A0A061IQF5_CRIGR Loading...

Heart- and neural crest derivatives-expressed protein 2

AlphaFold DB (B3KV85), UniProt , Accession A0A061IQF5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 165 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
1M47.6Very low49.9Very low241 Ų241149.2 Ų149.2100%1.18785%0.85SS**  0118.30-82.797.6101.200108.7
2S45.7Very low49.7Very low118 Ų118154.7 Ų154.783%0.82585%0.849SS**PPolyproline II helixtrans-83.7141.8169.3-590000109.6
3P61.4Low49.4Very low119 Ų119150.7 Ų150.777%0.77384%0.839SS**PPolyproline II helixtrans-72.8147.1168.628.6-30.6000110.7
4P55.5Low49.5Very low126 Ų126145.9 Ų145.982%0.81882%0.818SS**PPolyproline II helixtrans-77.2141.5179.630.6-31.7000111.9
5D44.5Very low48.8Very low154 Ų154149.1 Ų149.182%0.82482%0.824SS**PPolyproline II helixtrans-58.2128167.3-99.7-63.2000111.3
6Y51.8Low48.2Very low227 Ų227151.9 Ų151.989%0.8982%0.82SS**  trans-116.579.5168.8-154.2-90.6000109.8
7S53.2Low47.8Very low94 Ų94149 Ų14966%0.65782%0.821SS**  trans-96.8129.217059.40000111
8M46.1Very low47.8Very low183 Ų183146.7 Ų146.790%0.90182%0.818SS**  trans64.6119.6161-77.8179.1167.600118.6
9A46.8Very low47.4Very low96 Ų96143.1 Ų143.179%0.79382%0.817SS**  174.9148.583.600000112.3
10L48.3Very low47Very low171 Ų171141.4 Ų141.490%0.89582%0.821SS**  trans-56.7134.4173.4-73.8116.1000113.5
11S47.7Very low46.9Very low112 Ų112139.9 Ų139.978%0.78383%0.825SS**  168.781.8119.560.60000111S13S11-S13 PolarHBondContact O-N 2.98Å
12Y47.8Very low46.5Very low215 Ų215132.3 Ų132.384%0.84381%0.809SS**  trans-7998.7162.4-177.8-101.3000107.8P14Y12-P14 HydrophobicContact CD1-CG 4.39Å; Y12-P14 HydrophobicContact CE1-CG 4.21Å
13S46.2Very low46.3Very low103 Ų103134.9 Ų134.972%0.7281%0.813SS**  trans-95.3112.9174.6-167.60000108.6S11S11-S13 PolarHBondContact O-N 2.98Å
14P51.1Low45.2Very low83 Ų83135.2 Ų135.254%0.53981%0.808SS.*  trans-73.7130.2177.5-9.325.5000110.2Y12 Y16Y12-P14 HydrophobicContact CD1-CG 4.39Å; Y12-P14 HydrophobicContact CE1-CG 4.21Å; P14-Y16 PolarHBondContact O-N 2.8Å
15E37.8Very low44.7Very low195 Ų195137.5 Ų137.591%0.91181%0.808SS**  trans-56.7124.2172.5-70-151.713000111.9
16Y39.6Very low44.8Very low194 Ų194135.5 Ų135.576%0.76181%0.805SS**  trans-112.7103.7150.753.1-88.4000107.1P14 S18P14-Y16 PolarHBondContact O-N 2.8Å; Y16-S18 VanDerWaalsContact C-N 3.35Å; Y16-S18 PolarHBondContact O-N 2.94Å
17A42.5Very low44.4Very low102 Ų102133.2 Ų133.284%0.84380%0.802SS**  trans-679516900000108.9
18S46.8Very low43.8Very low108 Ų108139.3 Ų139.376%0.75581%0.813SS**  trans-84.5103.5162.5-73.60000108.4Y16Y16-S18 VanDerWaalsContact C-N 3.35Å; Y16-S18 PolarHBondContact O-N 2.94Å
19G39.5Very low43.3Very low78 Ų78134 Ų13480%0.80481%0.805SS**  trans-146.778174.300000110.7
20A40.8Very low43Very low109 Ų109133.2 Ų133.290%0.90181%0.806SS**  trans-137.389.716700000108.9
21A44Very low43.1Very low109 Ų109131.6 Ų131.690%0.90180%0.803SS**  trans-124.7114.2162.400000106.8
22G38.9Very low43.4Very low83 Ų83131.7 Ų131.786%0.85680%0.801SS**  trans-177.674.3-176.300000109.2
23L41.9Very low43.7Very low172 Ų172127.6 Ų127.690%0.90180%0.8SS**  trans-90.4105.617917785.4000108.4
24D37.9Very low43.7Very low125 Ų125126.2 Ų126.267%0.66880%0.802SS**  trans171.4122.5136.975.1-69.9000111.4
25H44.7Very low43.5Very low175 Ų175127.3 Ų127.381%0.8182%0.818SS**  -177.9113.2129.2-107.464.4000108.8H27H25-H27 PolarHBondContact O-N 3.47Å
26S46.8Very low43.9Very low111 Ų111121.6 Ų121.678%0.77681%0.812SS**  trans-64.6115.2173.1-165.50000109.6
27H43.4Very low44.5Very low179 Ų179118 Ų11883%0.82981%0.812SS**  trans-134.597.2163.4-161.172.6000109.3H25 G29H25-H27 PolarHBondContact O-N 3.47Å; H27-G29 PolarHBondContact O-N 3.07Å
28Y40.3Very low45Very low223 Ų223118.8 Ų118.888%0.87581%0.809SS**  trans-62.6123.5171.6-115.7-101.2000109.6
29G37.5Very low44.9Very low72 Ų72117.1 Ų117.174%0.74281%0.808SS**  trans-17377.5175.900000115.6H27H27-G29 PolarHBondContact O-N 3.07Å
30G38.9Very low45.7Very low78 Ų78122 Ų12280%0.80482%0.816SS**  trans74.495.3141.300000119.8
31V51Low46.2Very low138 Ų138120 Ų12084%0.83681%0.805SS**PPolyproline II helixtrans-92.7125.2157.6-177.70000108.6
32P54.7Low46.7Very low114 Ų114118 Ų11874%0.7480%0.795SS**PPolyproline II helixtrans-83.2134.3163.630.5-29.5000110.7
33P53.7Low47.8Very low129 Ų129119.6 Ų119.684%0.83879%0.79SS**PPolyproline II helixtrans-90.5126.4175.934-28.2000110.3
34G46Very low48.8Very low73 Ų73121.4 Ų121.475%0.75379%0.785SS**  trans-168.9101.4177.200000115.1
35A47.1Very low49.7Very low106 Ų106120 Ų12088%0.87678%0.783SS**  trans62.5118148.800000120.5
36G45.3Very low50.4Low76 Ų76116.6 Ų116.678%0.78477%0.774SS**  trans-75.5-155.2175.800000115.2
37P52.9Low51Low117 Ų117120.4 Ų120.476%0.7678%0.777SS**  cis-117.4177.7-8.738.2-22.2000113.1G39P37-G39 PolarHBondContact O-N 3.03Å
38P52.3Low51.8Low119 Ų119121.9 Ų121.977%0.77378%0.775SS**  trans-77.39117731.6-32.3000110.9L40P38-L40 PolarHBondContact O-N 3.04Å
39G44.8Very low53.2Low73 Ų73118.4 Ų118.475%0.75376%0.76SS**  trans-66.799.5165.100000110.4P37 G41P37-G39 PolarHBondContact O-N 3.03Å; G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 2.95Å
40L57.5Low55.2Low182 Ų182117.1 Ų117.195%0.95375%0.747SS**  trans-61.481.4171.9-66.5166.4000110.9P38P38-L40 PolarHBondContact O-N 3.04Å
41G51.4Low57.2Low66 Ų66118.1 Ų118.168%0.6874%0.738SS**  trans-12316.6-178.200000114.6G39G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 2.95Å
42G54.6Low58.9Low66 Ų66114.2 Ų114.268%0.6872%0.72SS**  trans-62.7123.5-179.500000111.7R44G42-R44 PolarHBondContact O-N 3.42Å
43P61.1Low60.8Low118 Ų118114.2 Ų114.277%0.76671%0.713SS**  trans-62.4112.9175.824.1-30.3000108.6
44R62.4Low62.7Low209 Ų209116 Ų11679%0.78970%0.704SS**  trans-46.8131.5171.3-69.8-176.8-167.6-110.72.8108.6G42 V46G42-R44 PolarHBondContact O-N 3.42Å; R44-V46 PolarHBondContact O-N 3.08Å
45P57.6Low65.1Low96 Ų96120.3 Ų120.362%0.62370%0.702SS**  trans-61.8102.7-170.319.9-29.7000110.9K47 R48P45-K47 PolarHBondContact O-N 3.23Å; P45-K47 VanDerWaalsContact O-N 3.08Å; P45-R48 PolarHBondContact O-N 3.15Å
46V59.9Low67.4Low103 Ų103119.5 Ų119.562%0.62468%0.679SS**THydrogen-bonded Turntrans-59.1-21.8-178.9-149.50000111.7R44 R48 R49 G50R44-V46 PolarHBondContact O-N 3.08Å; V46-R48 PolarHBondContact O-N 2.9Å; V46-R49 PolarHBondContact O-N 3.18Å; V46-G50 PolarHBondContact O-N 3.32Å
47K58.8Low69.9Low191 Ų191125 Ų12583%0.8368%0.677SS**Hα-helixtrans-62.2-36.4-177-74.3174.5174.41790114.2P45 R49P45-K47 PolarHBondContact O-N 3.23Å; P45-K47 VanDerWaalsContact O-N 3.08Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 2.93Å
48R59.7Low72Confident210 Ų210127.3 Ų127.379%0.79267%0.67SS**Hα-helixtrans-75.5-21.5179-69.2-170.6177.3-1261113.6P45 V46 T51P45-R48 PolarHBondContact O-N 3.15Å; V46-R48 PolarHBondContact O-N 2.9Å; R48-T51 PolarHBondContact O-OG1 3.45Å
49R70.1Confident74.2Confident151 Ų151128.4 Ų128.457%0.5766%0.659SS**Hα-helixtrans-78.7-35.1177.4-72.8180162.6-175.6-6.4112.1V46 K47 T51 A52 N53V46-R49 PolarHBondContact O-N 3.18Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.48Å; R49-A52 PolarHBondContact O-N 2.93Å; R49-N53 WeakPolarHBondContact O-CB 3.21Å; R49-N53 VanDerWaalsContact O-CG 3.32Å; R49-N53 PolarHBondContact O-N 3.47Å; R49-N53 PolarHBondContact O-OD1 3.12Å
50G80.1Confident76.8Confident45 Ų45127.5 Ų127.546%0.46464%0.639SS.*Hα-helixtrans-60.6-41.7-179.500000113.4V46 R54V46-G50 PolarHBondContact O-N 3.32Å; G50-R54 WeakPolarHBondContact O-CB 3.3Å; G50-R54 PolarHBondContact O-N 3.28Å; G50-R54 VanDerWaalsContact O-N 3.07Å
51T80.4Confident78.7Confident99 Ų99124.8 Ų124.861%0.60762%0.621SS**Hα-helixtrans-70.2-43.6178.654.40000111.9R48 R49 R54 K55R48-T51 PolarHBondContact O-OG1 3.45Å; R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.48Å; T51-R54 PolarHBondContact O-N 2.94Å; T51-K55 PolarHBondContact O-N 3.45Å
52A86.5Confident81Confident55 Ų55125.6 Ų125.646%0.45562%0.616SS.*Hα-helixtrans-61.7-47.5175.800000112.2R49 R54 K55 E56R49-A52 PolarHBondContact O-N 2.93Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.38Å; A52-K55 WeakPolarHBondContact O-CB 3.36Å; A52-K55 PolarHBondContact O-N 3.02Å; A52-K55 VanDerWaalsContact O-N 3.13Å; A52-E56 PolarHBondContact O-N 2.95Å
53N94.3Very high83Confident114 Ų114125.3 Ų125.361%0.6160%0.599SS**Hα-helixtrans-62.6-37.9177.6-74.244.4000112.1R49 K55 E56 R57R49-N53 WeakPolarHBondContact O-CB 3.21Å; R49-N53 VanDerWaalsContact O-CG 3.32Å; R49-N53 PolarHBondContact O-N 3.47Å; R49-N53 PolarHBondContact O-OD1 3.12Å; N53-K55 VanDerWaalsContact C-N 3.34Å; N53-E56 PolarHBondContact O-N 3.46Å; N53-R57 PolarHBondContact O-N 2.78Å
54R93.6Very high84.7Confident168 Ų168123.1 Ų123.163%0.63458%0.581SS**Hα-helixtrans-63.2-41.9174.4-177.8177.5-67.4-162.1-2.3111.3G50 T51 A52 R57 R58G50-R54 WeakPolarHBondContact O-CB 3.3Å; G50-R54 PolarHBondContact O-N 3.28Å; G50-R54 VanDerWaalsContact O-N 3.07Å; T51-R54 PolarHBondContact O-N 2.94Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.38Å; R54-R57 PolarHBondContact O-N 3.2Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.4Å; R54-R58 VanDerWaalsContact O-N 3.1Å
55K95.8Very high86.4Confident163 Ų163115.9 Ų115.971%0.70956%0.562SS**Hα-helixtrans-62.7-46.5177.6-171.2177.6-179.5179.70111.6T51 A52 N53 R57 R58 R59T51-K55 PolarHBondContact O-N 3.45Å; A52-K55 WeakPolarHBondContact O-CB 3.36Å; A52-K55 PolarHBondContact O-N 3.02Å; A52-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 VanDerWaalsContact C-N 3.34Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 2.97Å; K55-R58 PolarHBondContact O-N 3.11Å; K55-R59 PolarHBondContact O-N 2.95Å
56E96.5Very high88.3Confident88 Ų88113.8 Ų113.841%0.41155%0.553SS.*Hα-helixtrans-65-38179.5-174.653-142.400112.3A52 N53 R58 R59 T60A52-E56 PolarHBondContact O-N 2.95Å; N53-E56 PolarHBondContact O-N 3.46Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.22Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-CZ 3.39Å; E56-R59 IonicContact OE1-NH1 3.85Å; E56-R59 PolarHBondContact OE1-NH1 3.21Å; E56-R59 IonicContact OE2-NH1 3.94Å; E56-T60 WeakPolarHBondContact O-CB 3.3Å; E56-T60 PolarHBondContact O-N 3.41Å; E56-T60 PolarHBondContact O-OG1 3.47Å; E56-T60 VanDerWaalsContact O-OG1 3.13Å; E56-T60 PolarHBondContact OE1-OG1 2.98Å
57R97.8Very high90.1Very high192 Ų192110.5 Ų110.573%0.72553%0.53SS*.Hα-helixtrans-59.9-45.4173.8-176.2-178.2-68.8-123.50.4111.4N53 R54 K55 T60 Q61N53-R57 PolarHBondContact O-N 2.78Å; R54-R57 PolarHBondContact O-N 3.2Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 2.97Å; R57-T60 PolarHBondContact O-N 2.86Å; R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 PolarHBondContact O-N 3.34Å
58R97.8Very high91.8Very high166 Ų166103.4 Ų103.463%0.62651%0.507SS*.Hα-helixtrans-62.6-44.2177.1-73.2-178.5176.8-156.1-2.1111.8R54 K55 E56 T60 Q61 S62R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.4Å; R54-R58 VanDerWaalsContact O-N 3.1Å; K55-R58 PolarHBondContact O-N 3.11Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.22Å; R58-T60 PolarHBondContact O-N 3.46Å; R58-Q61 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-N 3.07Å
59R98.3Very high93.5Very high141 Ų14199.1 Ų99.153%0.53250%0.496SS..Hα-helixtrans-57.4-49.9174.8178.6-176.8167.5-85.6-5.4111.2K55 E56 Q61 S62 I63K55-R59 PolarHBondContact O-N 2.95Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-CZ 3.39Å; E56-R59 IonicContact OE1-NH1 3.85Å; E56-R59 PolarHBondContact OE1-NH1 3.21Å; E56-R59 IonicContact OE2-NH1 3.94Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.26Å; R59-S62 PolarHBondContact O-N 3.27Å; R59-I63 HydrophobicContact CG-CD1 4.21Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.5Å
60T98.3Very high94.7Very high55 Ų5594.6 Ų94.634%0.33748%0.483SS..Hα-helixtrans-62.5-39.7178.1-63.90000111.9E56 R57 R58 I63 N64E56-T60 WeakPolarHBondContact O-CB 3.3Å; E56-T60 PolarHBondContact O-N 3.41Å; E56-T60 PolarHBondContact O-OG1 3.47Å; E56-T60 VanDerWaalsContact O-OG1 3.13Å; E56-T60 PolarHBondContact OE1-OG1 2.98Å; R57-T60 PolarHBondContact O-N 2.86Å; R58-T60 PolarHBondContact O-N 3.46Å; T60-I63 PolarHBondContact O-N 3.39Å; T60-N64 VanDerWaalsContact O-CG 3.25Å; T60-N64 PolarHBondContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.15Å
61Q98.2Very high95.4Very high125 Ų12595.8 Ų95.858%0.58447%0.473SS*.Hα-helixtrans-62-46.6176.1-174.3174.412.100111.3R57 R58 R59 I63 N64 S65R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 PolarHBondContact O-N 3.34Å; R58-Q61 PolarHBondContact O-N 3.47Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.26Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 2.87Å; Q61-N64 PolarHBondContact O-N 3.48Å; Q61-N64 VanDerWaalsContact O-N 3.1Å; Q61-S65 PolarHBondContact O-N 3.02Å; Q61-S65 PolarHBondContact O-OG 3.44Å
62S98.4Very high96Very high82 Ų8298.9 Ų98.957%0.57348%0.481SS*.Hα-helixtrans-57.7-44175.5168.90000112.1R58 R59 N64 S65 A66R58-S62 PolarHBondContact O-N 3.07Å; R59-S62 PolarHBondContact O-N 3.27Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-N 3.35Å; S62-A66 PolarHBondContact O-N 3.1Å
63I98.1Very high96.4Very high60 Ų60100.2 Ų100.231%0.30849%0.486SS..Hα-helixtrans-61.2-42.9175.1-66.8166.2000111.1R59 T60 Q61 A66 F67R59-I63 HydrophobicContact CG-CD1 4.21Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.5Å; T60-I63 PolarHBondContact O-N 3.39Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 3.34Å; I63-F67 HydrophobicContact CG2-CD2 3.93Å; I63-F67 HydrophobicContact CG2-CE2 4.18Å; I63-F67 WeakPolarHBondContact O-CD2 3.37Å; I63-F67 PolarHBondContact O-N 3.04Å
64N97.1Very high96.4Very high73 Ų7395.1 Ų95.139%0.3946%0.459SS..Hα-helixtrans-68.5-35.7-179.1-70.1-23.7000112.3T60 Q61 S62 F67 A68T60-N64 VanDerWaalsContact O-CG 3.25Å; T60-N64 PolarHBondContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.15Å; Q61-N64 PolarHBondContact O-N 3.48Å; Q61-N64 VanDerWaalsContact O-N 3.1Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 2.94Å; N64-F67 WeakPolarHBondContact O-CB 3.46Å; N64-F67 PolarHBondContact O-N 3.28Å; N64-A68 PolarHBondContact O-N 2.87Å
65S97.3Very high96.3Very high57 Ų5788.9 Ų88.940%0.39944%0.44SS..Hα-helixtrans-62.2-50172.4-67.10000111.3Q61 S62 F67 A68 E69Q61-S65 PolarHBondContact O-N 3.02Å; Q61-S65 PolarHBondContact O-OG 3.44Å; S62-S65 PolarHBondContact O-N 3.35Å; S65-F67 PolarHBondContact O-N 2.9Å; S65-A68 WeakPolarHBondContact O-CA 3.37Å; S65-A68 VanDerWaalsContact O-CB 3.31Å; S65-A68 WeakPolarHBondContact O-CB 3.18Å; S65-A68 PolarHBondContact O-N 3.02Å; S65-E69 PolarHBondContact O-N 3.38Å
66A97.6Very high95.8Very high52 Ų5286.8 Ų86.843%0.4344%0.436SS..Hα-helixtrans-59.5-36.1175.500000112.5S62 I63 A68 L70S62-A66 PolarHBondContact O-N 3.1Å; I63-A66 PolarHBondContact O-N 3.34Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 2.82Å; A66-L70 WeakPolarHBondContact O-CB 3.37Å; A66-L70 PolarHBondContact O-N 2.94Å
67F97.1Very high95.3Very high33 Ų3383.8 Ų83.815%0.14542%0.424CS..Hα-helixtrans-65.8-32.4172.3-103.2-79.7000112.7I63 N64 S65 R71 K85 T88 L89I63-F67 HydrophobicContact CG2-CD2 3.93Å; I63-F67 HydrophobicContact CG2-CE2 4.18Å; I63-F67 WeakPolarHBondContact O-CD2 3.37Å; I63-F67 PolarHBondContact O-N 3.04Å; N64-F67 WeakPolarHBondContact O-CB 3.46Å; N64-F67 PolarHBondContact O-N 3.28Å; S65-F67 PolarHBondContact O-N 2.9Å; F67-R71 WeakPolarHBondContact O-CG 3.47Å; F67-R71 PolarHBondContact O-N 3.1Å; F67-R71 PolarHBondContact O-NH1 3.49Å; F67-K85 HydrophobicContact CD1-CG 4.23Å; F67-K85 HydrophobicContact CE1-CB 3.78Å; F67-K85 HydrophobicContact CE1-CG 3.89Å; F67-K85 HydrophobicContact CE2-CD 4.3Å; F67-K85 HydrophobicContact CE2-CG 4.37Å; F67-K85 HydrophobicContact CZ-CB 3.9Å; F67-K85 HydrophobicContact CZ-CD 4.25Å; F67-K85 HydrophobicContact CZ-CG 3.97Å; F67-T88 HydrophobicContact CD1-CG2 4.12Å; F67-T88 HydrophobicContact CE1-CG2 4.42Å; F67-L89 HydrophobicContact CE1-CD2 4.25Å; F67-L89 HydrophobicContact CE1-CG 4.13Å; F67-L89 HydrophobicContact CZ-CD1 4.31Å; F67-L89 HydrophobicContact CZ-CD2 4.17Å; F67-L89 HydrophobicContact CZ-CG 4.17Å
68A94.3Very high94.6Very high42 Ų4278.3 Ų78.335%0.34741%0.413SS..Hα-helixtrans-69.4-48.2176.600000110.3N64 S65 A66 L70 R71 E72N64-A68 PolarHBondContact O-N 2.87Å; S65-A68 WeakPolarHBondContact O-CA 3.37Å; S65-A68 VanDerWaalsContact O-CB 3.31Å; S65-A68 WeakPolarHBondContact O-CB 3.18Å; S65-A68 PolarHBondContact O-N 3.02Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 2.82Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.08Å; A68-R71 WeakPolarHBondContact O-CB 3.39Å; A68-R71 PolarHBondContact O-N 3.3Å; A68-E72 PolarHBondContact O-N 3.25Å
69E95.4Very high93.5Very high121 Ų12175.9 Ų75.957%0.56543%0.429SS*.Hα-helixtrans-55.2-44.6173.8-67.1164.9-141.100111.2S65 R71 E72 C73S65-E69 PolarHBondContact O-N 3.38Å; E69-R71 PolarHBondContact O-N 2.99Å; E69-E72 WeakPolarHBondContact O-CB 3.45Å; E69-E72 PolarHBondContact O-N 3.45Å; E69-E72 VanDerWaalsContact O-N 3.11Å; E69-C73 PolarHBondContact O-N 3.43Å; E69-C73 PolarHBondContact O-SG 3.4Å
70L96.1Very high92.5Very high56 Ų5675.5 Ų75.529%0.29344%0.437SS..Hα-helixtrans-60.5-30.9176.1-177.160.1000113.3A66 A68 C73 T88 L89 A92A66-L70 WeakPolarHBondContact O-CB 3.37Å; A66-L70 PolarHBondContact O-N 2.94Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.08Å; L70-C73 PolarHBondContact O-N 3.02Å; L70-T88 HydrophobicContact CB-CG2 4.3Å; L70-T88 HydrophobicContact CD2-CG2 3.79Å; L70-T88 HydrophobicContact CG-CG2 3.83Å; L70-L89 HydrophobicContact CD2-CD2 4.39Å; L70-A92 HydrophobicContact CD1-CB 3.87Å; L70-A92 HydrophobicContact CD2-CB 4.32Å; L70-A92 HydrophobicContact CG-CB 4.3Å
71R95.2Very high91.9Very high69 Ų6975.1 Ų75.126%0.2644%0.435SS..Hα-helixtrans-71.5-34.5177.3-71176.6-170.890.1-1.9111.9F67 A68 E69 C73 I74 L83 T88F67-R71 WeakPolarHBondContact O-CG 3.47Å; F67-R71 PolarHBondContact O-N 3.1Å; F67-R71 PolarHBondContact O-NH1 3.49Å; A68-R71 WeakPolarHBondContact O-CB 3.39Å; A68-R71 PolarHBondContact O-N 3.3Å; E69-R71 PolarHBondContact O-N 2.99Å; R71-C73 PolarHBondContact O-N 3.03Å; R71-I74 PolarHBondContact O-N 3.48Å; R71-I74 VanDerWaalsContact O-N 3.1Å; R71-L83 HydrophobicContact CG-CB 4.3Å; R71-L83 HydrophobicContact CG-CD1 4.25Å; R71-L83 PolarHBondContact NE-O 3.45Å; R71-L83 PolarHBondContact NH2-O 3.19Å; R71-T88 HydrophobicContact CG-CG2 3.74Å; R71-T88 PolarHBondContact NE-OG1 3.46Å
72E93.6Very high91.3Very high165 Ų16578.4 Ų78.477%0.77145%0.448SS*.Hα-helixtrans-65.5-26.8178-63.8175.5178.200111.6A68 E69 I74A68-E72 PolarHBondContact O-N 3.25Å; E69-E72 WeakPolarHBondContact O-CB 3.45Å; E69-E72 PolarHBondContact O-N 3.45Å; E69-E72 VanDerWaalsContact O-N 3.11Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.34Å
73C94Very high90.9Very high82 Ų8275 Ų7555%0.55442%0.422SS*.THydrogen-bonded Turntrans-77.1-8.9174.4-55.40000114.4E69 L70 R71 P75 Y95E69-C73 PolarHBondContact O-N 3.43Å; E69-C73 PolarHBondContact O-SG 3.4Å; L70-C73 PolarHBondContact O-N 3.02Å; R71-C73 PolarHBondContact O-N 3.03Å; C73-P75 WeakPolarHBondContact O-CD 3.36Å; C73-Y95 WeakPolarHBondContact O-CE1 3.39Å
74I93.9Very high90.7Very high7 Ų774.2 Ų74.24%0.03642%0.423CS..SBendtrans-89.4115.2-177.7-62169.3000109.2R71 E72 V77 L83 T88 L91R71-I74 PolarHBondContact O-N 3.48Å; R71-I74 VanDerWaalsContact O-N 3.1Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.34Å; I74-V77 HydrophobicContact CG2-CB 4.44Å; I74-V77 HydrophobicContact CG2-CG2 3.66Å; I74-L83 HydrophobicContact CD1-CD1 3.63Å; I74-T88 HydrophobicContact CD1-CG2 3.91Å; I74-L91 HydrophobicContact CD1-CB 3.89Å; I74-L91 HydrophobicContact CG1-CB 4.43Å; I74-L91 HydrophobicContact CG2-CB 4.05Å; I74-L91 HydrophobicContact CG2-CD1 4.22Å
75P92.1Very high90.5Very high38 Ų3875.8 Ų75.825%0.24743%0.426CS..THydrogen-bonded Turntrans-73.7160.5-178.830.2-34.9000112.2C73 V77 Y95 F115C73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-V77 PolarHBondContact O-N 3.5Å; P75-V77 VanDerWaalsContact O-N 3.15Å; P75-Y95 HydrophobicContact CG-CD2 3.81Å; P75-Y95 HydrophobicContact CG-CE1 4.29Å; P75-Y95 HydrophobicContact CG-CE2 3.59Å; P75-Y95 HydrophobicContact CG-CG 4.29Å; P75-F115 HydrophobicContact CG-CD1 3.6Å; P75-F115 HydrophobicContact CG-CE1 4.04Å; P75-F115 HydrophobicContact CG-CG 4.32Å
76N85.9Confident90.5Very high118 Ų11877.5 Ų77.563%0.63143%0.43SS*.THydrogen-bonded Turntrans59.122.5177.1-59.2-39.8000114.4F115N76-F115 PolarHBondContact ND2-O 3.46Å
77V84.9Confident90.3Very high26 Ų2677.7 Ų77.716%0.15842%0.421CS..SBendtrans-115.5120.9170.21800000108I74 P75 A79 T81 L83 A117 I119I74-V77 HydrophobicContact CG2-CB 4.44Å; I74-V77 HydrophobicContact CG2-CG2 3.66Å; P75-V77 PolarHBondContact O-N 3.5Å; P75-V77 VanDerWaalsContact O-N 3.15Å; V77-A79 PolarHBondContact O-N 3.04Å; V77-T81 HydrophobicContact CG1-CG2 3.98Å; V77-L83 HydrophobicContact CG1-CD1 4.09Å; V77-L83 HydrophobicContact CG1-CD2 4.23Å; V77-L83 HydrophobicContact CG1-CG 4.15Å; V77-L83 HydrophobicContact CG2-CD1 4.44Å; V77-A117 HydrophobicContact CG2-CB 3.6Å; V77-I119 HydrophobicContact CG2-CD1 4.04Å; V77-I119 HydrophobicContact CG2-CG1 4.44Å
78P83.1Confident90.2Very high76 Ų7676.1 Ų76.149%0.49441%0.414SS..  trans-56.4139.2174.5-25.134.5000111.4D80 T81P78-D80 WeakPolarHBondContact CB-OD1 3.06Å; P78-D80 PolarHBondContact O-N 2.78Å; P78-D80 VanDerWaalsContact O-N 3.09Å; P78-T81 VanDerWaalsContact O-CB 3.22Å; P78-T81 WeakPolarHBondContact O-CB 3.22Å; P78-T81 PolarHBondContact O-N 2.98Å; P78-T81 PolarHBondContact O-OG1 2.93Å
79A74.3Confident90.3Very high115 Ų11578 Ų7895%0.9542%0.418SS*.THydrogen-bonded Turntrans-60.8-23.4-174.300000113.9V77V77-A79 PolarHBondContact O-N 3.04Å
80D78.4Confident90.3Very high133 Ų13380 Ų8071%0.71142%0.42SS*.THydrogen-bonded Turntrans-83-10.3175.763.7-35.6000113.5P78 K82P78-D80 WeakPolarHBondContact CB-OD1 3.06Å; P78-D80 PolarHBondContact O-N 2.78Å; P78-D80 VanDerWaalsContact O-N 3.09Å; D80-K82 PolarHBondContact O-N 3.28Å
81T85Confident90.3Very high47 Ų4778 Ų7829%0.28841%0.41SS..  trans-75113.3-179.9-62.10000111.3V77 P78 L83V77-T81 HydrophobicContact CG1-CG2 3.98Å; P78-T81 VanDerWaalsContact O-CB 3.22Å; P78-T81 WeakPolarHBondContact O-CB 3.22Å; P78-T81 PolarHBondContact O-N 2.98Å; P78-T81 PolarHBondContact O-OG1 2.93Å; T81-L83 HydrophobicContact CG2-CD2 4.27Å; T81-L83 PolarHBondContact O-N 2.87Å
82K85.4Confident90.3Very high195 Ų19575.3 Ų75.385%0.84840%0.402SS*.  trans-79.889.6178.2-65.3-171.4-178.8176.80111.9D80 S84D80-K82 PolarHBondContact O-N 3.28Å; K82-S84 PolarHBondContact O-N 3.06Å
83L89.3Confident90.5Very high9 Ų972.1 Ų72.15%0.04739%0.394CS..  trans-66131.4170.8-61177000111.7R71 I74 V77 T81 T88 L91 I119R71-L83 HydrophobicContact CG-CB 4.3Å; R71-L83 HydrophobicContact CG-CD1 4.25Å; R71-L83 PolarHBondContact NE-O 3.45Å; R71-L83 PolarHBondContact NH2-O 3.19Å; I74-L83 HydrophobicContact CD1-CD1 3.63Å; V77-L83 HydrophobicContact CG1-CD1 4.09Å; V77-L83 HydrophobicContact CG1-CD2 4.23Å; V77-L83 HydrophobicContact CG1-CG 4.15Å; V77-L83 HydrophobicContact CG2-CD1 4.44Å; T81-L83 HydrophobicContact CG2-CD2 4.27Å; T81-L83 PolarHBondContact O-N 2.87Å; L83-T88 WeakPolarHBondContact CB-OG1 3.3Å; L83-L91 HydrophobicContact CD1-CD1 3.91Å; L83-L91 HydrophobicContact CD2-CD1 4.02Å; L83-I119 HydrophobicContact CD2-CD1 3.37Å
84S94.4Very high90.5Very high45 Ų4571.4 Ų71.432%0.31539%0.39SS..  trans-63.2159.1169.173.80000111K82 I86 K87 T88K82-S84 PolarHBondContact O-N 3.06Å; S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 WeakPolarHBondContact OG-CG2 3.37Å; S84-K87 PolarHBondContact O-N 3.5Å; S84-K87 WeakPolarHBondContact OG-CB 3.5Å; S84-K87 WeakPolarHBondContact OG-CG 3.42Å; S84-K87 PolarHBondContact OG-N 3Å; S84-T88 WeakPolarHBondContact O-CB 3.45Å; S84-T88 PolarHBondContact O-N 3.4Å; S84-T88 PolarHBondContact O-OG1 3.2Å
85K94.1Very high90.6Very high106 Ų10674.1 Ų74.146%0.46140%0.4SS..Hα-helixtrans-55.6-45.6-179.8-68.4-176.1177.4-177.50111.7F67 T88 L89F67-K85 HydrophobicContact CD1-CG 4.23Å; F67-K85 HydrophobicContact CE1-CB 3.78Å; F67-K85 HydrophobicContact CE1-CG 3.89Å; F67-K85 HydrophobicContact CE2-CD 4.3Å; F67-K85 HydrophobicContact CE2-CG 4.37Å; F67-K85 HydrophobicContact CZ-CB 3.9Å; F67-K85 HydrophobicContact CZ-CD 4.25Å; F67-K85 HydrophobicContact CZ-CG 3.97Å; K85-T88 PolarHBondContact O-N 3.23Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.32Å
86I95.8Very high90.8Very high92 Ų9277.1 Ų77.147%0.47241%0.413SS..Hα-helixtrans-65.9-39.8179.2-172.559.2000112.4S84 R90S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 WeakPolarHBondContact OG-CG2 3.37Å; I86-R90 HydrophobicContact CD1-CG 4.45Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 VanDerWaalsContact O-CG 3.31Å; I86-R90 WeakPolarHBondContact O-CG 3.33Å; I86-R90 PolarHBondContact O-N 3.41Å
87K93.4Very high91.2Very high56 Ų5673.7 Ų73.724%0.24340%0.402CS..Hα-helixtrans-66-43.8176.8-79.8-78.5-170166.80111.3S84 L89 R90 L91 E118S84-K87 PolarHBondContact O-N 3.5Å; S84-K87 WeakPolarHBondContact OG-CB 3.5Å; S84-K87 WeakPolarHBondContact OG-CG 3.42Å; S84-K87 PolarHBondContact OG-N 3Å; K87-L89 PolarHBondContact O-N 3.1Å; K87-R90 PolarHBondContact O-N 3.31Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.27Å; K87-E118 PolarHBondContact NZ-O 3.38Å
88T95.5Very high91.6Very high0 Ų075 Ų750%040%0.404CS..Hα-helixtrans-57.3-49.9176.9-50.10000110.5F67 L70 R71 I74 L83 S84 K85 R90 L91 A92F67-T88 HydrophobicContact CD1-CG2 4.12Å; F67-T88 HydrophobicContact CE1-CG2 4.42Å; L70-T88 HydrophobicContact CB-CG2 4.3Å; L70-T88 HydrophobicContact CD2-CG2 3.79Å; L70-T88 HydrophobicContact CG-CG2 3.83Å; R71-T88 HydrophobicContact CG-CG2 3.74Å; R71-T88 PolarHBondContact NE-OG1 3.46Å; I74-T88 HydrophobicContact CD1-CG2 3.91Å; L83-T88 WeakPolarHBondContact CB-OG1 3.3Å; S84-T88 WeakPolarHBondContact O-CB 3.45Å; S84-T88 PolarHBondContact O-N 3.4Å; S84-T88 PolarHBondContact O-OG1 3.2Å; K85-T88 PolarHBondContact O-N 3.23Å; T88-R90 PolarHBondContact O-N 2.94Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.41Å; T88-A92 PolarHBondContact O-N 2.87Å
89L97.1Very high92.1Very high82 Ų8274.5 Ų74.543%0.42940%0.397SS..Hα-helixtrans-61.4-46.4179.1-67.9174.5000112.1F67 L70 K85 K87 A92 T93F67-L89 HydrophobicContact CE1-CD2 4.25Å; F67-L89 HydrophobicContact CE1-CG 4.13Å; F67-L89 HydrophobicContact CZ-CD1 4.31Å; F67-L89 HydrophobicContact CZ-CD2 4.17Å; F67-L89 HydrophobicContact CZ-CG 4.17Å; L70-L89 HydrophobicContact CD2-CD2 4.39Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.32Å; K87-L89 PolarHBondContact O-N 3.1Å; L89-A92 PolarHBondContact O-N 3.38Å; L89-T93 PolarHBondContact O-N 3.05Å; L89-T93 PolarHBondContact O-OG1 3.36Å; L89-T93 VanDerWaalsContact O-OG1 3.08Å
90R95.2Very high93Very high162 Ų16275 Ų7561%0.61138%0.381SS*.Hα-helixtrans-61.1-47.9179.1-74.2176177-176.8-1112.2I86 K87 T88 T93 S94I86-R90 HydrophobicContact CD1-CG 4.45Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 VanDerWaalsContact O-CG 3.31Å; I86-R90 WeakPolarHBondContact O-CG 3.33Å; I86-R90 PolarHBondContact O-N 3.41Å; K87-R90 PolarHBondContact O-N 3.31Å; T88-R90 PolarHBondContact O-N 2.94Å; R90-T93 PolarHBondContact O-N 2.87Å; R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.04Å
91L95.3Very high93.6Very high15 Ų1572.9 Ų72.98%0.07937%0.37CS..Hα-helixtrans-64.9-41.3-180-71.9172.7000111.7I74 L83 K87 T88 S94 Y95 F115 A117 I119I74-L91 HydrophobicContact CD1-CB 3.89Å; I74-L91 HydrophobicContact CG1-CB 4.43Å; I74-L91 HydrophobicContact CG2-CB 4.05Å; I74-L91 HydrophobicContact CG2-CD1 4.22Å; L83-L91 HydrophobicContact CD1-CD1 3.91Å; L83-L91 HydrophobicContact CD2-CD1 4.02Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.27Å; T88-L91 PolarHBondContact O-N 3.49Å; L91-S94 PolarHBondContact O-N 2.97Å; L91-Y95 WeakPolarHBondContact O-CB 3.44Å; L91-Y95 PolarHBondContact O-N 3.05Å; L91-F115 HydrophobicContact CD2-CZ 4.43Å; L91-A117 HydrophobicContact CD2-CB 4.15Å; L91-I119 HydrophobicContact CD1-CD1 3.8Å
92A96.7Very high93.7Very high13 Ų1372.7 Ų72.711%0.10737%0.367CS..Hα-helixtrans-61.1-45.7175.800000112L70 T88 L89 S94 Y95 I96L70-A92 HydrophobicContact CD1-CB 3.87Å; L70-A92 HydrophobicContact CD2-CB 4.32Å; L70-A92 HydrophobicContact CG-CB 4.3Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.41Å; T88-A92 PolarHBondContact O-N 2.87Å; L89-A92 PolarHBondContact O-N 3.38Å; A92-S94 PolarHBondContact O-N 3.45Å; A92-Y95 PolarHBondContact O-N 3.34Å; A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.32Å
93T96.6Very high93.9Very high97 Ų9769.6 Ų69.660%0.59536%0.359SS*.Hα-helixtrans-60.3-45.8175.6-58.50000111.8L89 R90 Y95 I96 A97L89-T93 PolarHBondContact O-N 3.05Å; L89-T93 PolarHBondContact O-OG1 3.36Å; L89-T93 VanDerWaalsContact O-OG1 3.08Å; R90-T93 PolarHBondContact O-N 2.87Å; T93-Y95 VanDerWaalsContact C-N 3.28Å; T93-Y95 PolarHBondContact O-N 3.48Å; T93-I96 PolarHBondContact O-N 3.32Å; T93-A97 PolarHBondContact O-N 3.49Å
94S95.2Very high93.8Very high67 Ų6772.6 Ų72.647%0.46939%0.385SS..Hα-helixtrans-62.6-36.2176.4-63.60000112.4R90 L91 A92 A97 Y98R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.04Å; L91-S94 PolarHBondContact O-N 2.97Å; A92-S94 PolarHBondContact O-N 3.45Å; S94-A97 PolarHBondContact O-N 3.39Å; S94-Y98 WeakPolarHBondContact O-CB 2.83Å; S94-Y98 PolarHBondContact O-N 3.4Å
95Y96Very high93.1Very high65 Ų6575.5 Ų75.526%0.25539%0.392SS..Hα-helixtrans-70.2-41.7179.2-176-134000111.9C73 P75 L91 A92 T93 A97 Y98 L99 F115C73-Y95 WeakPolarHBondContact O-CE1 3.39Å; P75-Y95 HydrophobicContact CG-CD2 3.81Å; P75-Y95 HydrophobicContact CG-CE1 4.29Å; P75-Y95 HydrophobicContact CG-CE2 3.59Å; P75-Y95 HydrophobicContact CG-CG 4.29Å; L91-Y95 WeakPolarHBondContact O-CB 3.44Å; L91-Y95 PolarHBondContact O-N 3.05Å; A92-Y95 PolarHBondContact O-N 3.34Å; T93-Y95 VanDerWaalsContact C-N 3.28Å; T93-Y95 PolarHBondContact O-N 3.48Å; Y95-A97 VanDerWaalsContact C-N 3.34Å; Y95-A97 PolarHBondContact O-N 2.76Å; Y95-Y98 HydrophobicContact CD2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CE1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.95Å; Y95-L99 HydrophobicContact CD1-CD1 4.24Å; Y95-L99 HydrophobicContact CD2-CD1 4.49Å; Y95-L99 HydrophobicContact CD2-CG 4.19Å; Y95-L99 HydrophobicContact CE1-CD1 3.82Å; Y95-L99 HydrophobicContact CE1-CG 4.46Å; Y95-L99 HydrophobicContact CE2-CD1 4.07Å; Y95-L99 HydrophobicContact CE2-CD2 3.78Å; Y95-L99 HydrophobicContact CE2-CG 3.81Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.34Å; Y95-F115 HydrophobicContact CD2-CB 4.48Å; Y95-F115 HydrophobicContact CD2-CD1 4.35Å; Y95-F115 HydrophobicContact CD2-CD2 4.05Å; Y95-F115 HydrophobicContact CD2-CE2 4.36Å; Y95-F115 HydrophobicContact CD2-CG 4.04Å
96I96Very high91.6Very high100 Ų10076.4 Ų76.451%0.51340%0.401SS..Hα-helixtrans-57.4-49.1172.2-66.9165.6000110.2A92 T93 Y98 L99 M100A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.32Å; T93-I96 PolarHBondContact O-N 3.32Å; I96-Y98 VanDerWaalsContact C-N 3.31Å; I96-Y98 PolarHBondContact O-N 2.87Å; I96-L99 PolarHBondContact O-N 3.17Å; I96-M100 HydrophobicContact CG2-CG 4.37Å; I96-M100 HydrophobicContact CG2-SD 3.94Å; I96-M100 VanDerWaalsContact O-CG 3.3Å; I96-M100 WeakPolarHBondContact O-CG 3.38Å; I96-M100 PolarHBondContact O-N 3.36Å
97A94Very high89.9Confident47 Ų4779.3 Ų79.339%0.38842%0.418SS..Hα-helixtrans-59.2-42.2178.500000112.3T93 S94 Y95 M100 D101T93-A97 PolarHBondContact O-N 3.49Å; S94-A97 PolarHBondContact O-N 3.39Å; Y95-A97 VanDerWaalsContact C-N 3.34Å; Y95-A97 PolarHBondContact O-N 2.76Å; A97-M100 PolarHBondContact O-N 3.07Å; A97-D101 PolarHBondContact O-N 3.46Å
98Y93.2Very high88.1Confident53 Ų5384.4 Ų84.421%0.20844%0.443CS..Hα-helixtrans-60.2-45.6175.1169.3-104.7000112.8S94 Y95 I96 M100 D101 L102 E113 F115S94-Y98 WeakPolarHBondContact O-CB 2.83Å; S94-Y98 PolarHBondContact O-N 3.4Å; Y95-Y98 HydrophobicContact CD2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CE1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.95Å; I96-Y98 VanDerWaalsContact C-N 3.31Å; I96-Y98 PolarHBondContact O-N 2.87Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 3.13Å; Y98-D101 PolarHBondContact O-N 3.39Å; Y98-L102 HydrophobicContact CD1-CD1 3.85Å; Y98-L102 HydrophobicContact CE1-CD1 3.23Å; Y98-L102 HydrophobicContact CE1-CG 4.11Å; Y98-L102 HydrophobicContact CE2-CD1 4.03Å; Y98-L102 HydrophobicContact CE2-CD2 4.49Å; Y98-L102 HydrophobicContact CE2-CG 4.02Å; Y98-L102 PolarHBondContact O-N 3.07Å; Y98-E113 WeakPolarHBondContact CE2-O 3.36Å; Y98-F115 HydrophobicContact CD1-CB 3.8Å; Y98-F115 HydrophobicContact CD1-CD2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.46Å; Y98-F115 HydrophobicContact CD2-CB 4.46Å; Y98-F115 HydrophobicContact CE1-CB 3.82Å; Y98-F115 HydrophobicContact CG-CB 4.1Å; Y98-F115 HydrophobicContact CG-CD2 4.16Å
99L93.3Very high86Confident66 Ų6693 Ų9335%0.34649%0.488SS..Hα-helixtrans-64.3-37.8177.1-67177000111.8Y95 I96 L102 L103Y95-L99 HydrophobicContact CD1-CD1 4.24Å; Y95-L99 HydrophobicContact CD2-CD1 4.49Å; Y95-L99 HydrophobicContact CD2-CG 4.19Å; Y95-L99 HydrophobicContact CE1-CD1 3.82Å; Y95-L99 HydrophobicContact CE1-CG 4.46Å; Y95-L99 HydrophobicContact CE2-CD1 4.07Å; Y95-L99 HydrophobicContact CE2-CD2 3.78Å; Y95-L99 HydrophobicContact CE2-CG 3.81Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.34Å; I96-L99 PolarHBondContact O-N 3.17Å; L99-L102 HydrophobicContact CD2-CD1 4.23Å; L99-L102 PolarHBondContact O-N 3.02Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.5Å; L99-L103 VanDerWaalsContact O-N 3.07Å
100M93.9Very high83.8Confident126 Ų12691.7 Ų91.762%0.62150%0.495SS*.Hα-helixtrans-64.3-43175-67.6178.278.500111.7I96 A97 Y98 L103 A104I96-M100 HydrophobicContact CG2-CG 4.37Å; I96-M100 HydrophobicContact CG2-SD 3.94Å; I96-M100 VanDerWaalsContact O-CG 3.3Å; I96-M100 WeakPolarHBondContact O-CG 3.38Å; I96-M100 PolarHBondContact O-N 3.36Å; A97-M100 PolarHBondContact O-N 3.07Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 3.13Å; M100-L103 PolarHBondContact O-N 3.01Å; M100-A104 WeakPolarHBondContact O-CB 3.37Å; M100-A104 PolarHBondContact O-N 3.43Å; M100-A104 VanDerWaalsContact O-N 3.08Å
101D89.6Confident82Confident87 Ų8793.4 Ų93.447%0.46551%0.51SS..Hα-helixtrans-65.1-39.3176.6-77.4-3000112.3A97 Y98 A104 K105A97-D101 PolarHBondContact O-N 3.46Å; Y98-D101 PolarHBondContact O-N 3.39Å; D101-A104 PolarHBondContact O-N 3.13Å; D101-K105 WeakPolarHBondContact O-CB 3.49Å; D101-K105 WeakPolarHBondContact O-CD 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.1Å; D101-K105 PolarHBondContact O-N 2.82Å
102L88.8Confident80.3Confident43 Ų4394.3 Ų94.323%0.22552%0.52CS..Hα-helixtrans-58.9-53.6174.4-87.4173.6000111.1Y98 L99 A104 K105 D106 A112Y98-L102 HydrophobicContact CD1-CD1 3.85Å; Y98-L102 HydrophobicContact CE1-CD1 3.23Å; Y98-L102 HydrophobicContact CE1-CG 4.11Å; Y98-L102 HydrophobicContact CE2-CD1 4.03Å; Y98-L102 HydrophobicContact CE2-CD2 4.49Å; Y98-L102 HydrophobicContact CE2-CG 4.02Å; Y98-L102 PolarHBondContact O-N 3.07Å; L99-L102 HydrophobicContact CD2-CD1 4.23Å; L99-L102 PolarHBondContact O-N 3.02Å; L102-A104 PolarHBondContact O-N 3.33Å; L102-K105 PolarHBondContact O-N 2.84Å; L102-D106 PolarHBondContact O-N 3.31Å; L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 4.27Å
103L89.4Confident78.9Confident131 Ų131100.9 Ų100.969%0.68655%0.549SS*.Hα-helixtrans-61.9-29.5-179.7-69.1172000112.6L99 M100L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.5Å; L99-L103 VanDerWaalsContact O-N 3.07Å; M100-L103 PolarHBondContact O-N 3.01Å
104A87.4Confident77.9Confident72 Ų7299.4 Ų99.460%0.59555%0.546SS*.Hα-helixtrans-78.6-22.6174.600000113.5M100 D101 L102M100-A104 WeakPolarHBondContact O-CB 3.37Å; M100-A104 PolarHBondContact O-N 3.43Å; M100-A104 VanDerWaalsContact O-N 3.08Å; D101-A104 PolarHBondContact O-N 3.13Å; L102-A104 PolarHBondContact O-N 3.33Å
105K78.4Confident77.4Confident106 Ų10697.1 Ų97.146%0.46153%0.528SS..Hα-helixtrans-93.7-14.8-179.4-75.9168.5-178.6151.70113.6D101 L102 D107 Q108D101-K105 WeakPolarHBondContact O-CB 3.49Å; D101-K105 WeakPolarHBondContact O-CD 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.1Å; D101-K105 PolarHBondContact O-N 2.82Å; L102-K105 PolarHBondContact O-N 2.84Å; K105-D107 PolarHBondContact O-N 3.28Å; K105-Q108 CarbonylContact O-C 3.37Å; K105-Q108 PolarHBondContact O-N 3.26Å; K105-Q108 VanDerWaalsContact O-O 3.13Å
106D62.8Low76.6Confident124 Ų124102 Ų10266%0.66355%0.55SS**THydrogen-bonded Turntrans-61.4-6.8176.9-76.2-24.2000113.8L102L102-D106 PolarHBondContact O-N 3.31Å
107D59.6Low75.9Confident153 Ų15398 Ų9882%0.81853%0.532SS*.THydrogen-bonded Turntrans-80-17.4166.6-71.7-29.9000113.7K105K105-D107 PolarHBondContact O-N 3.28Å
108Q57.1Low75Confident164 Ų164101.6 Ų101.677%0.76654%0.541SS*.SBendtrans-138.496179.8-63.2-134.625.700112.1K105 G110K105-Q108 CarbonylContact O-C 3.37Å; K105-Q108 PolarHBondContact O-N 3.26Å; K105-Q108 VanDerWaalsContact O-O 3.13Å; Q108-G110 PolarHBondContact O-N 3.22Å
109N50.5Low74.2Confident179 Ų179101.8 Ų101.896%0.95755%0.545SS*.  trans-2894.7168.8-163.967.4000114.5
110G51.8Low72.9Confident56 Ų56104.3 Ų104.358%0.57755%0.553SS**  trans-164.2121.7177.400000112Q108 A112Q108-G110 PolarHBondContact O-N 3.22Å; G110-A112 PolarHBondContact O-N 2.95Å
111E56.4Low71.1Confident197 Ų197107 Ų10792%0.92156%0.562SS**  trans-46.398.2-178-60179.2168.600112.3E113E111-E113 PolarHBondContact O-N 3.11Å
112A60.2Low69.3Low35 Ų35106.8 Ų106.829%0.28956%0.563SS.*  trans-72.3112172.100000108.7L102 G110 A114L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 4.27Å; G110-A112 PolarHBondContact O-N 2.95Å; A112-A114 PolarHBondContact O-N 3.2Å; A112-A114 VanDerWaalsContact O-N 3.15Å
113E66.1Low67.8Low151 Ų151109.1 Ų109.171%0.70658%0.576SS**  trans-37.6119.4172.5-76.8-71.4140.800111.3Y98 E111 F115Y98-E113 WeakPolarHBondContact CE2-O 3.36Å; E111-E113 PolarHBondContact O-N 3.11Å; E113-F115 PolarHBondContact O-N 3.27Å
114A75.5Confident66.1Low65 Ų65108.6 Ų108.654%0.53758%0.578SS.*  trans-56.6138.4-177.300000111.4A112 K116A112-A114 PolarHBondContact O-N 3.2Å; A112-A114 VanDerWaalsContact O-N 3.15Å; A114-K116 PolarHBondContact O-N 3.5Å; A114-K116 VanDerWaalsContact O-N 3.12Å
115F85.1Confident64.5Low20 Ų20112.3 Ų112.39%0.08858%0.581CS.*  trans-55.8117.5179.7178.5-91.6000111.9P75 N76 L91 Y95 Y98 E113 A117P75-F115 HydrophobicContact CG-CD1 3.6Å; P75-F115 HydrophobicContact CG-CE1 4.04Å; P75-F115 HydrophobicContact CG-CG 4.32Å; N76-F115 PolarHBondContact ND2-O 3.46Å; L91-F115 HydrophobicContact CD2-CZ 4.43Å; Y95-F115 HydrophobicContact CD2-CB 4.48Å; Y95-F115 HydrophobicContact CD2-CD1 4.35Å; Y95-F115 HydrophobicContact CD2-CD2 4.05Å; Y95-F115 HydrophobicContact CD2-CE2 4.36Å; Y95-F115 HydrophobicContact CD2-CG 4.04Å; Y98-F115 HydrophobicContact CD1-CB 3.8Å; Y98-F115 HydrophobicContact CD1-CD2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.46Å; Y98-F115 HydrophobicContact CD2-CB 4.46Å; Y98-F115 HydrophobicContact CE1-CB 3.82Å; Y98-F115 HydrophobicContact CG-CB 4.1Å; Y98-F115 HydrophobicContact CG-CD2 4.16Å; E113-F115 PolarHBondContact O-N 3.27Å; F115-A117 HydrophobicContact CE1-CB 3.98Å
116K78.8Confident63.6Low166 Ų166110.7 Ų110.772%0.72258%0.575SS**  trans-101.7109.5175.3-68.2179.6-173.2166.30110.4A114 E118A114-K116 PolarHBondContact O-N 3.5Å; A114-K116 VanDerWaalsContact O-N 3.12Å; K116-E118 PolarHBondContact O-N 3.42Å
117A81.6Confident63.5Low17 Ų17109.4 Ų109.414%0.1457%0.565CS.*  trans-69.798.617100000109.8V77 L91 F115 I119V77-A117 HydrophobicContact CG2-CB 3.6Å; L91-A117 HydrophobicContact CD2-CB 4.15Å; F115-A117 HydrophobicContact CE1-CB 3.98Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.89Å
118E76.3Confident63.7Low123 Ų123108.1 Ų108.158%0.57555%0.552SS**  trans-75.785.2-179-155.9-174.9-163.900111.7K87 K116 K120K87-E118 PolarHBondContact NZ-O 3.38Å; K116-E118 PolarHBondContact O-N 3.42Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 HydrophobicContact CG-CG 4.11Å; E118-K120 PolarHBondContact O-N 3.39Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.83Å; E118-K120 PolarHBondContact OE1-NZ 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.2Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å
119I75.1Confident64.3Low56 Ų56106.7 Ų106.729%0.28754%0.54SS..  trans-81.372.6171.6-46.4-66.2000108.9V77 L83 L91 A117 K121V77-I119 HydrophobicContact CG2-CD1 4.04Å; V77-I119 HydrophobicContact CG2-CG1 4.44Å; L83-I119 HydrophobicContact CD2-CD1 3.37Å; L91-I119 HydrophobicContact CD1-CD1 3.8Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.89Å; I119-K121 PolarHBondContact O-N 2.9Å
120K66.7Low65.4Low120 Ų120103.5 Ų103.552%0.52252%0.517SS..  trans-58.3113166.4-65.6-173.7-175.5172.60108E118 T122E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 HydrophobicContact CG-CG 4.11Å; E118-K120 PolarHBondContact O-N 3.39Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.83Å; E118-K120 PolarHBondContact OE1-NZ 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.2Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å; K120-T122 PolarHBondContact O-N 3.28Å
121K55.7Low66.5Low182 Ų182107.2 Ų107.279%0.79152%0.518SS*.  trans-63.775.9175-63.8178.3-179.2179.20109.8I119I119-K121 PolarHBondContact O-N 2.9Å
122T53.1Low67.4Low82 Ų82102.2 Ų102.250%0.50349%0.494SS..  trans-847.6166.352.10000111.6K120 V124 K125 E126K120-T122 PolarHBondContact O-N 3.28Å; T122-V124 PolarHBondContact O-N 3.04Å; T122-K125 PolarHBondContact O-N 3.31Å; T122-K125 VanDerWaalsContact O-N 3.11Å; T122-E126 PolarHBondContact O-N 2.86Å
123D55.6Low68Low93 Ų93106.3 Ų106.350%0.49751%0.51SS..Hα-helixtrans-56.6-35.8-179.5-64.3-79.6000112.3K125 E126 E127D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.43Å; D123-E126 PolarHBondContact O-N 3.27Å; D123-E127 WeakPolarHBondContact O-CB 3.36Å; D123-E127 PolarHBondContact O-N 3.12Å
124V54.7Low68.5Low119 Ų119102.8 Ų102.872%0.72150%0.497SS*.Hα-helixtrans-62.4-37.3179.1-171.10000111.9T122 K128T122-V124 PolarHBondContact O-N 3.04Å; V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.08Å
125K54.2Low68.6Low151 Ų151104.7 Ų104.766%0.65749%0.494SS*.Hα-helixtrans-81.6-29.1-178-168.2167.2-179171.10112.4T122 D123 R129T122-K125 PolarHBondContact O-N 3.31Å; T122-K125 VanDerWaalsContact O-N 3.11Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.43Å; K125-R129 PolarHBondContact O-N 2.83Å; K125-R129 VanDerWaalsContact O-N 3.12Å
126E59.2Low68.2Low72 Ų72108.5 Ų108.534%0.33652%0.515SS..Hα-helixtrans-78.3-40175.1-167174.5157.800111.6T122 D123 K128 R129 K130T122-E126 PolarHBondContact O-N 2.86Å; D123-E126 PolarHBondContact O-N 3.27Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-R129 PolarHBondContact O-N 2.93Å; E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 3.4Å; E126-K130 IonicContact OE1-NZ 2.82Å
127E60.3Low67.8Low96 Ų96105.8 Ų105.845%0.44951%0.507SS..Hα-helixtrans-65.4-39.5173.9-152.867.5-158.500110.9D123 K130 K131D123-E127 WeakPolarHBondContact O-CB 3.36Å; D123-E127 PolarHBondContact O-N 3.12Å; E127-K130 PolarHBondContact O-N 3.29Å; E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CG 3.32Å; E127-K131 PolarHBondContact O-N 2.95Å
128K62.8Low67.3Low127 Ų127109.6 Ų109.655%0.55252%0.521SS*.Hα-helixtrans-61.6-45.6171.6-175.3171.7176.8172.80111.6V124 E126 K130 K131 E132V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.08Å; E126-K128 VanDerWaalsContact C-N 3.35Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 2.83Å; K128-K131 PolarHBondContact O-N 3.38Å; K128-E132 WeakPolarHBondContact CE-OE1 3.32Å; K128-E132 HydrophobicContact CG-CG 4.43Å; K128-E132 WeakPolarHBondContact CG-OE1 3.37Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.2Å; K128-E132 PolarHBondContact O-N 3.24Å
129R71.4Confident66.8Low134 Ų134107 Ų10751%0.50652%0.517SS..Hα-helixtrans-61.6-38.1174.1-94.9-173.6-77.5127.2-3113K125 E126 L133K125-R129 PolarHBondContact O-N 2.83Å; K125-R129 VanDerWaalsContact O-N 3.12Å; E126-R129 PolarHBondContact O-N 2.93Å; R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 PolarHBondContact O-N 2.92Å
130K72.9Confident66.1Low111 Ų111108.5 Ų108.548%0.48353%0.528SS..Hα-helixtrans-67.7-41.9175.3-78.4174.9-178.71650112E126 E127 K128 N134E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 3.4Å; E126-K130 IonicContact OE1-NZ 2.82Å; E127-K130 PolarHBondContact O-N 3.29Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 2.83Å; K130-N134 VanDerWaalsContact O-CB 3.31Å; K130-N134 WeakPolarHBondContact O-CB 3.45Å; K130-N134 PolarHBondContact O-N 2.81Å
131K74.3Confident65.7Low135 Ų135106.9 Ų106.959%0.58753%0.528SS*.Hα-helixtrans-65.6-43.7175.2-74.4176.4-179179.60111.4E127 K128 N134 E135E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CG 3.32Å; E127-K131 PolarHBondContact O-N 2.95Å; K128-K131 PolarHBondContact O-N 3.38Å; K131-N134 PolarHBondContact O-N 2.83Å; K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.4Å; K131-E135 PolarHBondContact O-N 3.31Å
132E75.6Confident65.5Low91 Ų91103.3 Ų103.343%0.42553%0.526SS..Hα-helixtrans-61.9-46.1174.7-76.5170.2179.500111.7K128 N134 E135 I136K128-E132 WeakPolarHBondContact CE-OE1 3.32Å; K128-E132 HydrophobicContact CG-CG 4.43Å; K128-E132 WeakPolarHBondContact CG-OE1 3.37Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.2Å; K128-E132 PolarHBondContact O-N 3.24Å; E132-N134 VanDerWaalsContact C-N 3.29Å; E132-N134 PolarHBondContact O-N 3.01Å; E132-E135 PolarHBondContact O-N 3.25Å; E132-I136 WeakPolarHBondContact O-CB 3.18Å; E132-I136 WeakPolarHBondContact O-CD1 3.33Å; E132-I136 WeakPolarHBondContact O-CG1 3.4Å; E132-I136 PolarHBondContact O-N 3.48Å
133L72.5Confident65.4Low121 Ų121104 Ų10463%0.63453%0.534SS*.Hα-helixtrans-60.1-39.2174-91.6164.6000112.4R129 L137R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 PolarHBondContact O-N 2.92Å; L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.04Å
134N76.3Confident64.9Low78 Ų78105.7 Ų105.742%0.41754%0.543SS..Hα-helixtrans-70.8-38.3178.4-164.526.7000111.9K130 K131 E132 L137 K138K130-N134 VanDerWaalsContact O-CB 3.31Å; K130-N134 WeakPolarHBondContact O-CB 3.45Å; K130-N134 PolarHBondContact O-N 2.81Å; K131-N134 PolarHBondContact O-N 2.83Å; E132-N134 VanDerWaalsContact C-N 3.29Å; E132-N134 PolarHBondContact O-N 3.01Å; N134-L137 PolarHBondContact O-N 3.15Å; N134-K138 WeakPolarHBondContact O-CB 3Å; N134-K138 WeakPolarHBondContact O-CG 3.5Å; N134-K138 PolarHBondContact O-N 3.21Å
135E78.7Confident64.6Low105 Ų105106.8 Ų106.849%0.49155%0.545SS..Hα-helixtrans-70.3-38.9175.4-74.8-54.1123.400112.3K131 E132 L137 K138 S139K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.4Å; K131-E135 PolarHBondContact O-N 3.31Å; E132-E135 PolarHBondContact O-N 3.25Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.84Å; E135-K138 PolarHBondContact O-N 3.01Å; E135-K138 IonicContact OE1-NZ 3.76Å; E135-K138 PolarHBondContact OE1-NZ 3.05Å; E135-S139 WeakPolarHBondContact O-CB 3.1Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 3.13Å
136I76Confident64.5Low100 Ų100108.9 Ų108.951%0.51355%0.554SS.*Hα-helixtrans-63-40.4171.6-67.7163.3000110.6E132 S139 T140E132-I136 WeakPolarHBondContact O-CB 3.18Å; E132-I136 WeakPolarHBondContact O-CD1 3.33Å; E132-I136 WeakPolarHBondContact O-CG1 3.4Å; E132-I136 PolarHBondContact O-N 3.48Å; I136-S139 WeakPolarHBondContact CA-OG 3.27Å; I136-S139 PolarHBondContact O-OG 2.96Å; I136-T140 VanDerWaalsContact O-CB 3.3Å; I136-T140 WeakPolarHBondContact O-CB 3.3Å; I136-T140 PolarHBondContact O-N 3.02Å; I136-T140 PolarHBondContact O-OG1 2.68Å
137L71.2Confident64.2Low108 Ų108114.2 Ų114.257%0.56558%0.576SS**Hα-helixtrans-64.2-43.1176.6-175.765.4000111.4L133 N134 E135 V141L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.04Å; N134-L137 PolarHBondContact O-N 3.15Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.84Å; L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 2.83Å
138K70.4Confident64Low97 Ų97115.3 Ų115.342%0.42259%0.59SS.*Hα-helixtrans-65.9-44.8176.2-76.7-179.4-159164.90112.9N134 E135 T140 V141 S142N134-K138 WeakPolarHBondContact O-CB 3Å; N134-K138 WeakPolarHBondContact O-CG 3.5Å; N134-K138 PolarHBondContact O-N 3.21Å; E135-K138 PolarHBondContact O-N 3.01Å; E135-K138 IonicContact OE1-NZ 3.76Å; E135-K138 PolarHBondContact OE1-NZ 3.05Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å; K138-V141 WeakPolarHBondContact O-CG2 3.42Å; K138-V141 PolarHBondContact O-N 3.46Å; K138-V141 VanDerWaalsContact O-N 3.13Å; K138-S142 PolarHBondContact O-N 2.76Å
139S65.7Low63.6Low70 Ų70116.1 Ų116.149%0.4959%0.593SS.*Hα-helixtrans-64.4-35.6178.267.10000111.7E135 I136 V141 S142 S143E135-S139 WeakPolarHBondContact O-CB 3.1Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 3.13Å; I136-S139 WeakPolarHBondContact CA-OG 3.27Å; I136-S139 PolarHBondContact O-OG 2.96Å; S139-V141 VanDerWaalsContact C-N 3.3Å; S139-V141 PolarHBondContact O-N 3.43Å; S139-S142 PolarHBondContact O-N 2.96Å; S139-S143 PolarHBondContact O-N 3.41Å
140T60.1Low63Low86 Ų86111 Ų11153%0.52858%0.582SS.*Hα-helixtrans-67.3-27.8175-56.40000112.8I136 K138I136-T140 VanDerWaalsContact O-CB 3.3Å; I136-T140 WeakPolarHBondContact O-CB 3.3Å; I136-T140 PolarHBondContact O-N 3.02Å; I136-T140 PolarHBondContact O-OG1 2.68Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å
141V58.2Low62.5Low86 Ų86116.4 Ų116.452%0.52160%0.6SS.*Hα-helixtrans-90-22.3176.3-68.40000114.2L137 K138 S139L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 2.83Å; K138-V141 WeakPolarHBondContact O-CG2 3.42Å; K138-V141 PolarHBondContact O-N 3.46Å; K138-V141 VanDerWaalsContact O-N 3.13Å; S139-V141 VanDerWaalsContact C-N 3.3Å; S139-V141 PolarHBondContact O-N 3.43Å
142S52.2Low62.3Low108 Ų108113 Ų11376%0.75559%0.59SS**Hα-helixtrans-80.6-19.6177.4-77.30000114.6K138 S139K138-S142 PolarHBondContact O-N 2.76Å; S139-S142 PolarHBondContact O-N 2.96Å
143S51.1Low62.1Low96 Ų96110.6 Ų110.667%0.67159%0.59SS**SBendtrans-97.59.7-170.9-161.70000116.5S139S139-S143 PolarHBondContact O-N 3.41Å
144N44.8Very low62Low128 Ų128112.4 Ų112.468%0.68459%0.589SS**  trans-131.2100.4-179.6-82.8-23.8000112.4K146N144-K146 PolarHBondContact O-N 3.25Å
145D49Very low61.9Low142 Ų142111.8 Ų111.876%0.75959%0.589SS**SBendtrans-43118.5151.9-81.6-81.3000110.6K147D145-K147 PolarHBondContact O-N 3.33Å
146K52.4Low61.3Low195 Ų195113.1 Ų113.185%0.84860%0.595SS**SBendtrans4276.5154.2-58.2174.4-178.8138.90115.2N144N144-K146 PolarHBondContact O-N 3.25Å
147K52.8Low61.1Low184 Ų184114.3 Ų114.380%0.860%0.598SS**  trans-133.5122.5159.8-114.9156.4-178.31640112D145 K149D145-K147 PolarHBondContact O-N 3.33Å; K147-K149 PolarHBondContact O-N 2.81Å
148T56.8Low61.1Low119 Ų119111.9 Ų111.973%0.7359%0.588SS**  trans-48.796.2-175.945.40000111.7G150T148-G150 PolarHBondContact O-N 3.06Å
149K53.4Low60.8Low145 Ų145113.6 Ų113.663%0.6359%0.592SS**  trans-72.9103.9175.9-149.3153.5-173.7168.50107.6K147 G153K147-K149 PolarHBondContact O-N 2.81Å; K149-G153 WeakPolarHBondContact CE-O 3.18Å
150G59.1Low60.9Low27 Ų27113.2 Ų113.228%0.27859%0.593SS.*  trans-58.8169.5176.400000112.3T148 T152 G153T148-G150 PolarHBondContact O-N 3.06Å; G150-T152 PolarHBondContact O-N 3.49Å; G150-G153 PolarHBondContact O-N 3.4Å; G150-G153 VanDerWaalsContact O-N 3.15Å
151R63.1Low61Low224 Ų224115.8 Ų115.885%0.84560%0.603SS**THydrogen-bonded Turntrans-51.2-10.3-169.1-160.8175.7-179-164.34.7117.1
152T69.6Low61.1Low62 Ų62120 Ų12038%0.3862%0.617SS.*THydrogen-bonded Turntrans-121.80.6-170.854.40000114.6G150 W154 W159G150-T152 PolarHBondContact O-N 3.49Å; T152-W154 PolarHBondContact O-N 3.31Å; T152-W159 HydrophobicContact CG2-CH2 3.03Å; T152-W159 HydrophobicContact CG2-CZ2 3.33Å; T152-W159 HydrophobicContact CG2-CZ3 4.07Å; T152-W159 WeakPolarHBondContact OG1-CH2 3.41Å; T152-W159 WeakPolarHBondContact OG1-CZ2 3.38Å; T152-W159 WeakPolarHBondContact OG1-CZ3 3.44Å
153G69.9Low61.3Low42 Ų42122 Ų12243%0.43362%0.618SS.*SBendtrans76.2-2.9175.700000115.2K149 G150K149-G153 WeakPolarHBondContact CE-O 3.18Å; G150-G153 PolarHBondContact O-N 3.4Å; G150-G153 VanDerWaalsContact O-N 3.15Å
154W70.8Confident61.5Low159 Ų159126.5 Ų126.560%0.60263%0.626SS**SBendtrans-94.4145.3173.8-71.388.7000111.5T152 Q156 V158T152-W154 PolarHBondContact O-N 3.31Å; W154-Q156 PolarHBondContact O-N 3.37Å; W154-V158 HydrophobicContact CE3-CG1 4.21Å
155P75.1Confident61.8Low65 Ų65133.3 Ų133.342%0.42265%0.653SS.*  trans-60.6132.6173.7-2032000111H157 V158P155-H157 WeakPolarHBondContact CB-CE1 2.79Å; P155-H157 PolarHBondContact O-N 3.36Å; P155-H157 VanDerWaalsContact O-N 3.08Å; P155-V158 HydrophobicContact CB-CG2 4.08Å; P155-V158 HydrophobicContact CG-CG2 4.19Å; P155-V158 WeakPolarHBondContact O-CB 3.21Å; P155-V158 PolarHBondContact O-N 3.46Å
156Q66.3Low62.4Low132 Ų132132.9 Ų132.962%0.61765%0.648SS**Hα-helixtrans-54-34-174-79179.5-30.500114.1W154 V158 W159 A160W154-Q156 PolarHBondContact O-N 3.37Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.26Å; Q156-W159 PolarHBondContact O-N 3.37Å; Q156-A160 PolarHBondContact O-N 3.44Å
157H71.1Confident62.9Low126 Ų126129.6 Ų129.658%0.58364%0.638SS**Hα-helixtrans-67.7-29179.367.6-93.6000113.1P155 W159 A160 L161P155-H157 WeakPolarHBondContact CB-CE1 2.79Å; P155-H157 PolarHBondContact O-N 3.36Å; P155-H157 VanDerWaalsContact O-N 3.08Å; H157-W159 VanDerWaalsContact C-N 3.3Å; H157-W159 PolarHBondContact O-N 2.96Å; H157-A160 PolarHBondContact O-N 3.44Å; H157-L161 WeakPolarHBondContact O-CG 2.94Å; H157-L161 PolarHBondContact O-N 3.18Å
158V71Confident63.5Low57 Ų57126.6 Ų126.635%0.34563%0.629SS.*Hα-helixtrans-67.5-34178.4177.20000110.9W154 P155 Q156W154-V158 HydrophobicContact CE3-CG1 4.21Å; P155-V158 HydrophobicContact CB-CG2 4.08Å; P155-V158 HydrophobicContact CG-CG2 4.19Å; P155-V158 WeakPolarHBondContact O-CB 3.21Å; P155-V158 PolarHBondContact O-N 3.46Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.26Å
159W64.8Low63.9Low132 Ų132127.1 Ų127.150%0.562%0.623SS.*Hα-helixtrans-77.5-33.2174.8-82.5-18000114.3T152 Q156 H157 L161 E162T152-W159 HydrophobicContact CG2-CH2 3.03Å; T152-W159 HydrophobicContact CG2-CZ2 3.33Å; T152-W159 HydrophobicContact CG2-CZ3 4.07Å; T152-W159 WeakPolarHBondContact OG1-CH2 3.41Å; T152-W159 WeakPolarHBondContact OG1-CZ2 3.38Å; T152-W159 WeakPolarHBondContact OG1-CZ3 3.44Å; Q156-W159 PolarHBondContact O-N 3.37Å; H157-W159 VanDerWaalsContact C-N 3.3Å; H157-W159 PolarHBondContact O-N 2.96Å; W159-L161 PolarHBondContact O-N 3.08Å; W159-E162 PolarHBondContact O-N 3.45Å
160A66.7Low64.5Low63 Ų63125.9 Ų125.952%0.52162%0.622SS.*Hα-helixtrans-67.7-26.6-178.500000112.6Q156 H157 E162 L163Q156-A160 PolarHBondContact O-N 3.44Å; H157-A160 PolarHBondContact O-N 3.44Å; A160-E162 VanDerWaalsContact C-N 3.34Å; A160-L163 PolarHBondContact O-N 2.99Å
161L62.9Low64.9Low139 Ų139132.5 Ų132.573%0.72865%0.645SS**G310 helixtrans-74-20.8-180-69.5169000113.6H157 W159 L163H157-L161 WeakPolarHBondContact O-CG 2.94Å; H157-L161 PolarHBondContact O-N 3.18Å; W159-L161 PolarHBondContact O-N 3.08Å; L161-L163 PolarHBondContact O-N 3.43Å
162E60Low65Low174 Ų174126 Ų12681%0.81363%0.631SS**G310 helixtrans-76.1-4.5177.4-160.486.3-145.800112.8W159 A160W159-E162 PolarHBondContact O-N 3.45Å; A160-E162 VanDerWaalsContact C-N 3.34Å
163L57.3Low64.7Low150 Ų150130.9 Ų130.979%0.78565%0.65SS**G310 helixtrans-111.114.7-174.4-68.9173.8000114.6A160 L161A160-L163 PolarHBondContact O-N 2.99Å; L161-L163 PolarHBondContact O-N 3.43Å
164K54.6Low64.2Low192 Ų192138.3 Ų138.384%0.83567%0.668SS**  trans-11989.4169.3-79.717379.7104.50110.5
165Q50.3Low63.6Low271 Ų271136.5 Ų136.5100%1.26667%0.674SS**  trans-105.50141-75.8-147.817.300108.2

Retrieved 165 of 165 residues in 352.6 ms (Link to these results)