A0A077ZK57_TRITR Loading...

Nucleoporin NUP35

AlphaFold DB , UniProt , Accession A0A077ZK57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M46.7Very low57Low236 Ų236134 Ų134100%1.16379%0.791SS**  0142.50-63.817175.700107.8
2P63.9Low56.8Low121 Ų121133.8 Ų133.879%0.78679%0.792SS**PPolyproline II helixtrans-77.1154.7-179.432.2-34.9000112.3
3P69.8Low56.3Low126 Ų126135.8 Ų135.882%0.81880%0.796SS**PPolyproline II helixtrans-72.4155.7173.431.2-34.9000112.2
4S54.8Low56.1Low94 Ų94135.4 Ų135.466%0.65780%0.795SS**PPolyproline II helixtrans-78.4137.2-176.4-171.90000112.6W6S4-W6 VanDerWaalsContact C-N 3.29Å; S4-W6 PolarHBondContact O-N 3.2Å
5P64.3Low55.8Low115 Ų115133.2 Ų133.275%0.74779%0.79SS**SBendtrans-81.19.9-170.232.6-37.4000116A7P5-A7 PolarHBondContact O-N 3.21Å
6W57.1Low55.7Low200 Ų200131.6 Ų131.676%0.75878%0.784SS**  trans-95.521.6-170.4-74.180.5000115.3S4 H8S4-W6 VanDerWaalsContact C-N 3.29Å; S4-W6 PolarHBondContact O-N 3.2Å; W6-H8 VanDerWaalsContact C-N 3.33Å; W6-H8 AromaticContact CE3-NE2 3.65Å; W6-H8 PolarHBondContact O-CD2 3.15Å; W6-H8 PolarHBondContact O-N 3.15Å
7A54.9Low55.2Low90 Ų90135.4 Ų135.474%0.74479%0.788SS**  trans-78.676.4176.200000111.5P5 S9P5-A7 PolarHBondContact O-N 3.21Å; A7-S9 PolarHBondContact O-N 3.31Å
8H51Low54.9Low152 Ų152136.1 Ų136.170%0.70479%0.786SS**  trans-74.6104.9178.3-71.7-82.8000112W6 S10W6-H8 VanDerWaalsContact C-N 3.33Å; W6-H8 AromaticContact CE3-NE2 3.65Å; W6-H8 PolarHBondContact O-CD2 3.15Å; W6-H8 PolarHBondContact O-N 3.15Å; H8-S10 PolarHBondContact O-N 2.89Å
9S53.3Low54.3Low116 Ų116134.1 Ų134.181%0.81178%0.781SS**PPolyproline II helixtrans-67123.1170.5-57.60000111.6A7A7-S9 PolarHBondContact O-N 3.31Å
10S54Low54.1Low110 Ų110138.4 Ų138.477%0.76978%0.783SS**PPolyproline II helixtrans-62.1131.6172.8-57.10000111.5H8 T12H8-S10 PolarHBondContact O-N 2.89Å; S10-T12 PolarHBondContact O-N 3.27Å
11P57.1Low53.7Low114 Ų114138 Ų13874%0.7479%0.786SS**PPolyproline II helixtrans-76.6120178.629.6-33.4000111.5L13P11-L13 PolarHBondContact O-N 2.92Å
12T55.3Low53.8Low132 Ų132134.5 Ų134.581%0.8177%0.771SS**  trans-68.5101.2171.1-53.70000110.1S10 V14S10-T12 PolarHBondContact O-N 3.27Å; T12-V14 HydrophobicContact CG2-CG2 4.43Å; T12-V14 PolarHBondContact O-N 3.05Å
13L49.2Very low52.9Low160 Ų160137 Ų13784%0.83877%0.772SS**  trans-7192.3176.2-78.7172.1000111.4P11 S15P11-L13 PolarHBondContact O-N 2.92Å; L13-S15 PolarHBondContact O-N 2.93Å
14V54.5Low51.6Low129 Ų129142.8 Ų142.878%0.78278%0.777SS**  trans-75.5106.3169.1-177.90000108.9T12T12-V14 HydrophobicContact CG2-CG2 4.43Å; T12-V14 PolarHBondContact O-N 3.05Å
15S50.6Low51Low103 Ų103144 Ų14472%0.7278%0.781SS**  trans-62.1129179.4-51.40000111.6L13 K17L13-S15 PolarHBondContact O-N 2.93Å; S15-K17 PolarHBondContact O-N 3.3Å
16P54.2Low49.8Very low108 Ų108143.1 Ų143.170%0.70178%0.784SS**  trans-69123179.927.4-33.7000110.8I18P16-I18 VanDerWaalsContact C-N 3.32Å; P16-I18 HydrophobicContact CB-CG1 4.47Å; P16-I18 PolarHBondContact O-N 3.05Å
17K47.8Very low49.1Very low195 Ų195142.5 Ų142.585%0.84879%0.789SS**  trans-79.877.2-177.9-157.7171.2-173.31750110.5S15 S19S15-K17 PolarHBondContact O-N 3.3Å; K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 3.39Å
18I50.5Low48.5Very low148 Ų148144.1 Ų144.176%0.75979%0.79SS**  trans-71.687.5-179.2-57.1178.8000109.7P16P16-I18 VanDerWaalsContact C-N 3.32Å; P16-I18 HydrophobicContact CB-CG1 4.47Å; P16-I18 PolarHBondContact O-N 3.05Å
19S42.5Very low47.9Very low98 Ų98142.6 Ų142.669%0.68580%0.796SS**  trans-103.965.9-179.6-60.40000112K17K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 3.39Å
20R51.7Low47.1Very low220 Ų220148.8 Ų148.883%0.8380%0.802SS**SBendtrans-141.5137165.8-68.2-170178.7-176.4-0.4110.3
21P45.2Very low46.4Very low130 Ų130146.6 Ų146.684%0.84480%0.797SS**  trans-66.5139169.929.5-33.5000109.7E23P21-E23 PolarHBondContact O-N 3.48Å
22I48.7Very low45.5Very low163 Ų163146.7 Ų146.784%0.83680%0.797SS**  trans-82.2109.9174.7-61.9176.5000108.2R24I22-R24 PolarHBondContact O-N 3.11Å
23E43.7Very low44.8Very low173 Ų173146 Ų14681%0.80880%0.795SS**  trans-67.2123.3175.1-165.5164.7-144.900110P21 T25P21-E23 PolarHBondContact O-N 3.48Å; E23-T25 PolarHBondContact O-N 3.3Å
24R44.5Very low44.4Very low248 Ų248145.4 Ų145.494%0.93680%0.798SS**  trans-83.477.7-175.5-84.1-176.4163.4147.7-4.9111.4I22 A26I22-R24 PolarHBondContact O-N 3.11Å; R24-A26 PolarHBondContact O-N 3.23Å
25T41.6Very low43.6Very low120 Ų120150.1 Ų150.174%0.73680%0.801SS**  trans-61.2123.2169.8-470000110.3E23 Q27E23-T25 PolarHBondContact O-N 3.3Å; T25-Q27 PolarHBondContact O-N 2.8Å
26A39.3Very low43Very low97 Ų97149.1 Ų149.180%0.80280%0.795SS**  trans-70.7116.2-175.100000112R24R24-A26 PolarHBondContact O-N 3.23Å
27Q41.5Very low42.2Very low186 Ų186153 Ų15387%0.86981%0.805SS**  trans-97.5102.7172.3-71.3-159.5-54.500112T25T25-Q27 PolarHBondContact O-N 2.8Å
28V43.6Very low42Very low124 Ų124149.9 Ų149.975%0.75280%0.797SS**  trans24.3115.3143.7-1700000117.2R30V28-R30 PolarHBondContact O-N 2.65Å
29S36.7Very low41.2Very low120 Ų120151.9 Ų151.984%0.83980%0.804SS**  trans-57.3124171.754.30000113
30R38.2Very low40.8Very low246 Ų246150.6 Ų150.693%0.92881%0.806SS**  trans-116.7123.4168.7-85.1-178.4163.7166.3-4.7110.5V28V28-R30 PolarHBondContact O-N 2.65Å
31G38.8Very low40.2Very low65 Ų65145.8 Ų145.867%0.6780%0.801SS**SBendtrans105.8143.3174.400000113.6
32P37Very low39.6Very low116 Ų116144.8 Ų144.875%0.75380%0.797SS**  trans-67.1156.3166.631.5-34.7000110.1V34P32-V34 PolarHBondContact O-N 3.18Å; P32-V34 VanDerWaalsContact O-N 3.12Å
33P40.6Very low39Very low118 Ų118143 Ų14377%0.76680%0.799SS**  trans-63.8116.7179.326.1-34000110.7R35P33-R35 PolarHBondContact O-N 3.35Å
34V42.2Very low38.5Very low146 Ų146137.9 Ų137.989%0.88579%0.792SS**  trans-65.9102.5170.7-178.80000107.7P32 S36P32-V34 PolarHBondContact O-N 3.18Å; P32-V34 VanDerWaalsContact O-N 3.12Å; V34-S36 PolarHBondContact O-N 3.37Å
35R36.3Very low38.4Very low228 Ų228132.5 Ų132.586%0.8678%0.782SS**  trans-65123.9174.9-73.4-173.3171.7-163-3.5109P33 M37P33-R35 PolarHBondContact O-N 3.35Å; R35-M37 PolarHBondContact O-N 2.92Å
36S38.6Very low38Very low83 Ų83135.7 Ų135.758%0.5879%0.788SS**  trans-63.9120.4175.7-172.70000109.7V34 L38V34-S36 PolarHBondContact O-N 3.37Å; S36-L38 PolarHBondContact O-N 2.65Å; S36-L38 WeakPolarHBondContact OG-CB 3.43Å
37M38.4Very low37.7Very low188 Ų188134.3 Ų134.393%0.92678%0.783SS**THydrogen-bonded Turntrans-78.142.2177-62-168.7-64.400112.1R35R35-M37 PolarHBondContact O-N 2.92Å
38L42Very low37.4Very low130 Ų130132.1 Ų132.168%0.68178%0.777SS**THydrogen-bonded Turntrans-108.5-2.6-174.5-158.765.5000113.1S36S36-L38 PolarHBondContact O-N 2.65Å; S36-L38 WeakPolarHBondContact OG-CB 3.43Å
39E34.7Very low36.6Very low190 Ų190131.2 Ų131.289%0.88878%0.776SS**SBendtrans-99.25.6-176.7-61.4179.1146.800113.3
40G33.2Very low36.5Very low71 Ų71130.8 Ų130.873%0.73277%0.77SS**SBendtrans-112.8-2.1-172.300000117
41V39.8Very low36.1Very low120 Ų120124.2 Ų124.273%0.72776%0.757SS**  trans-129.753.4-170.1-69.40000112.8
42S33.3Very low35.7Very low108 Ų108132.6 Ų132.676%0.75577%0.769SS**  trans-126.231.7-177.4-57.20000114.2
43S34.4Very low35.4Very low125 Ų125136.1 Ų136.187%0.87477%0.768SS**SBendtrans-137.6115.3174.4-61.80000110.2
44G33.5Very low34.7Very low66 Ų66135.7 Ų135.768%0.6876%0.759SS**SBendtrans139.7-34.9164.500000117.5H46G44-H46 PolarHBondContact O-N 3.19Å
45L43Very low34.3Very low135 Ų135134.8 Ų134.871%0.70775%0.749SS**  trans-96.156-167.5-89.1155.9000114.9L48L45-L48 HydrophobicContact CD2-CD1 3.8Å; L45-L48 HydrophobicContact CD2-CG 4.15Å
46H33Very low34.1Very low187 Ų187129.8 Ų129.887%0.86674%0.744SS**  trans-91.892.2165.5-58.6-79000110.1G44G44-H46 PolarHBondContact O-N 3.19Å
47G32.1Very low33.8Very low69 Ų69130 Ų13071%0.71175%0.746SS**SBendtrans162.3-25.816900000118.2S49G47-S49 PolarHBondContact O-N 3.35Å
48L35.6Very low33.5Very low140 Ų140131.2 Ų131.273%0.73374%0.74SS**  trans-87.894.1-173.6-59.6-174.3000112.1L45L45-L48 HydrophobicContact CD2-CD1 3.8Å; L45-L48 HydrophobicContact CD2-CG 4.15Å
49S27.4Very low33Very low104 Ų104133 Ų13373%0.72775%0.75SS**  trans-78128.6172.5-167.40000110.9G47 V51G47-S49 PolarHBondContact O-N 3.35Å; S49-V51 PolarHBondContact O-N 3.31Å; S49-V51 VanDerWaalsContact O-N 3.15Å
50P34.8Very low33.1Very low111 Ų111129 Ų12972%0.72173%0.734SS**  trans-65.9112.9-177.5-23.234.3000113.2R52P50-R52 PolarHBondContact O-N 3.28Å; P50-R52 VanDerWaalsContact O-N 3.15Å
51V29Very low33.2Very low108 Ų108130.7 Ų130.766%0.65574%0.735SS**  trans-71.2106.5171.7-179.50000109S49 Y53S49-V51 PolarHBondContact O-N 3.31Å; S49-V51 VanDerWaalsContact O-N 3.15Å; V51-Y53 HydrophobicContact CB-CE2 4.16Å; V51-Y53 HydrophobicContact CG1-CD2 4.02Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; V51-Y53 PolarHBondContact O-N 3.36Å
52R30.1Very low33Very low242 Ų242132.2 Ų132.291%0.91373%0.732SS**  trans-74102.6175.2-65.6-179179.4-125.70.5109.9P50P50-R52 PolarHBondContact O-N 3.28Å; P50-R52 VanDerWaalsContact O-N 3.15Å
53Y30.9Very low33.1Very low189 Ų189129.2 Ų129.274%0.74172%0.718SS**  trans-80.2133.3166.1-75.6-79.3000110.5V51 L55V51-Y53 HydrophobicContact CB-CE2 4.16Å; V51-Y53 HydrophobicContact CG1-CD2 4.02Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; V51-Y53 PolarHBondContact O-N 3.36Å; Y53-L55 PolarHBondContact O-N 3.05Å
54D27.3Very low32.8Very low109 Ų109125.6 Ų125.658%0.58370%0.7SS**  trans-80.1111.2-176.9-168.6-20.5000111.3T56 S57D54-T56 PolarHBondContact O-N 3.44Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.47Å; D54-T56 VanDerWaalsContact OD1-CG2 3.26Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.26Å; D54-T56 PolarHBondContact OD1-N 3Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; D54-T56 PolarHBondContact OD2-OG1 2.83Å; D54-S57 PolarHBondContact O-OG 3.12Å
55L33.4Very low32.6Very low128 Ų128130.4 Ų130.467%0.6771%0.71SS**G310 helixtrans-75.5-4.1-179-74.7160.7000114Y53 S57 A131Y53-L55 PolarHBondContact O-N 3.05Å; L55-S57 PolarHBondContact O-N 3Å; L55-A131 HydrophobicContact CD1-CB 3.68Å
56T31.5Very low32.2Very low123 Ų123131.8 Ų131.876%0.75571%0.711SS**G310 helixtrans-71.1-11179.559.10000114.5D54D54-T56 PolarHBondContact O-N 3.44Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.47Å; D54-T56 VanDerWaalsContact OD1-CG2 3.26Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.26Å; D54-T56 PolarHBondContact OD1-N 3Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; D54-T56 PolarHBondContact OD2-OG1 2.83Å
57S32Very low31.9Very low88 Ų88127.7 Ų127.762%0.61570%0.704SS**G310 helixtrans-119.46.6-15961.50000116.6D54 L55D54-S57 PolarHBondContact O-OG 3.12Å; L55-S57 PolarHBondContact O-N 3Å
58R31.7Very low31.6Very low213 Ų213133 Ų13380%0.80471%0.714SS**SBendtrans-135.9132170.5-85.4-173-82.7-172.2-4.1112.4L60R58-L60 PolarHBondContact O-N 3.18Å
59N31.9Very low31Very low166 Ų166131.9 Ų131.989%0.88871%0.714SS**  trans-61.1125.3178.7-67.4-49.8000111.2S61N59-S61 PolarHBondContact O-N 3.45Å
60L36.7Very low30.8Very low108 Ų108134 Ų13457%0.56572%0.717SS**  trans-71.593165-69.2179.1000108.6R58 K62 Y139R58-L60 PolarHBondContact O-N 3.18Å; L60-K62 PolarHBondContact O-N 3Å; L60-Y139 HydrophobicContact CB-CE1 4.01Å; L60-Y139 HydrophobicContact CD2-CE1 4.3Å
61S35.5Very low30.4Very low106 Ų106134.8 Ų134.874%0.74172%0.72SS**  trans-75.2112.2177.2-170.30000109.8N59 G63N59-S61 PolarHBondContact O-N 3.45Å; S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.17Å
62K35.5Very low30.3Very low152 Ų152136.1 Ų136.166%0.66172%0.72SS**  trans-57.3118.2169.9-178.4177-178.7176.30109.2L60L60-K62 PolarHBondContact O-N 3Å
63G36.3Very low30.1Very low45 Ų45133 Ų13346%0.46472%0.716SS.*  trans-65.7135.917100000110.3S61S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.17Å
64G28.4Very low29.9Very low49 Ų49128.5 Ų128.551%0.50571%0.711SS.*  trans-116.5136.1175.700000111.4F66G64-F66 PolarHBondContact O-N 2.98Å
65D29Very low29.9Very low167 Ų167129.1 Ų129.189%0.89372%0.719SS**  trans40.755.6155-56.1-2.4000117.8S67D65-S67 PolarHBondContact O-N 3.3Å
66F35Very low29.8Very low163 Ų163128.7 Ų128.772%0.71572%0.722SS**  trans-82.398.4165.9-85.4-82.3000111.6G64 M72G64-F66 PolarHBondContact O-N 2.98Å; F66-M72 HydrophobicContact CD1-CE 3.6Å; F66-M72 HydrophobicContact CE1-CE 3.48Å; F66-M72 VanDerWaalsContact CE1-CE 3.48Å; F66-M72 HydrophobicContact CG-CE 4.19Å; F66-M72 HydrophobicContact CZ-CE 3.98Å
67S24.9Very low29.7Very low102 Ų102130.7 Ų130.771%0.71373%0.729SS**  trans-63.5134.7165.8-70.60000110.5D65 T69D65-S67 PolarHBondContact O-N 3.3Å; S67-T69 VanDerWaalsContact C-N 3.29Å; S67-T69 PolarHBondContact O-N 3.49Å
68L25.8Very low29.7Very low179 Ų179131 Ų13194%0.93773%0.73SS**SBendtrans-74.568.8-171.1-71168.6000113.8
69T22.9Very low29.4Very low118 Ų118124.9 Ų124.972%0.72473%0.734SS**  trans-143.5134170.4530000111.6S67S67-T69 VanDerWaalsContact C-N 3.29Å; S67-T69 PolarHBondContact O-N 3.49Å
70N24.9Very low29.3Very low147 Ų147121.4 Ų121.479%0.78672%0.719SS**SBendtrans66113.2173.7-78.6-0.4000118.9
71T24.9Very low28.9Very low129 Ų129124.6 Ų124.679%0.79174%0.736SS**  trans37.593.5133.558.70000117.6
72M27.8Very low28.6Very low135 Ų135130.2 Ų130.267%0.66574%0.741SS**  trans-109.6109.2166.1-151.2-177.9-57.100109.9F66 C74F66-M72 HydrophobicContact CD1-CE 3.6Å; F66-M72 HydrophobicContact CE1-CE 3.48Å; F66-M72 VanDerWaalsContact CE1-CE 3.48Å; F66-M72 HydrophobicContact CG-CE 4.19Å; F66-M72 HydrophobicContact CZ-CE 3.98Å; M72-C74 PolarHBondContact O-N 3.18Å
73E26.7Very low28.2Very low176 Ų176132.4 Ų132.482%0.82275%0.745SS**  trans-76.8102.1-174.4-63.4-178.7152.500111.1T75E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.91Å
74C26.8Very low27.9Very low95 Ų95138.4 Ų138.464%0.64277%0.766SS**  trans-74.378.5-179.8-66.70000111.6M72 T76M72-C74 PolarHBondContact O-N 3.18Å; C74-T76 PolarHBondContact O-N 3.2Å
75T26.2Very low27.9Very low122 Ų122141 Ų14175%0.74877%0.768SS**  trans-6895176.220.30000111.1E73 N77E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.91Å; T75-N77 PolarHBondContact O-N 3.09Å
76T31.3Very low27.8Very low120 Ų120140.3 Ų140.374%0.73676%0.763SS**  trans-71.4109.1172.645.20000109.9C74 S78C74-T76 PolarHBondContact O-N 3.2Å; T76-S78 PolarHBondContact O-N 3.43Å
77N29.1Very low27.5Very low165 Ų165140.6 Ų140.688%0.88277%0.77SS**  trans-72.361.1175.9-74.8-33.6000112.2T75T75-N77 PolarHBondContact O-N 3.09Å
78S32.4Very low27.4Very low93 Ų93138.8 Ų138.865%0.6577%0.768SS**  trans-80126.6161.3-172.80000108.6T76 V80T76-S78 PolarHBondContact O-N 3.43Å; S78-V80 VanDerWaalsContact C-N 3.31Å; S78-V80 PolarHBondContact O-N 3.22Å
79G26.7Very low27.5Very low85 Ų85137 Ų13788%0.87676%0.759SS**SBendtrans-7472.5-171.100000114.1
80V28.8Very low27.7Very low94 Ų94137.5 Ų137.557%0.5776%0.757SS**  trans-129.2103.6172.9-160.20000109.8S78 R82S78-V80 VanDerWaalsContact C-N 3.31Å; S78-V80 PolarHBondContact O-N 3.22Å; V80-R82 HydrophobicContact CG1-CG 4.08Å; V80-R82 PolarHBondContact O-N 3.41Å
81N27.3Very low28Very low174 Ų174138 Ų13893%0.9376%0.76SS**  trans-72.169.7178.5-73.6-46.9000112.1R83N81-R83 PolarHBondContact O-N 3.24Å
82R29.5Very low28.3Very low224 Ų224139.2 Ų139.285%0.84576%0.76SS**  trans-90.186.7166.6-67.8-166.1-174.1-174.13.8109.5V80 L84V80-R82 HydrophobicContact CG1-CG 4.08Å; V80-R82 PolarHBondContact O-N 3.41Å; R82-L84 PolarHBondContact O-N 2.83Å
83R28.8Very low28.3Very low198 Ų198142.6 Ų142.675%0.74777%0.774SS**  trans-47.3123.8166.5-170.8174-172.5-109.91.6108.7N81 D85N81-R83 PolarHBondContact O-N 3.24Å; R83-D85 WeakPolarHBondContact CD-OD2 3.32Å; R83-D85 WeakPolarHBondContact CG-OD2 3.3Å; R83-D85 IonicContact CZ-OD1 2.78Å; R83-D85 IonicContact CZ-OD2 2.68Å; R83-D85 IonicContact NE-OD2 3.45Å; R83-D85 IonicContact NH1-OD1 3.49Å; R83-D85 PolarHBondContact NH1-OD1 2.99Å; R83-D85 IonicContact NH1-OD2 3.69Å; R83-D85 PolarHBondContact NH1-OD2 3Å; R83-D85 PolarHBondContact O-N 3.43Å
84L28Very low28.4Very low172 Ų172138.1 Ų138.190%0.90176%0.763SS**  trans-77.366.6179.5-169.673.9000109.8R82R82-L84 PolarHBondContact O-N 2.83Å
85D30.4Very low28.5Very low104 Ų104142.8 Ų142.856%0.55678%0.775SS**  trans-74130.1170.5-78-58.3000109.7R83R83-D85 WeakPolarHBondContact CD-OD2 3.32Å; R83-D85 WeakPolarHBondContact CG-OD2 3.3Å; R83-D85 IonicContact CZ-OD1 2.78Å; R83-D85 IonicContact CZ-OD2 2.68Å; R83-D85 IonicContact NE-OD2 3.45Å; R83-D85 IonicContact NH1-OD1 3.49Å; R83-D85 PolarHBondContact NH1-OD1 2.99Å; R83-D85 IonicContact NH1-OD2 3.69Å; R83-D85 PolarHBondContact NH1-OD2 3Å; R83-D85 PolarHBondContact O-N 3.43Å
86I26.3Very low28.7Very low151 Ų151145.4 Ų145.477%0.77478%0.783SS**  trans-73.3159.2176.2-49.4169.1000108.2
87I27.4Very low28.6Very low169 Ų169146.4 Ų146.487%0.86778%0.784SS**  trans97.9124.3167.5-51.8154.3000115
88G24.5Very low28.7Very low65 Ų65148.4 Ų148.467%0.6779%0.785SS**  trans110.699.9134.100000118.2
89N27Very low28.4Very low140 Ų140148.9 Ų148.975%0.74979%0.789SS**  trans22.8131.5135.8-8664.2000122.3
90D27.9Very low28.8Very low129 Ų129153.2 Ų153.269%0.6979%0.786SS**  trans77.1152.3140.3-52.6-31.8000120.9
91D30.5Very low28.9Very low158 Ų158156.5 Ų156.585%0.84580%0.8SS**  trans56.461.3162.9-63.9-15.9000120.7
92I31.8Very low29.2Very low155 Ų155154.5 Ų154.580%0.79579%0.789SS**  trans-13386.1139.7-51-179.1000110.8S94I92-S94 WeakPolarHBondContact CG2-OG 3.46Å
93Q26.6Very low29.6Very low205 Ų205148.2 Ų148.296%0.95877%0.772SS**  trans-87.3103.3154.3-81.2-164-4.400109.2
94S29.8Very low29.9Very low83 Ų83143.6 Ų143.658%0.5877%0.768SS**  trans-157113.4164.760.90000112.5I92I92-S94 WeakPolarHBondContact CG2-OG 3.46Å
95E28.8Very low30.2Very low193 Ų193143.4 Ų143.490%0.90276%0.762SS**  trans6263.9136.6-153.4165-157.800117.5
96L30.7Very low30.6Very low176 Ų176147.8 Ų147.892%0.92177%0.771SS**  trans-132.167.3162.8-92.6171.3000110.7F98L96-F98 PolarHBondContact O-N 3.1Å
97D27.9Very low31.2Very low141 Ų141144 Ų14475%0.75475%0.752SS**  trans-98.778179.9-168.514.6000111.4
98F31.3Very low31.9Very low207 Ų207140.1 Ų140.191%0.90873%0.733SS**  trans-148.758.3172.3-89.8-72.7000110.7L96 E100L96-F98 PolarHBondContact O-N 3.1Å; F98-E100 PolarHBondContact O-N 3.21Å
99S26.6Very low32.8Very low104 Ų104142.4 Ų142.473%0.72773%0.73SS**  trans-86.585.7173.663.50000111.9
100E34.2Very low33.7Very low176 Ų176140 Ų14082%0.82272%0.724SS**  trans-95.7130.2142.8-75.9-165.5112.700107.7F98 L102F98-E100 PolarHBondContact O-N 3.21Å; E100-L102 PolarHBondContact O-N 3.49Å
101D31.2Very low34.9Very low162 Ų162135.3 Ų135.387%0.86670%0.703SS**  trans-72.472.5-173.5-72.5-56.5000112.5N103D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.45Å
102L34.8Very low36.2Very low133 Ų133129.1 Ų129.170%0.69667%0.672SS**  trans-65.287.9168-66.5-178.4000109.4E100 P104E100-L102 PolarHBondContact O-N 3.49Å; L102-P104 WeakPolarHBondContact O-CD 3.49Å; L102-P104 VanDerWaalsContact O-N 3.14Å
103N37Very low37.4Very low92 Ų92122.8 Ų122.849%0.49264%0.641SS.*  trans-71.7102.2179.7-172.1-28.4000108.8D101 Q105 R106D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.45Å; N103-Q105 PolarHBondContact O-N 2.97Å; N103-R106 PolarHBondContact O-N 3.18Å
104P35.6Very low39Very low100 Ų100113.6 Ų113.665%0.64960%0.598SS**Hα-helixtrans-68.7-11-160.529.9-36.9000113L102 L108L102-P104 WeakPolarHBondContact O-CD 3.49Å; L102-P104 VanDerWaalsContact O-N 3.14Å; P104-L108 WeakPolarHBondContact O-CD1 3.31Å; P104-L108 WeakPolarHBondContact O-CG 3.36Å
105Q34.9Very low40.4Very low168 Ų168110.6 Ų110.679%0.78558%0.576SS**Hα-helixtrans-90.3-0178.5-143.9162.924.600113.4N103N103-Q105 PolarHBondContact O-N 2.97Å
106R38Very low41.6Very low196 Ų196104 Ų10474%0.7455%0.545SS*.Hα-helixtrans-108.9-34.2170.4-74-168.2174-163.4-0.2113.7N103 L108 D109N103-R106 PolarHBondContact O-N 3.18Å; R106-L108 PolarHBondContact O-N 2.83Å; R106-D109 PolarHBondContact O-N 3.26Å
107D39.3Very low42.8Very low71 Ų7198.4 Ų98.438%0.3853%0.53SS..Hα-helixtrans-69.9-22.2-175.9-63.9-37.6000113.1D109 S110D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 3.35Å; D107-S110 WeakPolarHBondContact O-CB 3.45Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-S110 PolarHBondContact O-OG 3.11Å
108L40.8Very low44.3Very low89 Ų8993.7 Ų93.747%0.46650%0.503SS..Hα-helixtrans-59.6-33177.1-71.4167.4000114P104 R106P104-L108 WeakPolarHBondContact O-CD1 3.31Å; P104-L108 WeakPolarHBondContact O-CG 3.36Å; R106-L108 PolarHBondContact O-N 2.83Å
109D43.2Very low45.6Very low113 Ų11387.9 Ų87.960%0.60448%0.481SS*.Hα-helixtrans-78.1-25.8175.1-76.4-25.6000112R106 D107 A111 C112R106-D109 PolarHBondContact O-N 3.26Å; D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 3.35Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.29Å; D109-C112 PolarHBondContact O-N 3.5Å; D109-C112 PolarHBondContact O-SG 2.9Å
110S46.2Very low47.2Very low89 Ų8987.8 Ų87.862%0.62248%0.481SS*.Hα-helixtrans-69.2-30.7-177.2790000113.1D107 C112D107-S110 WeakPolarHBondContact O-CB 3.45Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-S110 PolarHBondContact O-OG 3.11Å; S110-C112 PolarHBondContact O-N 3.3Å
111A53.9Low48.8Very low30 Ų3087.8 Ų87.825%0.24848%0.481CS..THydrogen-bonded Turntrans-85.38.9178.700000113.1D109 L151D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.29Å; A111-L151 HydrophobicContact CB-CB 4.25Å; A111-L151 WeakPolarHBondContact CB-O 3.16Å; A111-L151 WeakPolarHBondContact O-CG 3.06Å
112C58.5Low50.4Low29 Ų2981.8 Ų81.820%0.19645%0.45CS..  trans-108.9143.7-169.196.50000116D109 S110 L149D109-C112 PolarHBondContact O-N 3.5Å; D109-C112 PolarHBondContact O-SG 2.9Å; S110-C112 PolarHBondContact O-N 3.3Å; C112-L149 WeakPolarHBondContact CA-O 3.4Å; C112-L149 WeakPolarHBondContact CB-O 3.12Å
113V56.6Low51.9Low22 Ų2276.4 Ų76.413%0.13342%0.424CS..BIsolated β-bridgetrans-140.4-179.1-171-68.30000111.8L149 I160 A161V113-L149 HydrophobicContact CB-CD1 4.47Å; V113-L149 HydrophobicContact CG2-CB 3.77Å; V113-L149 HydrophobicContact CG2-CD1 3.79Å; V113-L149 HydrophobicContact CG2-CG 4.35Å; V113-L149 PolarHBondContact N-O 2.88Å; V113-L149 VanDerWaalsContact O-CB 3.26Å; V113-L149 WeakPolarHBondContact O-CB 3.37Å; V113-L149 WeakPolarHBondContact O-CG 3.33Å; V113-L149 PolarHBondContact O-N 3.27Å; V113-L149 VanDerWaalsContact O-N 3.16Å; V113-I160 VanDerWaalsContact CB-O 3.23Å; V113-I160 WeakPolarHBondContact CB-O 3.1Å; V113-I160 WeakPolarHBondContact CG1-O 3.21Å; V113-A161 HydrophobicContact CG1-CB 4.27Å
114T60.7Low53.5Low12 Ų1275.7 Ų75.77%0.07442%0.421CS..  trans-157.3-177.2177.9-37.90000109.4Y147 V162 R163T114-Y147 VanDerWaalsContact CG2-O 3.24Å; T114-Y147 WeakPolarHBondContact CG2-O 2.95Å; T114-Y147 PolarHBondContact OG1-O 3.29Å; T114-V162 CarbonylContact C-O 3.05Å; T114-V162 VanDerWaalsContact CA-O 3.31Å; T114-V162 WeakPolarHBondContact CA-O 3.21Å; T114-V162 WeakPolarHBondContact CB-O 3.44Å; T114-V162 WeakPolarHBondContact O-CB 3.34Å; T114-V162 WeakPolarHBondContact O-CG2 3.44Å; T114-R163 VanDerWaalsContact CB-CG 3.47Å; T114-R163 HydrophobicContact CG2-CG 3.76Å; T114-R163 PolarHBondContact OG1-NE 2.87Å; T114-R163 PolarHBondContact OG1-NH2 3.31Å
115V58.6Low55.4Low19 Ų1975.2 Ų75.212%0.11541%0.411CS..  trans-93.7123174-120.40000119.5F118 I126 F130 V162 R163 Q164V115-F118 HydrophobicContact CB-CD1 4.09Å; V115-F118 HydrophobicContact CB-CE1 3.84Å; V115-F118 HydrophobicContact CG1-CD1 4.5Å; V115-I126 HydrophobicContact CG1-CG2 3.88Å; V115-I126 HydrophobicContact CG2-CG2 4.49Å; V115-F130 HydrophobicContact CG1-CE2 4.43Å; V115-F130 HydrophobicContact CG1-CZ 4.18Å; V115-V162 VanDerWaalsContact C-C 3.45Å; V115-V162 CarbonylContact C-O 2.76Å; V115-V162 HydrophobicContact CB-CB 4.44Å; V115-V162 HydrophobicContact CG1-CB 3.85Å; V115-V162 HydrophobicContact CG1-CG1 3.87Å; V115-V162 HydrophobicContact CG1-CG2 4.1Å; V115-V162 PolarHBondContact N-O 3.25Å; V115-V162 VanDerWaalsContact N-O 3.07Å; V115-R163 CarbonylContact O-C 3.51Å; V115-R163 WeakPolarHBondContact O-CA 3.24Å; V115-Q164 WeakPolarHBondContact O-CA 3.45Å; V115-Q164 WeakPolarHBondContact O-CB 3.44Å; V115-Q164 PolarHBondContact O-N 3.37Å
116F54Low57.1Low54 Ų5467.8 Ų67.824%0.23738%0.376CS..  trans-84.2146163.1-82.2-59.1000111F118 V162 R163 L165 F178 W184F116-F118 VanDerWaalsContact C-N 3.31Å; F116-F118 WeakPolarHBondContact O-CD1 3.43Å; F116-F118 PolarHBondContact O-N 2.69Å; F116-V162 HydrophobicContact CB-CB 4.25Å; F116-V162 HydrophobicContact CB-CG1 3.64Å; F116-V162 HydrophobicContact CD2-CB 3.88Å; F116-V162 HydrophobicContact CD2-CG1 3.17Å; F116-V162 HydrophobicContact CE2-CB 4.49Å; F116-V162 HydrophobicContact CE2-CG1 4.03Å; F116-V162 HydrophobicContact CG-CB 4.12Å; F116-V162 HydrophobicContact CG-CG1 3.64Å; F116-V162 VanDerWaalsContact N-CB 3.3Å; F116-R163 WeakPolarHBondContact CD1-O 3.47Å; F116-L165 HydrophobicContact CD1-CD1 4.25Å; F116-L165 HydrophobicContact CE1-CD1 4.13Å; F116-F178 HydrophobicContact CZ-CD2 4.33Å; F116-F178 HydrophobicContact CZ-CE2 4.36Å; F116-W184 HydrophobicContact CD2-CZ2 4.46Å
117G55.9Low58.8Low59 Ų5959.6 Ų59.661%0.60835%0.347SS*.SBendtrans54.630.7140.300000118.9
118F59.6Low60.4Low43 Ų4363.7 Ų63.719%0.18936%0.357CS..  trans-117.9160.5-176.772.9-69.3000111.5V115 F116 A123 I126 Q164V115-F118 HydrophobicContact CB-CD1 4.09Å; V115-F118 HydrophobicContact CB-CE1 3.84Å; V115-F118 HydrophobicContact CG1-CD1 4.5Å; F116-F118 VanDerWaalsContact C-N 3.31Å; F116-F118 WeakPolarHBondContact O-CD1 3.43Å; F116-F118 PolarHBondContact O-N 2.69Å; F118-A123 HydrophobicContact CD2-CB 4.21Å; F118-A123 HydrophobicContact CE2-CB 3.7Å; F118-I126 HydrophobicContact CB-CD1 3.28Å; F118-I126 HydrophobicContact CD2-CD1 3.9Å; F118-I126 HydrophobicContact CG-CD1 3.74Å; F118-Q164 HydrophobicContact CD1-CG 4.04Å; F118-Q164 HydrophobicContact CE1-CB 4.48Å; F118-Q164 HydrophobicContact CE1-CG 3.87Å; F118-Q164 PolarHBondContact O-NE2 3.19Å
119D57.4Low62Low85 Ų8563.4 Ų63.446%0.45535%0.352SS..  trans-92168.9172.360.547.4000111.8E121 T122D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.27Å; D119-T122 VanDerWaalsContact CG-OG1 3.31Å; D119-T122 PolarHBondContact N-OG1 3.29Å; D119-T122 PolarHBondContact O-OG1 3.45Å; D119-T122 WeakPolarHBondContact OD1-CB 3.39Å; D119-T122 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T122 PolarHBondContact OD1-N 2.93Å; D119-T122 PolarHBondContact OD1-OG1 2.76Å
120S61.4Low63.4Low102 Ų10258.8 Ų58.871%0.71333%0.327SS*.THydrogen-bonded Turntrans-68.3-16.5-179.6490000114.4
121E67.9Low64.6Low176 Ų17656 Ų5682%0.82231%0.309SS*.THydrogen-bonded Turntrans-87.5-32-176.5-59.2-175.7-171.600111.4D119D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.27Å
122T65.1Low65.7Low36 Ų3660.6 Ų60.622%0.22133%0.325CS..THydrogen-bonded Turntrans-83.6-7.7175.951.80000113.9D119 D124 M125 I126D119-T122 VanDerWaalsContact CG-OG1 3.31Å; D119-T122 PolarHBondContact N-OG1 3.29Å; D119-T122 PolarHBondContact O-OG1 3.45Å; D119-T122 WeakPolarHBondContact OD1-CB 3.39Å; D119-T122 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T122 PolarHBondContact OD1-N 2.93Å; D119-T122 PolarHBondContact OD1-OG1 2.76Å; T122-D124 PolarHBondContact O-N 2.76Å; T122-M125 HydrophobicContact CG2-CE 3.82Å; T122-M125 WeakPolarHBondContact O-CB 3.19Å; T122-M125 PolarHBondContact O-N 3.05Å; T122-I126 WeakPolarHBondContact O-CG1 3.48Å; T122-I126 PolarHBondContact O-N 3.05Å
123A65.9Low66.2Low20 Ų2062.8 Ų62.817%0.16533%0.331CS..Hα-helixtrans-47.2-53.8-18000000113.5F118 M125 I126 L127F118-A123 HydrophobicContact CD2-CB 4.21Å; F118-A123 HydrophobicContact CE2-CB 3.7Å; A123-M125 PolarHBondContact O-N 3.48Å; A123-I126 PolarHBondContact O-N 3.21Å; A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.35Å
124D69.5Low66.5Low77 Ų7762.6 Ų62.641%0.41233%0.334SS..Hα-helixtrans-65.3-37179.3-97.227.1000112.9T122 I126 R128T122-D124 PolarHBondContact O-N 2.76Å; D124-I126 VanDerWaalsContact C-N 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.23Å; D124-R128 WeakPolarHBondContact O-CD 3.46Å; D124-R128 WeakPolarHBondContact O-CG 2.93Å; D124-R128 PolarHBondContact O-N 3.26Å; D124-R128 IonicContact OD2-NH2 2.8Å; D124-R128 PolarHBondContact OD2-NH2 2.79Å
125M75.2Confident66.8Low89 Ų8967.7 Ų67.744%0.43837%0.365SS..Hα-helixtrans-63.8-41.1176.5179.9-179.269.900110.4T122 A123 R128 K129T122-M125 HydrophobicContact CG2-CE 3.82Å; T122-M125 WeakPolarHBondContact O-CB 3.19Å; T122-M125 PolarHBondContact O-N 3.05Å; A123-M125 PolarHBondContact O-N 3.48Å; M125-R128 PolarHBondContact O-N 3.3Å; M125-K129 WeakPolarHBondContact O-CG 3.41Å; M125-K129 PolarHBondContact O-N 2.98Å
126I70.5Confident67.4Low12 Ų1269.3 Ų69.36%0.06237%0.373CS..Hα-helixtrans-74.2-42.5-179.3-61.2163.1000110.5V115 F118 T122 A123 D124 R128 K129 F130V115-I126 HydrophobicContact CG1-CG2 3.88Å; V115-I126 HydrophobicContact CG2-CG2 4.49Å; F118-I126 HydrophobicContact CB-CD1 3.28Å; F118-I126 HydrophobicContact CD2-CD1 3.9Å; F118-I126 HydrophobicContact CG-CD1 3.74Å; T122-I126 WeakPolarHBondContact O-CG1 3.48Å; T122-I126 PolarHBondContact O-N 3.05Å; A123-I126 PolarHBondContact O-N 3.21Å; D124-I126 VanDerWaalsContact C-N 3.31Å; I126-R128 VanDerWaalsContact C-N 3.27Å; I126-R128 PolarHBondContact O-N 2.8Å; I126-K129 CarbonylContact O-C 3.35Å; I126-K129 WeakPolarHBondContact O-CA 3.22Å; I126-K129 WeakPolarHBondContact O-CB 3.42Å; I126-K129 PolarHBondContact O-N 3.5Å; I126-F130 HydrophobicContact CG2-CD2 3.7Å; I126-F130 HydrophobicContact CG2-CE2 3.61Å; I126-F130 VanDerWaalsContact O-CD2 3.22Å; I126-F130 WeakPolarHBondContact O-CD2 3.33Å; I126-F130 PolarHBondContact O-N 2.79Å
127L73.8Confident68Low25 Ų2569.7 Ų69.713%0.13138%0.382CS..Hα-helixtrans-56.2-40.9172.5-73.7168.4000112A123 F130 A131 I136 Y139A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.35Å; L127-F130 PolarHBondContact O-N 2.66Å; L127-A131 PolarHBondContact O-N 3.4Å; L127-I136 HydrophobicContact CD2-CD1 4.28Å; L127-I136 WeakPolarHBondContact O-CD1 3.18Å; L127-Y139 HydrophobicContact CD1-CD2 3.59Å; L127-Y139 HydrophobicContact CD1-CE2 3.48Å; L127-Y139 VanDerWaalsContact CD1-CE2 3.48Å; L127-Y139 HydrophobicContact CD1-CG 4.2Å; L127-Y139 HydrophobicContact CD2-CD2 4.04Å; L127-Y139 HydrophobicContact CD2-CG 4.03Å; L127-Y139 HydrophobicContact CG-CD2 4.49Å
128R74.2Confident68.5Low157 Ų15769.9 Ų69.959%0.59237%0.373SS*.Hα-helixtrans-64.6-40.6173-68.6167.3-156.9-171.49.1112.3D124 M125 I126 F130 A131 E132D124-R128 WeakPolarHBondContact O-CB 3.23Å; D124-R128 WeakPolarHBondContact O-CD 3.46Å; D124-R128 WeakPolarHBondContact O-CG 2.93Å; D124-R128 PolarHBondContact O-N 3.26Å; D124-R128 IonicContact OD2-NH2 2.8Å; D124-R128 PolarHBondContact OD2-NH2 2.79Å; M125-R128 PolarHBondContact O-N 3.3Å; I126-R128 VanDerWaalsContact C-N 3.27Å; I126-R128 PolarHBondContact O-N 2.8Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.29Å; R128-A131 PolarHBondContact O-N 3.36Å; R128-E132 PolarHBondContact O-N 3.03Å; R128-E132 VanDerWaalsContact O-N 3.1Å
129K74Confident68.9Low82 Ų8270.1 Ų70.136%0.35737%0.373SS..Hα-helixtrans-64.3-30.4173.5-77.4-73.5167-146.10113M125 I126 E132 F133M125-K129 WeakPolarHBondContact O-CG 3.41Å; M125-K129 PolarHBondContact O-N 2.98Å; I126-K129 CarbonylContact O-C 3.35Å; I126-K129 WeakPolarHBondContact O-CA 3.22Å; I126-K129 WeakPolarHBondContact O-CB 3.42Å; I126-K129 PolarHBondContact O-N 3.5Å; K129-E132 IonicContact NZ-OE1 3.5Å; K129-E132 PolarHBondContact NZ-OE1 3.44Å; K129-E132 IonicContact NZ-OE2 3.26Å; K129-E132 PolarHBondContact NZ-OE2 3.02Å; K129-E132 WeakPolarHBondContact O-CB 3.38Å; K129-E132 PolarHBondContact O-N 2.86Å; K129-F133 WeakPolarHBondContact O-CD2 3.45Å; K129-F133 WeakPolarHBondContact O-CE2 3.31Å
130F72.2Confident69Low17 Ų1771.3 Ų71.38%0.07538%0.375CS..Hα-helixtrans-76-32174.9-83.7-119.9000111.5V115 I126 L127 R128 E132 F133 G134 I136 I160 V162 W184V115-F130 HydrophobicContact CG1-CE2 4.43Å; V115-F130 HydrophobicContact CG1-CZ 4.18Å; I126-F130 HydrophobicContact CG2-CD2 3.7Å; I126-F130 HydrophobicContact CG2-CE2 3.61Å; I126-F130 VanDerWaalsContact O-CD2 3.22Å; I126-F130 WeakPolarHBondContact O-CD2 3.33Å; I126-F130 PolarHBondContact O-N 2.79Å; L127-F130 PolarHBondContact O-N 2.66Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.29Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 3.27Å; F130-F133 WeakPolarHBondContact O-CB 3.35Å; F130-F133 PolarHBondContact O-N 3.17Å; F130-F133 VanDerWaalsContact O-N 3.09Å; F130-G134 PolarHBondContact O-N 2.98Å; F130-I136 HydrophobicContact CB-CD1 3.83Å; F130-I160 HydrophobicContact CD1-CG2 4.22Å; F130-I160 HydrophobicContact CE1-CB 3.89Å; F130-I160 HydrophobicContact CE1-CG2 3.35Å; F130-I160 WeakPolarHBondContact CE1-O 3.26Å; F130-I160 HydrophobicContact CE2-CG2 4.42Å; F130-I160 HydrophobicContact CZ-CB 4.48Å; F130-I160 HydrophobicContact CZ-CG2 3.47Å; F130-I160 VanDerWaalsContact CZ-CG2 3.47Å; F130-V162 HydrophobicContact CE1-CG2 3.74Å; F130-V162 HydrophobicContact CZ-CG2 3.68Å; F130-W184 HydrophobicContact CE2-CZ3 4.07Å; F130-W184 HydrophobicContact CZ-CZ3 4.32Å
131A72Confident68.9Low29 Ų2968.5 Ų68.524%0.2436%0.359CS..Hα-helixtrans-71-18.6170.600000114.4L55 L127 R128 F133 G134 I136L55-A131 HydrophobicContact CD1-CB 3.68Å; L127-A131 PolarHBondContact O-N 3.4Å; R128-A131 PolarHBondContact O-N 3.36Å; A131-F133 PolarHBondContact O-N 3.31Å; A131-G134 WeakPolarHBondContact CA-O 3.27Å; A131-I136 HydrophobicContact CB-CD1 4.27Å
132E77.3Confident68.1Low128 Ų12861.1 Ų61.160%0.59833%0.329SS*.THydrogen-bonded Turntrans-69.2-18167.1-72.5174.8-159.100112.8R128 K129 F130R128-E132 PolarHBondContact O-N 3.03Å; R128-E132 VanDerWaalsContact O-N 3.1Å; K129-E132 IonicContact NZ-OE1 3.5Å; K129-E132 PolarHBondContact NZ-OE1 3.44Å; K129-E132 IonicContact NZ-OE2 3.26Å; K129-E132 PolarHBondContact NZ-OE2 3.02Å; K129-E132 WeakPolarHBondContact O-CB 3.38Å; K129-E132 PolarHBondContact O-N 2.86Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 3.27Å
133F68.2Low66.9Low74 Ų7466.2 Ų66.233%0.32536%0.355SS..THydrogen-bonded Turntrans-85.9-72168.5-63.8-82.4000109.2K129 F130 A131 F157 I160 K183K129-F133 WeakPolarHBondContact O-CD2 3.45Å; K129-F133 WeakPolarHBondContact O-CE2 3.31Å; F130-F133 WeakPolarHBondContact O-CB 3.35Å; F130-F133 PolarHBondContact O-N 3.17Å; F130-F133 VanDerWaalsContact O-N 3.09Å; A131-F133 PolarHBondContact O-N 3.31Å; F133-F157 HydrophobicContact CB-CD1 4.04Å; F133-F157 HydrophobicContact CB-CD2 4.09Å; F133-F157 HydrophobicContact CB-CE1 3.68Å; F133-F157 HydrophobicContact CB-CE2 3.79Å; F133-F157 HydrophobicContact CB-CG 4.28Å; F133-F157 HydrophobicContact CB-CZ 3.57Å; F133-F157 HydrophobicContact CD1-CD1 4.24Å; F133-F157 AromaticContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CZ 4.23Å; F133-F157 HydrophobicContact CG-CE1 4.14Å; F133-F157 HydrophobicContact CG-CZ 4.41Å; F133-F157 WeakPolarHBondContact O-CE2 2.86Å; F133-F157 WeakPolarHBondContact O-CZ 3.31Å; F133-I160 HydrophobicContact CB-CD1 3.66Å; F133-I160 HydrophobicContact CD1-CD1 3.75Å; F133-I160 HydrophobicContact CD2-CD1 3.61Å; F133-I160 HydrophobicContact CE1-CD1 4.27Å; F133-I160 HydrophobicContact CE2-CD1 4.16Å; F133-I160 HydrophobicContact CG-CD1 3.38Å; F133-I160 HydrophobicContact CZ-CD1 4.46Å; F133-K183 HydrophobicContact CE1-CD 4.14Å; F133-K183 HydrophobicContact CZ-CD 4.48Å
134G63Low65.4Low18 Ų1874.3 Ų74.319%0.18638%0.383CS..SBendtrans-145.9172.1-172.700000115F130 A131 I136F130-G134 PolarHBondContact O-N 2.98Å; A131-G134 WeakPolarHBondContact CA-O 3.27Å; G134-I136 PolarHBondContact O-N 2.74Å
135T68.1Low63.4Low119 Ų11978.9 Ų78.973%0.7341%0.406SS*.  trans-63.4114.4178.2-560000110.8C137T135-C137 PolarHBondContact O-N 3.07Å
136I71.3Confident61Low54 Ų5477.5 Ų77.528%0.27741%0.409SS..  trans-79.5114.7171.8-56.1177.3000108.5L127 F130 A131 G134 C138L127-I136 HydrophobicContact CD2-CD1 4.28Å; L127-I136 WeakPolarHBondContact O-CD1 3.18Å; F130-I136 HydrophobicContact CB-CD1 3.83Å; A131-I136 HydrophobicContact CB-CD1 4.27Å; G134-I136 PolarHBondContact O-N 2.74Å; I136-C138 VanDerWaalsContact CG2-O 3.27Å; I136-C138 WeakPolarHBondContact CG2-O 3.38Å
137C65.4Low59.1Low62 Ų6278.9 Ų78.942%0.41941%0.414SS..  trans-84.8-36.9-176.2-62.10000113.2T135 L151 N152T135-C137 PolarHBondContact O-N 3.07Å; C137-L151 HydrophobicContact CB-CD2 4.24Å; C137-N152 PolarHBondContact SG-N 3.48Å
138C67.3Low57Low62 Ų6283.4 Ų83.442%0.41943%0.433SS..  trans-143.7159.3170.964.70000109.6I136 S150I136-C138 VanDerWaalsContact CG2-O 3.27Å; I136-C138 WeakPolarHBondContact CG2-O 3.38Å; C138-S150 PolarHBondContact SG-O 2.96Å
139Y66.6Low55.1Low49 Ų4976.4 Ų76.419%0.19241%0.407CS..  trans-146.4149.4163.175.3-76.3000113.4L60 L127L60-Y139 HydrophobicContact CB-CE1 4.01Å; L60-Y139 HydrophobicContact CD2-CE1 4.3Å; L127-Y139 HydrophobicContact CD1-CD2 3.59Å; L127-Y139 HydrophobicContact CD1-CE2 3.48Å; L127-Y139 VanDerWaalsContact CD1-CE2 3.48Å; L127-Y139 HydrophobicContact CD1-CG 4.2Å; L127-Y139 HydrophobicContact CD2-CD2 4.04Å; L127-Y139 HydrophobicContact CD2-CG 4.03Å; L127-Y139 HydrophobicContact CG-CD2 4.49Å
140E59.7Low53.1Low109 Ų10974.5 Ų74.551%0.50940%0.404SS..  trans-127.6134.9176-158.4-178.2173.300108.8Y147E140-Y147 HydrophobicContact CB-CD1 3.83Å; E140-Y147 HydrophobicContact CB-CG 4.32Å; E140-Y147 HydrophobicContact CG-CD1 3.48Å; E140-Y147 VanDerWaalsContact CG-CD1 3.48Å; E140-Y147 HydrophobicContact CG-CE1 3.75Å; E140-Y147 HydrophobicContact CG-CG 4.38Å; E140-Y147 WeakPolarHBondContact OE1-CE1 3.45Å; E140-Y147 WeakPolarHBondContact OE2-CD1 3.13Å
141A60.4Low51.2Low44 Ų4475.7 Ų75.736%0.36441%0.411SS..  trans-145.7127.2-176.100000110.2
142G51Low49.1Very low20 Ų2078.3 Ų78.321%0.20642%0.421CS..  trans-168175.6179.100000111.8Y144 Y147G142-Y144 VanDerWaalsContact C-N 3.26Å; G142-Y144 PolarHBondContact O-N 3.16Å; G142-Y147 WeakPolarHBondContact CA-OH 3.36Å; G142-Y147 WeakPolarHBondContact O-CE2 2.99Å
143N40.3Very low46.9Very low143 Ų14378.2 Ų78.277%0.76542%0.424SS*.SBendtrans-91.623.3-164.2-57.4-1000113.2
144Y34.1Very low44.9Very low190 Ų19080.1 Ų80.175%0.74544%0.444SS*.SBendtrans-136.3166.3-167.6-64-75.7000112.6G142 A146 Y147G142-Y144 VanDerWaalsContact C-N 3.26Å; G142-Y144 PolarHBondContact O-N 3.16Å; Y144-A146 PolarHBondContact O-N 3.47Å; Y144-Y147 WeakPolarHBondContact O-CE2 3.21Å
145L26.8Very low43.1Very low173 Ų17386.8 Ų86.891%0.90647%0.468SS*.SBendtrans-68.6116.2-169.2-70.4157.9000112.6
146A25.5Very low41.2Very low60 Ų6088 Ų8850%0.49646%0.464SS..  trans78.4136.5171.900000117.9Y144Y144-A146 PolarHBondContact O-N 3.47Å
147Y31.2Very low39.1Very low41 Ų4189.8 Ų89.816%0.16147%0.47CS..  trans-146.3161.7174.9-70.5-63.4000109.9T114 E140 G142 Y144 R163T114-Y147 VanDerWaalsContact CG2-O 3.24Å; T114-Y147 WeakPolarHBondContact CG2-O 2.95Å; T114-Y147 PolarHBondContact OG1-O 3.29Å; E140-Y147 HydrophobicContact CB-CD1 3.83Å; E140-Y147 HydrophobicContact CB-CG 4.32Å; E140-Y147 HydrophobicContact CG-CD1 3.48Å; E140-Y147 VanDerWaalsContact CG-CD1 3.48Å; E140-Y147 HydrophobicContact CG-CE1 3.75Å; E140-Y147 HydrophobicContact CG-CG 4.38Å; E140-Y147 WeakPolarHBondContact OE1-CE1 3.45Å; E140-Y147 WeakPolarHBondContact OE2-CD1 3.13Å; G142-Y147 WeakPolarHBondContact CA-OH 3.36Å; G142-Y147 WeakPolarHBondContact O-CE2 2.99Å; Y144-Y147 WeakPolarHBondContact O-CE2 3.21Å; Y147-R163 PolarHBondContact O-NH2 2.86Å
148F28.4Very low37.2Very low120 Ų12095.5 Ų95.553%0.52649%0.488SS..  trans-126.8147.6179.7-74.4-106000110.9
149L33.8Very low35.3Very low11 Ų1197.5 Ų97.56%0.05849%0.494CS..BIsolated β-bridgetrans-130.583.7-178.7-59.8178.6000110.4C112 V113C112-L149 WeakPolarHBondContact CA-O 3.4Å; C112-L149 WeakPolarHBondContact CB-O 3.12Å; V113-L149 HydrophobicContact CB-CD1 4.47Å; V113-L149 HydrophobicContact CG2-CB 3.77Å; V113-L149 HydrophobicContact CG2-CD1 3.79Å; V113-L149 HydrophobicContact CG2-CG 4.35Å; V113-L149 PolarHBondContact N-O 2.88Å; V113-L149 VanDerWaalsContact O-CB 3.26Å; V113-L149 WeakPolarHBondContact O-CB 3.37Å; V113-L149 WeakPolarHBondContact O-CG 3.33Å; V113-L149 PolarHBondContact O-N 3.27Å; V113-L149 VanDerWaalsContact O-N 3.16Å
150S32.6Very low33.7Very low41 Ų4196 Ų9629%0.28749%0.49SS..  trans-75127.9-179.3-175.50000111.6C138C138-S150 PolarHBondContact SG-O 2.96Å
151L31.4Very low32.3Very low42 Ų4292.9 Ų92.922%0.2248%0.482CS..  trans-112119.1177.1-55.9-173.2000111.5A111 C137 N153A111-L151 HydrophobicContact CB-CB 4.25Å; A111-L151 WeakPolarHBondContact CB-O 3.16Å; A111-L151 WeakPolarHBondContact O-CG 3.06Å; C137-L151 HydrophobicContact CB-CD2 4.24Å; L151-N153 PolarHBondContact O-N 2.98Å
152N29.8Very low30.9Very low84 Ų8490.9 Ų90.945%0.44947%0.465SS..  trans-89.776.6177.3-83.7-60.6000111.4C137C137-N152 PolarHBondContact SG-N 3.48Å
153N29.8Very low30Very low126 Ų12694.8 Ų94.867%0.67447%0.474SS*.  trans-170.6137.8152.2-113.9-83.9000112.1L151 F155L151-N153 PolarHBondContact O-N 2.98Å; N153-F155 VanDerWaalsContact C-N 3.28Å; N153-F155 PolarHBondContact O-N 3.03Å
154P26.5Very low29.5Very low115 Ų11592.2 Ų92.275%0.74746%0.457SS*.SBendtrans-85.122.9-173.735.2-37000115.1
155F25.9Very low29.3Very low157 Ų15786.3 Ų86.369%0.68944%0.438SS*.SBendtrans-134.4113.2-178.4-76.8-82.7000111.7N153N153-F155 VanDerWaalsContact C-N 3.28Å; N153-F155 PolarHBondContact O-N 3.03Å
156F27Very low29.4Very low145 Ų14583 Ų8364%0.63642%0.422SS*.SBendtrans59103.2-173.1-48.1-94.4000110.8
157F28.1Very low29.7Very low92 Ų9284.8 Ų84.840%0.40444%0.436SS..  -139154.454-87.4-84.8000115.5F133 I160F133-F157 HydrophobicContact CB-CD1 4.04Å; F133-F157 HydrophobicContact CB-CD2 4.09Å; F133-F157 HydrophobicContact CB-CE1 3.68Å; F133-F157 HydrophobicContact CB-CE2 3.79Å; F133-F157 HydrophobicContact CB-CG 4.28Å; F133-F157 HydrophobicContact CB-CZ 3.57Å; F133-F157 HydrophobicContact CD1-CD1 4.24Å; F133-F157 AromaticContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CZ 4.23Å; F133-F157 HydrophobicContact CG-CE1 4.14Å; F133-F157 HydrophobicContact CG-CZ 4.41Å; F133-F157 WeakPolarHBondContact O-CE2 2.86Å; F133-F157 WeakPolarHBondContact O-CZ 3.31Å; F157-I160 HydrophobicContact CD1-CD1 4.05Å; F157-I160 HydrophobicContact CG-CD1 4.34Å
158K25.6Very low29.7Very low181 Ų18191.5 Ų91.579%0.78747%0.469SS*.SBendtrans-88.4126.8150.8-72.8-169.5173.8-173.10109
159D27.3Very low30.1Very low104 Ų10490.3 Ų90.356%0.55647%0.471SS*.  trans48.889.1154.8-43.3-39.7000117.1
160I31.9Very low30.1Very low19 Ų1994.4 Ų94.410%0.09750%0.497CS..  trans-129.252.4158.9-32.3-179.6000110.2V113 F130 F133 F157 V162 V180V113-I160 VanDerWaalsContact CB-O 3.23Å; V113-I160 WeakPolarHBondContact CB-O 3.1Å; V113-I160 WeakPolarHBondContact CG1-O 3.21Å; F130-I160 HydrophobicContact CD1-CG2 4.22Å; F130-I160 HydrophobicContact CE1-CB 3.89Å; F130-I160 HydrophobicContact CE1-CG2 3.35Å; F130-I160 WeakPolarHBondContact CE1-O 3.26Å; F130-I160 HydrophobicContact CE2-CG2 4.42Å; F130-I160 HydrophobicContact CZ-CB 4.48Å; F130-I160 HydrophobicContact CZ-CG2 3.47Å; F130-I160 VanDerWaalsContact CZ-CG2 3.47Å; F133-I160 HydrophobicContact CB-CD1 3.66Å; F133-I160 HydrophobicContact CD1-CD1 3.75Å; F133-I160 HydrophobicContact CD2-CD1 3.61Å; F133-I160 HydrophobicContact CE1-CD1 4.27Å; F133-I160 HydrophobicContact CE2-CD1 4.16Å; F133-I160 HydrophobicContact CG-CD1 3.38Å; F133-I160 HydrophobicContact CZ-CD1 4.46Å; F157-I160 HydrophobicContact CD1-CD1 4.05Å; F157-I160 HydrophobicContact CG-CD1 4.34Å; I160-V162 HydrophobicContact CG2-CG2 4.47Å; I160-V162 WeakPolarHBondContact O-CG2 3.2Å; I160-V180 HydrophobicContact CG2-CG1 4.3Å
161A32Very low29.9Very low42 Ų4296.8 Ų96.835%0.34751%0.513SS..  trans-86.6149.8172.400000111.8V113V113-A161 HydrophobicContact CG1-CB 4.27Å
162V30.9Very low30.1Very low3 Ų3105.3 Ų105.32%0.01855%0.548CS..  trans-173122.2-151.7-125.30000103.7T114 V115 F116 F130 I160 W184T114-V162 CarbonylContact C-O 3.05Å; T114-V162 VanDerWaalsContact CA-O 3.31Å; T114-V162 WeakPolarHBondContact CA-O 3.21Å; T114-V162 WeakPolarHBondContact CB-O 3.44Å; T114-V162 WeakPolarHBondContact O-CB 3.34Å; T114-V162 WeakPolarHBondContact O-CG2 3.44Å; V115-V162 VanDerWaalsContact C-C 3.45Å; V115-V162 CarbonylContact C-O 2.76Å; V115-V162 HydrophobicContact CB-CB 4.44Å; V115-V162 HydrophobicContact CG1-CB 3.85Å; V115-V162 HydrophobicContact CG1-CG1 3.87Å; V115-V162 HydrophobicContact CG1-CG2 4.1Å; V115-V162 PolarHBondContact N-O 3.25Å; V115-V162 VanDerWaalsContact N-O 3.07Å; F116-V162 HydrophobicContact CB-CB 4.25Å; F116-V162 HydrophobicContact CB-CG1 3.64Å; F116-V162 HydrophobicContact CD2-CB 3.88Å; F116-V162 HydrophobicContact CD2-CG1 3.17Å; F116-V162 HydrophobicContact CE2-CB 4.49Å; F116-V162 HydrophobicContact CE2-CG1 4.03Å; F116-V162 HydrophobicContact CG-CB 4.12Å; F116-V162 HydrophobicContact CG-CG1 3.64Å; F116-V162 VanDerWaalsContact N-CB 3.3Å; F130-V162 HydrophobicContact CE1-CG2 3.74Å; F130-V162 HydrophobicContact CZ-CG2 3.68Å; I160-V162 HydrophobicContact CG2-CG2 4.47Å; I160-V162 WeakPolarHBondContact O-CG2 3.2Å; V162-W184 HydrophobicContact CG1-CH2 3.97Å; V162-W184 HydrophobicContact CG1-CZ2 3.68Å
163R30.7Very low30.3Very low102 Ų102104.9 Ų104.939%0.38555%0.552SS.*  trans-136.9134.7-177.1-89.4-169.8170.7175.6-2.7114.8T114 V115 F116 Y147T114-R163 VanDerWaalsContact CB-CG 3.47Å; T114-R163 HydrophobicContact CG2-CG 3.76Å; T114-R163 PolarHBondContact OG1-NE 2.87Å; T114-R163 PolarHBondContact OG1-NH2 3.31Å; V115-R163 CarbonylContact O-C 3.51Å; V115-R163 WeakPolarHBondContact O-CA 3.24Å; F116-R163 WeakPolarHBondContact CD1-O 3.47Å; Y147-R163 PolarHBondContact O-NH2 2.86Å
164Q29.8Very low30.5Very low89 Ų89103.3 Ų103.342%0.41654%0.543SS..  trans-69.1137.4-151.8-156.9170.11.800112.3V115 F118V115-Q164 WeakPolarHBondContact O-CA 3.45Å; V115-Q164 WeakPolarHBondContact O-CB 3.44Å; V115-Q164 PolarHBondContact O-N 3.37Å; F118-Q164 HydrophobicContact CD1-CG 4.04Å; F118-Q164 HydrophobicContact CE1-CB 4.48Å; F118-Q164 HydrophobicContact CE1-CG 3.87Å; F118-Q164 PolarHBondContact O-NE2 3.19Å
165L29.5Very low30.9Very low66 Ų66102.5 Ų102.535%0.34655%0.546SS..  trans-146.3114.5-162.7-110.6163.3000110.3F116 T169 V170F116-L165 HydrophobicContact CD1-CD1 4.25Å; F116-L165 HydrophobicContact CE1-CD1 4.13Å; L165-T169 HydrophobicContact CD2-CG2 4.02Å; L165-V170 HydrophobicContact CB-CG2 4.09Å; L165-V170 HydrophobicContact CD1-CG2 4.2Å; L165-V170 HydrophobicContact CD2-CG2 4.04Å; L165-V170 HydrophobicContact CG-CG2 4.34Å
166D29Very low31.3Very low104 Ų104100.7 Ų100.756%0.55655%0.553SS**  trans-56.3134.2172.8-173-39.8000110.1H168 T169D166-H168 PolarHBondContact O-N 2.68Å; D166-H168 IonicContact OD1-CD2 2.65Å; D166-H168 PolarHBondContact OD1-CD2 3.3Å; D166-H168 IonicContact OD1-CG 3.94Å; D166-H168 PolarHBondContact OD1-N 2.78Å; D166-T169 PolarHBondContact O-N 3.17Å
167A31.4Very low31.8Very low97 Ų97100.5 Ų100.580%0.80255%0.554SS**THydrogen-bonded Turntrans-55.1-21.7-17700000113.6T169A167-T169 VanDerWaalsContact C-N 3.31Å; A167-T169 PolarHBondContact O-N 3Å
168H33.1Very low32.2Very low182 Ų182101.7 Ų101.784%0.84356%0.559SS**THydrogen-bonded Turntrans-76.2-9.5176-74.1-77000115.3D166D166-H168 PolarHBondContact O-N 2.68Å; D166-H168 IonicContact OD1-CD2 2.65Å; D166-H168 PolarHBondContact OD1-CD2 3.3Å; D166-H168 IonicContact OD1-CG 3.94Å; D166-H168 PolarHBondContact OD1-N 2.78Å
169T35.6Very low32.7Very low95 Ų9596 Ų9658%0.58355%0.553SS**THydrogen-bonded Turntrans-109.4-18.4-168.5-43.40000114.2L165 D166 A167 S171L165-T169 HydrophobicContact CD2-CG2 4.02Å; D166-T169 PolarHBondContact O-N 3.17Å; A167-T169 VanDerWaalsContact C-N 3.31Å; A167-T169 PolarHBondContact O-N 3Å; T169-S171 PolarHBondContact O-N 2.99Å
170V33.4Very low33.4Very low97 Ų9792.5 Ų92.559%0.58854%0.535SS*.  trans-81.983.8-176.1-1710000111.7L165L165-V170 HydrophobicContact CB-CG2 4.09Å; L165-V170 HydrophobicContact CD1-CG2 4.2Å; L165-V170 HydrophobicContact CD2-CG2 4.04Å; L165-V170 HydrophobicContact CG-CG2 4.34Å
171S29Very low34Very low90 Ų9093.9 Ų93.963%0.62955%0.554SS**  trans-59.6151.9160.9-172.50000110.6T169 S173T169-S171 PolarHBondContact O-N 2.99Å; S171-S173 PolarHBondContact O-N 3.44Å
172K36.5Very low34.6Very low221 Ų22197.4 Ų97.496%0.96156%0.563SS**SBendtrans-73.831.5-168.9-63.5-176.5176.3-179.70115.2
173S32.9Very low35.4Very low75 Ų75104.7 Ų104.752%0.52459%0.594SS.*  trans-118.7138.8-175.750.70000111.5S171S171-S173 PolarHBondContact O-N 3.44Å
174N34.9Very low36.1Very low93 Ų93102.2 Ų102.250%0.49759%0.585SS.*  trans80.314.4164.5-50.96000118.2S176 Q177N174-S176 PolarHBondContact O-N 3.3Å; N174-S176 VanDerWaalsContact O-N 3.11Å; N174-Q177 HydrophobicContact CB-CB 4.1Å; N174-Q177 PolarHBondContact ND2-OE1 2.97Å; N174-Q177 VanDerWaalsContact O-CB 3.31Å; N174-Q177 WeakPolarHBondContact O-CB 3.34Å; N174-Q177 PolarHBondContact O-N 2.95Å
175A34.4Very low36.8Very low98 Ų98103 Ų10381%0.8159%0.589SS**G310 helixtrans-57.9-20.4163.100000113.2Q177A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.9Å
176S34.8Very low37.7Very low119 Ų119103.7 Ų103.783%0.83259%0.593SS**G310 helixtrans-81.22.2173.7600000114.9N174N174-S176 PolarHBondContact O-N 3.3Å; N174-S176 VanDerWaalsContact O-N 3.11Å
177Q37.4Very low38.6Very low141 Ų141101.3 Ų101.366%0.65958%0.578SS**G310 helixtrans-104.7-8.2-173.1-158.9169.112.800113.5N174 A175N174-Q177 HydrophobicContact CB-CB 4.1Å; N174-Q177 PolarHBondContact ND2-OE1 2.97Å; N174-Q177 VanDerWaalsContact O-CB 3.31Å; N174-Q177 WeakPolarHBondContact O-CB 3.34Å; N174-Q177 PolarHBondContact O-N 2.95Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.9Å
178F36.3Very low39.3Very low117 Ų11799.8 Ų99.851%0.51356%0.561SS.*SBendtrans-106.7135.3171-65.9-90.4000109F116 V180F116-F178 HydrophobicContact CZ-CD2 4.33Å; F116-F178 HydrophobicContact CZ-CE2 4.36Å; F178-V180 HydrophobicContact CB-CG2 3.73Å; F178-V180 PolarHBondContact O-N 3.05Å
179G36.6Very low40Very low63 Ų6397.9 Ų97.965%0.64955%0.552SS**  trans-69.917.6-173.600000116.3G181G179-G181 PolarHBondContact O-N 3.46Å
180V42.2Very low40.7Very low29 Ų2997.7 Ų97.718%0.17655%0.554CS.*  trans-70.1101.6-173.1-135.80000109.7I160 F178 W184I160-V180 HydrophobicContact CG2-CG1 4.3Å; F178-V180 HydrophobicContact CB-CG2 3.73Å; F178-V180 PolarHBondContact O-N 3.05Å; V180-W184 HydrophobicContact CB-CB 3.97Å; V180-W184 HydrophobicContact CB-CG 3.95Å; V180-W184 HydrophobicContact CG1-CB 3.54Å; V180-W184 HydrophobicContact CG1-CD2 4.17Å; V180-W184 HydrophobicContact CG1-CG 3.51Å
181G42.9Very low40.8Very low48 Ų4899.9 Ų99.950%0.49556%0.563SS.*  trans-63.8172.7-168.700000115.2G179 K183 W184G179-G181 PolarHBondContact O-N 3.46Å; G181-K183 PolarHBondContact O-N 2.94Å; G181-W184 PolarHBondContact O-N 2.99Å
182Q44.8Very low41.4Very low117 Ų117100.4 Ų100.455%0.54756%0.559SS.*Hα-helixtrans-42.1-34.9-170.1-166.263.157.700116.1W184 Q185 N186Q182-W184 VanDerWaalsContact C-N 3.32Å; Q182-W184 PolarHBondContact O-N 2.9Å; Q182-Q185 PolarHBondContact O-N 2.75Å; Q182-N186 PolarHBondContact NE2-OD1 3.23Å; Q182-N186 PolarHBondContact O-N 3.38Å; Q182-N186 PolarHBondContact O-OD1 3.28Å; Q182-N186 VanDerWaalsContact O-OD1 3.05Å
183K47.2Very low41.7Very low155 Ų15594 Ų9467%0.67454%0.538SS*.Hα-helixtrans-58-39.4175.8-72.4-174.8174.8-176.80113.2F133 G181 N186 F187F133-K183 HydrophobicContact CE1-CD 4.14Å; F133-K183 HydrophobicContact CZ-CD 4.48Å; G181-K183 PolarHBondContact O-N 2.94Å; K183-N186 PolarHBondContact O-N 3.49Å; K183-F187 PolarHBondContact O-N 3.44Å
184W47.1Very low42.1Very low51 Ų5195.1 Ų95.119%0.19354%0.539CS..Hα-helixtrans-71.8-42.3177.1-177-105.2000111.6F116 F130 V162 V180 G181 Q182 N186 F187 C188F116-W184 HydrophobicContact CD2-CZ2 4.46Å; F130-W184 HydrophobicContact CE2-CZ3 4.07Å; F130-W184 HydrophobicContact CZ-CZ3 4.32Å; V162-W184 HydrophobicContact CG1-CH2 3.97Å; V162-W184 HydrophobicContact CG1-CZ2 3.68Å; V180-W184 HydrophobicContact CB-CB 3.97Å; V180-W184 HydrophobicContact CB-CG 3.95Å; V180-W184 HydrophobicContact CG1-CB 3.54Å; V180-W184 HydrophobicContact CG1-CD2 4.17Å; V180-W184 HydrophobicContact CG1-CG 3.51Å; G181-W184 PolarHBondContact O-N 2.99Å; Q182-W184 VanDerWaalsContact C-N 3.32Å; Q182-W184 PolarHBondContact O-N 2.9Å; W184-N186 PolarHBondContact O-N 3.02Å; W184-F187 HydrophobicContact CD2-CD1 4.49Å; W184-F187 AromaticContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CG 4.49Å; W184-F187 AromaticContact CH2-CD1 3.97Å; W184-F187 HydrophobicContact CH2-CD1 3.97Å; W184-F187 AromaticContact CH2-CE1 3.93Å; W184-F187 HydrophobicContact CH2-CE1 3.93Å; W184-F187 AromaticContact CZ3-CD1 3.58Å; W184-F187 HydrophobicContact CZ3-CD1 3.58Å; W184-F187 AromaticContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CG 4.47Å; W184-F187 WeakPolarHBondContact O-CB 3.37Å; W184-F187 PolarHBondContact O-N 3.21Å; W184-F187 VanDerWaalsContact O-N 3.09Å; W184-C188 PolarHBondContact O-N 2.83Å
185Q43.6Very low42.6Very low104 Ų10495.2 Ų95.249%0.48654%0.542SS..Hα-helixtrans-58.7-38.3173.8-169.4-178.447.400111.8Q182 Q189Q182-Q185 PolarHBondContact O-N 2.75Å; Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q185-Q189 PolarHBondContact O-N 3.28Å
186N48.5Very low43.1Very low82 Ų8295 Ų9544%0.43953%0.525SS..Hα-helixtrans-69.9-38.9175-65.38.8000111.9Q182 K183 W184 Q189 S190Q182-N186 PolarHBondContact NE2-OD1 3.23Å; Q182-N186 PolarHBondContact O-N 3.38Å; Q182-N186 PolarHBondContact O-OD1 3.28Å; Q182-N186 VanDerWaalsContact O-OD1 3.05Å; K183-N186 PolarHBondContact O-N 3.49Å; W184-N186 PolarHBondContact O-N 3.02Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-S190 PolarHBondContact O-N 3.19Å; N186-S190 VanDerWaalsContact O-N 3.11Å; N186-S190 PolarHBondContact O-OG 3.41Å
187F47.2Very low43.6Very low54 Ų5493.4 Ų93.424%0.23750%0.504CS..Hα-helixtrans-60.4-44.3176.4173.9-100.1000112K183 W184 Q189 S190 N191K183-F187 PolarHBondContact O-N 3.44Å; W184-F187 HydrophobicContact CD2-CD1 4.49Å; W184-F187 AromaticContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CG 4.49Å; W184-F187 AromaticContact CH2-CD1 3.97Å; W184-F187 HydrophobicContact CH2-CD1 3.97Å; W184-F187 AromaticContact CH2-CE1 3.93Å; W184-F187 HydrophobicContact CH2-CE1 3.93Å; W184-F187 AromaticContact CZ3-CD1 3.58Å; W184-F187 HydrophobicContact CZ3-CD1 3.58Å; W184-F187 AromaticContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CG 4.47Å; W184-F187 WeakPolarHBondContact O-CB 3.37Å; W184-F187 PolarHBondContact O-N 3.21Å; W184-F187 VanDerWaalsContact O-N 3.09Å; F187-Q189 PolarHBondContact O-N 3.2Å; F187-S190 PolarHBondContact O-N 3.45Å; F187-S190 PolarHBondContact O-OG 2.99Å; F187-N191 VanDerWaalsContact CD2-ND2 3.31Å; F187-N191 WeakPolarHBondContact CD2-ND2 3.36Å; F187-N191 WeakPolarHBondContact CE2-ND2 3.44Å; F187-N191 PolarHBondContact O-N 3.48Å; F187-N191 PolarHBondContact O-ND2 3.21Å
188C46.9Very low44.1Very low65 Ų6590 Ų9044%0.43949%0.493SS..Hα-helixtrans-75.69.9173.5-57.30000114.4W184W184-C188 PolarHBondContact O-N 2.83Å
189Q48.9Very low44.7Very low142 Ų14287.9 Ų87.966%0.66449%0.492SS*.Hα-helixtrans-115.9-15.3169-72.71751800112.4Q185 N186 F187Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q185-Q189 PolarHBondContact O-N 3.28Å; N186-Q189 PolarHBondContact O-N 2.87Å; F187-Q189 PolarHBondContact O-N 3.2Å
190S50.3Low45.4Very low90 Ų9090 Ų9063%0.62948%0.479SS*.Hα-helixtrans-103.7-7.2177.167.30000114.1N186 F187N186-S190 PolarHBondContact O-N 3.19Å; N186-S190 VanDerWaalsContact O-N 3.11Å; N186-S190 PolarHBondContact O-OG 3.41Å; F187-S190 PolarHBondContact O-N 3.45Å; F187-S190 PolarHBondContact O-OG 2.99Å
191N34.9Very low45.7Very low143 Ų14395.5 Ų95.577%0.76551%0.506SS*.  trans-1410176.4-41.4-103.5000108F187F187-N191 VanDerWaalsContact CD2-ND2 3.31Å; F187-N191 WeakPolarHBondContact CD2-ND2 3.36Å; F187-N191 WeakPolarHBondContact CE2-ND2 3.44Å; F187-N191 PolarHBondContact O-N 3.48Å; F187-N191 PolarHBondContact O-ND2 3.21Å

Retrieved 191 of 191 residues in 169.7 ms (Link to these results)