A0A060KS66_HUMAN Loading...

RNase kappa-02 isoform

AlphaFold DB , UniProt , Accession A0A060KS66, Species HUMAN (Homo sapiens, Human), Gene RNaseK, Length 134 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
1M35.3Very low45.4Very low253 Ų253137.6 Ų137.6100%1.24686%0.856SS**  0133.40-76152.4170.700107.4
2V41.1Very low45.3Very low140 Ų140135.9 Ų135.985%0.84885%0.848SS**  trans-85138.4-173.1167.60000109.9
3E40.1Very low44.8Very low189 Ų189135.4 Ų135.488%0.88385%0.85SS**  trans-157.799.4156-139.5175.9104.800105.9
4A45.1Very low44.6Very low88 Ų88138.8 Ų138.873%0.72785%0.851SS**  63.598.372.500000114.2
5G40.8Very low43.9Very low82 Ų82134.7 Ų134.785%0.84585%0.847SS**  trans103.2106.3140.500000118.7
6A41.3Very low43.8Very low104 Ų104136.9 Ų136.986%0.8685%0.849SS**  trans-175.997.3134.300000110.7
7T50.9Low43.4Very low141 Ų141138.5 Ų138.587%0.86585%0.849SS**PPolyproline II helixtrans-84129.316624.70000110.1
8P57.3Low42.8Very low116 Ų116135 Ų13575%0.75385%0.846SS**PPolyproline II helixtrans-80.6156167.330.4-31.5000112.3
9P46.5Very low42.4Very low126 Ų126138.1 Ų138.182%0.81885%0.846SS**PPolyproline II helixtrans-76.4145.6-159.430.4-36.1000114.8
10L49.2Very low41.9Very low168 Ų168138.7 Ų138.788%0.8884%0.843SS**PPolyproline II helixtrans-71.2135.7172.5-73160.4000111.5
11P52.4Low41.9Very low107 Ų107137 Ų13770%0.69584%0.835SS**PPolyproline II helixtrans-77154.4164.531.3-31.9000111.6
12P43.4Very low42.2Very low117 Ų117131 Ų13176%0.7681%0.814SS**PPolyproline II helixtrans-71.5134.1-163.227.3-34.4000114.1E14P12-E14 PolarHBondContact O-N 2.78Å
13C39.3Very low42.4Very low129 Ų129132.3 Ų132.387%0.87282%0.816SS**  trans-75.689.1165.1-69.70000109.9
14E42.5Very low42.5Very low183 Ų183128.6 Ų128.686%0.85581%0.811SS**  trans-119117.7167.1-75.2-74.612000108.5P12P12-E14 PolarHBondContact O-N 2.78Å
15G33.7Very low42.2Very low78 Ų78133 Ų13380%0.80482%0.816SS**  trans126.551165.200000117.3L17G15-L17 PolarHBondContact O-N 2.77Å
16I42.7Very low42.2Very low170 Ų170134.9 Ų134.987%0.87281%0.814SS**  trans-76.3103.2151.2-64.8169.1000107
17L36.8Very low42.2Very low163 Ų163134.4 Ų134.485%0.85381%0.809SS**  trans-171.8106.6140.1-134.769.4000111.1G15G15-L17 PolarHBondContact O-N 2.77Å
18G31.3Very low41.7Very low76 Ų76133.5 Ų133.578%0.78481%0.807SS**  trans-175.651.2176.200000111.5L20G18-L20 PolarHBondContact O-N 3.11Å
19F36.7Very low41.2Very low194 Ų194133.7 Ų133.785%0.85181%0.807SS**  trans-47.6117167.7-105.5-108.7000110.8
20L31.3Very low41Very low149 Ų149133.6 Ų133.678%0.7881%0.809SS**  176.1114.5106.2-165.269000111.3G18G18-L20 PolarHBondContact O-N 3.11Å
21P43Very low41Very low105 Ų105130 Ų13068%0.68280%0.804SS**  trans-85.2137.9164.832-29.7000110.8L23P21-L23 VanDerWaalsContact C-N 3.34Å; P21-L23 PolarHBondContact O-N 2.9Å; P21-L23 VanDerWaalsContact O-N 3.09Å
22P40.5Very low40.9Very low125 Ų125130.2 Ų130.281%0.81280%0.798SS**  trans-7794.1157.930-28000108.7S24P22-S24 PolarHBondContact O-N 2.96Å
23L45.3Very low41.1Very low169 Ų169128.9 Ų128.989%0.88579%0.789SS**  trans7.792.9135.3-156.4106.7000115.8P21P21-L23 VanDerWaalsContact C-N 3.34Å; P21-L23 PolarHBondContact O-N 2.9Å; P21-L23 VanDerWaalsContact O-N 3.09Å
24S42.9Very low41.9Very low110 Ų110129.2 Ų129.277%0.76978%0.782SS**  trans-176.275.9143.764.60000111.4P22P22-S24 PolarHBondContact O-N 2.96Å
25E39.1Very low42.3Very low182 Ų182126 Ų12685%0.8578%0.78SS**  trans-92.4123159.9-69.3-168.698.900109A27E25-A27 PolarHBondContact O-N 3.3Å
26P40.3Very low43.1Very low121 Ų121127.5 Ų127.579%0.78677%0.769SS**  trans-81.892.2164.131.2-28.3000109.5C28P26-C28 PolarHBondContact O-N 3.12Å
27A42.2Very low43.5Very low93 Ų93124.6 Ų124.677%0.76976%0.755SS**SBend33.147129.200000120.4E25E25-A27 PolarHBondContact O-N 3.3Å
28C39.8Very low44.3Very low122 Ų122127.2 Ų127.282%0.82476%0.755SS**  trans-145.746.8169.3-910000113.6P26P26-C28 PolarHBondContact O-N 3.12Å
29T45.8Very low45.3Very low121 Ų121126 Ų12674%0.74274%0.742SS**  trans-115.618.1172.735.80000113.7A31T29-A31 PolarHBondContact O-N 3.37Å
30S42.4Very low46.2Very low123 Ų123120.2 Ų120.286%0.8672%0.723SS**THydrogen-bonded Turntrans-93.125.1-175.470.10000115.7
31A48.8Very low47.4Very low94 Ų94115.5 Ų115.578%0.77771%0.705SS**THydrogen-bonded Turntrans-14834.1179.200000115.2T29T29-A31 PolarHBondContact O-N 3.37Å
32I51Low47.9Very low111 Ų111114.5 Ų114.557%0.56970%0.699SS**SBendtrans-122.6119171.8-52.2178.5000108D34I32-D34 PolarHBondContact O-N 3.49Å
33P47Very low48.7Very low88 Ų88113.2 Ų113.257%0.57169%0.689SS**  trans-64.2133.2-179.226-32.9000110.8S35 L36P33-S35 PolarHBondContact O-N 2.8Å; P33-L36 PolarHBondContact O-N 3.23Å; P33-L36 VanDerWaalsContact O-N 3.1Å
34D56.4Low48.9Very low136 Ų136111 Ų11173%0.72768%0.677SS**G310 helixtrans-55.1-16.7-173.3-61.8-80.4000114.9I32 L36I32-D34 PolarHBondContact O-N 3.49Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 3.44Å
35S51.8Low49.4Very low116 Ų116116 Ų11681%0.81168%0.679SS**G310 helixtrans-72.7-17.9178.3-47.20000114.4P33P33-S35 PolarHBondContact O-N 2.8Å
36L50.2Low50Low110 Ų110110.8 Ų110.858%0.57667%0.667SS**G310 helixtrans-90.2-15.6-177.5-142.694.4000113.4P33 D34 V40P33-L36 PolarHBondContact O-N 3.23Å; P33-L36 VanDerWaalsContact O-N 3.1Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 3.44Å; L36-V40 HydrophobicContact CD2-CG2 4.42Å; L36-V40 HydrophobicContact CG-CG2 4.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å
37L50.6Low50.4Low109 Ų109111.6 Ų111.657%0.57166%0.661SS**Hα-helixtrans-80.2-26.7-169.6-135.2143.9000112.7A41L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.12Å
38Y53.8Low50.8Low217 Ų217110 Ų11085%0.85165%0.648SS**Hα-helixtrans-80.7-21.6-178.1-91.5-89.8000114.8
39G52.1Low51.2Low51 Ų51107 Ų10753%0.52664%0.637SS.*Hα-helixtrans-99.4-34.1-177.400000114.8
40V56.5Low51.2Low73 Ų73112 Ų11244%0.44264%0.642SS.*Hα-helixtrans-94.9-26.1-169.5-168.20000112.3L36 V43 L44L36-V40 HydrophobicContact CD2-CG2 4.42Å; L36-V40 HydrophobicContact CG-CG2 4.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; V40-V43 PolarHBondContact O-N 3.36Å; V40-L44 VanDerWaalsContact O-CB 3.31Å; V40-L44 WeakPolarHBondContact O-CB 2.91Å; V40-L44 PolarHBondContact O-N 2.89Å
41A56Low51.3Low50 Ų50113.3 Ų113.341%0.41364%0.639SS.*Hα-helixtrans-56.8-44.2179.200000114.8L37 W45L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.12Å; A41-W45 WeakPolarHBondContact O-CB 3.42Å; A41-W45 PolarHBondContact O-N 3.28Å; A41-W45 VanDerWaalsContact O-N 3.08Å
42P53.7Low51.5Low84 Ų84119.4 Ų119.455%0.54564%0.642SS.*Hα-helixtrans-71.8-32.5-18025.5-31.8000113A46P42-A46 PolarHBondContact O-N 3.07Å
43V56.5Low51Low98 Ų98122.5 Ų122.559%0.59465%0.653SS**Hα-helixtrans-73.2-40.5177.6-179.50000110.9V40 W45 A46 E47V40-V43 PolarHBondContact O-N 3.36Å; V43-W45 VanDerWaalsContact C-N 3.34Å; V43-W45 PolarHBondContact O-N 2.98Å; V43-A46 PolarHBondContact O-N 3.33Å; V43-E47 PolarHBondContact O-N 3.41Å
44L50.5Low51.1Low121 Ų121129 Ų12963%0.63467%0.666SS**Hα-helixtrans-68.6-32.7178.1-160.672.2000112.2V40 A48V40-L44 VanDerWaalsContact O-CB 3.31Å; V40-L44 WeakPolarHBondContact O-CB 2.91Å; V40-L44 PolarHBondContact O-N 2.89Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.31Å
45W53.1Low50.4Low215 Ų215128.2 Ų128.281%0.81467%0.669SS**Hα-helixtrans-71.3-37.8174.3-163.9-72.6000112.5A41 V43 E47 A48 G49A41-W45 WeakPolarHBondContact O-CB 3.42Å; A41-W45 PolarHBondContact O-N 3.28Å; A41-W45 VanDerWaalsContact O-N 3.08Å; V43-W45 VanDerWaalsContact C-N 3.34Å; V43-W45 PolarHBondContact O-N 2.98Å; W45-E47 VanDerWaalsContact C-N 3.33Å; W45-E47 PolarHBondContact O-N 3.01Å; W45-A48 PolarHBondContact O-N 3.36Å; W45-G49 PolarHBondContact O-N 3.27Å
46A51.7Low50.4Low74 Ų74130.1 Ų130.161%0.61267%0.665SS**Hα-helixtrans-65.2-35.9176.800000112.3P42 V43P42-A46 PolarHBondContact O-N 3.07Å; V43-A46 PolarHBondContact O-N 3.33Å
47E48.3Very low50.2Low138 Ų138135.8 Ų135.865%0.64568%0.679SS**Hα-helixtrans-77.1-34.9176.8-148.294.5127.900112.2V43 W45 G49V43-E47 PolarHBondContact O-N 3.41Å; W45-E47 VanDerWaalsContact C-N 3.33Å; W45-E47 PolarHBondContact O-N 3.01Å; E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.08Å
48A50Low50.4Low60 Ų60134.7 Ų134.750%0.49667%0.673SS.*Hα-helixtrans-73.2-18.2-178.500000114.4L44 W45 R50L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.31Å; W45-A48 PolarHBondContact O-N 3.36Å; A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 2.89Å
49G48.4Very low50.3Low58 Ų58127.1 Ų127.160%0.59866%0.661SS**THydrogen-bonded Turntrans-69.4-22.5177.400000114.6W45 E47W45-G49 PolarHBondContact O-N 3.27Å; E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.08Å
50R46.1Very low50.4Low225 Ų225128.2 Ų128.285%0.84966%0.661SS**THydrogen-bonded Turntrans-91.9-7.2-174.9-143.7-166.7-61.6-112.93.8114.5A48A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 2.89Å
51L45.7Very low50.4Low151 Ų151129.4 Ų129.479%0.79167%0.665SS**SBendtrans-101.61-178.2-91.8143.5000113.9H53L51-H53 VanDerWaalsContact C-N 3.31Å; L51-H53 PolarHBondContact O-N 2.93Å
52R51.2Low50.4Low222 Ų222132.7 Ų132.784%0.83867%0.671SS**THydrogen-bonded Turntrans-89.335.4-174.1-150.4166.8-153.9140.74.7114.6
53H42.4Very low50.5Low176 Ų176134 Ų13482%0.81567%0.673SS**THydrogen-bonded Turntrans-14714.9178.8-125.5-69000117.8L51L51-H53 VanDerWaalsContact C-N 3.31Å; L51-H53 PolarHBondContact O-N 2.93Å
54R48.2Very low50.5Low224 Ų224135.1 Ų135.185%0.84567%0.673SS**SBendtrans-107.5115.9164.3-70.2-67.1-172.91630.6109.1Q56R54-Q56 PolarHBondContact O-N 3.07Å
55P42.7Very low51Low120 Ų120134.3 Ų134.378%0.77967%0.668SS**  trans-67.999.617428.6-31.2000108R57P55-R57 PolarHBondContact O-N 3.44Å
56Q49.8Very low51.2Low156 Ų156126 Ų12673%0.72965%0.65SS**  trans-70.679.2167.6-89.3-173.9-25.100108.9R54 L58R54-Q56 PolarHBondContact O-N 3.07Å; Q56-L58 HydrophobicContact CB-CB 4Å; Q56-L58 HydrophobicContact CG-CB 4.38Å; Q56-L58 HydrophobicContact CG-CD1 4.27Å; Q56-L58 HydrophobicContact CG-CD2 4.49Å; Q56-L58 PolarHBondContact O-N 3.26Å
57R47.3Very low51.7Low230 Ų230127.1 Ų127.187%0.86864%0.644SS**  trans-72.364.1153-97.2-138.4-175-152.34.9108.2P55 G59P55-R57 PolarHBondContact O-N 3.44Å; R57-G59 PolarHBondContact O-N 3.4Å
58L53.6Low51.9Low85 Ų85127.8 Ų127.845%0.44565%0.645SS.*  trans-95.563.5-170.8-15378.5000109.7Q56 H62Q56-L58 HydrophobicContact CB-CB 4Å; Q56-L58 HydrophobicContact CG-CB 4.38Å; Q56-L58 HydrophobicContact CG-CD1 4.27Å; Q56-L58 HydrophobicContact CG-CD2 4.49Å; Q56-L58 PolarHBondContact O-N 3.26Å; L58-H62 WeakPolarHBondContact CD1-CE1 3.38Å; L58-H62 VanDerWaalsContact CD1-NE2 3.35Å; L58-H62 WeakPolarHBondContact CD1-NE2 3.48Å
59G53.5Low52Low59 Ų59131.6 Ų131.661%0.60865%0.651SS**SBendtrans-115-33.9-170.700000115.8R57R57-G59 PolarHBondContact O-N 3.4Å
60S54.2Low52.2Low73 Ų73133.5 Ų133.551%0.5165%0.647SS.*SBendtrans-141.3-32.5-165.739.80000112.9I63 M64S60-I63 PolarHBondContact O-N 2.99Å; S60-M64 PolarHBondContact O-N 2.72Å
61D55.7Low52.5Low99 Ų99127.7 Ų127.753%0.52964%0.637SS.*Hα-helixtrans-77-32.6-168.6-31.8-44000110.3L65D61-L65 WeakPolarHBondContact O-CB 3Å; D61-L65 PolarHBondContact O-N 3.35Å
62H55.1Low52.6Low118 Ų118125.6 Ų125.655%0.54662%0.623SS.*Hα-helixtrans-72.2-29.7174.8-82.9-139.9000113.6L58 G66L58-H62 WeakPolarHBondContact CD1-CE1 3.38Å; L58-H62 VanDerWaalsContact CD1-NE2 3.35Å; L58-H62 WeakPolarHBondContact CD1-NE2 3.48Å; H62-G66 PolarHBondContact O-N 3.16Å
63I57.4Low52.5Low113 Ų113118.2 Ų118.258%0.57961%0.605SS**Hα-helixtrans-76-40.9178.6-62-160.8000110.4S60 G66 I67S60-I63 PolarHBondContact O-N 2.99Å; I63-G66 PolarHBondContact O-N 3.13Å; I63-I67 HydrophobicContact CG2-CD1 4.02Å; I63-I67 WeakPolarHBondContact O-CG1 3.44Å; I63-I67 PolarHBondContact O-N 3.46Å; I63-I67 VanDerWaalsContact O-N 3.08Å
64M56Low52.8Low121 Ų121114.3 Ų114.360%0.59660%0.603SS**Hα-helixtrans-64.3-42.7171.7-74.3-66.9169.300111.1S60 G66 I67 F68S60-M64 PolarHBondContact O-N 2.72Å; M64-G66 VanDerWaalsContact C-N 3.32Å; M64-G66 PolarHBondContact O-N 3.49Å; M64-I67 PolarHBondContact O-N 3.14Å; M64-F68 VanDerWaalsContact O-CD2 3.32Å; M64-F68 WeakPolarHBondContact O-CD2 3.37Å; M64-F68 PolarHBondContact O-N 3.44Å
65L60Low52.8Low103 Ų103106.8 Ų106.854%0.53958%0.582SS.*Hα-helixtrans-59.6-42.4173.6-136.681.2000111.8D61 I67 F68 F69D61-L65 WeakPolarHBondContact O-CB 3Å; D61-L65 PolarHBondContact O-N 3.35Å; L65-I67 PolarHBondContact O-N 3.36Å; L65-F68 PolarHBondContact O-N 3.5Å; L65-F69 HydrophobicContact CD2-CD2 4.38Å; L65-F69 HydrophobicContact CD2-CE2 4.04Å; L65-F69 HydrophobicContact CG-CD2 4.11Å; L65-F69 HydrophobicContact CG-CE2 4.07Å; L65-F69 WeakPolarHBondContact O-CB 3.35Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.36Å
66G57.6Low53Low42 Ų42103.4 Ų103.443%0.43356%0.557SS.*Hα-helixtrans-64.3-35179.500000114.1H62 I63 M64 N70H62-G66 PolarHBondContact O-N 3.16Å; I63-G66 PolarHBondContact O-N 3.13Å; M64-G66 VanDerWaalsContact C-N 3.32Å; M64-G66 PolarHBondContact O-N 3.49Å; G66-N70 WeakPolarHBondContact O-CB 3.29Å; G66-N70 PolarHBondContact O-N 3.39Å
67I62.8Low53.2Low96 Ų96100.7 Ų100.749%0.49255%0.547SS..Hα-helixtrans-75.9-39.8177.2-63.5162000111I63 M64 L65 N70 V71I63-I67 HydrophobicContact CG2-CD1 4.02Å; I63-I67 WeakPolarHBondContact O-CG1 3.44Å; I63-I67 PolarHBondContact O-N 3.46Å; I63-I67 VanDerWaalsContact O-N 3.08Å; M64-I67 PolarHBondContact O-N 3.14Å; L65-I67 PolarHBondContact O-N 3.36Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.48Å; I67-V71 PolarHBondContact O-N 3.15Å; I67-V71 VanDerWaalsContact O-N 3.15Å
68F51.9Low53.5Low152 Ų15297.6 Ų97.667%0.66754%0.542SS*.Hα-helixtrans-67.7-35.1175.2-85.4-77.2000112.5M64 L65 V71 H72M64-F68 VanDerWaalsContact O-CD2 3.32Å; M64-F68 WeakPolarHBondContact O-CD2 3.37Å; M64-F68 PolarHBondContact O-N 3.44Å; L65-F68 PolarHBondContact O-N 3.5Å; F68-V71 PolarHBondContact O-N 3.27Å; F68-H72 WeakPolarHBondContact O-CB 3.32Å; F68-H72 PolarHBondContact O-N 3.39Å; F68-H72 VanDerWaalsContact O-N 3.12Å
69F51.4Low53.2Low141 Ų141100.2 Ų100.262%0.61856%0.557SS**Hα-helixtrans-70.3-31.8171-91.7-75.2000113.2L65 V71 H72L65-F69 HydrophobicContact CD2-CD2 4.38Å; L65-F69 HydrophobicContact CD2-CE2 4.04Å; L65-F69 HydrophobicContact CG-CD2 4.11Å; L65-F69 HydrophobicContact CG-CE2 4.07Å; L65-F69 WeakPolarHBondContact O-CB 3.35Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.36Å; F69-V71 VanDerWaalsContact C-N 3.34Å; F69-H72 PolarHBondContact O-N 3.45Å
70N52.7Low53.1Low97 Ų9799.3 Ų99.352%0.51954%0.539SS..Hα-helixtrans-65.6-36.2174.7-168.8-83.6000112.2G66 I67G66-N70 WeakPolarHBondContact O-CB 3.29Å; G66-N70 PolarHBondContact O-N 3.39Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.48Å
71V53.3Low52.8Low103 Ų103101.1 Ų101.162%0.62455%0.549SS*.Hα-helixtrans-74.9-28.3173.3158.10000112.5I67 F68 F69 S73 A74I67-V71 PolarHBondContact O-N 3.15Å; I67-V71 VanDerWaalsContact O-N 3.15Å; F68-V71 PolarHBondContact O-N 3.27Å; F69-V71 VanDerWaalsContact C-N 3.34Å; V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 3.41Å; V71-A74 PolarHBondContact O-N 3.43Å
72H48.1Very low52.6Low107 Ų107102.7 Ų102.750%0.49555%0.552SS.*G310 helixtrans-79.76.1-179.7-154.9-86.6000114.5F68 F69 A74 V75F68-H72 WeakPolarHBondContact O-CB 3.32Å; F68-H72 PolarHBondContact O-N 3.39Å; F68-H72 VanDerWaalsContact O-N 3.12Å; F69-H72 PolarHBondContact O-N 3.45Å; H72-A74 PolarHBondContact O-N 3.2Å; H72-V75 VanDerWaalsContact CE1-CB 3.48Å; H72-V75 WeakPolarHBondContact CE1-CB 3.32Å; H72-V75 WeakPolarHBondContact CE1-CG1 3.33Å; H72-V75 WeakPolarHBondContact NE2-CG1 3.35Å; H72-V75 PolarHBondContact O-N 2.92Å
73S49.8Very low52.6Low67 Ų6799.2 Ų99.247%0.46954%0.539SS..G310 helixtrans-72-11162.9-76.20000113V71 V75 L76V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 3.41Å; S73-V75 VanDerWaalsContact C-N 3.33Å; S73-L76 WeakPolarHBondContact O-CB 3.46Å
74A47.5Very low52.4Low94 Ų94102.2 Ų102.278%0.77755%0.55SS**G310 helixtrans-83.1-9.3168.500000113.4V71 H72V71-A74 PolarHBondContact O-N 3.43Å; H72-A74 PolarHBondContact O-N 3.2Å
75V48.1Very low52.3Low67 Ų67103.4 Ų103.441%0.40655%0.552SS.*G310 helixtrans-108.519.5175.3-175.40000110H72 S73 I77H72-V75 VanDerWaalsContact CE1-CB 3.48Å; H72-V75 WeakPolarHBondContact CE1-CB 3.32Å; H72-V75 WeakPolarHBondContact CE1-CG1 3.33Å; H72-V75 WeakPolarHBondContact NE2-CG1 3.35Å; H72-V75 PolarHBondContact O-N 2.92Å; S73-V75 VanDerWaalsContact C-N 3.33Å; V75-I77 PolarHBondContact O-N 2.95Å
76L48.3Very low52Low48 Ų48100.8 Ų100.825%0.25154%0.539SS..THydrogen-bonded Turntrans-70.257.9167.3-162.983.6000110.1S73 Y98S73-L76 WeakPolarHBondContact O-CB 3.46Å; L76-Y98 HydrophobicContact CD2-CE1 4.25Å; L76-Y98 PolarHBondContact O-OH 3.48Å
77I53.9Low51.9Low100 Ų100106 Ų10651%0.51355%0.55SS..THydrogen-bonded Turntrans-117.9-12.7169.8-141.399.6000111.3V75 F82V75-I77 PolarHBondContact O-N 2.95Å; I77-F82 HydrophobicContact CG1-CE2 4.32Å
78E52.7Low51.6Low165 Ų165109.2 Ų109.277%0.77156%0.563SS**SBendtrans-98.5-22.8-173.8-63.8-88.5136.500113.7V80E78-V80 VanDerWaalsContact C-N 3.28Å
79D47.3Very low51.9Low139 Ų139109 Ų10974%0.74357%0.569SS**SBendtrans-86.12.7172.6-81.3-45.1000112.9P81D79-P81 WeakPolarHBondContact O-CD 3.19Å
80V50.3Low52.4Low41 Ų41104 Ų10425%0.24856%0.556CS.*  trans-91.1100.6171-178.70000107.1E78 F82E78-V80 VanDerWaalsContact C-N 3.28Å; V80-F82 HydrophobicContact CB-CD2 4.23Å; V80-F82 HydrophobicContact CB-CE2 3.93Å; V80-F82 HydrophobicContact CB-CZ 4.15Å; V80-F82 HydrophobicContact CG1-CD1 3.91Å; V80-F82 HydrophobicContact CG1-CD2 4.01Å; V80-F82 HydrophobicContact CG1-CE1 3.8Å; V80-F82 HydrophobicContact CG1-CE2 3.9Å; V80-F82 HydrophobicContact CG1-CG 4.02Å; V80-F82 HydrophobicContact CG1-CZ 3.8Å; V80-F82 WeakPolarHBondContact O-CD2 3.47Å; V80-F82 PolarHBondContact O-N 3.23Å
81P48.8Very low53Low110 Ų110103.4 Ų103.471%0.71456%0.558SS**  trans-64.791.2163.528.7-33.3000106.7D79 T83D79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-T83 PolarHBondContact O-N 3.31Å
82F51.3Low53.7Low133 Ų133106 Ų10658%0.58356%0.563SS**  trans-62.893.1171-75.7-74.5000107.1I77 V80I77-F82 HydrophobicContact CG1-CE2 4.32Å; V80-F82 HydrophobicContact CB-CD2 4.23Å; V80-F82 HydrophobicContact CB-CE2 3.93Å; V80-F82 HydrophobicContact CB-CZ 4.15Å; V80-F82 HydrophobicContact CG1-CD1 3.91Å; V80-F82 HydrophobicContact CG1-CD2 4.01Å; V80-F82 HydrophobicContact CG1-CE1 3.8Å; V80-F82 HydrophobicContact CG1-CE2 3.9Å; V80-F82 HydrophobicContact CG1-CG 4.02Å; V80-F82 HydrophobicContact CG1-CZ 3.8Å; V80-F82 WeakPolarHBondContact O-CD2 3.47Å; V80-F82 PolarHBondContact O-N 3.23Å
83T54.9Low54.8Low45 Ų45105 Ų10528%0.27656%0.561SS.*  trans-88.7122.4175.2-156.40000106.4P81 K85 D86P81-T83 PolarHBondContact O-N 3.31Å; T83-K85 HydrophobicContact CG2-CD 4.14Å; T83-K85 HydrophobicContact CG2-CG 3.43Å; T83-K85 VanDerWaalsContact CG2-CG 3.43Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 WeakPolarHBondContact OG1-CE 3.33Å; T83-K85 WeakPolarHBondContact OG1-CG 3.24Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.11Å; T83-D86 PolarHBondContact O-N 3.48Å; T83-D86 VanDerWaalsContact O-N 3.11Å
84E54.6Low55.7Low176 Ų176104.9 Ų104.982%0.82256%0.555SS**G310 helixtrans-56.9-9.6-178.552.8-150.3121.300114.3
85K53.6Low57Low146 Ų146108.6 Ų108.664%0.63555%0.55SS*.G310 helixtrans-84.6-7.3175.955.3178.3170154.90115.9T83 F87T83-K85 HydrophobicContact CG2-CD 4.14Å; T83-K85 HydrophobicContact CG2-CG 3.43Å; T83-K85 VanDerWaalsContact CG2-CG 3.43Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 WeakPolarHBondContact OG1-CE 3.33Å; T83-K85 WeakPolarHBondContact OG1-CG 3.24Å; K85-F87 VanDerWaalsContact C-N 3.35Å
86D53Low58.3Low48 Ų48109.7 Ų109.726%0.25755%0.553SS.*G310 helixtrans-85.9-4.4174.6-80.1-52.4000113.8T83 N93 I94T83-D86 WeakPolarHBondContact CG2-OD2 3.11Å; T83-D86 PolarHBondContact O-N 3.48Å; T83-D86 VanDerWaalsContact O-N 3.11Å; D86-N93 PolarHBondContact OD1-ND2 3.45Å; D86-I94 HydrophobicContact CB-CG1 4.43Å
87F54.8Low59.4Low150 Ų150111.6 Ų111.666%0.65856%0.564SS**G310 helixtrans-87.3-9.1179.4-67.6-83.9000114.1K85K85-F87 VanDerWaalsContact C-N 3.35Å
88E58.4Low60.3Low165 Ų165111.9 Ų111.977%0.77156%0.559SS**SBendtrans-84.5-23.2-177-81.6-170.8139.600114.6
89N56.6Low61.4Low148 Ų148109.7 Ų109.779%0.79155%0.549SS*.SBendtrans-117.922.7-170.4-70.7-71.3000115
90G62.7Low62.8Low34 Ų34109.7 Ų109.735%0.35154%0.544SS..  trans79.7158.9174.700000114.4Q92G90-Q92 PolarHBondContact O-N 3.39Å
91P65.6Low64Low86 Ų86111.2 Ų111.256%0.55855%0.553SS**THydrogen-bonded Turntrans-70.4-4.3-163.427.6-36000115.3N93 I94 Y95P91-N93 PolarHBondContact O-N 2.86Å; P91-I94 PolarHBondContact O-N 3.5Å; P91-Y95 HydrophobicContact CB-CE2 4.16Å; P91-Y95 WeakPolarHBondContact O-CD2 3.24Å; P91-Y95 PolarHBondContact O-N 3.33Å
92Q68.6Low65.3Low158 Ų158108.5 Ų108.574%0.73854%0.537SS*.Hα-helixtrans-65.2-33.3-176-85-170-41.100114.2G90 I94 N96G90-Q92 PolarHBondContact O-N 3.39Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; Q92-N96 PolarHBondContact O-N 2.99Å; Q92-N96 PolarHBondContact O-ND2 3.06Å
93N70.9Confident66.6Low85 Ų85109.4 Ų109.446%0.45554%0.538SS..Hα-helixtrans-68.6-36.6-179.2-159.744.1000111.4D86 P91 Y95 N96 L97D86-N93 PolarHBondContact OD1-ND2 3.45Å; P91-N93 PolarHBondContact O-N 2.86Å; N93-Y95 PolarHBondContact O-N 3.38Å; N93-N96 PolarHBondContact O-N 3.3Å; N93-L97 PolarHBondContact O-N 3.15Å; N93-L97 VanDerWaalsContact O-N 3.14Å
94I68.6Low67.9Low64 Ų64113 Ų11333%0.32856%0.555SS.*Hα-helixtrans-66.5-39-179-54.8168.4000110.7D86 P91 Q92 L97 Y98D86-I94 HydrophobicContact CB-CG1 4.43Å; P91-I94 PolarHBondContact O-N 3.5Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; I94-L97 PolarHBondContact O-N 3.03Å; I94-Y98 PolarHBondContact O-N 3.49Å; I94-Y98 VanDerWaalsContact O-N 3.16Å
95Y73.5Confident69.1Low173 Ų173107.7 Ų107.768%0.67854%0.536SS*.Hα-helixtrans-66-42.6176.2-75.7-69.2000112.7P91 N93 L97 Y98 E99P91-Y95 HydrophobicContact CB-CE2 4.16Å; P91-Y95 WeakPolarHBondContact O-CD2 3.24Å; P91-Y95 PolarHBondContact O-N 3.33Å; N93-Y95 PolarHBondContact O-N 3.38Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.3Å; Y95-Y98 PolarHBondContact O-N 3.18Å; Y95-E99 PolarHBondContact O-N 3.06Å
96N75.3Confident70.2Confident89 Ų89108.4 Ų108.448%0.47654%0.54SS..Hα-helixtrans-65.5-36178.5-81.8-81.2000112.5Q92 N93 E99 Q100Q92-N96 PolarHBondContact O-N 2.99Å; Q92-N96 PolarHBondContact O-ND2 3.06Å; N93-N96 PolarHBondContact O-N 3.3Å; N96-E99 PolarHBondContact O-N 3.13Å; N96-Q100 PolarHBondContact O-N 3.4Å
97L72.4Confident71.6Confident89 Ų89110.5 Ų110.547%0.46655%0.55SS..Hα-helixtrans-68.3-39.7178.6-138135.1000111.1N93 I94 Y95 E99 Q100 V101N93-L97 PolarHBondContact O-N 3.15Å; N93-L97 VanDerWaalsContact O-N 3.14Å; I94-L97 PolarHBondContact O-N 3.03Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.3Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 2.96Å; L97-Q100 PolarHBondContact O-N 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.46Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-V101 VanDerWaalsContact O-N 3.13Å
98Y73.1Confident72.7Confident105 Ų105105.4 Ų105.441%0.41254%0.536SS..Hα-helixtrans-61.4-41.3171.5-118.9-81.3000112.1L76 I94 Y95 S102L76-Y98 HydrophobicContact CD2-CE1 4.25Å; L76-Y98 PolarHBondContact O-OH 3.48Å; I94-Y98 PolarHBondContact O-N 3.49Å; I94-Y98 VanDerWaalsContact O-N 3.16Å; Y95-Y98 PolarHBondContact O-N 3.18Å; Y98-S102 WeakPolarHBondContact O-CB 3.32Å; Y98-S102 PolarHBondContact O-N 3.35Å; Y98-S102 PolarHBondContact O-OG 3.2Å
99E76.1Confident73.5Confident120 Ų12099.5 Ų99.556%0.56152%0.515SS*.Hα-helixtrans-64.1-44.6179.9-131.7175.1174.100111.3Y95 N96 L97 S102 Y103Y95-E99 PolarHBondContact O-N 3.06Å; N96-E99 PolarHBondContact O-N 3.13Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 2.96Å; E99-S102 PolarHBondContact O-OG 3.29Å; E99-Y103 WeakPolarHBondContact O-CB 3.21Å; E99-Y103 PolarHBondContact O-N 3.38Å
100Q76.5Confident74.6Confident139 Ų13993.9 Ų93.965%0.6549%0.493SS*.Hα-helixtrans-67.4-44.3179-72.4-168.911.900113.7N96 L97 N104N96-Q100 PolarHBondContact O-N 3.4Å; L97-Q100 PolarHBondContact O-N 3.29Å; Q100-N104 PolarHBondContact O-N 2.9Å; Q100-N104 PolarHBondContact O-ND2 3Å
101V75.8Confident75.5Confident73 Ų7396.9 Ų96.944%0.44250%0.5SS..Hα-helixtrans-67.4-43-179.11740000110.5L97 C105L97-V101 WeakPolarHBondContact O-CG2 3.46Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-V101 VanDerWaalsContact O-N 3.13Å; V101-C105 PolarHBondContact O-N 3.35Å
102S74.9Confident75.9Confident52 Ų52101.8 Ų101.836%0.36451%0.509SS..Hα-helixtrans-68.3-38.717965.10000112.7Y98 E99 N104 C105 F106Y98-S102 WeakPolarHBondContact O-CB 3.32Å; Y98-S102 PolarHBondContact O-N 3.35Å; Y98-S102 PolarHBondContact O-OG 3.2Å; E99-S102 PolarHBondContact O-OG 3.29Å; S102-N104 PolarHBondContact O-N 2.83Å; S102-C105 PolarHBondContact O-N 2.95Å; S102-F106 VanDerWaalsContact O-CB 3.24Å; S102-F106 WeakPolarHBondContact O-CB 3.42Å; S102-F106 PolarHBondContact O-N 2.93Å
103Y79.8Confident76.3Confident153 Ų153100 Ų10060%0.650%0.504SS*.Hα-helixtrans-61.6-46.2178.6-124.9-89.2000112.7E99 C105 F106 I107E99-Y103 WeakPolarHBondContact O-CB 3.21Å; E99-Y103 PolarHBondContact O-N 3.38Å; Y103-C105 VanDerWaalsContact C-N 3.32Å; Y103-C105 PolarHBondContact O-N 3.46Å; Y103-F106 PolarHBondContact O-N 2.91Å; Y103-I107 HydrophobicContact CD1-CD1 4.05Å; Y103-I107 HydrophobicContact CE1-CD1 4.3Å; Y103-I107 WeakPolarHBondContact O-CG1 3.47Å; Y103-I107 PolarHBondContact O-N 3.33Å; Y103-I107 VanDerWaalsContact O-N 3.15Å
104N81.1Confident76.8Confident121 Ų121102.2 Ų102.265%0.64751%0.514SS*.Hα-helixtrans-63.2-41.5-179.7-69-22.4000111.3Q100 S102 A108Q100-N104 PolarHBondContact O-N 2.9Å; Q100-N104 PolarHBondContact O-ND2 3Å; S102-N104 PolarHBondContact O-N 2.83Å; N104-A108 PolarHBondContact O-N 3.31Å
105C79.4Confident77.3Confident63 Ų63104.7 Ų104.743%0.42653%0.528SS..Hα-helixtrans-71.2-39.7178.6-171.70000112.4V101 S102 Y103 A108 A109V101-C105 PolarHBondContact O-N 3.35Å; S102-C105 PolarHBondContact O-N 2.95Å; Y103-C105 VanDerWaalsContact C-N 3.32Å; Y103-C105 PolarHBondContact O-N 3.46Å; C105-A108 PolarHBondContact O-N 2.85Å; C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 3.33Å
106F77.6Confident77.5Confident161 Ų16198.6 Ų98.671%0.70652%0.517SS*.Hα-helixtrans-66.2-40.8-177.8-173.9-102.8000112S102 Y103 A109 G110S102-F106 VanDerWaalsContact O-CB 3.24Å; S102-F106 WeakPolarHBondContact O-CB 3.42Å; S102-F106 PolarHBondContact O-N 2.93Å; Y103-F106 PolarHBondContact O-N 2.91Å; F106-A109 PolarHBondContact O-N 2.91Å; F106-G110 PolarHBondContact O-N 2.86Å
107I83Confident77.8Confident92 Ų9295.8 Ų95.847%0.47251%0.51SS..Hα-helixtrans-65.7-44.3176-67.7-174.2000110.9Y103 G110 L111Y103-I107 HydrophobicContact CD1-CD1 4.05Å; Y103-I107 HydrophobicContact CE1-CD1 4.3Å; Y103-I107 WeakPolarHBondContact O-CG1 3.47Å; Y103-I107 PolarHBondContact O-N 3.33Å; Y103-I107 VanDerWaalsContact O-N 3.15Å; I107-G110 PolarHBondContact O-N 3.46Å; I107-L111 HydrophobicContact CG2-CD1 4Å; I107-L111 PolarHBondContact O-N 3.31Å
108A76.9Confident78.2Confident44 Ų4497.9 Ų97.936%0.36452%0.515SS..Hα-helixtrans-59.8-50176.600000111N104 C105 G110 L111 Y112N104-A108 PolarHBondContact O-N 3.31Å; C105-A108 PolarHBondContact O-N 2.85Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.15Å; A108-L111 PolarHBondContact O-N 3.08Å; A108-Y112 VanDerWaalsContact O-CD2 3.24Å; A108-Y112 WeakPolarHBondContact O-CD2 3.29Å; A108-Y112 PolarHBondContact O-N 2.93Å; A108-Y112 VanDerWaalsContact O-N 3.13Å
109A75Confident78.2Confident40 Ų4096.2 Ų96.233%0.33152%0.519SS..Hα-helixtrans-58.8-44.117700000112C105 F106 Y112 L113C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 3.33Å; F106-A109 PolarHBondContact O-N 2.91Å; A109-Y112 PolarHBondContact O-N 3.33Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 2.9Å
110G78.9Confident78.1Confident31 Ų3196.8 Ų96.832%0.3252%0.52SS..Hα-helixtrans-60.7-44177.400000113.1F106 I107 A108 L113 L114F106-G110 PolarHBondContact O-N 2.86Å; I107-G110 PolarHBondContact O-N 3.46Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.15Å; G110-L113 PolarHBondContact O-N 3.41Å; G110-L114 WeakPolarHBondContact O-CB 3.31Å; G110-L114 PolarHBondContact O-N 3.39Å
111L83Confident78Confident97 Ų9793.5 Ų93.551%0.50851%0.512SS..Hα-helixtrans-62.1-43176.6-81.7164.7000112.2I107 A108 L114 L115I107-L111 HydrophobicContact CG2-CD1 4Å; I107-L111 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 2.98Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.18Å; L111-L115 PolarHBondContact O-N 3.46Å
112Y74.4Confident77.7Confident189 Ų18995.3 Ų95.374%0.74152%0.515SS*.Hα-helixtrans-65.6-38.5176.5-84.4-75.4000112.5A108 A109 G116A108-Y112 VanDerWaalsContact O-CD2 3.24Å; A108-Y112 WeakPolarHBondContact O-CD2 3.29Å; A108-Y112 PolarHBondContact O-N 2.93Å; A108-Y112 VanDerWaalsContact O-N 3.13Å; A109-Y112 PolarHBondContact O-N 3.33Å; Y112-G116 PolarHBondContact O-N 2.96Å
113L76.8Confident77.6Confident121 Ų12196.8 Ų96.863%0.63452%0.522SS*.Hα-helixtrans-68.2-41.1177.7-134.7161.2000111.5A109 G110 G117A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 2.9Å; G110-L113 PolarHBondContact O-N 3.41Å; L113-G117 WeakPolarHBondContact O-CA 3.29Å; L113-G117 PolarHBondContact O-N 3.29Å
114L81.3Confident77.2Confident130 Ų13095.6 Ų95.668%0.68152%0.516SS*.Hα-helixtrans-65.3-49.6175.8-99.5160.2000112.2G110 L111 G117 F118G110-L114 WeakPolarHBondContact O-CB 3.31Å; G110-L114 PolarHBondContact O-N 3.39Å; L111-L114 PolarHBondContact O-N 2.98Å; L114-G117 PolarHBondContact O-N 3.4Å; L114-F118 WeakPolarHBondContact O-CB 3.36Å; L114-F118 PolarHBondContact O-N 3Å
115L78.6Confident76.5Confident117 Ų11795.3 Ų95.361%0.61351%0.514SS*.Hα-helixtrans-66.5-42.4179.9-69.9171000111.7L111 S119L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.18Å; L111-L115 PolarHBondContact O-N 3.46Å; L115-S119 VanDerWaalsContact O-CB 3.29Å; L115-S119 WeakPolarHBondContact O-CB 3.39Å; L115-S119 PolarHBondContact O-N 3.36Å
116G78Confident75.8Confident44 Ų4498 Ų9845%0.45452%0.524SS..Hα-helixtrans-64.4-45.3175.400000112.4Y112 S119 F120Y112-G116 PolarHBondContact O-N 2.96Å; G116-S119 PolarHBondContact O-N 2.84Å; G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.49Å
117G80.3Confident75Confident31 Ų3195.2 Ų95.232%0.3251%0.512SS..Hα-helixtrans-64.7-43.3177.100000112.7L113 L114 F120 C121L113-G117 WeakPolarHBondContact O-CA 3.29Å; L113-G117 PolarHBondContact O-N 3.29Å; L114-G117 PolarHBondContact O-N 3.4Å; G117-F120 PolarHBondContact O-N 3.35Å; G117-C121 WeakPolarHBondContact O-CB 3.28Å; G117-C121 PolarHBondContact O-N 2.83Å; G117-C121 PolarHBondContact O-SG 3.49Å; G117-C121 VanDerWaalsContact O-SG 3.36Å
118F81.4Confident73.8Confident132 Ų13298.8 Ų98.858%0.57952%0.52SS*.Hα-helixtrans-63.9-45.6177-175.7-107.3000111.7L114 F120 C121 Q122L114-F118 WeakPolarHBondContact O-CB 3.36Å; L114-F118 PolarHBondContact O-N 3Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.41Å; F118-C121 PolarHBondContact O-N 3.36Å; F118-Q122 HydrophobicContact CD1-CG 4.5Å; F118-Q122 HydrophobicContact CE1-CG 4.19Å; F118-Q122 HydrophobicContact CZ-CG 4.19Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 2.98Å
119S73.8Confident72.7Confident71 Ų71103.7 Ų103.750%0.49753%0.532SS..Hα-helixtrans-58.9-41.9174.3-1760000111.9L115 G116 Q122 V123L115-S119 VanDerWaalsContact O-CB 3.29Å; L115-S119 WeakPolarHBondContact O-CB 3.39Å; L115-S119 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-N 2.84Å; S119-Q122 PolarHBondContact O-N 3.48Å; S119-V123 WeakPolarHBondContact O-CG2 3.2Å; S119-V123 PolarHBondContact O-N 3.13Å
120F74.3Confident71.8Confident131 Ų131107 Ų10758%0.57554%0.541SS*.Hα-helixtrans-65.8-44.3177.1-178.1-101.6000113.2G116 G117 F118 Q122 V123 R124G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.49Å; G117-F120 PolarHBondContact O-N 3.35Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.41Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 3.4Å; F120-V123 PolarHBondContact O-N 3.12Å; F120-R124 HydrophobicContact CD1-CG 4.2Å; F120-R124 HydrophobicContact CE1-CG 3.73Å; F120-R124 HydrophobicContact CE2-CG 4.16Å; F120-R124 HydrophobicContact CZ-CG 3.71Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 2.87Å
121C72.9Confident70.6Confident70 Ų70113.4 Ų113.447%0.47356%0.557SS.*Hα-helixtrans-60.2-43.4175.5-74.80000111.2G117 F118 R124 L125G117-C121 WeakPolarHBondContact O-CB 3.28Å; G117-C121 PolarHBondContact O-N 2.83Å; G117-C121 PolarHBondContact O-SG 3.49Å; G117-C121 VanDerWaalsContact O-SG 3.36Å; F118-C121 PolarHBondContact O-N 3.36Å; C121-R124 PolarHBondContact O-N 3.17Å; C121-L125 VanDerWaalsContact O-CB 3.32Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.43Å; C121-L125 PolarHBondContact O-N 3.25Å
122Q71.2Confident69.2Low112 Ų112116.5 Ų116.552%0.52357%0.571SS.*Hα-helixtrans-61.6-47.1175.8-71.1-143.976.500111.7F118 S119 F120 R124 L125 N126F118-Q122 HydrophobicContact CD1-CG 4.5Å; F118-Q122 HydrophobicContact CE1-CG 4.19Å; F118-Q122 HydrophobicContact CZ-CG 4.19Å; F118-Q122 WeakPolarHBondContact O-CG 3.42Å; F118-Q122 PolarHBondContact O-N 2.98Å; S119-Q122 PolarHBondContact O-N 3.48Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 3.4Å; Q122-R124 PolarHBondContact O-N 3.4Å; Q122-L125 PolarHBondContact O-N 3.49Å; Q122-N126 VanDerWaalsContact O-CB 3.25Å; Q122-N126 WeakPolarHBondContact O-CB 3.25Å; Q122-N126 PolarHBondContact O-N 3.44Å
123V72.3Confident68.2Low83 Ų83113.5 Ų113.550%0.50357%0.572SS.*Hα-helixtrans-62.7-42.7177.5171.40000111.6S119 F120 K127S119-V123 WeakPolarHBondContact O-CG2 3.2Å; S119-V123 PolarHBondContact O-N 3.13Å; F120-V123 PolarHBondContact O-N 3.12Å; V123-K127 HydrophobicContact CG1-CG 4.4Å; V123-K127 VanDerWaalsContact O-CB 3.28Å; V123-K127 WeakPolarHBondContact O-CB 3.07Å; V123-K127 WeakPolarHBondContact O-CG 2.91Å; V123-K127 PolarHBondContact O-N 3.19Å
124R71Confident67.1Low128 Ų128120.9 Ų120.948%0.48359%0.591SS.*Hα-helixtrans-64.7-43177.1-83.5-106.481.7146.64.9112.3F120 C121 Q122 R128F120-R124 HydrophobicContact CD1-CG 4.2Å; F120-R124 HydrophobicContact CE1-CG 3.73Å; F120-R124 HydrophobicContact CE2-CG 4.16Å; F120-R124 HydrophobicContact CZ-CG 3.71Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 2.87Å; C121-R124 PolarHBondContact O-N 3.17Å; Q122-R124 PolarHBondContact O-N 3.4Å; R124-R128 WeakPolarHBondContact O-CG 3.19Å; R124-R128 PolarHBondContact O-N 3.29Å; R124-R128 VanDerWaalsContact O-N 3.12Å
125L66.2Low66.4Low114 Ų114120.4 Ų120.460%0.59759%0.587SS**Hα-helixtrans-70.4-39.8179-69.6173.5000111.3C121 Q122 K127 R128 K129C121-L125 VanDerWaalsContact O-CB 3.32Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.43Å; C121-L125 PolarHBondContact O-N 3.25Å; Q122-L125 PolarHBondContact O-N 3.49Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 3.16Å; L125-R128 PolarHBondContact O-N 2.9Å; L125-R128 VanDerWaalsContact O-N 3.13Å; L125-K129 WeakPolarHBondContact O-CG 3.21Å; L125-K129 PolarHBondContact O-N 3.1Å
126N64.2Low65.7Low119 Ų119120.6 Ų120.664%0.63659%0.585SS**Hα-helixtrans-67.4-37.1177.2-139.318.5000111.4Q122 R128 K129 E130Q122-N126 VanDerWaalsContact O-CB 3.25Å; Q122-N126 WeakPolarHBondContact O-CB 3.25Å; Q122-N126 PolarHBondContact O-N 3.44Å; N126-R128 VanDerWaalsContact C-N 3.31Å; N126-R128 PolarHBondContact O-N 3.09Å; N126-K129 PolarHBondContact O-N 3.21Å; N126-E130 PolarHBondContact O-N 2.89Å
127K61.5Low65Low103 Ų103124.8 Ų124.845%0.44859%0.593SS.*Hα-helixtrans-64.3-30.4171.1-74.2-70.8176.4-167.60113.2V123 L125 E130 Y131V123-K127 HydrophobicContact CG1-CG 4.4Å; V123-K127 VanDerWaalsContact O-CB 3.28Å; V123-K127 WeakPolarHBondContact O-CB 3.07Å; V123-K127 WeakPolarHBondContact O-CG 2.91Å; V123-K127 PolarHBondContact O-N 3.19Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 3.16Å; K127-E130 IonicContact NZ-OE2 3.73Å; K127-Y131 WeakPolarHBondContact O-CD2 3.32Å; K127-Y131 WeakPolarHBondContact O-CE2 3.5Å
128R57.8Low64.1Low168 Ų168130.4 Ų130.463%0.63461%0.609SS**Hα-helixtrans-74.4-33.1176.9-66.7-88.9-165.9-151.33.2112.4R124 L125 N126 Y131R124-R128 WeakPolarHBondContact O-CG 3.19Å; R124-R128 PolarHBondContact O-N 3.29Å; R124-R128 VanDerWaalsContact O-N 3.12Å; L125-R128 PolarHBondContact O-N 2.9Å; L125-R128 VanDerWaalsContact O-N 3.13Å; N126-R128 VanDerWaalsContact C-N 3.31Å; N126-R128 PolarHBondContact O-N 3.09Å; R128-Y131 PolarHBondContact O-N 3.2Å
129K54.4Low63.1Low146 Ų146130.3 Ų130.364%0.63561%0.61SS**Hα-helixtrans-71.7-30.7179.9-66-171.9-174.5-174.70113.4L125 N126 Y131 M132L125-K129 WeakPolarHBondContact O-CG 3.21Å; L125-K129 PolarHBondContact O-N 3.1Å; N126-K129 PolarHBondContact O-N 3.21Å; K129-Y131 PolarHBondContact O-N 3.45Å; K129-M132 PolarHBondContact O-N 3.4Å; K129-M132 VanDerWaalsContact O-N 3.16Å
130E55.3Low62.3Low109 Ų109134.2 Ų134.251%0.50962%0.618SS.*THydrogen-bonded Turntrans-63.6-25.5177-147.3-173.1154.200113.1N126 K127N126-E130 PolarHBondContact O-N 2.89Å; K127-E130 IonicContact NZ-OE2 3.73Å
131Y53Low61.5Low166 Ų166134.4 Ų134.465%0.65162%0.621SS**THydrogen-bonded Turntrans-95.2-3.1176.9-56.5-76.7000114K127 R128 K129K127-Y131 WeakPolarHBondContact O-CD2 3.32Å; K127-Y131 WeakPolarHBondContact O-CE2 3.5Å; R128-Y131 PolarHBondContact O-N 3.2Å; K129-Y131 PolarHBondContact O-N 3.45Å
132M54.9Low60.6Low162 Ų162139.4 Ų139.480%0.79863%0.633SS**SBendtrans-96.5-1.7175.8-72.9-158.366.200113.4K129K129-M132 PolarHBondContact O-N 3.4Å; K129-M132 VanDerWaalsContact O-N 3.16Å
133V54Low59.7Low126 Ų126141.7 Ų141.776%0.76464%0.642SS**  trans-106.632.4179.7101.10000112.1
134R52.2Low58.6Low276 Ų276147 Ų147100%1.04265%0.654SS**  trans-126.10166.9-80.3-170.7168.885.70.1109.9

Retrieved 134 of 134 residues in 62.9 ms (Link to these results)