241 PolarHBondContact O-N 3.45Å; E241-K243 PolarHBondContact O-N 3.43Å; E241-D244 PolarHBondContact O-N 3.07Å
242L95.1Very high95.5Very high24 Ų2467.8 Ų67.813%0.12637%0.366CS..Hα-helixtrans-61.4-28.9178.6-75170.9000112.9G183 Q187 I188 L191 R238G183-L242 WeakPolarHBondContact CA-O 3.46Å; G183-L242 PolarHBondContact N-O 3.13Å; Q187-L242 HydrophobicContact CG-CD1 4.25Å; I188-L242 HydrophobicContact CG1-CB 4.34Å; L191-L242 HydrophobicContact CD1-CD1 3.35Å; R238-L242 HydrophobicContact CG-CD1 4.32Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 VanDerWaalsContact O-CG 3.31Å; R238-L242 WeakPolarHBondContact O-CG 3.39Å; R238-L242 PolarHBondContact O-N 3.23Å
243K94.8Very high95.3Very high89 Ų8969 Ų6939%0.38737%0.373SS..THydrogen-bonded Turntrans-91-1.4178-77.5-176.8161.7172.40114I188 E192 L239 C240 E241 C245I188-K243 HydrophobicContact CD1-CG 4.01Å; E192-K243 IonicContact OE1-NZ 2.62Å; E192-K243 PolarHBondContact OE1-NZ 3.49Å; L239-K243 WeakPolarHBondContact O-CB 3.3Å; L239-K243 WeakPolarHBondContact O-CG 2.98Å; L239-K243 PolarHBondContact O-N 2.92Å; L239-K243 VanDerWaalsContact O-N 3.1Å; C240-K243 CarbonylContact O-C 3.51Å; C240-K243 PolarHBondContact O-N 2.99Å; E241-K243 PolarHBondContact O-N 3.43Å; K243-C245 VanDerWaalsContact C-N 3.31Å; K243-C245 HydrophobicContact CB-CB 4.44Å; K243-C245 PolarHBondContact O-SG 3.28Å
244D93.7Very high95.2Very high107 Ų10767.5 Ų67.557%0.57236%0.363SS*.THydrogen-bonded Turntrans54.848-173.7-164.136.5000111.5C240 E241C240-D244 PolarHBondContact O-N 3.23Å; E241-D244 PolarHBondContact O-N 3.07Å
245C93.9Very high95Very high76 Ų7666.7 Ų66.751%0.51437%0.365SS..  trans-122.8154.6-179.8-67.40000110.6C240 K243C240-C245 CarbonylContact C-O 3.58Å; C240-C245 PolarHBondContact O-N 3.47Å; K243-C245 VanDerWaalsContact C-N 3.31Å; K243-C245 HydrophobicContact CB-CB 4.44Å; K243-C245 PolarHBondContact O-SG 3.28Å
246S93.6Very high95Very high75 Ų7572.9 Ų72.952%0.52439%0.387SS..  trans-67.5151.9171.51770000111.4C240 L248C240-S246 PolarHBondContact SG-O 3.42Å; S246-L248 PolarHBondContact O-N 3.09Å; S246-L248 VanDerWaalsContact OG-CG 3.28Å; S246-L248 WeakPolarHBondContact OG-CG 3.44Å; S246-L248 PolarHBondContact OG-N 3.39Å
247S94.7Very high95Very high85 Ų8570.7 Ų70.759%0.59438%0.378SS*.  trans-74.81.4172.253.50000114.1
248L94.4Very high95Very high111 Ų11173.4 Ų73.458%0.58139%0.393SS*.  trans-59.9137.8175.7-68.8172.4000111.7S246 E254S246-L248 PolarHBondContact O-N 3.09Å; S246-L248 VanDerWaalsContact OG-CG 3.28Å; S246-L248 WeakPolarHBondContact OG-CG 3.44Å; S246-L248 PolarHBondContact OG-N 3.39Å; L248-E254 HydrophobicContact CD2-CB 4.25Å; L248-E254 HydrophobicContact CD2-CG 3.76Å
249T94.7Very high95.1Very high82 Ų8269.1 Ų69.150%0.50338%0.376SS..  trans-109.2-4.6-173.756.40000113.3F236 R251 E254F236-T249 HydrophobicContact CE1-CG2 3.76Å; F236-T249 HydrophobicContact CZ-CG2 4.08Å; T249-R251 WeakPolarHBondContact OG1-CG 3.13Å; T249-E254 PolarHBondContact N-OE1 3.4Å; T249-E254 PolarHBondContact N-OE2 2.99Å; T249-E254 PolarHBondContact OG1-OE1 3.3Å
250G93.9Very high95.2Very high62 Ų6279 Ų7964%0.63941%0.413SS*.  trans8520.7-177.300000113.3E254G250-E254 WeakPolarHBondContact CA-OE2 3.07Å; G250-E254 PolarHBondContact N-OE2 3.04Å
251R94Very high95.2Very high86 Ų8680.5 Ų80.533%0.32543%0.43SS..  trans-64.8156.4179.7-70.6-86.7-62.7-78.62.8111.7T249 I253 E254 D331T249-R251 WeakPolarHBondContact OG1-CG 3.13Å; R251-I253 VanDerWaalsContact C-N 3.31Å; R251-I253 HydrophobicContact CB-CG1 3.88Å; R251-I253 PolarHBondContact O-N 3.25Å; R251-E254 HydrophobicContact CB-CG 3.94Å; R251-E254 PolarHBondContact N-OE2 2.92Å; R251-E254 WeakPolarHBondContact O-CB 3.45Å; R251-E254 PolarHBondContact O-N 2.78Å; R251-D331 IonicContact CZ-OD1 2.69Å; R251-D331 IonicContact CZ-OD2 2.69Å; R251-D331 VanDerWaalsContact CZ-OD2 3.29Å; R251-D331 IonicContact NE-OD1 3.06Å; R251-D331 PolarHBondContact NE-OD1 3.15Å; R251-D331 IonicContact NE-OD2 3.67Å; R251-D331 PolarHBondContact NE-OD2 2.96Å; R251-D331 VanDerWaalsContact NE-OD2 3.09Å; R251-D331 IonicContact NH2-OD1 3.74Å; R251-D331 IonicContact NH2-OD2 3.96Å; R251-D331 PolarHBondContact NH2-OD2 2.98Å
252V94.1Very high95.2Very high11 Ų1175.1 Ų75.17%0.06741%0.406CS..G310 helixtrans-71.2-33.3-179.3-175.40000110.6E254 Q255 R327 L330 D331 Y334V252-E254 PolarHBondContact O-N 2.98Å; V252-Q255 VanDerWaalsContact O-CB 3.3Å; V252-Q255 WeakPolarHBondContact O-CB 3.38Å; V252-Q255 WeakPolarHBondContact O-CG 3.34Å; V252-Q255 PolarHBondContact O-N 3.35Å; V252-Q255 VanDerWaalsContact O-N 3.07Å; V252-R327 HydrophobicContact CG1-CG 4.07Å; V252-R327 WeakPolarHBondContact O-CD 3.46Å; V252-R327 WeakPolarHBondContact O-CG 3.43Å; V252-L330 HydrophobicContact CG1-CB 3.82Å; V252-L330 HydrophobicContact CG1-CD1 4.49Å; V252-L330 HydrophobicContact CG2-CB 4.48Å; V252-D331 HydrophobicContact CB-CB 3.91Å; V252-D331 PolarHBondContact N-OD1 3.43Å; V252-Y334 HydrophobicContact CG2-CD2 3.55Å; V252-Y334 HydrophobicContact CG2-CE2 4.21Å; V252-Y334 HydrophobicContact CG2-CG 4.47Å
253I93.8Very high95.3Very high53 Ų5385.4 Ų85.427%0.27244%0.443SS..G310 helixtrans-63.4-23.317455.1168.8000114R251 Q255 R327 D331R251-I253 VanDerWaalsContact C-N 3.31Å; R251-I253 HydrophobicContact CB-CG1 3.88Å; R251-I253 PolarHBondContact O-N 3.25Å; I253-Q255 PolarHBondContact O-N 2.74Å; I253-R327 PolarHBondContact O-NH1 3.47Å; I253-D331 HydrophobicContact CG2-CB 3.76Å; I253-D331 PolarHBondContact N-OD1 2.89Å
254E94.1Very high95.4Very high72 Ų7284.2 Ų84.234%0.33644%0.437SS..G310 helixtrans-73.8-15.8175.7-63.5166.7-167.300111.7L248 T249 G250 R251 V252 R256L248-E254 HydrophobicContact CD2-CB 4.25Å; L248-E254 HydrophobicContact CD2-CG 3.76Å; T249-E254 PolarHBondContact N-OE1 3.4Å; T249-E254 PolarHBondContact N-OE2 2.99Å; T249-E254 PolarHBondContact OG1-OE1 3.3Å; G250-E254 WeakPolarHBondContact CA-OE2 3.07Å; G250-E254 PolarHBondContact N-OE2 3.04Å; R251-E254 HydrophobicContact CB-CG 3.94Å; R251-E254 PolarHBondContact N-OE2 2.92Å; R251-E254 WeakPolarHBondContact O-CB 3.45Å; R251-E254 PolarHBondContact O-N 2.78Å; V252-E254 PolarHBondContact O-N 2.98Å; E254-R256 PolarHBondContact O-N 3.02Å
255Q94.9Very high95.6Very high121 Ų12182.6 Ų82.657%0.56543%0.432SS*.SBendtrans-73.9123.6179.6-58.7178.616.600110.7V252 I253 I257 R327V252-Q255 VanDerWaalsContact O-CB 3.3Å; V252-Q255 WeakPolarHBondContact O-CB 3.38Å; V252-Q255 WeakPolarHBondContact O-CG 3.34Å; V252-Q255 PolarHBondContact O-N 3.35Å; V252-Q255 VanDerWaalsContact O-N 3.07Å; I253-Q255 PolarHBondContact O-N 2.74Å; Q255-I257 PolarHBondContact O-N 3.47Å; Q255-R327 PolarHBondContact O-NH1 3.46Å; Q255-R327 VanDerWaalsContact O-NH1 3.09Å
256R96.9Very high95.8Very high149 Ų14981.1 Ų81.156%0.56242%0.418SS*.  trans-65.8123.5177.9-170.6173.2-176.3-96.9-1.6110.6E254 P258 E272 N276E254-R256 PolarHBondContact O-N 3.02Å; R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.35Å; R256-E272 IonicContact CZ-OE1 2.95Å; R256-E272 IonicContact CZ-OE2 3.68Å; R256-E272 IonicContact NH1-OE1 2.88Å; R256-E272 PolarHBondContact NH1-OE1 3.29Å; R256-E272 IonicContact NH1-OE2 2.65Å; R256-E272 VanDerWaalsContact NH2-CG 3.31Å; R256-E272 IonicContact NH2-OE1 3.5Å; R256-E272 PolarHBondContact NH2-OE1 3.14Å; R256-E272 IonicContact NH2-OE2 2.6Å; R256-E272 PolarHBondContact NH2-OE2 3.33Å; R256-N276 WeakPolarHBondContact CA-OD1 3.37Å; R256-N276 HydrophobicContact CG-CB 4.28Å
257I97Very high96Very high15 Ų1577.5 Ų77.58%0.07739%0.393CS..  trans-83114.3173.5-61.2172000108.4Q255 I275 N276 R323 L324 R327Q255-I257 PolarHBondContact O-N 3.47Å; I257-I275 HydrophobicContact CB-CD1 3.98Å; I257-I275 HydrophobicContact CG2-CD1 3.81Å; I257-N276 PolarHBondContact N-OD1 2.94Å; I257-N276 PolarHBondContact O-ND2 3.03Å; I257-R323 HydrophobicContact CD1-CB 4.23Å; I257-R323 HydrophobicContact CG2-CB 3.95Å; I257-R323 HydrophobicContact CG2-CG 4.45Å; I257-L324 HydrophobicContact CD1-CD2 3.75Å; I257-L324 HydrophobicContact CD1-CG 4.14Å; I257-R327 HydrophobicContact CD1-CB 4.22Å
258P97.6Very high96.2Very high76 Ų7674.2 Ų74.249%0.49437%0.368SS..  trans-74.6139.8174.630.9-33.7000110.6R256 E272 R323R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.35Å; P258-E272 VanDerWaalsContact CA-OE1 3.28Å; P258-E272 WeakPolarHBondContact CA-OE1 3.43Å; P258-R323 PolarHBondContact O-NH1 2.65Å
259Y98.2Very high96.3Very high3 Ų375.3 Ų75.31%0.01237%0.365CS..  trans-123125.1175.2-174.7-96.5000111.7T262 N268 I271 A316 D319 V320Y259-T262 HydrophobicContact CE1-CG2 4.18Å; Y259-N268 HydrophobicContact CD1-CB 4.28Å; Y259-N268 WeakPolarHBondContact CE1-OD1 3.42Å; Y259-I271 HydrophobicContact CD1-CB 3.68Å; Y259-I271 HydrophobicContact CD1-CD1 4.03Å; Y259-I271 HydrophobicContact CD1-CG1 4.49Å; Y259-I271 HydrophobicContact CD1-CG2 3.53Å; Y259-I271 HydrophobicContact CD2-CG2 4.15Å; Y259-I271 HydrophobicContact CE1-CB 3.99Å; Y259-I271 HydrophobicContact CE1-CD1 3.42Å; Y259-I271 VanDerWaalsContact CE1-CD1 3.42Å; Y259-I271 HydrophobicContact CE1-CG1 4.32Å; Y259-I271 HydrophobicContact CE1-CG2 3.85Å; Y259-I271 HydrophobicContact CE2-CG2 4.41Å; Y259-I271 HydrophobicContact CG-CB 4.3Å; Y259-I271 HydrophobicContact CG-CG2 3.7Å; Y259-A316 VanDerWaalsContact OH-CA 3.24Å; Y259-A316 WeakPolarHBondContact OH-CA 3.07Å; Y259-A316 WeakPolarHBondContact OH-CB 3.46Å; Y259-D319 HydrophobicContact CE2-CB 4.07Å; Y259-V320 HydrophobicContact CD2-CG1 3.42Å; Y259-V320 VanDerWaalsContact CD2-CG1 3.42Å; Y259-V320 HydrophobicContact CE2-CG1 3.65Å; Y259-V320 HydrophobicContact CG-CG1 4.18Å
260R97.5Very high96.5Very high219 Ų21973.6 Ų73.683%0.82635%0.349SS*.  trans-145.334.3-179.4-62.7-171.5178.1-157.3-0.8111.2
261G96.3Very high96.7Very high43 Ų4370.7 Ų70.744%0.44332%0.319SS..  trans-74.4-29.4-174.300000113.3
262T96.5Very high96.9Very high18 Ų1867.7 Ų67.711%0.1131%0.309CS..SBendtrans-96.3162.4-179.381.90000112Y259 Y264 V267 N268 M312Y259-T262 HydrophobicContact CE1-CG2 4.18Å; T262-Y264 PolarHBondContact O-N 2.94Å; T262-Y264 PolarHBondContact OG1-N 2.88Å; T262-Y264 PolarHBondContact OG1-O 3.06Å; T262-Y264 VanDerWaalsContact OG1-O 3.09Å; T262-V267 HydrophobicContact CG2-CG1 3.99Å; T262-N268 WeakPolarHBondContact CB-OD1 3.49Å; T262-N268 PolarHBondContact N-OD1 3.45Å; T262-N268 PolarHBondContact O-ND2 2.9Å; T262-N268 VanDerWaalsContact OG1-CG 3.31Å; T262-N268 PolarHBondContact OG1-OD1 2.81Å; T262-M312 HydrophobicContact CG2-CG 3.53Å; T262-M312 HydrophobicContact CG2-SD 3.7Å
263R96.8Very high97Very high240 Ų24073.7 Ų73.791%0.90633%0.33SS*.SBendtrans-74.6-8.7172.7-61.2179.3-172-1270.4113.4P265R263-P265 WeakPolarHBondContact O-CD 3.37Å
264Y97.7Very high97.2Very high64 Ų6472.4 Ų72.425%0.25132%0.324SS..  trans-105.6105-174.1-58.3-80.2000109.8T262 E266 V267 N268 L302 L304 M312T262-Y264 PolarHBondContact O-N 2.94Å; T262-Y264 PolarHBondContact OG1-N 2.88Å; T262-Y264 PolarHBondContact OG1-O 3.06Å; T262-Y264 VanDerWaalsContact OG1-O 3.09Å; Y264-E266 PolarHBondContact O-N 3.25Å; Y264-E266 VanDerWaalsContact O-N 3.16Å; Y264-V267 PolarHBondContact O-N 3.25Å; Y264-N268 PolarHBondContact O-N 3Å; Y264-N268 PolarHBondContact O-ND2 2.9Å; Y264-L302 HydrophobicContact CD1-CD1 3.82Å; Y264-L302 HydrophobicContact CD1-CD2 4.26Å; Y264-L302 HydrophobicContact CE1-CD1 4.5Å; Y264-L302 HydrophobicContact CG-CD1 4.02Å; Y264-L304 HydrophobicContact CD2-CD1 4.3Å; Y264-L304 HydrophobicContact CE1-CD2 4.18Å; Y264-L304 HydrophobicContact CE2-CD1 4.02Å; Y264-L304 HydrophobicContact CE2-CD2 4.12Å; Y264-L304 VanDerWaalsContact OH-CD2 3.26Å; Y264-L304 WeakPolarHBondContact OH-CD2 3.39Å; Y264-M312 HydrophobicContact CD2-CE 3.61Å; Y264-M312 HydrophobicContact CD2-SD 4.06Å; Y264-M312 HydrophobicContact CE2-CE 3.53Å
265P97.9Very high97.3Very high73 Ų7369 Ų6947%0.47431%0.308SS..Hα-helixtrans-57.6-28-179.7-25.836000114.2R263 R269R263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-R269 WeakPolarHBondContact O-CB 3.24Å; P265-R269 VanDerWaalsContact O-CG 3.3Å; P265-R269 WeakPolarHBondContact O-CG 3.45Å; P265-R269 PolarHBondContact O-N 3.45Å; P265-R269 PolarHBondContact O-NE 2.62Å
266E97.4Very high97.4Very high45 Ų4565 Ų6521%0.2129%0.29CS..Hα-helixtrans-63.9-50.5177.3-60.268.9-143.700110.8Y264 R269 R270 H300Y264-E266 PolarHBondContact O-N 3.25Å; Y264-E266 VanDerWaalsContact O-N 3.16Å; E266-R269 PolarHBondContact O-N 3.29Å; E266-R269 IonicContact OE1-NH2 2.7Å; E266-R270 PolarHBondContact O-N 3.04Å; E266-R270 VanDerWaalsContact O-N 3.16Å; E266-H300 HydrophobicContact CB-CB 4.39Å; E266-H300 HydrophobicContact CG-CB 4.02Å
267V97.9Very high97.3Very high0 Ų063.8 Ų63.80%029%0.289CS..Hα-helixtrans-63.1-45.6176.1176.90000109.9T262 Y264 R269 R270 I271 V293 A296 L302 M312T262-V267 HydrophobicContact CG2-CG1 3.99Å; Y264-V267 PolarHBondContact O-N 3.25Å; V267-R269 VanDerWaalsContact C-N 3.31Å; V267-R269 PolarHBondContact O-N 3.09Å; V267-R270 PolarHBondContact O-N 3.27Å; V267-R270 VanDerWaalsContact O-N 3.11Å; V267-I271 HydrophobicContact CG1-CD1 3.64Å; V267-I271 HydrophobicContact CG1-CG1 4.4Å; V267-I271 WeakPolarHBondContact O-CG1 3.44Å; V267-I271 PolarHBondContact O-N 2.75Å; V267-V293 HydrophobicContact CG1-CB 4.38Å; V267-V293 HydrophobicContact CG1-CG1 4.38Å; V267-V293 HydrophobicContact CG1-CG2 3.79Å; V267-A296 HydrophobicContact CB-CB 4.45Å; V267-A296 HydrophobicContact CG2-CB 3.97Å; V267-L302 HydrophobicContact CG2-CD1 4.08Å; V267-M312 HydrophobicContact CG1-SD 4.11Å; V267-M312 HydrophobicContact CG2-SD 4.44Å
268N98.2Very high96.8Very high15 Ų1569.2 Ų69.28%0.0833%0.325CS..Hα-helixtrans-56.6-44.6178.1-70.1-26.8000112Y259 T262 Y264 R270 I271 E272Y259-N268 HydrophobicContact CD1-CB 4.28Å; Y259-N268 WeakPolarHBondContact CE1-OD1 3.42Å; T262-N268 WeakPolarHBondContact CB-OD1 3.49Å; T262-N268 PolarHBondContact N-OD1 3.45Å; T262-N268 PolarHBondContact O-ND2 2.9Å; T262-N268 VanDerWaalsContact OG1-CG 3.31Å; T262-N268 PolarHBondContact OG1-OD1 2.81Å; Y264-N268 PolarHBondContact O-N 3Å; Y264-N268 PolarHBondContact O-ND2 2.9Å; N268-R270 PolarHBondContact O-N 2.61Å; N268-I271 PolarHBondContact O-N 3.2Å; N268-E272 WeakPolarHBondContact O-CB 3.4Å; N268-E272 PolarHBondContact O-N 3.28Å
269R98.1Very high95.9Very high134 Ų13467.9 Ų67.951%0.50633%0.325SS..Hα-helixtrans-65.6-34177.4-78.1-178.7-75.1179-3.2113.3P265 E266 V267 R273P265-R269 WeakPolarHBondContact O-CB 3.24Å; P265-R269 VanDerWaalsContact O-CG 3.3Å; P265-R269 WeakPolarHBondContact O-CG 3.45Å; P265-R269 PolarHBondContact O-N 3.45Å; P265-R269 PolarHBondContact O-NE 2.62Å; E266-R269 PolarHBondContact O-N 3.29Å; E266-R269 IonicContact OE1-NH2 2.7Å; V267-R269 VanDerWaalsContact C-N 3.31Å; V267-R269 PolarHBondContact O-N 3.09Å; R269-R273 WeakPolarHBondContact O-CG 3.48Å; R269-R273 PolarHBondContact O-N 2.86Å; R269-R273 PolarHBondContact O-NE 2.95Å
270R97.5Very high95.3Very high47 Ų4772.2 Ų72.218%0.17735%0.354CS..Hα-helixtrans-71.8-45.1176.8-166.981.3-169.1-146.416.2110.7E266 V267 N268 R273 L274 A292 A296 E449E266-R270 PolarHBondContact O-N 3.04Å; E266-R270 VanDerWaalsContact O-N 3.16Å; V267-R270 PolarHBondContact O-N 3.27Å; V267-R270 VanDerWaalsContact O-N 3.11Å; N268-R270 PolarHBondContact O-N 2.61Å; R270-R273 PolarHBondContact O-N 3.41Å; R270-L274 PolarHBondContact O-N 2.81Å; R270-A292 HydrophobicContact CG-CB 3.93Å; R270-A296 HydrophobicContact CB-CB 4.13Å; R270-E449 IonicContact NH2-OE1 3.47Å; R270-E449 IonicContact NH2-OE2 2.62Å; R270-E449 PolarHBondContact NH2-OE2 2.97Å
271I98.2Very high94.8Very high0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-63.6-43.4176.3-65.7164.8000110.9Y259 V267 N268 R273 L274 I275 V293 A316 V320Y259-I271 HydrophobicContact CD1-CB 3.68Å; Y259-I271 HydrophobicContact CD1-CD1 4.03Å; Y259-I271 HydrophobicContact CD1-CG1 4.49Å; Y259-I271 HydrophobicContact CD1-CG2 3.53Å; Y259-I271 HydrophobicContact CD2-CG2 4.15Å; Y259-I271 HydrophobicContact CE1-CB 3.99Å; Y259-I271 HydrophobicContact CE1-CD1 3.42Å; Y259-I271 VanDerWaalsContact CE1-CD1 3.42Å; Y259-I271 HydrophobicContact CE1-CG1 4.32Å; Y259-I271 HydrophobicContact CE1-CG2 3.85Å; Y259-I271 HydrophobicContact CE2-CG2 4.41Å; Y259-I271 HydrophobicContact CG-CB 4.3Å; Y259-I271 HydrophobicContact CG-CG2 3.7Å; V267-I271 HydrophobicContact CG1-CD1 3.64Å; V267-I271 HydrophobicContact CG1-CG1 4.4Å; V267-I271 WeakPolarHBondContact O-CG1 3.44Å; V267-I271 PolarHBondContact O-N 2.75Å; N268-I271 PolarHBondContact O-N 3.2Å; I271-R273 VanDerWaalsContact C-N 3.26Å; I271-R273 PolarHBondContact O-N 3.31Å; I271-L274 WeakPolarHBondContact O-CB 3.39Å; I271-L274 PolarHBondContact O-N 3.48Å; I271-L274 VanDerWaalsContact O-N 3.13Å; I271-I275 HydrophobicContact CG2-CG2 4.44Å; I271-I275 WeakPolarHBondContact O-CG1 3.41Å; I271-I275 PolarHBondContact O-N 2.97Å; I271-I275 VanDerWaalsContact O-N 3.08Å; I271-V293 HydrophobicContact CD1-CG2 3.95Å; I271-V293 HydrophobicContact CG1-CG2 4.49Å; I271-A316 HydrophobicContact CD1-CB 3.82Å; I271-V320 HydrophobicContact CG2-CG1 3.69Å
272E98Very high94.6Very high24 Ų2467.7 Ų67.711%0.11234%0.337CS..Hα-helixtrans-62.7-32.6178.2-164.8-178.3-158.500112.3R256 P258 N268 N276R256-E272 IonicContact CZ-OE1 2.95Å; R256-E272 IonicContact CZ-OE2 3.68Å; R256-E272 IonicContact NH1-OE1 2.88Å; R256-E272 PolarHBondContact NH1-OE1 3.29Å; R256-E272 IonicContact NH1-OE2 2.65Å; R256-E272 VanDerWaalsContact NH2-CG 3.31Å; R256-E272 IonicContact NH2-OE1 3.5Å; R256-E272 PolarHBondContact NH2-OE1 3.14Å; R256-E272 IonicContact NH2-OE2 2.6Å; R256-E272 PolarHBondContact NH2-OE2 3.33Å; P258-E272 VanDerWaalsContact CA-OE1 3.28Å; P258-E272 WeakPolarHBondContact CA-OE1 3.43Å; N268-E272 WeakPolarHBondContact O-CB 3.4Å; N268-E272 PolarHBondContact O-N 3.28Å; E272-N276 WeakPolarHBondContact O-CB 3.32Å; E272-N276 PolarHBondContact O-ND2 3.29Å
273R97.4Very high94.6Very high136 Ų13670.9 Ų70.951%0.51335%0.349SS..Hα-helixtrans-70.3-44.4171.4-78176.7-75.5143.2-12.2111.8R269 R270 I271 I275 N276 K277R269-R273 WeakPolarHBondContact O-CG 3.48Å; R269-R273 PolarHBondContact O-N 2.86Å; R269-R273 PolarHBondContact O-NE 2.95Å; R270-R273 PolarHBondContact O-N 3.41Å; I271-R273 VanDerWaalsContact C-N 3.26Å; I271-R273 PolarHBondContact O-N 3.31Å; R273-I275 PolarHBondContact O-N 2.91Å; R273-N276 PolarHBondContact O-N 3.02Å; R273-K277 PolarHBondContact O-N 2.82Å
274L97Very high94.6Very high27 Ų2759.7 Ų59.714%0.14131%0.308CS..Hα-helixtrans-56.1-47.3-179.5177.664.5000112.5R270 I271 N276 T282 P284 D288 V289 A292R270-L274 PolarHBondContact O-N 2.81Å; I271-L274 WeakPolarHBondContact O-CB 3.39Å; I271-L274 PolarHBondContact O-N 3.48Å; I271-L274 VanDerWaalsContact O-N 3.13Å; L274-N276 VanDerWaalsContact C-N 3.32Å; L274-N276 PolarHBondContact O-N 2.94Å; L274-T282 WeakPolarHBondContact O-CG2 3.27Å; L274-P284 HydrophobicContact CD1-CB 4.43Å; L274-P284 HydrophobicContact CD2-CB 3.85Å; L274-P284 HydrophobicContact CD2-CG 4.28Å; L274-P284 HydrophobicContact CG-CB 4.06Å; L274-P284 HydrophobicContact CG-CG 4.38Å; L274-D288 HydrophobicContact CD2-CB 4.15Å; L274-V289 HydrophobicContact CD2-CG2 4.18Å; L274-A292 HydrophobicContact CD2-CB 4.1Å
275I97.3Very high94.6Very high0 Ų061 Ų610%032%0.319CS..THydrogen-bonded Turntrans-81.4-10.4-174.669-179.8000114I257 I271 R273 P284 V320 L324I257-I275 HydrophobicContact CB-CD1 3.98Å; I257-I275 HydrophobicContact CG2-CD1 3.81Å; I271-I275 HydrophobicContact CG2-CG2 4.44Å; I271-I275 WeakPolarHBondContact O-CG1 3.41Å; I271-I275 PolarHBondContact O-N 2.97Å; I271-I275 VanDerWaalsContact O-N 3.08Å; R273-I275 PolarHBondContact O-N 2.91Å; I275-P284 HydrophobicContact CG2-CG 4.1Å; I275-V320 HydrophobicContact CD1-CB 4.39Å; I275-V320 HydrophobicContact CD1-CG1 3.97Å; I275-V320 HydrophobicContact CG2-CB 3.91Å; I275-V320 HydrophobicContact CG2-CG1 4.04Å; I275-V320 HydrophobicContact CG2-CG2 4.12Å; I275-L324 HydrophobicContact CB-CD1 4.37Å; I275-L324 HydrophobicContact CB-CD2 4.46Å; I275-L324 HydrophobicContact CG2-CD1 4.27Å
276N96.9Very high94.6Very high36 Ų3660.9 Ų60.919%0.19331%0.309CS..THydrogen-bonded Turntrans-115.320.8-179.7-65.9-64.2000112.3R256 I257 E272 R273 L274 R327R256-N276 WeakPolarHBondContact CA-OD1 3.37Å; R256-N276 HydrophobicContact CG-CB 4.28Å; I257-N276 PolarHBondContact N-OD1 2.94Å; I257-N276 PolarHBondContact O-ND2 3.03Å; E272-N276 WeakPolarHBondContact O-CB 3.32Å; E272-N276 PolarHBondContact O-ND2 3.29Å; R273-N276 PolarHBondContact O-N 3.02Å; L274-N276 VanDerWaalsContact C-N 3.32Å; L274-N276 PolarHBondContact O-N 2.94Å; N276-R327 PolarHBondContact OD1-NH1 3.21Å
277K93.8Very high94.7Very high125 Ų12560.1 Ų60.154%0.54331%0.314SS..  trans-57138.8167.5-70.9-175.8172.4-162.60109.6R273 T282R273-K277 PolarHBondContact O-N 2.82Å; K277-T282 HydrophobicContact CB-CG2 3.84Å; K277-T282 PolarHBondContact O-OG1 3.09Å
278P87Confident94.7Very high129 Ų12962 Ų6284%0.83832%0.324SS*.SBendtrans-61.9141.3178.427.7-34000110.2
279G79.1Confident94.7Very high48 Ų4861.3 Ų61.350%0.49532%0.321SS..SBendtrans122.6156.7176.300000114.4D281G279-D281 VanDerWaalsContact C-N 3.32Å
280P83.8Confident94.7Very high94 Ų9456 Ų5661%0.6130%0.302SS*.THydrogen-bonded Turntrans-73.8-22.9179.830.2-33.9000113.2T282P280-T282 VanDerWaalsContact C-N 3.35Å; P280-T282 PolarHBondContact O-N 2.96Å
281D88.9Confident94.7Very high142 Ų14259.5 Ų59.576%0.75932%0.315SS*.THydrogen-bonded Turntrans-904.6-172.3-57.4-58.6000114G279 F283G279-D281 VanDerWaalsContact C-N 3.32Å; D281-F283 PolarHBondContact O-N 3.42Å
282T92.2Very high94.7Very high25 Ų2559.9 Ų59.915%0.15332%0.318CS..  trans-70.888.6179.3-55.80000111.2L274 K277 P280L274-T282 WeakPolarHBondContact O-CG2 3.27Å; K277-T282 HydrophobicContact CB-CG2 3.84Å; K277-T282 PolarHBondContact O-OG1 3.09Å; P280-T282 VanDerWaalsContact C-N 3.35Å; P280-T282 PolarHBondContact O-N 2.96Å
283F96.1Very high94.7Very high84 Ų8458.7 Ų58.737%0.36831%0.313SS..  trans-140.198.2170.6-161.3-77000109.3D281 L324 Q325D281-F283 PolarHBondContact O-N 3.42Å; F283-L324 HydrophobicContact CD2-CB 3.95Å; F283-L324 HydrophobicContact CD2-CD1 4.23Å; F283-L324 HydrophobicContact CE2-CB 3.76Å; F283-L324 HydrophobicContact CE2-CD1 4.43Å; F283-Q325 HydrophobicContact CE2-CG 4.04Å; F283-Q325 HydrophobicContact CZ-CG 4.27Å
284P97.1Very high94.7Very high5 Ų555.4 Ų55.43%0.03230%0.303CS..  trans-69.6148.5-174.929.9-34.6000111.2L274 I275 D288 V289 F317 L324L274-P284 HydrophobicContact CD1-CB 4.43Å; L274-P284 HydrophobicContact CD2-CB 3.85Å; L274-P284 HydrophobicContact CD2-CG 4.28Å; L274-P284 HydrophobicContact CG-CB 4.06Å; L274-P284 HydrophobicContact CG-CG 4.38Å; I275-P284 HydrophobicContact CG2-CG 4.1Å; P284-D288 WeakPolarHBondContact CA-OD2 3.36Å; P284-D288 HydrophobicContact CB-CB 3.72Å; P284-V289 HydrophobicContact CB-CG2 4.21Å; P284-V289 HydrophobicContact CG-CG2 4.18Å; P284-F317 WeakPolarHBondContact O-CE2 3.48Å; P284-L324 HydrophobicContact CG-CD1 4.32Å
285D97.3Very high94.7Very high91 Ų9157.6 Ų57.649%0.48731%0.311SS..  trans-82.5179.51677713000111.6G287 D288 V289 F317D285-G287 VanDerWaalsContact C-N 3.28Å; D285-G287 PolarHBondContact O-N 2.89Å; D285-G287 WeakPolarHBondContact OD1-CA 3.4Å; D285-G287 PolarHBondContact OD1-N 2.98Å; D285-D288 PolarHBondContact N-OD2 3.03Å; D285-D288 PolarHBondContact O-N 3.31Å; D285-D288 VanDerWaalsContact OD1-CG 3.26Å; D285-D288 PolarHBondContact OD1-N 2.92Å; D285-V289 PolarHBondContact O-N 3.47Å; D285-F317 VanDerWaalsContact C-CE2 3.47Å
286Y98.3Very high94.7Very high71 Ų7157.8 Ų57.828%0.27831%0.313SS..Hα-helixtrans-62.4-36.8175.5169.1-110.9000112.4V289 L290 A313 Q314 F317Y286-V289 PolarHBondContact O-N 3.35Å; Y286-L290 HydrophobicContact CE1-CD2 4.18Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 2.91Å; Y286-A313 HydrophobicContact CE2-CB 4.08Å; Y286-Q314 HydrophobicContact CD2-CG 4.32Å; Y286-Q314 HydrophobicContact CE2-CB 4.34Å; Y286-Q314 HydrophobicContact CE2-CG 3.48Å; Y286-Q314 VanDerWaalsContact CE2-CG 3.48Å; Y286-F317 HydrophobicContact CD2-CB 4.22Å; Y286-F317 HydrophobicContact CD2-CD1 4.29Å; Y286-F317 HydrophobicContact CD2-CG 4.29Å
287G98Very high94.8Very high30 Ų3056.4 Ų56.431%0.30931%0.307SS..Hα-helixtrans-65.4-37.1179.700000112.7D285 L290 R291D285-G287 VanDerWaalsContact C-N 3.28Å; D285-G287 PolarHBondContact O-N 2.89Å; D285-G287 WeakPolarHBondContact OD1-CA 3.4Å; D285-G287 PolarHBondContact OD1-N 2.98Å; G287-L290 PolarHBondContact O-N 3.11Å; G287-R291 WeakPolarHBondContact O-CB 3.45Å; G287-R291 PolarHBondContact O-N 2.93Å
288D97.9Very high94.9Very high40 Ų4054 Ų5421%0.21431%0.31CS..Hα-helixtrans-64.3-45.5174.9-64.7-33.1000111.7L274 P284 D285 R291 A292L274-D288 HydrophobicContact CD2-CB 4.15Å; P284-D288 WeakPolarHBondContact CA-OD2 3.36Å; P284-D288 HydrophobicContact CB-CB 3.72Å; D285-D288 PolarHBondContact N-OD2 3.03Å; D285-D288 PolarHBondContact O-N 3.31Å; D285-D288 VanDerWaalsContact OD1-CG 3.26Å; D285-D288 PolarHBondContact OD1-N 2.92Å; D288-R291 PolarHBondContact O-N 3.4Å; D288-R291 IonicContact OD1-CZ 3.92Å; D288-R291 VanDerWaalsContact OD1-CZ 3.27Å; D288-R291 IonicContact OD1-NH1 3.29Å; D288-R291 PolarHBondContact OD1-NH1 3.41Å; D288-R291 IonicContact OD1-NH2 3.38Å; D288-R291 PolarHBondContact OD1-NH2 2.99Å; D288-A292 WeakPolarHBondContact O-CB 3.44Å; D288-A292 PolarHBondContact O-N 2.89Å
289V98.4Very high95.4Very high0 Ų054.9 Ų54.90%030%0.297CS..Hα-helixtrans-67.5-42.7177.1179.30000110.7L274 P284 D285 Y286 A292 V293 A313 A316 F317 V320L274-V289 HydrophobicContact CD2-CG2 4.18Å; P284-V289 HydrophobicContact CB-CG2 4.21Å; P284-V289 HydrophobicContact CG-CG2 4.18Å; D285-V289 PolarHBondContact O-N 3.47Å; Y286-V289 PolarHBondContact O-N 3.35Å; V289-A292 PolarHBondContact O-N 3.41Å; V289-V293 VanDerWaalsContact O-CG2 3.26Å; V289-V293 WeakPolarHBondContact O-CG2 3.46Å; V289-V293 PolarHBondContact O-N 3.39Å; V289-A313 HydrophobicContact CG1-CB 4.49Å; V289-A316 HydrophobicContact CG1-CB 3.81Å; V289-F317 HydrophobicContact CB-CB 4.24Å; V289-F317 HydrophobicContact CG1-CB 4.21Å; V289-F317 HydrophobicContact CG2-CB 4.25Å; V289-F317 HydrophobicContact CG2-CD2 3.96Å; V289-V320 HydrophobicContact CG2-CG2 4.35Å
290L98.4Very high96.3Very high22 Ų2256.7 Ų56.712%0.11529%0.292CS..Hα-helixtrans-60.3-48.2175.3179.361.5000111.3Y286 G287 A292 V293 E294 Q310 A313Y286-L290 HydrophobicContact CE1-CD2 4.18Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 2.91Å; G287-L290 PolarHBondContact O-N 3.11Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 2.75Å; L290-V293 PolarHBondContact O-N 3.41Å; L290-V293 VanDerWaalsContact O-N 3.12Å; L290-E294 HydrophobicContact CD1-CG 4.12Å; L290-E294 HydrophobicContact CG-CG 4.39Å; L290-E294 WeakPolarHBondContact O-CB 3.3Å; L290-E294 WeakPolarHBondContact O-CG 3.49Å; L290-E294 PolarHBondContact O-N 2.86Å; L290-Q310 HydrophobicContact CD1-CG 4.13Å; L290-A313 HydrophobicContact CB-CB 4.01Å; L290-A313 HydrophobicContact CD1-CB 3.68Å; L290-A313 HydrophobicContact CG-CB 4.48Å
291R98Very high96.8Very high121 Ų12157.4 Ų57.446%0.45730%0.299SS..Hα-helixtrans-59.7-40.2176.6-174.4169.670.8-100.43.7111.7G287 D288 E294 K295G287-R291 WeakPolarHBondContact O-CB 3.45Å; G287-R291 PolarHBondContact O-N 2.93Å; D288-R291 PolarHBondContact O-N 3.4Å; D288-R291 IonicContact OD1-CZ 3.92Å; D288-R291 VanDerWaalsContact OD1-CZ 3.27Å; D288-R291 IonicContact OD1-NH1 3.29Å; D288-R291 PolarHBondContact OD1-NH1 3.41Å; D288-R291 IonicContact OD1-NH2 3.38Å; D288-R291 PolarHBondContact OD1-NH2 2.99Å; R291-E294 PolarHBondContact O-N 3.16Å; R291-K295 HydrophobicContact CG-CG 4.4Å; R291-K295 VanDerWaalsContact O-CB 3.31Å; R291-K295 WeakPolarHBondContact O-CB 3.34Å; R291-K295 WeakPolarHBondContact O-CG 3.27Å; R291-K295 PolarHBondContact O-N 3.29Å
292A97.8Very high97.1Very high7 Ų752.7 Ų52.76%0.05827%0.274CS..Hα-helixtrans-64.6-39.2175.400000112.6R270 L274 D288 V289 L290 A296R270-A292 HydrophobicContact CG-CB 3.93Å; L274-A292 HydrophobicContact CD2-CB 4.1Å; D288-A292 WeakPolarHBondContact O-CB 3.44Å; D288-A292 PolarHBondContact O-N 2.89Å; V289-A292 PolarHBondContact O-N 3.41Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 2.75Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 2.96Å; A292-A296 VanDerWaalsContact O-N 3.09Å
293V98.1Very high97.2Very high0 Ų055.1 Ų55.10%030%0.304CS..Hα-helixtrans-68.6-45.2176.3171.90000111V267 I271 V289 L290 A296 A297 L309 M312 A313V267-V293 HydrophobicContact CG1-CB 4.38Å; V267-V293 HydrophobicContact CG1-CG1 4.38Å; V267-V293 HydrophobicContact CG1-CG2 3.79Å; I271-V293 HydrophobicContact CD1-CG2 3.95Å; I271-V293 HydrophobicContact CG1-CG2 4.49Å; V289-V293 VanDerWaalsContact O-CG2 3.26Å; V289-V293 WeakPolarHBondContact O-CG2 3.46Å; V289-V293 PolarHBondContact O-N 3.39Å; L290-V293 PolarHBondContact O-N 3.41Å; L290-V293 VanDerWaalsContact O-N 3.12Å; V293-A296 PolarHBondContact O-N 3.36Å; V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 2.89Å; V293-L309 HydrophobicContact CG1-CB 4.36Å; V293-L309 HydrophobicContact CG1-CD2 3.72Å; V293-M312 HydrophobicContact CG1-SD 4.14Å; V293-A313 HydrophobicContact CB-CB 4.39Å; V293-A313 HydrophobicContact CG2-CB 4.13Å
294E97.7Very high97.1Very high67 Ų6752.3 Ų52.331%0.31329%0.293SS..Hα-helixtrans-64.1-51.1177.7-72.8176.1159.700111.6L290 R291 A296 A297 A298 L309L290-E294 HydrophobicContact CD1-CG 4.12Å; L290-E294 HydrophobicContact CG-CG 4.39Å; L290-E294 WeakPolarHBondContact O-CB 3.3Å; L290-E294 WeakPolarHBondContact O-CG 3.49Å; L290-E294 PolarHBondContact O-N 2.86Å; R291-E294 PolarHBondContact O-N 3.16Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.18Å; E294-A297 PolarHBondContact O-N 3.48Å; E294-A297 VanDerWaalsContact O-N 3.13Å; E294-A298 WeakPolarHBondContact O-CB 3.47Å; E294-A298 PolarHBondContact O-N 2.95Å; E294-L309 HydrophobicContact CG-CD1 4.26Å
295K97.4Very high97.1Very high72 Ų7255.6 Ų55.631%0.31331%0.314SS..Hα-helixtrans-57.5-41.5175.9-75.4-163.8178.7-161.40111.4R291 R299 E449R291-K295 HydrophobicContact CG-CG 4.4Å; R291-K295 VanDerWaalsContact O-CB 3.31Å; R291-K295 WeakPolarHBondContact O-CB 3.34Å; R291-K295 WeakPolarHBondContact O-CG 3.27Å; R291-K295 PolarHBondContact O-N 3.29Å; K295-R299 WeakPolarHBondContact O-CB 3.47Å; K295-R299 PolarHBondContact O-N 3.08Å; K295-E449 IonicContact NZ-OE1 2.74Å; K295-E449 PolarHBondContact NZ-OE1 2.95Å
296A97.5Very high97Very high4 Ų459.2 Ų59.23%0.03332%0.321CS..Hα-helixtrans-68.4-38.4177.500000112.7V267 R270 A292 V293 E294 H300V267-A296 HydrophobicContact CB-CB 4.45Å; V267-A296 HydrophobicContact CG2-CB 3.97Å; R270-A296 HydrophobicContact CB-CB 4.13Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 2.96Å; A292-A296 VanDerWaalsContact O-N 3.09Å; V293-A296 PolarHBondContact O-N 3.36Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.18Å; A296-H300 WeakPolarHBondContact O-CB 3.45Å; A296-H300 PolarHBondContact O-CD2 2.91Å; A296-H300 PolarHBondContact O-N 3.23Å
297A97.3Very high97Very high8 Ų863.2 Ų63.27%0.06634%0.342CS..Hα-helixtrans-69.9-39.1178.300000112.8V293 E294 S301 L302 L304 L309V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 2.89Å; E294-A297 PolarHBondContact O-N 3.48Å; E294-A297 VanDerWaalsContact O-N 3.13Å; A297-S301 PolarHBondContact O-N 3.12Å; A297-S301 VanDerWaalsContact O-N 3.08Å; A297-L302 HydrophobicContact CB-CB 4.46Å; A297-L302 HydrophobicContact CB-CD1 4.45Å; A297-L302 PolarHBondContact O-N 3.23Å; A297-L304 HydrophobicContact CB-CD1 4.31Å; A297-L309 HydrophobicContact CB-CD2 3.55Å
298A96.9Very high96.9Very high75 Ų7565.5 Ų65.562%0.6235%0.345SS*.Hα-helixtrans-66.9-52.9175.700000111.2E294 H300 S301E294-A298 WeakPolarHBondContact O-CB 3.47Å; E294-A298 PolarHBondContact O-N 2.95Å; A298-H300 PolarHBondContact O-N 3.37Å; A298-S301 PolarHBondContact O-N 3.24Å; A298-S301 VanDerWaalsContact O-N 3.1Å
299R97.4Very high96.9Very high146 Ų14664.5 Ų64.555%0.55134%0.339SS*.Hα-helixtrans-58.6-32.9-179.1-176.4172-178.3124.2-0.6113.7K295 E446K295-R299 WeakPolarHBondContact O-CB 3.47Å; K295-R299 PolarHBondContact O-N 3.08Å; R299-E446 IonicContact CZ-OE1 3.81Å; R299-E446 IonicContact CZ-OE2 3.86Å; R299-E446 IonicContact NH1-OE1 2.9Å; R299-E446 PolarHBondContact NH1-OE1 3.14Å; R299-E446 IonicContact NH1-OE2 3.93Å; R299-E446 PolarHBondContact NH1-OE2 3.36Å; R299-E446 IonicContact NH2-OE2 3.95Å
300H97Very high96.8Very high87 Ų8766.8 Ų66.840%0.40335%0.35SS..THydrogen-bonded Turntrans-10511.2-178.8-67.2-77.3000113.8E266 A296 A298 L302E266-H300 HydrophobicContact CB-CB 4.39Å; E266-H300 HydrophobicContact CG-CB 4.02Å; A296-H300 WeakPolarHBondContact O-CB 3.45Å; A296-H300 PolarHBondContact O-CD2 2.91Å; A296-H300 PolarHBondContact O-N 3.23Å; A298-H300 PolarHBondContact O-N 3.37Å; H300-L302 VanDerWaalsContact C-N 3.25Å; H300-L302 HydrophobicContact CB-CD2 4.08Å; H300-L302 HydrophobicContact CB-CG 4.08Å; H300-L302 PolarHBondContact O-N 2.89Å; H300-L302 VanDerWaalsContact O-N 3.16Å
301S95.7Very high96.8Very high108 Ų10870.8 Ų70.876%0.75537%0.371SS*.THydrogen-bonded Turntrans4844.7176.2-54.20000113.6A297 A298 G303A297-S301 PolarHBondContact O-N 3.12Å; A297-S301 VanDerWaalsContact O-N 3.08Å; A298-S301 PolarHBondContact O-N 3.24Å; A298-S301 VanDerWaalsContact O-N 3.1Å; S301-G303 PolarHBondContact O-N 2.91Å
302L94.7Very high96.8Very high44 Ų4466.2 Ų66.223%0.2336%0.355CS..  trans-72.9-10.5-173.5-62-176.7000113.7Y264 V267 A297 H300 L304Y264-L302 HydrophobicContact CD1-CD1 3.82Å; Y264-L302 HydrophobicContact CD1-CD2 4.26Å; Y264-L302 HydrophobicContact CE1-CD1 4.5Å; Y264-L302 HydrophobicContact CG-CD1 4.02Å; V267-L302 HydrophobicContact CG2-CD1 4.08Å; A297-L302 HydrophobicContact CB-CB 4.46Å; A297-L302 HydrophobicContact CB-CD1 4.45Å; A297-L302 PolarHBondContact O-N 3.23Å; H300-L302 VanDerWaalsContact C-N 3.25Å; H300-L302 HydrophobicContact CB-CD2 4.08Å; H300-L302 HydrophobicContact CB-CG 4.08Å; H300-L302 PolarHBondContact O-N 2.89Å; H300-L302 VanDerWaalsContact O-N 3.16Å; L302-L304 VanDerWaalsContact C-N 3.26Å; L302-L304 HydrophobicContact CB-CD1 4.06Å; L302-L304 HydrophobicContact CB-CD2 4.41Å; L302-L304 HydrophobicContact CB-CG 3.79Å; L302-L304 HydrophobicContact CD1-CD1 4.18Å; L302-L304 PolarHBondContact O-N 3.39Å
303G94.2Very high96.8Very high76 Ų7665.9 Ų65.978%0.78435%0.352SS*.  trans63.428.3175.800000114.2S301S301-G303 PolarHBondContact O-N 2.91Å
304L94.5Very high96.8Very high24 Ų2470 Ų7013%0.12637%0.371CS..  trans-83131-175.3-56.1179.9000110.9Y264 A297 L302 L309 M312Y264-L304 HydrophobicContact CD2-CD1 4.3Å; Y264-L304 HydrophobicContact CE1-CD2 4.18Å; Y264-L304 HydrophobicContact CE2-CD1 4.02Å; Y264-L304 HydrophobicContact CE2-CD2 4.12Å; Y264-L304 VanDerWaalsContact OH-CD2 3.26Å; Y264-L304 WeakPolarHBondContact OH-CD2 3.39Å; A297-L304 HydrophobicContact CB-CD1 4.31Å; L302-L304 VanDerWaalsContact C-N 3.26Å; L302-L304 HydrophobicContact CB-CD1 4.06Å; L302-L304 HydrophobicContact CB-CD2 4.41Å; L302-L304 HydrophobicContact CB-CG 3.79Å; L302-L304 HydrophobicContact CD1-CD1 4.18Å; L302-L304 PolarHBondContact O-N 3.39Å; L304-L309 HydrophobicContact CB-CD1 4.5Å; L304-L309 HydrophobicContact CB-CD2 3.7Å; L304-L309 HydrophobicContact CB-CG 3.91Å; L304-L309 HydrophobicContact CD1-CD2 3.71Å; L304-L309 HydrophobicContact CG-CD2 4.32Å; L304-M312 HydrophobicContact CD1-CE 3.78Å
305P96.2Very high96.8Very high74 Ų7470.7 Ų70.748%0.48138%0.377SS..  trans-68.1148.317628.4-33.3000110.8Q307 Q308 L309P305-Q307 VanDerWaalsContact C-N 3.27Å; P305-Q307 PolarHBondContact O-N 3.24Å; P305-Q307 VanDerWaalsContact O-N 3.13Å; P305-Q308 VanDerWaalsContact CD-OE1 3.31Å; P305-Q308 HydrophobicContact CG-CB 3.71Å; P305-Q308 WeakPolarHBondContact O-CA 3.4Å; P305-Q308 WeakPolarHBondContact O-CB 3.42Å; P305-Q308 PolarHBondContact O-N 2.88Å; P305-L309 PolarHBondContact O-N 3.12Å
306R96.5Very high96.9Very high167 Ų16767.2 Ų67.263%0.6336%0.362SS*.Hα-helixtrans-49.3-42.7-179178.5178.2152.491.9-4.8114Q308 L309 Q310R306-Q308 VanDerWaalsContact C-N 3.31Å; R306-Q308 PolarHBondContact O-N 3.18Å; R306-L309 PolarHBondContact O-N 3.01Å; R306-Q310 VanDerWaalsContact NH2-NE2 3.15Å; R306-Q310 WeakPolarHBondContact O-CG 3.06Å; R306-Q310 PolarHBondContact O-N 3.07Å
307Q96.7Very high96.9Very high155 Ų15570.2 Ų70.272%0.72438%0.375SS*.Hα-helixtrans-62.9-37.9178.2-69.5178.6-800112.4P305 Q310 L311P305-Q307 VanDerWaalsContact C-N 3.27Å; P305-Q307 PolarHBondContact O-N 3.24Å; P305-Q307 VanDerWaalsContact O-N 3.13Å; Q307-Q310 PolarHBondContact O-N 3.18Å; Q307-L311 WeakPolarHBondContact O-CG 3.39Å; Q307-L311 PolarHBondContact O-N 2.93Å
308Q96.6Very high97Very high79 Ų7977 Ų7737%0.36940%0.398SS..Hα-helixtrans-71.2-37.6177.1-175.5176.6-6.100111.4P305 R306 M312P305-Q308 VanDerWaalsContact CD-OE1 3.31Å; P305-Q308 HydrophobicContact CG-CB 3.71Å; P305-Q308 WeakPolarHBondContact O-CA 3.4Å; P305-Q308 WeakPolarHBondContact O-CB 3.42Å; P305-Q308 PolarHBondContact O-N 2.88Å; R306-Q308 VanDerWaalsContact C-N 3.31Å; R306-Q308 PolarHBondContact O-N 3.18Å; Q308-M312 WeakPolarHBondContact O-CB 3.28Å; Q308-M312 PolarHBondContact O-N 3.38Å
309L97.4Very high97Very high18 Ų1876.2 Ų76.29%0.09438%0.384CS..Hα-helixtrans-61.2-44.5172.8-66.9171.2000111.2V293 E294 A297 L304 P305 R306 M312 A313V293-L309 HydrophobicContact CG1-CB 4.36Å; V293-L309 HydrophobicContact CG1-CD2 3.72Å; E294-L309 HydrophobicContact CG-CD1 4.26Å; A297-L309 HydrophobicContact CB-CD2 3.55Å; L304-L309 HydrophobicContact CB-CD1 4.5Å; L304-L309 HydrophobicContact CB-CD2 3.7Å; L304-L309 HydrophobicContact CB-CG 3.91Å; L304-L309 HydrophobicContact CD1-CD2 3.71Å; L304-L309 HydrophobicContact CG-CD2 4.32Å; P305-L309 PolarHBondContact O-N 3.12Å; R306-L309 PolarHBondContact O-N 3.01Å; L309-M312 PolarHBondContact O-N 2.81Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.28Å; L309-A313 PolarHBondContact O-N 2.89Å
310Q97.9Very high97Very high49 Ų4969.3 Ų69.323%0.22936%0.358CS..Hα-helixtrans-64.4-46179-73.7178.6-21.400113.1L290 R306 Q307 A313 Q314L290-Q310 HydrophobicContact CD1-CG 4.13Å; R306-Q310 VanDerWaalsContact NH2-NE2 3.15Å; R306-Q310 WeakPolarHBondContact O-CG 3.06Å; R306-Q310 PolarHBondContact O-N 3.07Å; Q307-Q310 PolarHBondContact O-N 3.18Å; Q310-A313 PolarHBondContact O-N 3.34Å; Q310-Q314 VanDerWaalsContact O-CG 3.3Å; Q310-Q314 WeakPolarHBondContact O-CG 3.43Å; Q310-Q314 PolarHBondContact O-N 3.1Å
311L97.6Very high97Very high105 Ų10565.6 Ų65.655%0.5534%0.343SS..Hα-helixtrans-62.5-45.2175.7-74.8171.3000111.2Q307 A313 Q314 D315Q307-L311 WeakPolarHBondContact O-CG 3.39Å; Q307-L311 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact C-N 3.3Å; L311-A313 PolarHBondContact O-N 2.95Å; L311-Q314 PolarHBondContact O-N 3.29Å; L311-D315 PolarHBondContact O-N 3.02Å
312M97.5Very high97.1Very high25 Ų2565 Ų6512%0.12333%0.331CS..Hα-helixtrans-59.9-41.3176.6-172.4-175-48.400111.9T262 Y264 V267 V293 L304 Q308 L309 A316T262-M312 HydrophobicContact CG2-CG 3.53Å; T262-M312 HydrophobicContact CG2-SD 3.7Å; Y264-M312 HydrophobicContact CD2-CE 3.61Å; Y264-M312 HydrophobicContact CD2-SD 4.06Å; Y264-M312 HydrophobicContact CE2-CE 3.53Å; V267-M312 HydrophobicContact CG1-SD 4.11Å; V267-M312 HydrophobicContact CG2-SD 4.44Å; V293-M312 HydrophobicContact CG1-SD 4.14Å; L304-M312 HydrophobicContact CD1-CE 3.78Å; Q308-M312 WeakPolarHBondContact O-CB 3.28Å; Q308-M312 PolarHBondContact O-N 3.38Å; L309-M312 PolarHBondContact O-N 2.81Å; M312-A316 WeakPolarHBondContact O-CB 3.39Å; M312-A316 PolarHBondContact O-N 2.87Å
313A98.2Very high97.2Very high0 Ų067.2 Ų67.20%034%0.336CS..Hα-helixtrans-67.4-38176.500000112.6Y286 V289 L290 V293 L309 Q310 L311 A316 F317Y286-A313 HydrophobicContact CE2-CB 4.08Å; V289-A313 HydrophobicContact CG1-CB 4.49Å; L290-A313 HydrophobicContact CB-CB 4.01Å; L290-A313 HydrophobicContact CD1-CB 3.68Å; L290-A313 HydrophobicContact CG-CB 4.48Å; V293-A313 HydrophobicContact CB-CB 4.39Å; V293-A313 HydrophobicContact CG2-CB 4.13Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.28Å; L309-A313 PolarHBondContact O-N 2.89Å; Q310-A313 PolarHBondContact O-N 3.34Å; L311-A313 VanDerWaalsContact C-N 3.3Å; L311-A313 PolarHBondContact O-N 2.95Å; A313-A316 PolarHBondContact O-N 3.36Å; A313-F317 WeakPolarHBondContact O-CB 3.29Å; A313-F317 PolarHBondContact O-N 3.03Å
314Q98.2Very high97.4Very high87 Ų8763.7 Ų63.741%0.40730%0.299SS..Hα-helixtrans-65-46.4177-74.617213.900111.8Y286 Q310 L311 F317 R318Y286-Q314 HydrophobicContact CD2-CG 4.32Å; Y286-Q314 HydrophobicContact CE2-CB 4.34Å; Y286-Q314 HydrophobicContact CE2-CG 3.48Å; Y286-Q314 VanDerWaalsContact CE2-CG 3.48Å; Q310-Q314 VanDerWaalsContact O-CG 3.3Å; Q310-Q314 WeakPolarHBondContact O-CG 3.43Å; Q310-Q314 PolarHBondContact O-N 3.1Å; L311-Q314 PolarHBondContact O-N 3.29Å; Q314-F317 PolarHBondContact O-N 3.31Å; Q314-R318 PolarHBondContact O-N 3.47Å
315D98Very high97.5Very high81 Ų8168.2 Ų68.243%0.43332%0.32SS..Hα-helixtrans-65.1-43.3176.8-70.5-27.3000110.8L311 F317 R318 D319L311-D315 PolarHBondContact O-N 3.02Å; D315-F317 PolarHBondContact O-N 3.46Å; D315-R318 PolarHBondContact O-N 3.15Å; D315-R318 IonicContact OD1-NH1 3.58Å; D315-R318 PolarHBondContact OD1-NH1 3.41Å; D315-D319 WeakPolarHBondContact O-CB 3.03Å; D315-D319 PolarHBondContact O-N 3.18Å
316A98.3Very high97.5Very high0 Ų070.2 Ų70.20%032%0.323CS..Hα-helixtrans-59.3-45.1174.600000112.7Y259 I271 V289 M312 A313 D319 V320Y259-A316 VanDerWaalsContact OH-CA 3.24Å; Y259-A316 WeakPolarHBondContact OH-CA 3.07Å; Y259-A316 WeakPolarHBondContact OH-CB 3.46Å; I271-A316 HydrophobicContact CD1-CB 3.82Å; V289-A316 HydrophobicContact CG1-CB 3.81Å; M312-A316 WeakPolarHBondContact O-CB 3.39Å; M312-A316 PolarHBondContact O-N 2.87Å; A313-A316 PolarHBondContact O-N 3.36Å; A316-D319 PolarHBondContact O-N 2.85Å; A316-V320 WeakPolarHBondContact O-CG1 3.38Å; A316-V320 VanDerWaalsContact O-CG2 3.29Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.22Å
317F98.5Very high97.5Very high67 Ų6763.8 Ų63.829%0.29430%0.298SS..Hα-helixtrans-61.5-44.9179.4174.5-114.8000111.5P284 D285 Y286 V289 A313 Q314 D315 V320 G321P284-F317 WeakPolarHBondContact O-CE2 3.48Å; D285-F317 VanDerWaalsContact C-CE2 3.47Å; Y286-F317 HydrophobicContact CD2-CB 4.22Å; Y286-F317 HydrophobicContact CD2-CD1 4.29Å; Y286-F317 HydrophobicContact CD2-CG 4.29Å; V289-F317 HydrophobicContact CB-CB 4.24Å; V289-F317 HydrophobicContact CG1-CB 4.21Å; V289-F317 HydrophobicContact CG2-CB 4.25Å; V289-F317 HydrophobicContact CG2-CD2 3.96Å; A313-F317 WeakPolarHBondContact O-CB 3.29Å; A313-F317 PolarHBondContact O-N 3.03Å; Q314-F317 PolarHBondContact O-N 3.31Å; D315-F317 PolarHBondContact O-N 3.46Å; F317-V320 WeakPolarHBondContact O-CG2 3.4Å; F317-G321 PolarHBondContact O-N 3.33Å
318R98.1Very high97.4Very high150 Ų15062.9 Ų62.957%0.56629%0.289SS*.Hα-helixtrans-60.2-49.5174.8-170.3-171.6-61.4129.63.9111.4Q314 D315 V320 G321 I322Q314-R318 PolarHBondContact O-N 3.47Å; D315-R318 PolarHBondContact O-N 3.15Å; D315-R318 IonicContact OD1-NH1 3.58Å; D315-R318 PolarHBondContact OD1-NH1 3.41Å; R318-V320 PolarHBondContact O-N 3.32Å; R318-G321 PolarHBondContact O-N 3.34Å; R318-I322 HydrophobicContact CG-CD1 4.16Å; R318-I322 WeakPolarHBondContact O-CG1 3.33Å; R318-I322 PolarHBondContact O-N 3.33Å; R318-I322 VanDerWaalsContact O-N 3.16Å
319D97.7Very high97.4Very high59 Ų5963.2 Ų63.232%0.31629%0.29SS..Hα-helixtrans-61.3-45.2-177.7-79.4-2.6000112.7Y259 D315 A316 R323Y259-D319 HydrophobicContact CE2-CB 4.07Å; D315-D319 WeakPolarHBondContact O-CB 3.03Å; D315-D319 PolarHBondContact O-N 3.18Å; A316-D319 PolarHBondContact O-N 2.85Å; D319-R323 WeakPolarHBondContact O-CG 3.04Å; D319-R323 PolarHBondContact O-N 2.6Å
320V97.4Very high97.4Very high0 Ų064.7 Ų64.70%030%0.297CS..Hα-helixtrans-74.1-36.6-179.7-60.50000112Y259 I271 I275 V289 A316 F317 R318 I322 R323 L324Y259-V320 HydrophobicContact CD2-CG1 3.42Å; Y259-V320 VanDerWaalsContact CD2-CG1 3.42Å; Y259-V320 HydrophobicContact CE2-CG1 3.65Å; Y259-V320 HydrophobicContact CG-CG1 4.18Å; I271-V320 HydrophobicContact CG2-CG1 3.69Å; I275-V320 HydrophobicContact CD1-CB 4.39Å; I275-V320 HydrophobicContact CD1-CG1 3.97Å; I275-V320 HydrophobicContact CG2-CB 3.91Å; I275-V320 HydrophobicContact CG2-CG1 4.04Å; I275-V320 HydrophobicContact CG2-CG2 4.12Å; V289-V320 HydrophobicContact CG2-CG2 4.35Å; A316-V320 WeakPolarHBondContact O-CG1 3.38Å; A316-V320 VanDerWaalsContact O-CG2 3.29Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.22Å; F317-V320 WeakPolarHBondContact O-CG2 3.4Å; R318-V320 PolarHBondContact O-N 3.32Å; V320-I322 PolarHBondContact O-N 3.28Å; V320-R323 PolarHBondContact O-N 3.01Å; V320-L324 WeakPolarHBondContact O-CB 3.03Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.69Å
321G97.3Very high97.3Very high10 Ų1063 Ų6310%0.10329%0.29CS..Hα-helixtrans-58.7-47.617800000111.9F317 R318 R323 L324 Q325F317-G321 PolarHBondContact O-N 3.33Å; R318-G321 PolarHBondContact O-N 3.34Å; G321-R323 VanDerWaalsContact C-N 3.34Å; G321-R323 PolarHBondContact O-N 3.13Å; G321-L324 PolarHBondContact O-N 3.43Å; G321-Q325 WeakPolarHBondContact O-CG 3.43Å; G321-Q325 PolarHBondContact O-N 3.11Å
322I97.5Very high97.1Very high96 Ų9661.1 Ų61.149%0.49228%0.28SS..Hα-helixtrans-58.3-45.8176.5-67.2166.7000110.9R318 V320 L324 Q325 E326R318-I322 HydrophobicContact CG-CD1 4.16Å; R318-I322 WeakPolarHBondContact O-CG1 3.33Å; R318-I322 PolarHBondContact O-N 3.33Å; R318-I322 VanDerWaalsContact O-N 3.16Å; V320-I322 PolarHBondContact O-N 3.28Å; I322-L324 PolarHBondContact O-N 3.41Å; I322-Q325 PolarHBondContact O-N 3.46Å; I322-E326 WeakPolarHBondContact O-CB 3.34Å; I322-E326 PolarHBondContact O-N 3.45Å
323R97.6Very high97Very high89 Ų8963.9 Ų63.934%0.33630%0.295SS..Hα-helixtrans-67.9-35.7-179-67.3176.6-166.5-167.32.9112.8I257 P258 D319 V320 G321 R327I257-R323 HydrophobicContact CD1-CB 4.23Å; I257-R323 HydrophobicContact CG2-CB 3.95Å; I257-R323 HydrophobicContact CG2-CG 4.45Å; P258-R323 PolarHBondContact O-NH1 2.65Å; D319-R323 WeakPolarHBondContact O-CG 3.04Å; D319-R323 PolarHBondContact O-N 2.6Å; V320-R323 PolarHBondContact O-N 3.01Å; G321-R323 VanDerWaalsContact C-N 3.34Å; G321-R323 PolarHBondContact O-N 3.13Å; R323-R327 VanDerWaalsContact O-CB 3.3Å; R323-R327 WeakPolarHBondContact O-CB 3.46Å; R323-R327 PolarHBondContact O-N 3.24Å
324L97.2Very high96.9Very high3 Ų368.7 Ų68.72%0.01631%0.313CS..Hα-helixtrans-68-43.8176.3-75.6166.1000111.1I257 I275 F283 P284 V320 G321 I322 R327 R328I257-L324 HydrophobicContact CD1-CD2 3.75Å; I257-L324 HydrophobicContact CD1-CG 4.14Å; I275-L324 HydrophobicContact CB-CD1 4.37Å; I275-L324 HydrophobicContact CB-CD2 4.46Å; I275-L324 HydrophobicContact CG2-CD1 4.27Å; F283-L324 HydrophobicContact CD2-CB 3.95Å; F283-L324 HydrophobicContact CD2-CD1 4.23Å; F283-L324 HydrophobicContact CE2-CB 3.76Å; F283-L324 HydrophobicContact CE2-CD1 4.43Å; P284-L324 HydrophobicContact CG-CD1 4.32Å; V320-L324 WeakPolarHBondContact O-CB 3.03Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.69Å; G321-L324 PolarHBondContact O-N 3.43Å; I322-L324 PolarHBondContact O-N 3.41Å; L324-R327 VanDerWaalsContact CD2-NH2 3.28Å; L324-R327 PolarHBondContact O-N 2.78Å; L324-R328 WeakPolarHBondContact O-CG 3.46Å; L324-R328 PolarHBondContact O-N 2.94Å
325Q96.5Very high96.8Very high119 Ų11968.9 Ų68.956%0.55632%0.317SS*.Hα-helixtrans-61.5-48.5173.6-73.9-179.3-23.700111.4F283 G321 I322 R327 R328 H329F283-Q325 HydrophobicContact CE2-CG 4.04Å; F283-Q325 HydrophobicContact CZ-CG 4.27Å; G321-Q325 WeakPolarHBondContact O-CG 3.43Å; G321-Q325 PolarHBondContact O-N 3.11Å; I322-Q325 PolarHBondContact O-N 3.46Å; Q325-R327 VanDerWaalsContact C-N 3.33Å; Q325-R327 PolarHBondContact O-N 3.14Å; Q325-R328 PolarHBondContact O-N 2.97Å; Q325-H329 WeakPolarHBondContact O-CB 3.46Å; Q325-H329 PolarHBondContact O-N 3.34Å
326E96.7Very high96.6Very high116 Ų11670.5 Ų70.554%0.54232%0.321SS..Hα-helixtrans-57.6-44.8176.2-174.7-177-169.300111.4I322 R328 H329 L330I322-E326 WeakPolarHBondContact O-CB 3.34Å; I322-E326 PolarHBondContact O-N 3.45Å; E326-R328 PolarHBondContact O-N 3Å; E326-H329 PolarHBondContact O-N 3.43Å; E326-L330 HydrophobicContact CG-CD1 4.3Å; E326-L330 WeakPolarHBondContact O-CB 3.19Å; E326-L330 VanDerWaalsContact O-CG 3.3Å; E326-L330 WeakPolarHBondContact O-CG 3.46Å; E326-L330 PolarHBondContact O-N 2.85Å
327R96.5Very high96.5Very high31 Ų3172.9 Ų72.912%0.11735%0.345CS..Hα-helixtrans-60.8-43.8176.9-171.8178.767-178.8-2.2112V252 I253 Q255 I257 N276 R323 L324 Q325 D331V252-R327 HydrophobicContact CG1-CG 4.07Å; V252-R327 WeakPolarHBondContact O-CD 3.46Å; V252-R327 WeakPolarHBondContact O-CG 3.43Å; I253-R327 PolarHBondContact O-NH1 3.47Å; Q255-R327 PolarHBondContact O-NH1 3.46Å; Q255-R327 VanDerWaalsContact O-NH1 3.09Å; I257-R327 HydrophobicContact CD1-CB 4.22Å; N276-R327 PolarHBondContact OD1-NH1 3.21Å; R323-R327 VanDerWaalsContact O-CB 3.3Å; R323-R327 WeakPolarHBondContact O-CB 3.46Å; R323-R327 PolarHBondContact O-N 3.24Å; L324-R327 VanDerWaalsContact CD2-NH2 3.28Å; L324-R327 PolarHBondContact O-N 2.78Å; Q325-R327 VanDerWaalsContact C-N 3.33Å; Q325-R327 PolarHBondContact O-N 3.14Å; R327-D331 WeakPolarHBondContact O-CB 3.16Å; R327-D331 PolarHBondContact O-N 3.22Å
328R95.4Very high96.4Very high137 Ų13771.1 Ų71.152%0.51734%0.341SS..Hα-helixtrans-65.7-43.6177.2-74.1176.670.9131.7-1.4111.6L324 Q325 E326 D331 L332L324-R328 WeakPolarHBondContact O-CG 3.46Å; L324-R328 PolarHBondContact O-N 2.94Å; Q325-R328 PolarHBondContact O-N 2.97Å; E326-R328 PolarHBondContact O-N 3Å; R328-D331 WeakPolarHBondContact O-CB 3.37Å; R328-D331 PolarHBondContact O-N 3.14Å; R328-L332 PolarHBondContact O-N 3.42Å
329H96Very high96.4Very high86 Ų8665.7 Ų65.740%0.39832%0.322SS..Hα-helixtrans-60.8-47.3177178.672000111.6Q325 E326 D331 L332 I333Q325-H329 WeakPolarHBondContact O-CB 3.46Å; Q325-H329 PolarHBondContact O-N 3.34Å; E326-H329 PolarHBondContact O-N 3.43Å; H329-D331 VanDerWaalsContact C-N 3.31Å; H329-D331 PolarHBondContact O-N 3.28Å; H329-L332 WeakPolarHBondContact O-CB 3.24Å; H329-L332 PolarHBondContact O-N 2.94Å; H329-I333 WeakPolarHBondContact O-CG1 3.47Å; H329-I333 PolarHBondContact O-N 2.94Å
330L96.8Very high96.4Very high48 Ų4867.7 Ų67.725%0.25133%0.332SS..Hα-helixtrans-61.4-39.7175.7-71.6179.3000112.2V252 E326 I333 Y334V252-L330 HydrophobicContact CG1-CB 3.82Å; V252-L330 HydrophobicContact CG1-CD1 4.49Å; V252-L330 HydrophobicContact CG2-CB 4.48Å; E326-L330 HydrophobicContact CG-CD1 4.3Å; E326-L330 WeakPolarHBondContact O-CB 3.19Å; E326-L330 VanDerWaalsContact O-CG 3.3Å; E326-L330 WeakPolarHBondContact O-CG 3.46Å; E326-L330 PolarHBondContact O-N 2.85Å; L330-I333 HydrophobicContact CD2-CD1 4.01Å; L330-I333 WeakPolarHBondContact O-CG1 3.02Å; L330-Y334 WeakPolarHBondContact O-CB 3.45Å; L330-Y334 VanDerWaalsContact O-CG 3.31Å; L330-Y334 PolarHBondContact O-N 2.92Å; L330-Y334 VanDerWaalsContact O-N 3.08Å
331D95.6Very high96.4Very high14 Ų1470.7 Ų70.78%0.07535%0.35CS..Hα-helixtrans-63.9-41.4176.6-166.370.7000112.2R251 V252 I253 R327 R328 H329 N335R251-D331 IonicContact CZ-OD1 2.69Å; R251-D331 IonicContact CZ-OD2 2.69Å; R251-D331 VanDerWaalsContact CZ-OD2 3.29Å; R251-D331 IonicContact NE-OD1 3.06Å; R251-D331 PolarHBondContact NE-OD1 3.15Å; R251-D331 IonicContact NE-OD2 3.67Å; R251-D331 PolarHBondContact NE-OD2 2.96Å; R251-D331 VanDerWaalsContact NE-OD2 3.09Å; R251-D331 IonicContact NH2-OD1 3.74Å; R251-D331 IonicContact NH2-OD2 3.96Å; R251-D331 PolarHBondContact NH2-OD2 2.98Å; V252-D331 HydrophobicContact CB-CB 3.91Å; V252-D331 PolarHBondContact N-OD1 3.43Å; I253-D331 HydrophobicContact CG2-CB 3.76Å; I253-D331 PolarHBondContact N-OD1 2.89Å; R327-D331 WeakPolarHBondContact O-CB 3.16Å; R327-D331 PolarHBondContact O-N 3.22Å; R328-D331 WeakPolarHBondContact O-CB 3.37Å; R328-D331 PolarHBondContact O-N 3.14Å; H329-D331 VanDerWaalsContact C-N 3.31Å; H329-D331 PolarHBondContact O-N 3.28Å; D331-N335 WeakPolarHBondContact O-CB 3.44Å; D331-N335 PolarHBondContact O-N 3.28Å; D331-N335 PolarHBondContact O-ND2 3.05Å; D331-N335 PolarHBondContact OD1-ND2 3.46Å
332L94.5Very high96.3Very high65 Ų6574.3 Ų74.334%0.3437%0.367SS..Hα-helixtrans-59.1-60.7174.2177.364.2000110.2R328 H329 Y334 N335 F336R328-L332 PolarHBondContact O-N 3.42Å; H329-L332 WeakPolarHBondContact O-CB 3.24Å; H329-L332 PolarHBondContact O-N 2.94Å; L332-Y334 VanDerWaalsContact C-N 3.29Å; L332-Y334 PolarHBondContact O-N 2.94Å; L332-N335 CarbonylContact O-C 3.48Å; L332-N335 PolarHBondContact O-N 3.35Å; L332-N335 VanDerWaalsContact O-N 3.13Å; L332-F336 HydrophobicContact CD1-CD2 3.86Å; L332-F336 WeakPolarHBondContact O-CA 3.36Å; L332-F336 VanDerWaalsContact O-CB 3.25Å; L332-F336 WeakPolarHBondContact O-CB 3.38Å; L332-F336 PolarHBondContact O-N 3.47Å
333I95.7Very high96.3Very high84 Ų8474.3 Ų74.343%0.43137%0.369SS..Hα-helixtrans-66-27.3-171.766.5176.3000113.7H329 L330H329-I333 WeakPolarHBondContact O-CG1 3.47Å; H329-I333 PolarHBondContact O-N 2.94Å; L330-I333 HydrophobicContact CD2-CD1 4.01Å; L330-I333 WeakPolarHBondContact O-CG1 3.02Å
334Y95.8Very high96.2Very high100 Ų10076.4 Ų76.439%0.39238%0.377SS..Hα-helixtrans-82.6-18.5177.9-69.6-9000113.5V252 L330 L332V252-Y334 HydrophobicContact CG2-CD2 3.55Å; V252-Y334 HydrophobicContact CG2-CE2 4.21Å; V252-Y334 HydrophobicContact CG2-CG 4.47Å; L330-Y334 WeakPolarHBondContact O-CB 3.45Å; L330-Y334 VanDerWaalsContact O-CG 3.31Å; L330-Y334 PolarHBondContact O-N 2.92Å; L330-Y334 VanDerWaalsContact O-N 3.08Å; L332-Y334 VanDerWaalsContact C-N 3.29Å; L332-Y334 PolarHBondContact O-N 2.94Å
335N95.2Very high96.1Very high91 Ų9182.9 Ų82.949%0.48740%0.402SS..SBendtrans-122.417.5-178-56.1-82.7000112.3D331 L332D331-N335 WeakPolarHBondContact O-CB 3.44Å; D331-N335 PolarHBondContact O-N 3.28Å; D331-N335 PolarHBondContact O-ND2 3.05Å; D331-N335 PolarHBondContact OD1-ND2 3.46Å; L332-N335 CarbonylContact O-C 3.48Å; L332-N335 PolarHBondContact O-N 3.35Å; L332-N335 VanDerWaalsContact O-N 3.13Å
336F94.8Very high96Very high116 Ų11680.4 Ų80.451%0.50940%0.396SS..  trans-81.1141.8-178-171.4-100.2000112L332L332-F336 HydrophobicContact CD1-CD2 3.86Å; L332-F336 WeakPolarHBondContact O-CA 3.36Å; L332-F336 VanDerWaalsContact O-CB 3.25Å; L332-F336 WeakPolarHBondContact O-CB 3.38Å; L332-F336 PolarHBondContact O-N 3.47Å
337G95.8Very high96Very high50 Ų5078.1 Ų78.152%0.51540%0.403SS..SBendtrans78.2-149.3169.400000115.2T341G337-T341 WeakPolarHBondContact CA-OG1 3.39Å
338C96.4Very high96Very high29 Ų2981.8 Ų81.820%0.19643%0.429CS..  trans-152.2-168-178.4700000111.4L340 T341 D342C338-L340 PolarHBondContact O-N 3.28Å; C338-T341 PolarHBondContact N-OG1 3.32Å; C338-T341 PolarHBondContact O-N 2.73Å; C338-T341 PolarHBondContact O-OG1 3.08Å; C338-D342 PolarHBondContact O-N 3.35Å; C338-D342 VanDerWaalsContact O-N 3.13Å
339H97.7Very high96.1Very high36 Ų3678.4 Ų78.417%0.16742%0.421CS..THydrogen-bonded Turntrans-58.2-21.3-179.560.3-73.2000114.3E207 D342E207-H339 IonicContact OE1-CD2 3.2Å; E207-H339 IonicContact OE1-CE1 2.94Å; E207-H339 IonicContact OE1-NE2 2.65Å; E207-H339 PolarHBondContact OE1-NE2 3.06Å; H339-D342 WeakPolarHBondContact CA-OD2 3.43Å
340L97.4Very high96.2Very high101 Ų10178.1 Ų78.153%0.52943%0.427SS..THydrogen-bonded Turntrans-74.9-27176.2-57.7176.9000113.1E207 C338E207-L340 HydrophobicContact CG-CD1 4.4Å; E207-L340 HydrophobicContact CG-CD2 4.19Å; C338-L340 PolarHBondContact O-N 3.28Å
341T97Very high96.2Very high63 Ų6376.5 Ų76.539%0.38742%0.42SS..THydrogen-bonded Turntrans-105.5-12.2-177.555.10000113.2G337 C338 D343 Y344G337-T341 WeakPolarHBondContact CA-OG1 3.39Å; C338-T341 PolarHBondContact N-OG1 3.32Å; C338-T341 PolarHBondContact O-N 2.73Å; C338-T341 PolarHBondContact O-OG1 3.08Å; T341-D343 PolarHBondContact O-N 3.33Å; T341-D343 VanDerWaalsContact O-N 3.09Å; T341-Y344 WeakPolarHBondContact O-CB 3.44Å; T341-Y344 PolarHBondContact O-N 2.85Å
342D96.4Very high96.3Very high86 Ų8680.9 Ų80.946%0.4644%0.443SS..THydrogen-bonded Turntrans-57.8-22.4-179.6-76.7-15.1000114.3C338 H339C338-D342 PolarHBondContact O-N 3.35Å; C338-D342 VanDerWaalsContact O-N 3.13Å; H339-D342 WeakPolarHBondContact CA-OD2 3.43Å
343D96.7Very high96.4Very high97 Ų9782.7 Ų82.752%0.51946%0.461SS..THydrogen-bonded Turntrans-923.8176.7-71.7-32.9000114K57 T341 R345K57-D343 WeakPolarHBondContact CD-OD1 3.5Å; K57-D343 WeakPolarHBondContact CE-OD1 3.28Å; K57-D343 WeakPolarHBondContact CE-OD2 3.21Å; K57-D343 IonicContact NZ-OD1 3.17Å; K57-D343 PolarHBondContact NZ-OD1 3.07Å; K57-D343 IonicContact NZ-OD2 3.13Å; K57-D343 PolarHBondContact NZ-OD2 2.67Å; T341-D343 PolarHBondContact O-N 3.33Å; T341-D343 VanDerWaalsContact O-N 3.09Å; D343-R345 PolarHBondContact O-N 2.76Å
344Y95.6Very high96.5Very high133 Ų13381.9 Ų81.952%0.52246%0.458SS..  trans-55.9127.5179.9169.2-105.9000111.1T341 P346 L736T341-Y344 WeakPolarHBondContact O-CB 3.44Å; T341-Y344 PolarHBondContact O-N 2.85Å; Y344-P346 HydrophobicContact CE1-CG 4.03Å; Y344-L736 HydrophobicContact CE1-CD2 4.35Å; Y344-L736 WeakPolarHBondContact OH-CD1 3.32Å; Y344-L736 WeakPolarHBondContact OH-CD2 3.4Å
345R95.9Very high96.6Very high139 Ų13982 Ų8253%0.52547%0.47SS..  trans-136.2123.6175.6-68.5176.2-172.4-131.9-7.3107.6E62 D343 G347 V348E62-R345 IonicContact OE1-NH2 3.74Å; D343-R345 PolarHBondContact O-N 2.76Å; R345-G347 PolarHBondContact O-N 3.27Å; R345-G347 VanDerWaalsContact O-N 3.15Å; R345-V348 HydrophobicContact CB-CG2 3.85Å; R345-V348 PolarHBondContact O-N 3.07Å
346P95Very high96.7Very high67 Ų6783 Ų8344%0.43548%0.479SS..G310 helixtrans-53.6-38.1-179-27.433.4000113.4Y344 V348 D349Y344-P346 HydrophobicContact CE1-CG 4.03Å; P346-V348 PolarHBondContact O-N 2.91Å; P346-V348 VanDerWaalsContact O-N 3.09Å; P346-D349 WeakPolarHBondContact O-CB 3.44Å; P346-D349 PolarHBondContact O-N 2.85Å
347G96Very high96.9Very high67 Ų6780.2 Ų80.269%0.69147%0.47SS*.G310 helixtrans-71.51.2179.200000116.2R345R345-G347 PolarHBondContact O-N 3.27Å; R345-G347 VanDerWaalsContact O-N 3.15Å
348V96.4Very high97Very high109 Ų10979 Ų7966%0.66146%0.455SS*.G310 helixtrans-108.911.8176.8-167.60000110.8R345 P346 P350R345-V348 HydrophobicContact CB-CG2 3.85Å; R345-V348 PolarHBondContact O-N 3.07Å; P346-V348 PolarHBondContact O-N 2.91Å; P346-V348 VanDerWaalsContact O-N 3.09Å; V348-P350 WeakPolarHBondContact O-CD 3.45Å
349D97Very high97.1Very high65 Ų6585.1 Ų85.135%0.34847%0.474SS..  trans-63.5120.5173.6-175.9-12.3000110.8P346 A351 L352P346-D349 WeakPolarHBondContact O-CB 3.44Å; P346-D349 PolarHBondContact O-N 2.85Å; D349-A351 PolarHBondContact O-N 2.98Å; D349-A351 VanDerWaalsContact O-N 3.09Å; D349-A351 VanDerWaalsContact OD1-CB 3.28Å; D349-A351 WeakPolarHBondContact OD1-CB 3.21Å; D349-A351 PolarHBondContact OD1-N 3.41Å; D349-L352 HydrophobicContact CB-CD1 4.3Å; D349-L352 HydrophobicContact CB-CG 4.18Å; D349-L352 WeakPolarHBondContact O-CB 3.42Å; D349-L352 PolarHBondContact O-N 3.31Å
350P98Very high97.1Very high81 Ų8190.3 Ų90.353%0.52649%0.492SS..G310 helixtrans-53.3-29.1176.4-26.835.8000114V348 L352 S353 D354 L357V348-P350 WeakPolarHBondContact O-CD 3.45Å; P350-L352 PolarHBondContact O-N 3.28Å; P350-S353 PolarHBondContact O-N 3.07Å; P350-S353 PolarHBondContact O-OG 3.33Å; P350-D354 PolarHBondContact O-N 2.91Å; P350-L357 HydrophobicContact CB-CD2 3.89Å
351A97.3Very high97.2Very high13 Ų1389.1 Ų89.111%0.10749%0.486CS..G310 helixtrans-64.1-21.7179.100000113.5D349 S353 L357 A358 L361D349-A351 PolarHBondContact O-N 2.98Å; D349-A351 VanDerWaalsContact O-N 3.09Å; D349-A351 VanDerWaalsContact OD1-CB 3.28Å; D349-A351 WeakPolarHBondContact OD1-CB 3.21Å; D349-A351 PolarHBondContact OD1-N 3.41Å; A351-S353 VanDerWaalsContact C-N 3.28Å; A351-S353 PolarHBondContact O-N 3.44Å; A351-L357 HydrophobicContact CB-CD2 4.14Å; A351-L357 HydrophobicContact CB-CG 4.09Å; A351-A358 WeakPolarHBondContact O-CB 3.32Å; A351-L361 HydrophobicContact CB-CD1 3.56Å
352L97.2Very high97.2Very high107 Ų10794 Ų9456%0.5650%0.497SS*.G310 helixtrans-70.4-28.2174.5-61.1176000112.1D349 P350D349-L352 HydrophobicContact CB-CD1 4.3Å; D349-L352 HydrophobicContact CB-CG 4.18Å; D349-L352 WeakPolarHBondContact O-CB 3.42Å; D349-L352 PolarHBondContact O-N 3.31Å; P350-L352 PolarHBondContact O-N 3.28Å
353S97.2Very high97.3Very high102 Ų10294 Ų9471%0.71349%0.494SS*.THydrogen-bonded Turntrans-100.8-26.7-178.267.10000113.9P350 A351 P355P350-S353 PolarHBondContact O-N 3.07Å; P350-S353 PolarHBondContact O-OG 3.33Å; A351-S353 VanDerWaalsContact C-N 3.28Å; A351-S353 PolarHBondContact O-N 3.44Å; S353-P355 WeakPolarHBondContact O-CD 3.48Å
354D98.1Very high97.4Very high68 Ų6892.2 Ų92.236%0.36449%0.485SS..  trans-106.2105.4179.4-175.8-17.5000111.2P350 V356 L357 A358P350-D354 PolarHBondContact O-N 2.91Å; D354-V356 VanDerWaalsContact C-N 3.28Å; D354-V356 PolarHBondContact O-N 3.29Å; D354-V356 WeakPolarHBondContact OD1-CA 3.43Å; D354-V356 VanDerWaalsContact OD1-CB 3.3Å; D354-V356 WeakPolarHBondContact OD1-CB 3.5Å; D354-V356 PolarHBondContact OD1-N 2.92Å; D354-L357 HydrophobicContact CB-CB 3.87Å; D354-L357 PolarHBondContact O-N 3.41Å; D354-L357 PolarHBondContact OD1-N 3.46Å; D354-L357 VanDerWaalsContact OD1-N 3.12Å; D354-A358 PolarHBondContact O-N 2.89Å
355P97.6Very high97.5Very high102 Ų10291.6 Ų91.666%0.66248%0.481SS*.Hα-helixtrans-69.8-22.7-179.529.3-35.6000113.6S353 R359S353-P355 WeakPolarHBondContact O-CD 3.48Å; P355-R359 WeakPolarHBondContact O-CB 3.49Å; P355-R359 PolarHBondContact O-N 3.18Å
356V98.5Very high97.6Very high111 Ų11188.7 Ų88.767%0.67348%0.483SS*.Hα-helixtrans-71-45.6175.9-179.10000109.1D354 R359 R360D354-V356 VanDerWaalsContact C-N 3.28Å; D354-V356 PolarHBondContact O-N 3.29Å; D354-V356 WeakPolarHBondContact OD1-CA 3.43Å; D354-V356 VanDerWaalsContact OD1-CB 3.3Å; D354-V356 WeakPolarHBondContact OD1-CB 3.5Å; D354-V356 PolarHBondContact OD1-N 2.92Å; V356-R359 PolarHBondContact O-N 3.38Å; V356-R360 PolarHBondContact O-N 2.96Å
357L98.2Very high97.7Very high59 Ų5990.7 Ų90.731%0.30949%0.489SS..Hα-helixtrans-60.6-48.8172.7179.357.7000111.1P350 A351 D354 R359 R360 L361P350-L357 HydrophobicContact CB-CD2 3.89Å; A351-L357 HydrophobicContact CB-CD2 4.14Å; A351-L357 HydrophobicContact CB-CG 4.09Å; D354-L357 HydrophobicContact CB-CB 3.87Å; D354-L357 PolarHBondContact O-N 3.41Å; D354-L357 PolarHBondContact OD1-N 3.46Å; D354-L357 VanDerWaalsContact OD1-N 3.12Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 2.99Å; L357-R360 WeakPolarHBondContact O-CB 3.38Å; L357-R360 PolarHBondContact O-N 2.89Å; L357-R360 VanDerWaalsContact O-N 3.08Å; L357-L361 HydrophobicContact CD1-CD1 4.23Å; L357-L361 HydrophobicContact CD1-CG 4.13Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.45Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.48Å
358A97.9Very high97.8Very high24 Ų2489.6 Ų89.620%0.19847%0.473CS..Hα-helixtrans-56.8-42.1177.400000112.6A351 D354 L361 R362A351-A358 WeakPolarHBondContact O-CB 3.32Å; D354-A358 PolarHBondContact O-N 2.89Å; A358-L361 PolarHBondContact O-N 3.2Å; A358-R362 WeakPolarHBondContact O-CB 3.23Å; A358-R362 PolarHBondContact O-N 3.1Å
359R98.4Very high97.9Very high158 Ų15887 Ų8760%0.59645%0.454SS*.Hα-helixtrans-62.2-46.5175.6-179.6-176.2167.5-171.30.3111.2P355 V356 L357 L361 R362 E363P355-R359 WeakPolarHBondContact O-CB 3.49Å; P355-R359 PolarHBondContact O-N 3.18Å; V356-R359 PolarHBondContact O-N 3.38Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 2.99Å; R359-L361 VanDerWaalsContact C-N 3.33Å; R359-L361 PolarHBondContact O-N 3.37Å; R359-R362 WeakPolarHBondContact O-CB 3.3Å; R359-R362 PolarHBondContact O-N 3.28Å; R359-E363 IonicContact CZ-OE1 2.66Å; R359-E363 IonicContact NE-OE1 3.09Å; R359-E363 PolarHBondContact NE-OE1 3.28Å; R359-E363 IonicContact NH2-OE1 3.49Å; R359-E363 PolarHBondContact NH2-OE1 3Å; R359-E363 WeakPolarHBondContact O-CG 3.44Å; R359-E363 PolarHBondContact O-N 2.9Å
360R98.5Very high97.9Very high144 Ų14487.1 Ų87.154%0.54346%0.461SS..Hα-helixtrans-61.1-42.7178.3-179.657176.3153.85.5111.5V356 L357 R362 E363 N364V356-R360 PolarHBondContact O-N 2.96Å; L357-R360 WeakPolarHBondContact O-CB 3.38Å; L357-R360 PolarHBondContact O-N 2.89Å; L357-R360 VanDerWaalsContact O-N 3.08Å; R360-R362 VanDerWaalsContact C-N 3.35Å; R360-R362 PolarHBondContact O-N 2.78Å; R360-E363 IonicContact NH1-OE2 3.88Å; R360-E363 PolarHBondContact O-N 3.08Å; R360-N364 VanDerWaalsContact CZ-OD1 3.24Å; R360-N364 PolarHBondContact NE-OD1 3.45Å; R360-N364 PolarHBondContact NH1-OD1 3.11Å; R360-N364 PolarHBondContact O-N 3.3Å; R360-N364 PolarHBondContact O-OD1 3.11Å
361L98.2Very high98Very high76 Ų7689.4 Ų89.440%0.39846%0.459SS..Hα-helixtrans-65.4-36.3176.9-67.8178.1000112.4A351 L357 A358 R359 N364 R365A351-L361 HydrophobicContact CB-CD1 3.56Å; L357-L361 HydrophobicContact CD1-CD1 4.23Å; L357-L361 HydrophobicContact CD1-CG 4.13Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.45Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.48Å; A358-L361 PolarHBondContact O-N 3.2Å; R359-L361 VanDerWaalsContact C-N 3.33Å; R359-L361 PolarHBondContact O-N 3.37Å; L361-N364 WeakPolarHBondContact O-CB 3.29Å; L361-N364 PolarHBondContact O-N 3.38Å; L361-R365 WeakPolarHBondContact O-CB 3.45Å; L361-R365 PolarHBondContact O-N 3.16Å
362R98.1Very high98Very high167 Ų16792.3 Ų92.363%0.6347%0.472SS*.Hα-helixtrans-63.9-42.4173.5-164.5-177.8-57.9105.34.3112.3A358 R359 R360 R365 S366A358-R362 WeakPolarHBondContact O-CB 3.23Å; A358-R362 PolarHBondContact O-N 3.1Å; R359-R362 WeakPolarHBondContact O-CB 3.3Å; R359-R362 PolarHBondContact O-N 3.28Å; R360-R362 VanDerWaalsContact C-N 3.35Å; R360-R362 PolarHBondContact O-N 2.78Å; R362-R365 PolarHBondContact O-N 3.26Å; R362-S366 PolarHBondContact O-N 3.39Å; R362-S366 VanDerWaalsContact O-N 3.09Å
363E98.4Very high98Very high85 Ų8592.3 Ų92.340%0.39747%0.472SS..Hα-helixtrans-63.1-44.5173.8-69.5171.8-17100111R359 R360 R365 S366 L367R359-E363 IonicContact CZ-OE1 2.66Å; R359-E363 IonicContact NE-OE1 3.09Å; R359-E363 PolarHBondContact NE-OE1 3.28Å; R359-E363 IonicContact NH2-OE1 3.49Å; R359-E363 PolarHBondContact NH2-OE1 3Å; R359-E363 WeakPolarHBondContact O-CG 3.44Å; R359-E363 PolarHBondContact O-N 2.9Å; R360-E363 IonicContact NH1-OE2 3.88Å; R360-E363 PolarHBondContact O-N 3.08Å; E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.06Å; E363-S366 PolarHBondContact O-N 3.18Å; E363-L367 PolarHBondContact O-N 3.34Å; E363-L367 VanDerWaalsContact O-N 3.08Å
364N98.3Very high98.1Very high60 Ų6092.3 Ų92.332%0.32146%0.461SS..Hα-helixtrans-59.6-41.8175-68-8.7000111.6R360 L361 L367 A368R360-N364 VanDerWaalsContact CZ-OD1 3.24Å; R360-N364 PolarHBondContact NE-OD1 3.45Å; R360-N364 PolarHBondContact NH1-OD1 3.11Å; R360-N364 PolarHBondContact O-N 3.3Å; R360-N364 PolarHBondContact O-OD1 3.11Å; L361-N364 WeakPolarHBondContact O-CB 3.29Å; L361-N364 PolarHBondContact O-N 3.38Å; N364-L367 PolarHBondContact O-N 3.28Å; N364-A368 WeakPolarHBondContact O-CB 3.47Å; N364-A368 PolarHBondContact O-N 3.14Å
365R97.2Very high98.1Very high119 Ų11992 Ų9245%0.44946%0.461SS..Hα-helixtrans-63.2-46.2179-177.867.5-166-163.84111.9L361 R362 E363 L367 A368 M369L361-R365 WeakPolarHBondContact O-CB 3.45Å; L361-R365 PolarHBondContact O-N 3.16Å; R362-R365 PolarHBondContact O-N 3.26Å; E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.06Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.28Å; R365-A368 PolarHBondContact O-N 2.93Å; R365-M369 PolarHBondContact NH2-SD 3.22Å; R365-M369 WeakPolarHBondContact O-CG 3.33Å; R365-M369 PolarHBondContact O-N 3.16Å
366S98Very high98.1Very high79 Ų7992.5 Ų92.555%0.55246%0.458SS*.Hα-helixtrans-61.9-42.6178179.20000111.8R362 E363 S370R362-S366 PolarHBondContact O-N 3.39Å; R362-S366 VanDerWaalsContact O-N 3.09Å; E363-S366 PolarHBondContact O-N 3.18Å; S366-S370 PolarHBondContact O-N 2.82Å; S366-S370 PolarHBondContact O-OG 3.07Å
367L98.3Very high98.1Very high108 Ų10890.2 Ų90.257%0.56545%0.446SS*.Hα-helixtrans-63.1-44.6174.1-18061.5000111.5E363 N364 R365 M369 S370 R371E363-L367 PolarHBondContact O-N 3.34Å; E363-L367 VanDerWaalsContact O-N 3.08Å; N364-L367 PolarHBondContact O-N 3.28Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.28Å; L367-M369 PolarHBondContact O-N 2.8Å; L367-S370 PolarHBondContact O-N 2.8Å; L367-R371 HydrophobicContact CD1-CG 3.98Å; L367-R371 HydrophobicContact CG-CG 4.19Å; L367-R371 WeakPolarHBondContact O-CB 3.46Å; L367-R371 WeakPolarHBondContact O-CG 3.26Å; L367-R371 PolarHBondContact O-N 2.97Å
368A97.5Very high98.1Very high44 Ų4492.8 Ų92.836%0.36446%0.455SS..Hα-helixtrans-60.5-46.5-179.100000112.6N364 R365 R371 L372N364-A368 WeakPolarHBondContact O-CB 3.47Å; N364-A368 PolarHBondContact O-N 3.14Å; R365-A368 PolarHBondContact O-N 2.93Å; A368-R371 PolarHBondContact O-N 3.21Å; A368-L372 PolarHBondContact O-N 3.33Å
369M97.8Very high98.1Very high54 Ų5498.7 Ų98.727%0.26647%0.473SS..Hα-helixtrans-60.9-46.6176.2-63-63.390.800111.3R365 L367 R371 L372 D373 I733R365-M369 PolarHBondContact NH2-SD 3.22Å; R365-M369 WeakPolarHBondContact O-CG 3.33Å; R365-M369 PolarHBondContact O-N 3.16Å; L367-M369 PolarHBondContact O-N 2.8Å; M369-R371 VanDerWaalsContact C-N 3.26Å; M369-R371 PolarHBondContact O-N 3.29Å; M369-L372 HydrophobicContact CE-CD1 3.82Å; M369-L372 PolarHBondContact O-N 3.46Å; M369-D373 PolarHBondContact O-N 3.38Å; M369-I733 HydrophobicContact CE-CD1 3.85Å; M369-I733 HydrophobicContact SD-CD1 4.07Å
370S98.1Very high98.1Very high68 Ų6893.4 Ų93.448%0.47646%0.463SS..Hα-helixtrans-60.4-36177.5-54.20000112.4S366 L367 E374S366-S370 PolarHBondContact O-N 2.82Å; S366-S370 PolarHBondContact O-OG 3.07Å; L367-S370 PolarHBondContact O-N 2.8Å; S370-E374 VanDerWaalsContact O-CB 3.23Å; S370-E374 WeakPolarHBondContact O-CB 3.35Å; S370-E374 PolarHBondContact O-N 3.02Å
371R98.4Very high98Very high130 Ų13091.3 Ų91.349%0.49146%0.461SS..Hα-helixtrans-72.2-38.1179.3-72.1-74.3-69.3154-2.4112.5L367 A368 M369 E374 V375L367-R371 HydrophobicContact CD1-CG 3.98Å; L367-R371 HydrophobicContact CG-CG 4.19Å; L367-R371 WeakPolarHBondContact O-CB 3.46Å; L367-R371 WeakPolarHBondContact O-CG 3.26Å; L367-R371 PolarHBondContact O-N 2.97Å; A368-R371 PolarHBondContact O-N 3.21Å; M369-R371 VanDerWaalsContact C-N 3.26Å; M369-R371 PolarHBondContact O-N 3.29Å; R371-E374 IonicContact CZ-OE2 3.41Å; R371-E374 IonicContact NH1-OE1 2.82Å; R371-E374 IonicContact NH1-OE2 3.84Å; R371-E374 PolarHBondContact NH1-OE2 2.98Å; R371-V375 WeakPolarHBondContact O-CG2 3.34Å; R371-V375 PolarHBondContact O-N 3.06Å; R371-V375 VanDerWaalsContact O-N 3.12Å
372L98.1Very high98Very high73 Ų7391.8 Ų91.838%0.38246%0.464SS..Hα-helixtrans-63.7-50.5173-71.3175.3000110.2A368 M369 E374 V375 I376A368-L372 PolarHBondContact O-N 3.33Å; M369-L372 HydrophobicContact CE-CD1 3.82Å; M369-L372 PolarHBondContact O-N 3.46Å; L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.45Å; L372-V375 PolarHBondContact O-N 3.27Å; L372-V375 VanDerWaalsContact O-N 3.09Å; L372-I376 WeakPolarHBondContact O-CG1 3.41Å; L372-I376 PolarHBondContact O-N 2.65Å
373D97.9Very high97.9Very high107 Ų10789.4 Ų89.457%0.57246%0.459SS*.Hα-helixtrans-59.2-39.9177.7-70.5-22.9000112.3M369 V375 S377M369-D373 PolarHBondContact O-N 3.38Å; D373-V375 PolarHBondContact O-N 2.99Å; D373-S377 WeakPolarHBondContact O-CB 3.43Å; D373-S377 PolarHBondContact O-N 2.94Å; D373-S377 PolarHBondContact O-OG 3.38Å
374E98.3Very high97.8Very high103 Ų10390.3 Ų90.348%0.48147%0.467SS..Hα-helixtrans-59.9-44.8175.7-174.9-168.8177.200111.2S370 R371 L372 K378S370-E374 VanDerWaalsContact O-CB 3.23Å; S370-E374 WeakPolarHBondContact O-CB 3.35Å; S370-E374 PolarHBondContact O-N 3.02Å; R371-E374 IonicContact CZ-OE2 3.41Å; R371-E374 IonicContact NH1-OE1 2.82Å; R371-E374 IonicContact NH1-OE2 3.84Å; R371-E374 PolarHBondContact NH1-OE2 2.98Å; L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.45Å; E374-K378 WeakPolarHBondContact O-CB 3.33Å; E374-K378 PolarHBondContact O-N 3.04Å
375V98.1Very high97.7Very high60 Ų6093.9 Ų93.936%0.36448%0.48SS..Hα-helixtrans-68-47.4-180171.10000111R371 L372 D373 S377 K378 Y379R371-V375 WeakPolarHBondContact O-CG2 3.34Å; R371-V375 PolarHBondContact O-N 3.06Å; R371-V375 VanDerWaalsContact O-N 3.12Å; L372-V375 PolarHBondContact O-N 3.27Å; L372-V375 VanDerWaalsContact O-N 3.09Å; D373-V375 PolarHBondContact O-N 2.99Å; V375-S377 PolarHBondContact O-N 3.11Å; V375-K378 WeakPolarHBondContact O-CB 3.46Å; V375-K378 PolarHBondContact O-N 3.17Å; V375-Y379 HydrophobicContact CG1-CD2 3.86Å; V375-Y379 HydrophobicContact CG1-CE2 3.88Å; V375-Y379 VanDerWaalsContact O-CD2 3.29Å; V375-Y379 WeakPolarHBondContact O-CD2 3.34Å; V375-Y379 PolarHBondContact O-N 3.37Å
376I97.9Very high97.5Very high114 Ų11491.8 Ų91.859%0.58548%0.484SS*.Hα-helixtrans-59.3-48.2177.1-62-60.3000110.3L372 K378 Y379 A380L372-I376 WeakPolarHBondContact O-CG1 3.41Å; L372-I376 PolarHBondContact O-N 2.65Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.2Å; I376-Y379 PolarHBondContact O-N 2.98Å; I376-A380 WeakPolarHBondContact O-CB 3.47Å; I376-A380 PolarHBondContact O-N 2.93Å
377S98.1Very high97.3Very high62 Ų6291.2 Ų91.243%0.43447%0.472SS..Hα-helixtrans-63-38.7177.6-60.90000112.4D373 V375 A380 M381D373-S377 WeakPolarHBondContact O-CB 3.43Å; D373-S377 PolarHBondContact O-N 2.94Å; D373-S377 PolarHBondContact O-OG 3.38Å; V375-S377 PolarHBondContact O-N 3.11Å; S377-A380 PolarHBondContact O-N 3.32Å; S377-M381 WeakPolarHBondContact O-CB 3.46Å; S377-M381 WeakPolarHBondContact O-CG 3.4Å; S377-M381 PolarHBondContact O-N 3.43Å
378K98.3Very high97Very high114 Ų11490.7 Ų90.750%0.49647%0.467SS..Hα-helixtrans-60.6-47.2176.9176.5-174.9175.3-173.20111E374 V375 I376 M381 L382E374-K378 WeakPolarHBondContact O-CB 3.33Å; E374-K378 PolarHBondContact O-N 3.04Å; V375-K378 WeakPolarHBondContact O-CB 3.46Å; V375-K378 PolarHBondContact O-N 3.17Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.2Å; K378-M381 PolarHBondContact O-N 2.9Å; K378-L382 HydrophobicContact CG-CD1 4.32Å; K378-L382 WeakPolarHBondContact O-CG 3.31Å; K378-L382 PolarHBondContact O-N 3.17Å
379Y98.3Very high96.6Very high147 Ų14790.4 Ų90.458%0.57647%0.468SS*.Hα-helixtrans-72.1-36.1179.4-78.1-75.1000112.5V375 I376 M381 L382 Q383V375-Y379 HydrophobicContact CG1-CD2 3.86Å; V375-Y379 HydrophobicContact CG1-CE2 3.88Å; V375-Y379 VanDerWaalsContact O-CD2 3.29Å; V375-Y379 WeakPolarHBondContact O-CD2 3.34Å; V375-Y379 PolarHBondContact O-N 3.37Å; I376-Y379 PolarHBondContact O-N 2.98Å; Y379-M381 PolarHBondContact O-N 3.46Å; Y379-L382 HydrophobicContact CD1-CD1 4.07Å; Y379-L382 HydrophobicContact CE1-CD1 4.3Å; Y379-L382 PolarHBondContact O-N 3.41Å; Y379-Q383 PolarHBondContact O-N 3.48Å
380A97.9Very high96.2Very high47 Ų4792.6 Ų92.639%0.38848%0.478SS..Hα-helixtrans-58.5-46.7170.500000111.7I376 S377 L382 Q383 D384I376-A380 WeakPolarHBondContact O-CB 3.47Å; I376-A380 PolarHBondContact O-N 2.93Å; S377-A380 PolarHBondContact O-N 3.32Å; A380-L382 VanDerWaalsContact C-N 3.34Å; A380-L382 PolarHBondContact O-N 2.96Å; A380-Q383 WeakPolarHBondContact O-CB 3.48Å; A380-Q383 PolarHBondContact O-N 3.04Å; A380-D384 PolarHBondContact O-N 2.94Å
381M97.5Very high95.9Very high100 Ų10096.4 Ų96.449%0.49348%0.481SS..Hα-helixtrans-65.3-33.8175.7-74.9-170-6900113.4S377 K378 Y379 K385S377-M381 WeakPolarHBondContact O-CB 3.46Å; S377-M381 WeakPolarHBondContact O-CG 3.4Å; S377-M381 PolarHBondContact O-N 3.43Å; K378-M381 PolarHBondContact O-N 2.9Å; Y379-M381 PolarHBondContact O-N 3.46Å; M381-K385 WeakPolarHBondContact O-CB 3.38Å; M381-K385 WeakPolarHBondContact O-CD 3.41Å; M381-K385 WeakPolarHBondContact O-CG 3.35Å; M381-K385 PolarHBondContact O-N 3.32Å
382L97.2Very high95.4Very high87 Ų8795.8 Ų95.846%0.45548%0.483SS..Hα-helixtrans-66.6-41174.7-77.3169.9000110.9K378 Y379 A380 K385 S386K378-L382 HydrophobicContact CG-CD1 4.32Å; K378-L382 WeakPolarHBondContact O-CG 3.31Å; K378-L382 PolarHBondContact O-N 3.17Å; Y379-L382 HydrophobicContact CD1-CD1 4.07Å; Y379-L382 HydrophobicContact CE1-CD1 4.3Å; Y379-L382 PolarHBondContact O-N 3.41Å; A380-L382 VanDerWaalsContact C-N 3.34Å; A380-L382 PolarHBondContact O-N 2.96Å; L382-K385 PolarHBondContact O-N 3.16Å; L382-S386 WeakPolarHBondContact O-CB 3.34Å; L382-S386 PolarHBondContact O-N 3.49Å
383Q96.5Very high95.1Very high116 Ų11698.5 Ų98.554%0.54249%0.491SS..Hα-helixtrans-61.8-48.7173.2-177.7178.3-19.700111.1Y379 A380 K385 S386 E387Y379-Q383 PolarHBondContact O-N 3.48Å; A380-Q383 WeakPolarHBondContact O-CB 3.48Å; A380-Q383 PolarHBondContact O-N 3.04Å; Q383-K385 VanDerWaalsContact C-N 3.33Å; Q383-K385 PolarHBondContact O-N 3.02Å; Q383-S386 WeakPolarHBondContact O-CB 3.49Å; Q383-S386 PolarHBondContact O-N 3.46Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; Q383-E387 HydrophobicContact CG-CG 4.46Å; Q383-E387 PolarHBondContact NE2-OE1 3.21Å; Q383-E387 VanDerWaalsContact NE2-OE1 3.1Å; Q383-E387 PolarHBondContact O-N 3.02Å
384D96Very high94.8Very high104 Ų104101 Ų10156%0.55649%0.493SS*.Hα-helixtrans-57.4-44.6177.9-79.9-25.5000112.3A380 S386 E387 E388A380-D384 PolarHBondContact O-N 2.94Å; D384-S386 VanDerWaalsContact C-N 3.34Å; D384-E387 PolarHBondContact O-N 3.5Å; D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 PolarHBondContact O-N 3.03Å
385K95.8Very high94.4Very high136 Ų136104.5 Ų104.559%0.59150%0.501SS*.Hα-helixtrans-64.7-38.7176.9-73.4169.3-174172.80111.9M381 L382 Q383 G389M381-K385 WeakPolarHBondContact O-CB 3.38Å; M381-K385 WeakPolarHBondContact O-CD 3.41Å; M381-K385 WeakPolarHBondContact O-CG 3.35Å; M381-K385 PolarHBondContact O-N 3.32Å; L382-K385 PolarHBondContact O-N 3.16Å; Q383-K385 VanDerWaalsContact C-N 3.33Å; Q383-K385 PolarHBondContact O-N 3.02Å; K385-G389 PolarHBondContact O-N 3.13Å
386S93.5Very high93.9Very high75 Ų75104.6 Ų104.652%0.52451%0.509SS..Hα-helixtrans-64.7-48.9176-168.90000111.1L382 Q383 D384 E388 G389 E390L382-S386 WeakPolarHBondContact O-CB 3.34Å; L382-S386 PolarHBondContact O-N 3.49Å; Q383-S386 WeakPolarHBondContact O-CB 3.49Å; Q383-S386 PolarHBondContact O-N 3.46Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; D384-S386 VanDerWaalsContact C-N 3.34Å; S386-E388 PolarHBondContact O-N 3.45Å; S386-G389 PolarHBondContact O-N 3.01Å; S386-E390 PolarHBondContact O-N 3.38Å
387E94.1Very high93.4Very high66 Ų66107.4 Ų107.431%0.30851%0.512SS..Hα-helixtrans-63-39.7176.4-72.9-170.2-157.500112.4Q383 D384 G389 E390 R391Q383-E387 HydrophobicContact CG-CG 4.46Å; Q383-E387 PolarHBondContact NE2-OE1 3.21Å; Q383-E387 VanDerWaalsContact NE2-OE1 3.1Å; Q383-E387 PolarHBondContact O-N 3.02Å; D384-E387 PolarHBondContact O-N 3.5Å; E387-G389 VanDerWaalsContact C-N 3.35Å; E387-E390 PolarHBondContact O-N 3.03Å; E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 WeakPolarHBondContact O-CG 3.48Å; E387-R391 PolarHBondContact O-N 3.1Å; E387-R391 IonicContact OE2-CZ 3.7Å; E387-R391 IonicContact OE2-NH2 2.81Å; E387-R391 PolarHBondContact OE2-NH2 3.19Å
388E91.1Very high92.6Very high98 Ų98110.8 Ų110.846%0.45852%0.524SS..Hα-helixtrans-66.1-39.2175.4-160.3-167.5169.900111.2D384 S386 R391 K392D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 PolarHBondContact O-N 3.03Å; S386-E388 PolarHBondContact O-N 3.45Å; E388-R391 PolarHBondContact O-N 2.89Å; E388-K392 HydrophobicContact CG-CD 4.43Å; E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 VanDerWaalsContact O-CG 3.28Å; E388-K392 WeakPolarHBondContact O-CG 3.34Å; E388-K392 PolarHBondContact O-N 3.14Å; E388-K392 WeakPolarHBondContact OE1-CE 3.38Å; E388-K392 IonicContact OE1-NZ 2.71Å; E388-K392 PolarHBondContact OE1-NZ 3.26Å; E388-K392 IonicContact OE2-NZ 3.48Å; E388-K392 PolarHBondContact OE2-NZ 2.94Å
389G89.8Confident91.4Very high38 Ų38112.4 Ų112.439%0.39253%0.534SS..Hα-helixtrans-59.7-45.9171.900000112.3K385 S386 E387 K392 K393K385-G389 PolarHBondContact O-N 3.13Å; S386-G389 PolarHBondContact O-N 3.01Å; E387-G389 VanDerWaalsContact C-N 3.35Å; G389-K392 PolarHBondContact O-N 3.37Å; G389-K393 WeakPolarHBondContact O-CB 3.44Å; G389-K393 PolarHBondContact O-N 3Å
390E90.5Very high89.7Confident100 Ų100108.3 Ų108.347%0.46754%0.536SS..Hα-helixtrans-63.4-44.9174-75.4-156.6179.200112.4S386 E387 K392 K393 R394S386-E390 PolarHBondContact O-N 3.38Å; E387-E390 PolarHBondContact O-N 3.03Å; E390-K392 VanDerWaalsContact C-N 3.32Å; E390-K392 PolarHBondContact O-N 3.31Å; E390-K393 PolarHBondContact O-N 3.48Å; E390-R394 WeakPolarHBondContact O-CB 3.33Å; E390-R394 VanDerWaalsContact O-CG 3.29Å; E390-R394 WeakPolarHBondContact O-CG 3.04Å; E390-R394 PolarHBondContact O-N 3.27Å; E390-R394 IonicContact OE2-CZ 3.9Å; E390-R394 IonicContact OE2-NE 3.96Å; E390-R394 IonicContact OE2-NH2 3.02Å; E390-R394 PolarHBondContact OE2-NH2 3.23Å
391R90.4Very high87.8Confident147 Ų147111.9 Ų111.956%0.55555%0.553SS**Hα-helixtrans-61.3-40.9177.2-72.6168.9-168.5-177.58.3110.8E387 E388 R394 R395E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 WeakPolarHBondContact O-CG 3.48Å; E387-R391 PolarHBondContact O-N 3.1Å; E387-R391 IonicContact OE2-CZ 3.7Å; E387-R391 IonicContact OE2-NH2 2.81Å; E387-R391 PolarHBondContact OE2-NH2 3.19Å; E388-R391 PolarHBondContact O-N 2.89Å; R391-R394 PolarHBondContact O-N 3.04Å; R391-R395 VanDerWaalsContact O-CG 3.29Å; R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-N 3.45Å
392K89.3Confident85.7Confident118 Ų118111.9 Ų111.951%0.51356%0.563SS.*Hα-helixtrans-64.3-44.3173.9-75.9169-176.6161.40111.7E388 G389 E390 R395 A396E388-K392 HydrophobicContact CG-CD 4.43Å; E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 VanDerWaalsContact O-CG 3.28Å; E388-K392 WeakPolarHBondContact O-CG 3.34Å; E388-K392 PolarHBondContact O-N 3.14Å; E388-K392 WeakPolarHBondContact OE1-CE 3.38Å; E388-K392 IonicContact OE1-NZ 2.71Å; E388-K392 PolarHBondContact OE1-NZ 3.26Å; E388-K392 IonicContact OE2-NZ 3.48Å; E388-K392 PolarHBondContact OE2-NZ 2.94Å; G389-K392 PolarHBondContact O-N 3.37Å; E390-K392 VanDerWaalsContact C-N 3.32Å; E390-K392 PolarHBondContact O-N 3.31Å; K392-R395 PolarHBondContact O-N 2.76Å; K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3.1Å
393K90.9Very high83.4Confident129 Ų129112.2 Ų112.256%0.56157%0.573SS**Hα-helixtrans-62.7-41.8176-172175.5-178.2178.10112.1G389 E390 A396 R397G389-K393 WeakPolarHBondContact O-CB 3.44Å; G389-K393 PolarHBondContact O-N 3Å; E390-K393 PolarHBondContact O-N 3.48Å; K393-A396 PolarHBondContact O-N 3.02Å; K393-R397 WeakPolarHBondContact O-CG 3.32Å; K393-R397 PolarHBondContact O-N 3.1Å
394R90.8Very high81Confident161 Ų161116 Ų11661%0.60859%0.59SS**Hα-helixtrans-62.5-42.3173.7-69.9177.7-164.1-1568.2111.2E390 R391 R397 L398E390-R394 WeakPolarHBondContact O-CB 3.33Å; E390-R394 VanDerWaalsContact O-CG 3.29Å; E390-R394 WeakPolarHBondContact O-CG 3.04Å; E390-R394 PolarHBondContact O-N 3.27Å; E390-R394 IonicContact OE2-CZ 3.9Å; E390-R394 IonicContact OE2-NE 3.96Å; E390-R394 IonicContact OE2-NH2 3.02Å; E390-R394 PolarHBondContact OE2-NH2 3.23Å; R391-R394 PolarHBondContact O-N 3.04Å; R394-R397 PolarHBondContact O-N 2.73Å; R394-L398 WeakPolarHBondContact O-CG 3.48Å; R394-L398 PolarHBondContact O-N 3.03Å
395R90.3Very high78.5Confident176 Ų176116.6 Ų116.666%0.66460%0.602SS**Hα-helixtrans-66-41.6175.6-73.2173.8-176.5-139.61.9113.3R391 K392 R397 L398 Q399R391-R395 VanDerWaalsContact O-CG 3.29Å; R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-N 3.45Å; K392-R395 PolarHBondContact O-N 2.76Å; R395-R397 VanDerWaalsContact C-N 3.35Å; R395-L398 PolarHBondContact O-N 3.13Å; R395-Q399 PolarHBondContact O-N 3.3Å
396A88.8Confident75.9Confident62 Ų62114.4 Ų114.451%0.51261%0.61SS.*Hα-helixtrans-64-39.9177.500000111.9K392 K393 L398 Q399 G400K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3.1Å; K393-A396 PolarHBondContact O-N 3.02Å; A396-L398 VanDerWaalsContact C-N 3.28Å; A396-L398 PolarHBondContact O-N 3.27Å; A396-Q399 PolarHBondContact O-N 3.4Å; A396-G400 PolarHBondContact O-N 2.9Å
397R87.3Confident73.6Confident173 Ų173119.1 Ų119.165%0.65363%0.629SS**Hα-helixtrans-62.2-33.1173.7-74.5177.5173.2-174-4.2113K393 R394 R395K393-R397 WeakPolarHBondContact O-CG 3.32Å; K393-R397 PolarHBondContact O-N 3.1Å; R394-R397 PolarHBondContact O-N 2.73Å; R395-R397 VanDerWaalsContact C-N 3.35Å
398L80.2Confident71Confident133 Ų133122.2 Ų122.270%0.69665%0.653SS**Hα-helixtrans-79-26.9177.2-68.9169.1000113.5R394 R395 A396 T401R394-L398 WeakPolarHBondContact O-CG 3.48Å; R394-L398 PolarHBondContact O-N 3.03Å; R395-L398 PolarHBondContact O-N 3.13Å; A396-L398 VanDerWaalsContact C-N 3.28Å; A396-L398 PolarHBondContact O-N 3.27Å; L398-T401 PolarHBondContact O-OG1 3.46Å
399Q73.5Confident68.8Low148 Ų148123 Ų12369%0.69267%0.666SS**Hα-helixtrans-87.2-27.1178-70-179.510.500113R395 A396 T401 S402R395-Q399 PolarHBondContact O-N 3.3Å; A396-Q399 PolarHBondContact O-N 3.4Å; Q399-T401 PolarHBondContact O-N 3.24Å; Q399-S402 PolarHBondContact O-N 2.85Å
400G63.1Low66.6Low61 Ų61129.7 Ų129.763%0.62969%0.687SS**THydrogen-bonded Turntrans-67.9-9.6179.200000115.6A396A396-G400 PolarHBondContact O-N 2.9Å
401T57Low64.3Low122 Ų122128.9 Ų128.975%0.74870%0.697SS**THydrogen-bonded Turntrans-99.23.2179.9540000114.2L398 Q399L398-T401 PolarHBondContact O-OG1 3.46Å; Q399-T401 PolarHBondContact O-N 3.24Å
402S54.5Low62.1Low99 Ų99127.2 Ų127.269%0.69271%0.708SS**SBendtrans-1064.4-171.5-170.30000115.3Q399Q399-S402 PolarHBondContact O-N 2.85Å
403S47.5Very low60.1Low95 Ų95129.8 Ų129.866%0.66473%0.727SS**  trans-120.463.7-177.753.60000113.3
404H46.9Very low58.4Low195 Ų195130.3 Ų130.390%0.90374%0.736SS**  trans-145.374.2159.6-94.6-64.3000109.7
405S43.4Very low56.5Low117 Ų117127.9 Ų127.982%0.81874%0.743SS**  trans-167.377.416546.80000111.6
406A42Very low54.5Low90 Ų90122.8 Ų122.874%0.74475%0.746SS**  trans-163.988.6156.200000109.2
407D43.9Very low52.5Low173 Ų173129.5 Ų129.593%0.92577%0.767SS**  trans-161.1107.9140.5-93.5-25.7000108.3
408T40.3Very low50.5Low132 Ų132124.6 Ų124.681%0.8177%0.77SS**  trans-99.3143162.8-10.70000105
409P43.9Very low49.6Very low115 Ų115124.1 Ų124.175%0.74778%0.775SS**  -158.2167.976.637.7-15.2000117.3
410E43.4Very low48.4Very low177 Ų177123 Ų12383%0.82778%0.784SS**  trans67.9106.5144.9-68.4-87.7132.500122.3
411A42.1Very low47.5Very low83 Ų83123.1 Ų123.169%0.68679%0.785SS**  56.5113.5124.400000122.9
412S45Very low47Very low112 Ų112126.7 Ų126.778%0.78380%0.795SS**  trans155.3108.9130.447.50000110.2
413L48Very low46.4Very low172 Ų172125.6 Ų125.690%0.90179%0.792SS**  46.6121.3104.3-57.2178.5000112.6
414D54.7Low46.6Very low140 Ų140126.4 Ų126.475%0.74980%0.798SS**  171.8144.564.9179.829.8000110.5
415S50.9Low46.5Very low110 Ų110126.1 Ų126.177%0.76980%0.797SS**  trans54.1141.3153.8-65.10000121.3
416G48Very low46.4Very low69 Ų69124.2 Ų124.271%0.71180%0.795SS**  cis-175.6140.65.300000106.8
417E47.7Very low45.9Very low204 Ų204126 Ų12695%0.95380%0.801SS**  99.2119.389.1-163.2171.8162.400113.3
418G45.1Very low45.8Very low70 Ų70123.3 Ų123.372%0.72279%0.793SS**  trans145.6132.3156.900000116.6
419P61.1Low45.5Very low123 Ų123122.8 Ų122.880%0.79980%0.795SS**  -139.8-176-127.837.3-16000118.1
420S48.6Very low45.2Very low125 Ų125121.8 Ų121.887%0.87480%0.796SS**  trans88.1139.415681.40000118.4
421G43.2Very low45.1Very low63 Ų63118.8 Ų118.865%0.64980%0.795SS**  cis-154.4148.18.300000111.9
422M46.9Very low44.9Very low196 Ų196126.8 Ų126.897%0.96681%0.807SS**  70.8130.7104.4-112121.185.800113.8
423A42.7Very low44.7Very low76 Ų76125.8 Ų125.863%0.62881%0.806SS**  cis-170.3142.714.500000110.9
424S50.3Low44.3Very low113 Ų113126.9 Ų126.979%0.7981%0.806SS**  62.9146.6123.1-59.60000121
425Q46.3Very low43.8Very low189 Ų189126.5 Ų126.588%0.88381%0.809SS**  cis-179.6149.7-14.7-136.1-176.96.500104.3
426G40Very low43.4Very low76 Ų76128.5 Ų128.578%0.78481%0.811SS**  trans114102.6146.600000119.4
427C31.5Very low43.1Very low127 Ų127131.6 Ų131.686%0.85881%0.811SS**  trans-72.3178.7141.4-670000109.8
428P41.5Very low43.1Very low117 Ų117131.3 Ų131.376%0.7681%0.81SS**  cis-144174.810.437.2-14.3000118.1
429S34.3Very low42.9Very low121 Ų121135.2 Ų135.285%0.84681%0.814SS**  trans27.6122.3148.2-58.30000122.7
430A37.3Very low42.2Very low94 Ų94136.6 Ų136.678%0.77782%0.815SS**  150148.9109.800000114.1
431S41.3Very low41.8Very low115 Ų115139.5 Ų139.580%0.80482%0.815SS**  trans78105.4159.553.90000122
432R38.4Very low41.6Very low251 Ų251145 Ų14595%0.94782%0.824SS**  36.9122.3123.5-75.5-177.7161-179.1-6.6120.7
433A41Very low41.1Very low91 Ų91140.4 Ų140.475%0.75281%0.811SS**  159.4108.512800000107.3
434E39.2Very low41Very low194 Ų194143.2 Ų143.291%0.90782%0.815SS**  4797.1101.7-68.1-153.4176.600115.4
435T45.1Very low40.4Very low132 Ų132144.9 Ų144.981%0.8181%0.81SS**  trans-179.1107150.824.30000103.5
436D42.6Very low40.1Very low153 Ų153142.5 Ų142.582%0.81880%0.799SS**  59.6134.877.4-146.321.2000111.4
437D41.9Very low39.9Very low133 Ų133146.5 Ų146.571%0.71180%0.798SS**  trans90.485.6-171.7-55.2-34.9000116.5
438E47.1Very low40.1Very low198 Ų198147.4 Ų147.493%0.92579%0.789SS**  trans-127.5103.1138-74.1-166.117300108D440E438-D440 PolarHBondContact O-N 3.44Å
439D41.7Very low39.8Very low152 Ų152147.3 Ų147.381%0.81378%0.779SS**  trans-54.8121.4161.6-65.8-62.2000109.2
440D46.3Very low39.9Very low152 Ų152149.5 Ų149.581%0.81378%0.776SS**  trans-117.2105.3168.6-142.9-0.3000107.8E438 E442E438-D440 PolarHBondContact O-N 3.44Å; D440-E442 PolarHBondContact O-N 3.37Å; D440-E442 VanDerWaalsContact O-N 3.12Å
441E40.4Very low39.8Very low187 Ų187152.3 Ų152.387%0.87477%0.773SS**  trans-71.190.5175.8-66.1-172.1168.400109.3
442E38.8Very low39.5Very low179 Ų179155.4 Ų155.484%0.83678%0.775SS**  trans-117.178.2158.8-76-159-175.700109.4D440D440-E442 PolarHBondContact O-N 3.37Å; D440-E442 VanDerWaalsContact O-N 3.12Å
443S36.5Very low39.4Very low99 Ų99152 Ų15269%0.69277%0.769SS**  trans-125.4133.9157.8-1780000105.6
444D39.8Very low39.2Very low135 Ų135155.9 Ų155.972%0.72277%0.772SS**  trans119.825.9168.1-54.5-5.9000116.9
445E38.5Very low39.1Very low147 Ų147155.4 Ų155.469%0.68777%0.77SS**  trans-101.512.2162.8-69.1-166.1-178.300113.9
446E38.1Very low38.7Very low139 Ų139157.1 Ų157.165%0.6577%0.768SS**SBendtrans-98.57.7175.8-64.9-149.417600114.3R299R299-E446 IonicContact CZ-OE1 3.81Å; R299-E446 IonicContact CZ-OE2 3.86Å; R299-E446 IonicContact NH1-OE1 2.9Å; R299-E446 PolarHBondContact NH1-OE1 3.14Å; R299-E446 IonicContact NH1-OE2 3.93Å; R299-E446 PolarHBondContact NH1-OE2 3.36Å; R299-E446 IonicContact NH2-OE2 3.95Å
447E37.1Very low38.4Very low161 Ų161158.6 Ų158.675%0.75277%0.77SS**SBendtrans-111.9-11.3174-69.1-172.617200114.4
448E35Very low37.9Very low145 Ų145156.2 Ų156.268%0.67877%0.769SS**THydrogen-bonded Turntrans-87.3-10.7178.2-68.7-170172.900114.5E450E448-E450 VanDerWaalsContact C-N 3.32Å
449E36.5Very low37.3Very low115 Ų115153.8 Ų153.854%0.53777%0.768SS.*THydrogen-bonded Turntrans-82.7-5173.2-75.4-175-167.800112.4R270 K295R270-E449 IonicContact NH2-OE1 3.47Å; R270-E449 IonicContact NH2-OE2 2.62Å; R270-E449 PolarHBondContact NH2-OE2 2.97Å; K295-E449 IonicContact NZ-OE1 2.74Å; K295-E449 PolarHBondContact NZ-OE1 2.95Å
450E35.2Very low37.4Very low167 Ų167152.8 Ų152.878%0.7876%0.763SS**THydrogen-bonded Turntrans-104-13.8174.8-68.5-167.7175.700114E448E448-E450 VanDerWaalsContact C-N 3.32Å
451E34.8Very low37.5Very low154 Ų154150.5 Ų150.572%0.7276%0.758SS**THydrogen-bonded Turntrans-93.1-13.6179.2-68.2-168.7166.500114.5E453E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 3.34Å
452E36Very low37.9Very low180 Ų180150 Ų15084%0.84176%0.756SS**THydrogen-bonded Turntrans-82.5-2.8174.5-72.7-168.516600113.9
453E36.6Very low38.3Very low180 Ų180149 Ų14984%0.84175%0.752SS**THydrogen-bonded Turntrans-94.60.3176.4-69.4-163.9171.900114.1E451E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 3.34Å
454E36Very low38.9Very low171 Ų171150.2 Ų150.280%0.79975%0.746SS**SBendtrans-110.74.6-177.7-69.1-164.1162.400116.1
455E37.2Very low39.1Very low184 Ų184151.5 Ų151.586%0.8675%0.748SS**SBendtrans-107.59.6-177.6-77-161.6160.600117.1
456E36.7Very low39.7Very low168 Ų168151.4 Ų151.479%0.78575%0.752SS**SBendtrans-103.418.6174.6-72.8-10116600114.2K721E456-K721 IonicContact OE1-NZ 2.94Å; E456-K721 IonicContact OE2-NZ 3.27Å; E456-K721 PolarHBondContact OE2-NZ 2.93Å
457E35.2Very low40.3Very low184 Ų184151 Ų15186%0.8675%0.754SS**SBendtrans-115.151179.6-80.3-92.8171.700112.2
458A32.8Very low40.8Very low83 Ų83148.9 Ų148.969%0.68674%0.744SS**  trans-168.182.9169.100000113.3
459T33.8Very low41.4Very low147 Ų147149.9 Ų149.990%0.90275%0.748SS**  trans170.989146.539.50000111
460D44.6Very low42.2Very low132 Ų132152.6 Ų152.671%0.70676%0.763SS**  trans-158.467.1151.8-158.713.6000109
461S47.1Very low42.8Very low103 Ų103150.3 Ų150.372%0.7275%0.753SS**  trans-108.821.4-172.3690000114
462E49Very low43.1Very low178 Ų178151.8 Ų151.883%0.83276%0.76SS**SBendtrans-122.12.5-172.7-57.2-167.4-164.800114.6
463E48Very low43.2Very low157 Ų157147.2 Ų147.273%0.73476%0.76SS**SBendtrans-127.67.5175.3-65.4-170.2-178.300114.4
464E48.5Very low43.2Very low124 Ų124147.6 Ų147.658%0.57976%0.762SS**G310 helixtrans-80.3-14.2178.8-68.2-156.8137.200114.3D466 L467 E468E464-D466 PolarHBondContact O-N 2.89Å; E464-D466 VanDerWaalsContact O-N 3.11Å; E464-L467 PolarHBondContact O-N 3.03Å; E464-E468 WeakPolarHBondContact O-CG 3.42Å; E464-E468 PolarHBondContact O-N 3.31Å
465E45.2Very low43.4Very low163 Ų163148.1 Ų148.176%0.76277%0.765SS**G310 helixtrans-65.2-18.9-175.9-67.3-172.9166.100114.3
466D51Low43.4Very low144 Ų144146.7 Ų146.777%0.7776%0.763SS**G310 helixtrans-93.3-5.1-176.3-150.930.8000113.6E464E464-D466 PolarHBondContact O-N 2.89Å; E464-D466 VanDerWaalsContact O-N 3.11Å
467L50.5Low43.6Very low132 Ų132147 Ų14769%0.69177%0.77SS**THydrogen-bonded Turntrans-120.3-11.3179.8-70.3174.6000114.1E464E464-L467 PolarHBondContact O-N 3.03Å
468E47.6Very low43.8Very low115 Ų115146.9 Ų146.954%0.53777%0.77SS.*G310 helixtrans-77.4-18.4177.3-71.3-171.9151.700113.6E464 M470 Q471E464-E468 WeakPolarHBondContact O-CG 3.42Å; E464-E468 PolarHBondContact O-N 3.31Å; E468-M470 PolarHBondContact O-N 3.06Å; E468-Q471 PolarHBondContact O-N 3.19Å
469Q47.9Very low44.2Very low166 Ų166151.4 Ų151.478%0.77678%0.776SS**G310 helixtrans-71.51.9177.9-70.9-17722.200115.4
470M51.7Low44.6Very low172 Ų172154 Ų15485%0.84778%0.778SS**G310 helixtrans-105.57172.8-64.6-130.7-53.800114.1E468E468-M470 PolarHBondContact O-N 3.06Å
471Q48.4Very low44.3Very low120 Ų120154.2 Ų154.256%0.56178%0.78SS**SBendtrans-109.51.2178.2-97.4165.797.300114.6R238 E468R238-Q471 VanDerWaalsContact NH2-OE1 3.13Å; E468-Q471 PolarHBondContact O-N 3.19Å
472E41.7Very low43.9Very low185 Ų185157.7 Ų157.786%0.86478%0.784SS**  trans-113.693173.1-67.2-174164.400110.3
473G38.7Very low43.4Very low83 Ų83158.2 Ų158.286%0.85679%0.787SS**  trans-173.234.1179.100000112.7
474Q35.9Very low43Very low189 Ų189159.5 Ų159.588%0.88379%0.793SS**  trans-129.869.4-179.6-166.9176.1-31.100109.8
475E39.1Very low42.4Very low182 Ų182162.5 Ų162.585%0.8581%0.807SS**  trans-142.4138.2157.2-64.6-170.5165.300107.2
476D37.2Very low42.1Very low154 Ų154159.4 Ų159.482%0.82481%0.809SS**  trans82.491.7170.7-53.7-19.2000119.6
477D41.5Very low41.5Very low174 Ų174156.7 Ų156.793%0.9381%0.807SS**  trans-165.484.5134.2-104.6-19.2000109.2
478E39.3Very low41Very low182 Ų182155.4 Ų155.485%0.8582%0.815SS**  trans-107.5145.4158.8-70.9-171.2168.500108.4
479E41.6Very low40.5Very low177 Ų177153.5 Ų153.583%0.82783%0.827SS**  trans89.1104.3170.3-51.2-157.6-177.100118.9
480E42.2Very low40.3Very low201 Ų201155.5 Ų155.594%0.93983%0.833SS**  -164.6123.8111-102.8179.6-170.300110.9
481D38.7Very low39.7Very low138 Ų138155 Ų15574%0.73883%0.833SS**  trans-82.3154.3-170.4-84-45.3000115
482E37.2Very low39.4Very low175 Ų175152.7 Ų152.782%0.81884%0.842SS**  trans47.7120138.2-60.1-177.3175.100121.6
483E40.3Very low39.3Very low189 Ų189150.4 Ų150.488%0.88384%0.836SS**  trans-154.2105.5131.2-111.9179.2-154.100112.8
484E38.9Very low39.4Very low185 Ų185154.6 Ų154.686%0.86483%0.83SS**  trans61108.7139.6-65.4-165.1153.600124.5
485E35.5Very low39.5Very low186 Ų186151.4 Ų151.487%0.86983%0.829SS**  trans-47.1136.7146.1-77.1-89.8163.500115.6
486A39Very low40Very low98 Ų98148.2 Ų148.281%0.8182%0.824SS**  trans-15396.2148.600000113.5
487A39.4Very low40.1Very low87 Ų87149.2 Ų149.272%0.71983%0.826SS**  71.599.5128.200000121.3
488A38.6Very low40.1Very low106 Ų106145.8 Ų145.888%0.87682%0.815SS**  59.2105114.200000121
489G37.6Very low40.1Very low75 Ų75142.4 Ų142.477%0.77381%0.812SS**  94.8109.6113.900000118.8
490K44.1Very low39.7Very low208 Ų208141.5 Ų141.590%0.90481%0.812SS**  177.6147.1109.9-109.1175.1173.1173.30113.4
491D39.9Very low39.4Very low161 Ų161140 Ų14086%0.86181%0.805SS**  trans-42.9156.4177.3-60-72.2000118.1
492G40.4Very low39.2Very low71 Ų71140 Ų14073%0.73280%0.803SS**  trans143.478.4137.500000118.4
493D39.3Very low39.3Very low138 Ų138136.7 Ų136.774%0.73880%0.799SS**  61.7139.4125.1-147.118.7000122.7
494K41.8Very low39Very low171 Ų171134.8 Ų134.874%0.74380%0.795SS**  trans82.195.9158.6-71.8164-174.2167.40122
495S38.3Very low39Very low122 Ų122132.4 Ų132.485%0.85378%0.784SS**  44.7153.8110.1-79.80000123.3
496P49Very low39.2Very low115 Ų115131 Ų13175%0.74778%0.775SS**  trans-111.3176.7-133.742.1-34.7000114.4
497M40.5Very low39.3Very low175 Ų175132.4 Ų132.486%0.86277%0.769SS**  trans-169.2132.1157.5-99.8-104.1-137.800114.4
498S40.4Very low39.2Very low101 Ų101135.2 Ų135.271%0.70677%0.771SS**  trans65.2144.2137.669.40000119.8
499S39.1Very low39.1Very low112 Ų112138.6 Ų138.678%0.78377%0.769SS**  cis-169.7145.625.2-12.50000110.6
500L33.9Very low39.5Very low157 Ų157140.1 Ų140.182%0.82277%0.765SS**  trans-67.6158.1159.3-76.4115000112.2
501Q35.6Very low39.3Very low170 Ų170133.6 Ų133.679%0.79476%0.757SS**  155.2111.8127.4-83.4-173.7-64.300110.7
502I35.5Very low39.2Very low139 Ų139135 Ų13571%0.71376%0.755SS**  84.813986.4-70.3170.6000114.3
503S38.3Very low39.1Very low105 Ų105138.7 Ų138.773%0.73475%0.753SS**  trans100.796.4150.549.80000121.9
504N34.5Very low39.2Very low148 Ų148138.3 Ų138.379%0.79175%0.75SS**  47.5135.9110.3-88.12.2000124
505E37.8Very low39Very low135 Ų135134.6 Ų134.663%0.63175%0.745SS**  trans100.7119.1130.7-88.3-174.8102.700122.2
506K40.7Very low39Very low157 Ų157139.2 Ų139.268%0.68374%0.744SS**  84.8116.7128.6-83177.9178.2156.10121.7
507N39.9Very low38.6Very low127 Ų127139.2 Ų139.268%0.67975%0.747SS**  101.8125.8118.6-82.1-30000121.9
508L37.7Very low38.6Very low146 Ų146136.6 Ų136.676%0.76475%0.746SS**  trans71106.3141-84.982.8000121.7
509E36.7Very low38.6Very low178 Ų178135 Ų13583%0.83275%0.745SS**  36.5165.1113.8-94.9-135.8135.300121.9
510P46.7Very low38.6Very low106 Ų106138.1 Ų138.169%0.68875%0.748SS**  cis-140.5179.7-48.538.3-19.3000113.2
511G38.4Very low38.9Very low71 Ų71137.6 Ų137.673%0.73274%0.741SS**  trans135.9139.5142.600000120.5
512K38.9Very low39.2Very low190 Ų190137 Ų13783%0.82674%0.738SS**  trans79.9136.5155.7-71.3-177.6174.5177.60116.9
513Q38.5Very low39.2Very low149 Ų149137 Ų13770%0.69674%0.74SS**  cis-178.6159.37.3-129179.3-34.400110
514I40.2Very low39.4Very low130 Ų130142 Ų14267%0.66775%0.748SS**  trans95.6106.2140.2-67.6158000120.8
515S38.4Very low39.4Very low93 Ų93138.4 Ų138.465%0.6575%0.746SS**  76.9144.1127.7-66.50000120.8
516R39.2Very low39.1Very low220 Ų220142.5 Ų142.583%0.8376%0.756SS**  cis-175.2140.921.4-116.7162.6-165-163.81.2111.4
517S39.6Very low39Very low114 Ų114142.9 Ų142.980%0.79776%0.763SS**  trans53.6151.6141.1570000122.4
518S39.8Very low38.8Very low120 Ų120141.3 Ų141.384%0.83976%0.758SS**  cis176.9156.8-3.8175.80000109.7
519G41.2Very low38.8Very low68 Ų68140 Ų14070%0.70176%0.762SS**  trans119.498.4158.700000114.3
520E39.4Very low38.9Very low177 Ų177137.1 Ų137.183%0.82776%0.758SS**  76.6108.554.6-155.5179.4148.500114.4
521Q40.9Very low38.2Very low147 Ų147137.5 Ų137.569%0.68776%0.763SS**  170.5127.6120.3-92.4-172.610.700114.6
522Q40.3Very low38.3Very low156 Ų156142.6 Ų142.673%0.72977%0.773SS**  trans65149.1134.8-64-177.67.900120.4
523N36.2Very low38.2Very low140 Ų140141.3 Ų141.375%0.74977%0.774SS**  cis167.9153.1-23.5-114-24.4000105.5
524K41.8Very low38.3Very low211 Ų211139.8 Ų139.892%0.91778%0.78SS**  trans86.2136.6169.2-60.3160.5174.2173.10115.9
525G35.1Very low38.4Very low72 Ų72141.8 Ų141.874%0.74279%0.786SS**  cis162.8119.81.600000111.2
526R32.2Very low38.5Very low220 Ų220145.1 Ų145.183%0.8379%0.792SS**  trans38.2121.2133.9-175-177.1172.3-172-2.1121.3V528R526-V528 HydrophobicContact CG-CG2 3.97Å
527I38Very low38.6Very low165 Ų165138.8 Ų138.885%0.84678%0.779SS**  trans-156.8100.2140.5-55.7-175.9000106.2
528V36.1Very low38.7Very low94 Ų94141 Ų14157%0.5778%0.781SS**  45.9113.778.5-171.10000117.1R526R526-V528 HydrophobicContact CG-CG2 3.97Å
529S37.4Very low38.8Very low120 Ų120139.7 Ų139.784%0.83978%0.777SS**  trans-152.9127.1144.2-74.70000109.9
530P39.6Very low38.8Very low117 Ų117142.4 Ų142.476%0.7678%0.783SS**  trans-107170-175.339.5-31.5000114.4
531S30.3Very low39Very low113 Ų113139.3 Ų139.379%0.7978%0.781SS**  trans-48.4151.6-180-44.70000117.9
532L41.6Very low38.9Very low178 Ų178137.5 Ų137.593%0.93278%0.784SS**  trans-133.6136156.7-76.2177.3000111.7
533L37Very low39.4Very low164 Ų164137.6 Ų137.686%0.85979%0.788SS**  trans-83.5152.4-178.9-71.7151.5000112.6
534S40.6Very low39.6Very low116 Ų116138.2 Ų138.281%0.81179%0.792SS**  trans-170.3100.2147.9-720000107.7
535E40.9Very low40Very low173 Ų173133.1 Ų133.181%0.80879%0.789SS**  58.79899.8-72.5-159.6142.200114.3
536E41.3Very low40.3Very low163 Ų163139 Ų13976%0.76280%0.797SS**  89160.1100.9-124.6-160.9108.200112.1
537P41.5Very low40.9Very low87 Ų87134.3 Ų134.357%0.56580%0.797SS**  cis-147.5166.9-3.146.4-27.8000118.6
538L42.3Very low41.1Very low159 Ų159134.4 Ų134.483%0.83280%0.8SS**  trans71.7137.5147-61.7153.4000119.5
539A40.5Very low41.2Very low93 Ų93133.2 Ų133.277%0.76981%0.806SS**  cis-159.3161.820.100000112.9
540P42.5Very low41.3Very low125 Ų125137 Ų13781%0.81281%0.811SS**  trans-119.6161.4-172.640.1-26.8000116.1
541S42.9Very low40.9Very low112 Ų112140.2 Ų140.278%0.78382%0.816SS**  trans-166.3107.5151.7600000109.9
542S39.2Very low41.1Very low110 Ų110139.6 Ų139.677%0.76981%0.809SS**  77.3106.597.1174.60000114.4
543I50.6Low40.7Very low157 Ų157139 Ų13981%0.80580%0.802SS**  178.6144.599.2-143.9152.4000111.7
544D40.1Very low40.4Very low154 Ų154139.8 Ų139.882%0.82480%0.801SS**  trans-75.6150.6-170.3-51.9-83.7000115.8
545A51.1Low40Very low103 Ų103140.9 Ų140.985%0.85180%0.797SS**  trans-170.7126.3135.800000111.8
546E40.8Very low39.3Very low197 Ų197137.7 Ų137.792%0.92179%0.79SS**  trans-69.7144.1-177.4-57.4166.8101.400113.7
547S45Very low39Very low120 Ų120136.6 Ų136.684%0.83979%0.788SS**  trans-170.8127.5131.7-173.60000111.6
548N42.3Very low38.5Very low167 Ų167140.8 Ų140.889%0.89380%0.8SS**  trans-60.3154.1177.6-67.9-64.8000114.6
549G38Very low38.2Very low69 Ų69141.8 Ų141.871%0.71180%0.801SS**  trans147.691.5146.600000117.2
550E38.5Very low37.9Very low199 Ų199146 Ų14693%0.9380%0.804SS**  trans73.8105.6145.2-58.3-177.4136.900120.5
551Q31.2Very low37.4Very low185 Ų185144.9 Ų144.986%0.86480%0.8SS**  trans-65.6161.7151.9-102.4-158.10.600110.8
552P35.7Very low37.6Very low101 Ų101145.4 Ų145.466%0.65680%0.801SS**  -150.7176.150.641.4-19.8000118.3
553E33.2Very low37.5Very low165 Ų165145.8 Ų145.877%0.77180%0.798SS**  trans80.279.1150.6-77.7164.6-161.700118.6L555E553-L555 PolarHBondContact O-N 3.42Å
554E29.6Very low36.7Very low180 Ų180143.5 Ų143.584%0.84180%0.796SS**  trans-60.6103.3143.9-173170.4-166.900109.4T556E554-T556 PolarHBondContact O-N 2.97Å
555L32.3Very low36.5Very low139 Ų139144 Ų14473%0.72879%0.793SS**  trans-85.490.1163-90.3163.2000108.3E553 L557E553-L555 PolarHBondContact O-N 3.42Å; L555-L557 PolarHBondContact O-N 3.13Å; L555-L557 VanDerWaalsContact O-N 3.14Å
556T26.9Very low35.9Very low107 Ų107146.6 Ų146.666%0.65679%0.792SS**  trans-60.2100149.2400000108.2E554 E558E554-T556 PolarHBondContact O-N 2.97Å; T556-E558 PolarHBondContact O-N 3.07Å
557L33.9Very low35.5Very low140 Ų140145.4 Ų145.473%0.73378%0.784SS**  trans-8991.4159.6-78173.7000107.7L555 E559L555-L557 PolarHBondContact O-N 3.13Å; L555-L557 VanDerWaalsContact O-N 3.14Å; L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 3.02Å; L557-E559 VanDerWaalsContact O-N 3.13Å
558E31.5Very low35.2Very low174 Ų174146.5 Ų146.581%0.81378%0.776SS**  trans-59.795.8146-63.7-93.5132.800106.2T556 E560T556-E558 PolarHBondContact O-N 3.07Å; E558-E560 PolarHBondContact O-N 2.88Å
559E36.2Very low35.1Very low181 Ų181146.1 Ų146.185%0.84677%0.773SS**  trans-84.5101.4158.6-82.3-144.2137.100107.8L557 S561L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 3.02Å; L557-E559 VanDerWaalsContact O-N 3.13Å; E559-S561 PolarHBondContact O-N 3.44Å
560E35.3Very low35Very low180 Ų180150.5 Ų150.584%0.84178%0.775SS**  trans-51.2116.6163.1-73.8177127.600109.8E558 P562E558-E560 PolarHBondContact O-N 2.88Å; E560-P562 WeakPolarHBondContact O-CD 3.41Å
561S31.9Very low35.4Very low103 Ų103148.6 Ų148.672%0.7277%0.77SS**  trans-47.4124.2164.31740000111.6E559 V563E559-S561 PolarHBondContact O-N 3.44Å; S561-V563 PolarHBondContact O-N 3.47Å
562P45.5Very low35.7Very low123 Ų123147.9 Ų147.980%0.79977%0.766SS**  trans-79102.715730-26000108.3E560 S564E560-P562 WeakPolarHBondContact O-CD 3.41Å; P562-S564 PolarHBondContact O-N 3Å
563V37.1Very low35.7Very low118 Ų118147.9 Ų147.972%0.71577%0.774SS**  trans-10.2117.7151.3173.30000114.6S561S561-V563 PolarHBondContact O-N 3.47Å
564S35.5Very low36.1Very low109 Ų109147.2 Ų147.276%0.76278%0.776SS**  trans17.1103.3140.6-500000117.6P562P562-S564 PolarHBondContact O-N 3Å
565Q36Very low36.5Very low165 Ų165144.2 Ų144.277%0.77177%0.771SS**  trans-118.894.8149-77.2-179.11000108.4F567Q565-F567 PolarHBondContact O-N 3.47Å; Q565-F567 VanDerWaalsContact O-N 3.13Å
566L36.9Very low36.7Very low156 Ų156145.1 Ų145.182%0.81778%0.776SS**  trans-52.2107.8155.9-90.5157.8000107.5E568L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 2.62Å
567F34Very low37.6Very low172 Ų172148.1 Ų148.175%0.75479%0.788SS**  trans-86.178159.4-99.7-94.8000107Q565 L569Q565-F567 PolarHBondContact O-N 3.47Å; Q565-F567 VanDerWaalsContact O-N 3.13Å; F567-L569 PolarHBondContact O-N 3.07Å
568E38.8Very low37.5Very low143 Ų143146.8 Ų146.867%0.66879%0.786SS**  trans-68.7112.5150.1-85.2174.5150.300105.8L566 E570L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 2.62Å; E568-E570 PolarHBondContact O-N 3.02Å
569L39.8Very low37.7Very low159 Ų159144.4 Ų144.483%0.83279%0.786SS**  trans-72.875.7160.9-81.3166.7000107F567 I571F567-L569 PolarHBondContact O-N 3.07Å; L569-I571 PolarHBondContact O-N 3.04Å
570E36.3Very low37.7Very low161 Ų161140.8 Ų140.875%0.75278%0.781SS**  trans-73.5105.3165.7-142.6174.7-167.600106.1E568 E572E568-E570 PolarHBondContact O-N 3.02Å; E570-E572 PolarHBondContact O-N 2.98Å; E570-E572 VanDerWaalsContact O-N 3.11Å
571I46.5Very low37.8Very low160 Ų160137.2 Ų137.282%0.82178%0.775SS**  trans-69.2107.1168.9-63.6173.6000105.5L569 A573L569-I571 PolarHBondContact O-N 3.04Å; I571-A573 PolarHBondContact O-N 3.11Å
572E37.5Very low38.3Very low170 Ų170138.8 Ų138.879%0.79478%0.78SS**  trans-51.3106.8177.8-73.5-179.6148.800110.8E570 L574E570-E572 PolarHBondContact O-N 2.98Å; E570-E572 VanDerWaalsContact O-N 3.11Å; E572-L574 PolarHBondContact O-N 3.31Å
573A35.4Very low38Very low100 Ų100141 Ų14183%0.82678%0.78SS**  trans-71.3109159.600000108.3I571I571-A573 PolarHBondContact O-N 3.11Å
574L40.7Very low38.4Very low152 Ų152142.3 Ų142.380%0.79679%0.789SS**PPolyproline II helixtrans-71.2151.3174.6-73.2173.2000111.7E572E572-L574 PolarHBondContact O-N 3.31Å
575P39.3Very low38.5Very low116 Ų116143.3 Ų143.375%0.75379%0.785SS**PPolyproline II helixtrans-80.3142.2-159.1-9.527.6000114.1D577P575-D577 PolarHBondContact O-N 3.21Å
576L36.2Very low38.9Very low159 Ų159143.9 Ų143.983%0.83279%0.792SS**PPolyproline II helixtrans-66.8116.4171.6-134.180.5000111.3
577D45.3Very low39Very low169 Ų169141.7 Ų141.790%0.90479%0.789SS**  trans-97.6101160.7-88.5-30.4000109.6P575P575-D577 PolarHBondContact O-N 3.21Å
578T32.1Very low39.3Very low112 Ų112139.4 Ų139.469%0.68780%0.795SS**  trans-87146.9158.931.10000109.4
579P36.5Very low39.4Very low124 Ų124138 Ų13881%0.80580%0.801SS**  -153.317267.537.9-16.5000117.8
580S35.9Very low39.4Very low106 Ų106141.6 Ų141.674%0.74180%0.803SS**  trans113.3106.7141.1174.20000119.2
581S36.6Very low39.5Very low104 Ų104143.2 Ų143.273%0.72781%0.808SS**  trans66.8135141.6-99.10000118.2
582V41.9Very low39.2Very low136 Ų136145.2 Ų145.282%0.82481%0.813SS**  cis-163.5154.529.1-104.70000109.7
583E40.7Very low39.3Very low169 Ų169142.4 Ų142.479%0.7981%0.813SS**  trans-47.4148-176.9-50.4-174.4132.900118
584T44.7Very low39.6Very low147 Ų147146.7 Ų146.790%0.90282%0.816SS**  -158.3120.8119.4-24.20000111.7
585D38.3Very low39.3Very low130 Ų130148.8 Ų148.870%0.69582%0.822SS**  trans-64.7147.2176.1-72.7-54.3000114.5
586I44.4Very low39.3Very low177 Ų177147.8 Ų147.891%0.90882%0.815SS**  -158.2125.2126.635.4168.5000111.1
587S37.2Very low39.2Very low109 Ų109149.2 Ų149.276%0.76282%0.815SS**  trans-76.4154.3-176-40.40000114.7
588S41Very low38.7Very low125 Ų125147.8 Ų147.887%0.87481%0.812SS**  -164.9116.5129.3-1780000112.3
589S40.6Very low39Very low112 Ų112148.4 Ų148.478%0.78382%0.816SS**  trans-88.1141.5178.5-33.80000111.6
590R39.4Very low39.2Very low236 Ų236149.3 Ų149.389%0.89182%0.819SS**  trans-153.997.6150.6-159.9169.5-178.3-160.1-1.7114.2
591K40.3Very low39.5Very low195 Ų195151.3 Ų151.385%0.84882%0.821SS**  trans38.6102.9135.1-66.8-179174.3-177.30118.5
592Q38.7Very low39.8Very low201 Ų201153.6 Ų153.694%0.93982%0.82SS**  trans-71.1133.3139.8-75.4176.1-26.200109
593S41Very low39.8Very low112 Ų112154 Ų15478%0.78382%0.817SS**  trans-117.6124.4166.350.70000108.2
594E40.5Very low39.6Very low189 Ų189149.3 Ų149.388%0.88382%0.815SS**  trans-56.8143.4167.2-57.6169.7139.800111
595E35.5Very low39.4Very low197 Ų197147.7 Ų147.792%0.92182%0.816SS**  trans-146.8111.7151.8-142.1172.8-146.900109
596P38Very low39.5Very low94 Ų94144.9 Ų144.961%0.6182%0.818SS**  trans-106.1152.7167.938.8-30000111
597F34.5Very low39.2Very low190 Ų190145 Ų14583%0.83382%0.817SS**  trans64.4112.2165.6-57.1-75.2000119
598T35.9Very low39.3Very low138 Ų138146.7 Ų146.785%0.84782%0.822SS**  trans-136.3106.2136.342.30000110.5
599T37.1Very low38.9Very low126 Ų126145.4 Ų145.477%0.77381%0.813SS**  trans-58.8133.6156.734.50000110.4
600V40.5Very low38.9Very low143 Ų143145.4 Ų145.487%0.86781%0.813SS**  trans-115.7111.1159.21740000108.2
601L41.8Very low38.9Very low148 Ų148139.9 Ų139.978%0.77581%0.806SS**  trans-69.9142.5167.2-135.785.4000109.4
602E43.7Very low39Very low152 Ų152136 Ų13671%0.7180%0.803SS**  152123.2121.5-101.8-170.9108.300113.3
603N41.4Very low39Very low143 Ų143135.4 Ų135.477%0.76580%0.798SS**  trans71.3125141.3-52.4-18.7000118
604G37.9Very low39.1Very low72 Ų72137.1 Ų137.174%0.74280%0.798SS**  cis167.9161.46.800000109.8
605A39.8Very low39.1Very low113 Ų113131.4 Ų131.493%0.93479%0.79SS**  trans62.7132.7165.300000117.8
606G40Very low39.2Very low71 Ų71125.6 Ų125.673%0.73278%0.783SS**  cis-169.9152.36.400000109.9
607M39.3Very low39.4Very low180 Ų180128.3 Ų128.389%0.88780%0.798SS**  trans-65.4137.9174.7-64.6162.563.900110.8
608V39.3Very low39.4Very low144 Ų144124.3 Ų124.387%0.87379%0.794SS**  trans-130.3102.7155.5-95.90000109
609S32.5Very low40.1Very low97 Ų97122.6 Ų122.668%0.67879%0.785SS**  trans-78.7139.8152.9-63.40000109.3
610S40Very low40.1Very low112 Ų112125.1 Ų125.178%0.78379%0.787SS**  trans-16789.2152.9-72.30000106.7
611T39.7Very low40.1Very low120 Ų120124.2 Ų124.274%0.73678%0.778SS**  51.3113.985.867.20000116.7
612S41.1Very low39.9Very low113 Ų113128 Ų12879%0.7978%0.782SS**  trans71.7150.3142.686.80000116.9
613F39.7Very low39.6Very low189 Ų189124.2 Ų124.283%0.82978%0.783SS**  cis-166.3143.429.5-178-125.2000109.1
614N43.4Very low39.4Very low148 Ų148125 Ų12579%0.79179%0.788SS**  trans-53.7145.9158.6-85.9-16.5000111.1
615G40.4Very low39.5Very low69 Ų69127.5 Ų127.571%0.71179%0.793SS**  trans16783.4161.800000113.5
616G37.9Very low39.4Very low76 Ų76125.4 Ų125.478%0.78478%0.783SS**  trans-68.2144164.500000111.2
617V41.7Very low40.3Very low150 Ų150128.1 Ų128.191%0.90979%0.788SS**  trans-164.2116.7147.3-102.80000109.3
618S34.4Very low40.6Very low107 Ų107125.3 Ų125.375%0.74878%0.783SS**  trans-60.3169148.2-153.30000108.9
619P49.6Very low40.6Very low102 Ų102124.5 Ų124.566%0.66278%0.783SS**  cis-146.9176.817.638.6-15.7000116.9
620H37.5Very low41.7Very low179 Ų179129.9 Ų129.983%0.82979%0.794SS**  trans38.7123.1146.8-77.1-67.9000120.6
621N40.6Very low41.7Very low124 Ų124134.4 Ų134.466%0.66380%0.799SS**  130.9139.7115-145.78.3000113.7
622W38.7Very low42Very low228 Ų228134.2 Ų134.286%0.86480%0.803SS**  trans85.1117.4166.4-55.795.3000120.1
623G37.2Very low42.2Very low72 Ų72139.1 Ų139.174%0.74280%0.804SS**  10679.4118.900000117.8
624D37.1Very low42.5Very low160 Ų160138.1 Ų138.186%0.85680%0.799SS**  27.9117124.4-148.112.1000118.6
625S39Very low42.3Very low123 Ų123138.6 Ų138.686%0.8680%0.797SS**  trans178.9106.8147.5-78.30000111.7
626G37.8Very low42.3Very low70 Ų70143 Ų14372%0.72280%0.796SS**  trans-81.8164.5163.700000112.6
627P58.5Low42.4Very low128 Ų128148.2 Ų148.283%0.83180%0.797SS**  trans-93.2159.3168.134.9-27.9000112.3
628P46.8Very low42.4Very low120 Ų120149.6 Ų149.678%0.77979%0.794SS**  trans-114.4158.2-133.838-29.6000116
629C40Very low42.5Very low128 Ų128151.4 Ų151.487%0.86580%0.801SS**  trans-58.8129.9164.4-670000112.3
630K54.4Low42.1Very low209 Ų209149.7 Ų149.791%0.90980%0.801SS**  trans-86.8104.2163.2-72.3-174.6177.9176.50110.2
631K39.9Very low42.2Very low207 Ų207147 Ų14790%0.980%0.803SS**  trans-128.4121.8155.5-76.4-173.6-179.61770109.5
632S46.8Very low42.2Very low116 Ų116144.7 Ų144.781%0.81181%0.808SS**  trans-149.9137.516639.20000104.9
633R44.5Very low42.5Very low217 Ų217139.3 Ų139.382%0.81980%0.802SS**  cis-178.1138.98.9159173.6-167.2-166.46.2105.9
634K45.5Very low42.8Very low167 Ų167143.6 Ų143.673%0.72681%0.807SS**  trans75.7108.3154.1-139.5167.9-175.9-176.50117.4
635E40.9Very low43.5Very low158 Ų158139.3 Ų139.374%0.73880%0.801SS**  45.3125.389.7-85.5-163.6117.700112.5
636K39.9Very low43.6Very low162 Ų162140.6 Ų140.670%0.70480%0.798SS**  cis-177.2137.944.7-156.8165.4-178.8166.80109.4
637K39.5Very low43.9Very low185 Ų185142 Ų14280%0.80480%0.797SS**  trans37.9119.7146.1-63.2-178.3176.1-171.60121.7
638Q40.9Very low43.1Very low179 Ų179145.3 Ų145.384%0.83679%0.794SS**  164.6109.9119.9-95.6176.1-3.700108.7
639T37.9Very low42.8Very low146 Ų146143.7 Ų143.790%0.89678%0.782SS**  64.5113.993.5-34.30000114.7
640G40.1Very low42.9Very low65 Ų65143.3 Ų143.367%0.6777%0.767SS**  trans140.588.6168.600000111.6
641S40.3Very low42.3Very low124 Ų124141.2 Ų141.287%0.86775%0.754SS**  77.8102.886.568.40000115.7
642G39.6Very low42Very low74 Ų74140.5 Ų140.576%0.76375%0.753SS**  trans86.4170.7150.200000118.9
643P45.1Very low41.7Very low115 Ų115144.8 Ų144.875%0.74775%0.752SS**  -141.1-175.3-56.237.3-18.8000113.6
644L44.5Very low41Very low162 Ų162140 Ų14085%0.84875%0.752SS**  trans91.5132149.7-64.5162000122.9
645G50.6Low40.7Very low70 Ų70138.1 Ų138.172%0.72275%0.754SS**  trans145.274.3160.800000113.6
646N42.5Very low40.6Very low150 Ų150138.2 Ų138.280%0.80275%0.754SS**  43.313895.4-71.37.7000115.9
647S44.2Very low40.6Very low99 Ų99136.8 Ų136.869%0.69275%0.75SS**  cis173.9151.2-12.454.10000109.6
648Y40.4Very low40.7Very low199 Ų199135.7 Ų135.778%0.7875%0.745SS**  trans77135.5140.2-132-114.2000119.6
649V42.2Very low40.7Very low86 Ų86135 Ų13552%0.52175%0.747SS.*  cis-172.6154.2-4.693.80000115.7
650E40.6Very low40.7Very low119 Ų119131.3 Ų131.356%0.55674%0.738SS**  trans53.7143.5135.1-104.1168116.900121.9
651R42.9Very low40.7Very low166 Ų166137.9 Ų137.963%0.62675%0.748SS**  cis-168.9133.628.3174.6173.4-77.4-165.3-1.7111.2
652Q32.9Very low40.7Very low191 Ų191141.3 Ų141.389%0.89375%0.748SS**  trans-85.8144.7157.6-86.5175-10.100110.6
653R39.8Very low40.8Very low206 Ų206145.4 Ų145.478%0.77775%0.75SS**  trans-146.5121.9152.7-86.2-167.4-169168.42.2111.7
654S30.4Very low40.5Very low116 Ų116145.7 Ų145.781%0.81175%0.754SS**  trans-89.2136.116049.50000110.9
655V40.4Very low40.1Very low128 Ų128143.9 Ų143.978%0.77675%0.75SS**  trans-152.9104.4159.4-177.50000106.7
656H38.1Very low39.7Very low161 Ų161148 Ų14875%0.74575%0.754SS**  68.1115.594.7-109-88.7000117.3
657E39.6Very low39.6Very low131 Ų131146.3 Ų146.361%0.61275%0.751SS**  trans83.9125.8132.7-97.4-178.411800124.1
658K42.4Very low39.4Very low163 Ų163146.9 Ų146.971%0.70976%0.755SS**  114.6103.3126.5-85.8168.3171132.10119.7
659N39.4Very low39.7Very low164 Ų164143 Ų14388%0.87776%0.755SS**  51.8120.4126.8-80.5-8.8000121.5
660G37.8Very low40Very low69 Ų69144.6 Ų144.671%0.71177%0.767SS**  130.4122.3104.500000119.5
661K41.7Very low40Very low202 Ų202144.3 Ų144.388%0.87878%0.778SS**  trans79.6105.9149.6-63.3169.3176.5177.20117.1
662K40Very low40.2Very low197 Ų197142 Ų14286%0.85778%0.784SS**  54.2118.281.6-70.6-167.8177.9-175.90114
663I41.8Very low40.6Very low159 Ų159141 Ų14182%0.81578%0.784SS**  168.2128.8115.3-84.1159.5000112.9
664C39Very low40.5Very low122 Ų122135.6 Ų135.682%0.82478%0.784SS**  trans74.3130145.7-73.10000126.4
665T35.1Very low40.7Very low124 Ų124135.1 Ų135.176%0.76178%0.78SS**  trans-79.3166.9176.4-34.90000114.6
666L42.3Very low40.8Very low155 Ų155137 Ų13781%0.81279%0.785SS**  trans117.4155.7149.2-64.1168.6000115.7
667P41.1Very low40.8Very low115 Ų115133.8 Ų133.875%0.74779%0.786SS**  -134.7176.2-79.932-8.4000113.9
668S40.1Very low40.8Very low111 Ų111133 Ų13378%0.77679%0.793SS**  trans-55161.8173.4-18.30000113.8
669P46.2Very low40.7Very low119 Ų119132.1 Ų132.177%0.77380%0.801SS**  -161.2-149.97139.7-14.4000114.1
670P49.2Very low40.9Very low118 Ų118129 Ų12977%0.76680%0.798SS**  -121.9170.4-5829.1-9.3000114
671S39Very low40.9Very low114 Ų114133.2 Ų133.280%0.79780%0.804SS**  trans-72.9163.8172.7-50.20000114.4
672P47.2Very low40.7Very low116 Ų116129.1 Ų129.175%0.75380%0.801SS**  -146.3142.2118.735.2-18.1000116.7
673L40.8Very low40.6Very low171 Ų171124.9 Ų124.990%0.89580%0.796SS**  trans42.2130.7135.8-69.9166.4000123.9
674A39.3Very low41Very low92 Ų92124 Ų12476%0.7680%0.798SS**  trans98.7106.7131.400000120.9
675S34.3Very low41.1Very low106 Ų106128.7 Ų128.774%0.74180%0.799SS**  67.4112.4128.3-149.20000120.4
676L41.8Very low41.6Very low168 Ų168129 Ų12988%0.8880%0.8SS**  160.5120.8118.3-80.8166.6000108.7
677A37.6Very low41.6Very low93 Ų93128.9 Ų128.977%0.76980%0.8SS**  trans-63.4159.5169.400000109.9
678P41.2Very low41.6Very low115 Ų115128.8 Ų128.875%0.74780%0.802SS**  -154.2173.656.743.7-21.7000117.5
679V39.8Very low42.2Very low144 Ų144129.7 Ų129.787%0.87381%0.805SS**  trans32.6118.3159.3-116.70000120.1
680A44.1Very low41.8Very low99 Ų99128.8 Ų128.882%0.81880%0.802SS**  trans-155.9127146.600000111.2
681D36.3Very low41.7Very low158 Ų158132.8 Ų132.885%0.84581%0.81SS**  trans-46.7142.5161.6-83.7-49.6000112.4
682S39Very low41.9Very low115 Ų115130.9 Ų130.980%0.80481%0.808SS**  trans-155.293.9151.9-80.50000111.1
683S37.6Very low41.7Very low109 Ų109133.2 Ų133.276%0.76281%0.814SS**  trans-46.4127.6153.1175.70000111.4
684T50Low41.5Very low139 Ų139131.8 Ų131.885%0.85381%0.812SS**  trans-128.6128.2159.748.20000109
685R41.9Very low41.3Very low222 Ų222133.3 Ų133.384%0.83881%0.812SS**  trans-90.8148.3-173.7-92.9-177.7160.2161.1-4.7111
686V45.7Very low41.5Very low129 Ų129133.7 Ų133.778%0.78282%0.815SS**  trans56.7120139.6-57.60000120.4
687D40.4Very low41.5Very low154 Ų154130.6 Ų130.682%0.82481%0.807SS**  -153.1132.9115.4-140.6-12000110.5
688S42.4Very low41.5Very low112 Ų112134.1 Ų134.178%0.78381%0.812SS**  trans-155.2120.2171.6-72.60000108.4
689P51.8Low41.4Very low130 Ų130134.5 Ų134.584%0.84482%0.816SS**  trans-87.3130.917620.1-8.5000111.8
690S38.2Very low41.5Very low100 Ų100135.3 Ų135.370%0.69981%0.813SS**  trans-68.1134.7173.951.50000114.1
691H47.5Very low41.5Very low202 Ų202136 Ų13694%0.93581%0.809SS**  trans-174.4138146.9-78-62.8000106.2
692G43.6Very low41.5Very low75 Ų75134 Ų13477%0.77381%0.808SS**  cis-169.3155.61.900000107.8
693L41.9Very low42.3Very low165 Ų165134.9 Ų134.986%0.86481%0.811SS**  trans-70.2129.8-175.3-62.7159.4000112.3
694V38.2Very low42.3Very low140 Ų140134 Ų13485%0.84881%0.81SS**  trans-144111.2144.2-178.10000108.9
695T33.9Very low41.6Very low124 Ų124138.7 Ų138.776%0.76181%0.812SS**  trans-90.4126.3171.1-49.70000108.6
696S37.9Very low41.5Very low115 Ų115136.3 Ų136.380%0.80482%0.815SS**  trans-139.498.6158.157.90000109
697S41.9Very low41.1Very low102 Ų102135.6 Ų135.671%0.71382%0.816SS**  trans-67132.6165.928.70000110.3
698L39.1Very low41Very low168 Ų168137.2 Ų137.288%0.8882%0.819SS**  trans-158.894.8150.8-101.1161.7000107.5
699C38.2Very low40.8Very low122 Ų122138.4 Ų138.482%0.82482%0.822SS**PPolyproline II helixtrans-61.1136.1165.3-64.60000109.6
700I42.4Very low40Very low161 Ų161137.8 Ų137.883%0.82682%0.817SS**PPolyproline II helixtrans-91.7125162.2-60.9172.9000106.4
701P44.3Very low40.1Very low113 Ų113141.6 Ų141.673%0.73482%0.824SS**PPolyproline II helixtrans-83.7129.4174.331.1-28.2000110.4
702S36.4Very low39.5Very low116 Ų116136.8 Ų136.881%0.81181%0.813SS**PPolyproline II helixtrans-65.2132.4161.7-51.50000109.5
703P55.1Low39.3Very low134 Ų134142.3 Ų142.387%0.8782%0.819SS**PPolyproline II helixtrans-85118.8172.730.9-27.3000110.2
704A38.2Very low39.1Very low91 Ų91139.2 Ų139.275%0.75281%0.808SS**PPolyproline II helixtrans-89.4129.8168.200000111.4
705R35.2Very low39.1Very low237 Ų237138.6 Ų138.689%0.89481%0.807SS**  trans68.3155.6144.1-68.2-169.9173.2-129.3-0.5122.1
706L38.5Very low39.5Very low172 Ų172144 Ų14490%0.90181%0.814SS**  trans95.3118.3179.4-59.9153.3000111.6
707S37.3Very low39.7Very low115 Ų115144.2 Ų144.280%0.80481%0.812SS**  cis-168.9158.723.840.20000110.7
708Q39Very low39.2Very low188 Ų188142.9 Ų142.988%0.87982%0.815SS**  trans-47.4140.3-178.7-58.3161.61900116.3
709T38.2Very low39.2Very low137 Ų137141 Ų14184%0.8481%0.811SS**  trans-158.9130.4141.6350000109.3
710P35.3Very low38.9Very low116 Ų116140.6 Ų140.675%0.75381%0.808SS**  trans-91.4130.8175.434.2-27.1000110
711H40.9Very low38.8Very low181 Ų181141.2 Ų141.284%0.83881%0.805SS**  trans-167102.1154.4-101.7-48.8000112.6
712S34.9Very low38.4Very low101 Ų101141.3 Ų141.371%0.70680%0.804SS**  trans20.7111.4131.254.10000119
713Q38Very low38.4Very low191 Ų191141.5 Ų141.589%0.89381%0.805SS**  trans-156.8157.9154.9-95-144.4-12.900111.7
714P38.8Very low37.7Very low99 Ų99139.2 Ų139.264%0.64379%0.788SS**PPolyproline II helix-89.8172.4-127.837.1-38.1000115.4R716P714-R716 PolarHBondContact O-N 3.05Å
715P37.2Very low37.6Very low128 Ų128138.6 Ų138.683%0.83178%0.783SS**PPolyproline II helixtrans-64.2131.8-175.127.8-34.9000110.7
716R43.3Very low37.9Very low236 Ų236131.7 Ų131.789%0.89177%0.767SS**PPolyproline II helixtrans-73.8135.9171.7-76.5-171173-171.7-0.6109.1P714P714-R716 PolarHBondContact O-N 3.05Å
717P40.9Very low37.7Very low120 Ų120131.4 Ų131.478%0.77976%0.762SS**PPolyproline II helixtrans-67.5137177.626.4-28.8000110T719P717-T719 PolarHBondContact O-N 3.29Å
718G33Very low37.6Very low75 Ų75131 Ų13177%0.77376%0.757SS**PPolyproline II helixtrans-53.6124.7-177.600000112.1C720G718-C720 PolarHBondContact O-N 3.15Å
719T37.4Very low37.8Very low129 Ų129126 Ų12679%0.79174%0.737SS**  trans-75.6104.317148.80000108.3P717 K721P717-T719 PolarHBondContact O-N 3.29Å; T719-K721 PolarHBondContact O-N 3.33Å; T719-K721 VanDerWaalsContact O-N 3.09Å
720C33.6Very low38.2Very low113 Ų113124.4 Ų124.476%0.76473%0.728SS**  trans-56114.4167.4-69.50000109.2G718 T722G718-C720 PolarHBondContact O-N 3.15Å; C720-T722 VanDerWaalsContact C-N 3.27Å; C720-T722 PolarHBondContact O-N 3.02Å
721K38.5Very low38.9Very low174 Ų174126.5 Ų126.576%0.75773%0.728SS**  trans-66.684.1170.9-68.4174.1179.1170.20108.3E456 T719 S723E456-K721 IonicContact OE1-NZ 2.94Å; E456-K721 IonicContact OE2-NZ 3.27Å; E456-K721 PolarHBondContact OE2-NZ 2.93Å; T719-K721 PolarHBondContact O-N 3.33Å; T719-K721 VanDerWaalsContact O-N 3.09Å; K721-S723 PolarHBondContact O-N 3.39Å
722T36.2Very low39.4Very low115 Ų115122.5 Ų122.571%0.70671%0.71SS**  trans-74.5110.8169.335.30000109.5C720 V724C720-T722 VanDerWaalsContact C-N 3.27Å; C720-T722 PolarHBondContact O-N 3.02Å; T722-V724 PolarHBondContact O-N 2.99Å
723S37Very low39.9Very low120 Ų120121.1 Ų121.184%0.83969%0.694SS**  trans-60.895.4164.5174.80000109.3K721K721-S723 PolarHBondContact O-N 3.39Å
724V40.4Very low40.1Very low85 Ų85117.8 Ų117.852%0.51568%0.681SS.*  trans-95.688.2170.6-178.70000107.4T722 Q727T722-V724 PolarHBondContact O-N 2.99Å; V724-Q727 HydrophobicContact CG1-CB 3.95Å
725A36.8Very low40.4Very low78 Ų78117.9 Ų117.965%0.64568%0.68SS**THydrogen-bonded Turntrans-72.9129.3150.600000106.5
726T41Very low40.6Very low93 Ų93116.3 Ų116.357%0.57166%0.663SS**THydrogen-bonded Turntrans88.939.6-172.5740000117.1
727Q34.5Very low40.3Very low166 Ų166109.7 Ų109.778%0.77665%0.653SS**  trans-91.397.7151-162.2166.3-0.600107.7V724 D729V724-Q727 HydrophobicContact CG1-CB 3.95Å; Q727-D729 PolarHBondContact O-N 3.16Å; Q727-D729 VanDerWaalsContact O-N 3.13Å
728C35.8Very low40Very low106 Ų106109.2 Ų109.272%0.71664%0.644SS**  trans-56.4116.5168.3-61.70000107.7P730C728-P730 WeakPolarHBondContact O-CD 3.47Å
729D41.3Very low40.3Very low84 Ų84110.6 Ų110.645%0.44964%0.642SS.*  trans-58.7122.5163.1-165-25.3000106.7Q727 E731 E732Q727-D729 PolarHBondContact O-N 3.16Å; Q727-D729 VanDerWaalsContact O-N 3.13Å; D729-E731 PolarHBondContact O-N 3.28Å; D729-E731 PolarHBondContact OD1-N 2.86Å; D729-E732 HydrophobicContact CB-CB 4.42Å; D729-E732 HydrophobicContact CB-CG 4.39Å; D729-E732 PolarHBondContact O-N 3.23Å
730P46.9Very low40.3Very low102 Ų102116.2 Ų116.266%0.66267%0.668SS**THydrogen-bonded Turntrans-58.9-9.6176.823.2-33.1000113.4C728C728-P730 WeakPolarHBondContact O-CD 3.47Å
731E51Low40.6Very low160 Ų160116.4 Ų116.475%0.74866%0.663SS**THydrogen-bonded Turntrans-91.1-14.4174-59.9-173.7175.800114.1D729 I733D729-E731 PolarHBondContact O-N 3.28Å; D729-E731 PolarHBondContact OD1-N 2.86Å; E731-I733 PolarHBondContact O-N 3.06Å
732E50.3Low40.8Very low97 Ų97113.4 Ų113.445%0.45366%0.658SS.*  trans-88.782.5174.4-79.4-166.6162.200111.1D729 I734D729-E732 HydrophobicContact CB-CB 4.42Å; D729-E732 HydrophobicContact CB-CG 4.39Å; D729-E732 PolarHBondContact O-N 3.23Å; E732-I734 PolarHBondContact O-N 3.08Å; E732-I734 VanDerWaalsContact O-N 3.17Å
733I45.7Very low41Very low72 Ų72113.3 Ų113.337%0.36966%0.655SS.*  trans-65.9112.5158.6-59.9168.8000106.3M369 E731 V735M369-I733 HydrophobicContact CE-CD1 3.85Å; M369-I733 HydrophobicContact SD-CD1 4.07Å; E731-I733 PolarHBondContact O-N 3.06Å; I733-V735 HydrophobicContact CB-CG2 4.3Å; I733-V735 HydrophobicContact CG2-CG2 3.78Å; I733-V735 PolarHBondContact O-N 3.46Å
734I43.7Very low41.2Very low122 Ų122112.9 Ų112.963%0.62664%0.644SS**  trans-62.192.2160.7-54.9175.2000106E732 L736E732-I734 PolarHBondContact O-N 3.08Å; E732-I734 VanDerWaalsContact O-N 3.17Å; I734-L736 HydrophobicContact CG2-CD2 4.03Å; I734-L736 HydrophobicContact CG2-CG 3.97Å; I734-L736 PolarHBondContact O-N 3.33Å
735V44Very low41.3Very low101 Ų101114.6 Ų114.661%0.61265%0.652SS**  trans-7588166.2-177.60000104.9I733 S737I733-V735 HydrophobicContact CB-CG2 4.3Å; I733-V735 HydrophobicContact CG2-CG2 3.78Å; I733-V735 PolarHBondContact O-N 3.46Å; V735-S737 VanDerWaalsContact C-N 3.25Å; V735-S737 PolarHBondContact O-N 3.45Å
736L40.6Very low41.6Very low94 Ų94117.1 Ų117.149%0.49265%0.653SS.*  trans-62.4102.3154.6-65.5172.9000104.7Y344 I734 D738Y344-L736 HydrophobicContact CE1-CD2 4.35Å; Y344-L736 WeakPolarHBondContact OH-CD1 3.32Å; Y344-L736 WeakPolarHBondContact OH-CD2 3.4Å; I734-L736 HydrophobicContact CG2-CD2 4.03Å; I734-L736 HydrophobicContact CG2-CG 3.97Å; I734-L736 PolarHBondContact O-N 3.33Å; L736-D738 PolarHBondContact O-N 3.22Å
737S37.3Very low41.6Very low97 Ų97118.8 Ų118.868%0.67866%0.659SS**  trans-61.588.9172.2-66.40000108.7V735 S739V735-S737 VanDerWaalsContact C-N 3.25Å; V735-S737 PolarHBondContact O-N 3.45Å; S737-S739 PolarHBondContact O-N 3.45Å
738D34.9Very low42.2Very low110 Ų110115.2 Ų115.259%0.58865%0.65SS**  trans-81.2100.2152.9-79.8-13.6000106.3L736L736-D738 PolarHBondContact O-N 3.22Å
739S38.7Very low42.7Very low104 Ų104115.9 Ų115.973%0.72764%0.644SS**  trans-137.2101.5168.9-550000106.8S737S737-S739 PolarHBondContact O-N 3.45Å
740D38.4Very low42.9Very low248 Ų248118.8 Ų118.8100%1.32666%0.662SS**  trans59.90177.7-69.2-18.9000120.3

Retrieved 740 of 740 residues in 1169.1 ms (Link to these results)