A0A096M551_POEFO Loading...

MYCL proto-oncogene, bHLH transcription factor b

AlphaFold DB , UniProt , Accession A0A096M551, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M30.5Very low43.4Very low230 Ų230134.7 Ų134.7100%1.13379%0.785SS**  0144.80-83.2-88.785.400107.9
2P47.8Very low43.1Very low121 Ų121134.9 Ų134.979%0.78677%0.773SS**  -112.4176.1-105.339.4-34.4000114.2
3G41.7Very low42.7Very low59 Ų59132.7 Ų132.761%0.60876%0.757SS**  trans156.590.4155.100000114.5
4I48.9Very low42.5Very low162 Ų162139.6 Ų139.683%0.83177%0.765SS**  74.6110105.564.1160.3000114
5S43Very low42.6Very low120 Ų120140.7 Ų140.784%0.83976%0.763SS**  64.6144.293.8-69.70000112.6
6S45.1Very low42.3Very low113 Ų113142.3 Ų142.379%0.7977%0.766SS**  cis178.1173.90.3-179.20000104.5
7A40.6Very low42.4Very low90 Ų90140.9 Ų140.974%0.74476%0.759SS**  trans86.8111.2153.400000119.4
8A39.3Very low42.7Very low89 Ų89142.9 Ų142.974%0.73676%0.762SS**  trans-62.1-165.5145.300000110.8
9P60.1Low43Very low97 Ų97145.7 Ų145.763%0.6376%0.762SS**  cis-144.5-163.2-2.825.82.4000114
10R43.3Very low43.2Very low222 Ų222145.4 Ų145.484%0.83876%0.757SS**  trans82.4143150-69.7-157.9-159.7113.3-0.6117.5
11Y36.6Very low43.2Very low179 Ų179147.1 Ų147.170%0.70276%0.761SS**  cis-178.2147-2.5-165.2-121.5000107.4
12E40.7Very low43.9Very low137 Ų137145 Ų14564%0.6474%0.742SS**  trans53.5146.2152.2-79176.6-176.400126.7
13N37.7Very low43.5Very low106 Ų106148.7 Ų148.757%0.56775%0.745SS**  trans79.9128.6151.8-117.3-0.7000116.9
14W39.5Very low43.9Very low229 Ų229154.8 Ų154.887%0.86775%0.751SS**  -152139.658.6-69.688.6000114.2
15E44.4Very low43.7Very low156 Ų156153 Ų15373%0.72974%0.743SS**  trans-48.9142.8154.4-84.4166.5149.500112.6
16M37.4Very low44.2Very low167 Ų167154.3 Ų154.382%0.82374%0.741SS**  trans-150.7108.5147.6-158.976.3-15800110.7
17D43.5Very low44.4Very low119 Ų119156.3 Ų156.364%0.63674%0.738SS**  trans-54.4137175.1-64.5-60.4000114.5
18H48.1Very low45.1Very low176 Ų176156.2 Ų156.282%0.81573%0.725SS**  trans-144.192.2142.7-72.285.8000110.4
19Y48.3Very low45.9Very low197 Ų197156.9 Ų156.977%0.77372%0.722SS**  trans-14.5137.5136.1-104-116.9000113
20Q46.9Very low45.4Very low139 Ų139158.3 Ų158.365%0.6572%0.724SS**  cis174135.834.6-166.3161.819.900108.1
21H44.7Very low45.9Very low182 Ų182153.8 Ų153.884%0.84371%0.712SS**  178.3126.2127.2-116.4-86.7000112.6
22Y45.1Very low46.5Very low186 Ų186151.4 Ų151.473%0.72971%0.712SS**  trans-62129.4175.6-84.6-111.6000112.7Y24Y22-Y24 HydrophobicContact CD1-CD2 4.43Å
23F39.2Very low46.9Very low197 Ų197152.7 Ų152.786%0.86472%0.716SS**  -139.9114.2127.1-113.8-89.1000107.2D25F23-D25 PolarHBondContact O-N 3.31Å
24Y49Very low47.5Very low187 Ų187155.3 Ų155.373%0.73372%0.722SS**  trans-70.9114.4153.6-98.7-98.1000105.3Y22Y22-Y24 HydrophobicContact CD1-CD2 4.43Å
25D44.4Very low48.1Very low124 Ų124151 Ų15166%0.66371%0.713SS**  trans-133.2104.9140.2-110.7-22.1000105.8F23 H27F23-D25 PolarHBondContact O-N 3.31Å; D25-H27 PolarHBondContact O-N 2.98Å
26D54.9Low48.4Very low148 Ų148148.7 Ų148.779%0.79172%0.715SS**  trans-71.576.4176.4-1461.3000106.6D28D26-D28 PolarHBondContact O-N 3.34Å
27H49.2Very low49Very low155 Ų155146.1 Ų146.172%0.71871%0.708SS**  trans-90.994.2169.6-85.6-62.8000108.4D25 P29D25-H27 PolarHBondContact O-N 2.98Å; H27-P29 WeakPolarHBondContact O-CD 3.36Å
28D55Low49.5Very low89 Ų89143.9 Ų143.948%0.47671%0.706SS.*  trans-49115.5164.3-166.5-9000110D26 D30D26-D28 PolarHBondContact O-N 3.34Å; D28-D30 PolarHBondContact O-N 3.27Å; D28-D30 WeakPolarHBondContact OD1-CB 3.46Å; D28-D30 PolarHBondContact OD1-N 3.36Å
29P54.9Low49.4Very low103 Ų103140.4 Ų140.467%0.66970%0.7SS**THydrogen-bonded Turntrans-72.3-3.8179.429.8-34.1000113.1H27H27-P29 WeakPolarHBondContact O-CD 3.36Å
30D50.4Low49.8Very low127 Ų127134.6 Ų134.668%0.67969%0.688SS**THydrogen-bonded Turntrans-87.7-10.8-175.1-70.4-21.1000114.1D28D28-D30 PolarHBondContact O-N 3.27Å; D28-D30 WeakPolarHBondContact OD1-CB 3.46Å; D28-D30 PolarHBondContact OD1-N 3.36Å
31E53.3Low50.3Low126 Ų126135.6 Ų135.659%0.58969%0.692SS**SBendtrans-89.3-26.2179.6-68.8-69.7157.500113.7
32D50.2Low50.9Low129 Ų129131.8 Ų131.869%0.6968%0.678SS**THydrogen-bonded Turntrans-80.1-21-177.4-78.6-17.5000113.5
33F49.5Very low51.8Low165 Ų165126.9 Ų126.972%0.72466%0.664SS**THydrogen-bonded Turntrans-74.8-27.7176.7-164.1-99.4000112.2T37F33-T37 PolarHBondContact O-OG1 3.16Å
34F49.4Very low52.7Low160 Ų160126.4 Ų126.470%0.70266%0.656SS**THydrogen-bonded Turntrans-86-14.3-176.4-153.7-101.8000114
35M53.2Low53.2Low138 Ų138124 Ų12468%0.6865%0.649SS**SBendtrans-94.9-6.6-178.8-72.5-63.612100115.3
36S50.4Low53.9Low109 Ų109126.4 Ų126.476%0.76265%0.654SS**SBendtrans-109.70.5-175.2-64.90000115.6
37T48.6Very low53.9Low112 Ų112126.6 Ų126.669%0.68765%0.648SS**SBendtrans-118.7-5.2-176.2-3.30000116F33F33-T37 PolarHBondContact O-OG1 3.16Å
38A54.4Low54.5Low72 Ų72126.8 Ų126.860%0.59565%0.649SS**SBendtrans-91.2127.7167.800000108.8S40A38-S40 PolarHBondContact O-N 3.41Å
39P45.8Very low54.5Low104 Ų104129.8 Ų129.868%0.67567%0.665SS**  trans-57.1111.3173-13.524.9000108.1I43P39-I43 HydrophobicContact CB-CD1 3.27Å
40S57.2Low54.8Low75 Ų75129.9 Ų129.952%0.52466%0.663SS.*  trans-60.3149.5-176.957.50000110.6A38 D42 I43A38-S40 PolarHBondContact O-N 3.41Å; S40-D42 PolarHBondContact O-N 3.03Å; S40-I43 PolarHBondContact O-N 2.89Å; S40-I43 VanDerWaalsContact O-N 3.09Å
41E56.8Low55Low160 Ų160129 Ų12975%0.74867%0.665SS**THydrogen-bonded Turntrans-45.7-19.2179.8-160.372.5-174.300114.1I43 W44 K45E41-I43 PolarHBondContact O-N 3.47Å; E41-W44 PolarHBondContact O-N 3.31Å; E41-K45 PolarHBondContact O-N 3.32Å
42D57.2Low55.1Low101 Ų101129.1 Ų129.154%0.5467%0.674SS.*Hα-helixtrans-62-23.2176.6-96.1-11.4000114.9S40 W44 K45 K46S40-D42 PolarHBondContact O-N 3.03Å; D42-W44 VanDerWaalsContact C-N 3.3Å; D42-W44 PolarHBondContact O-N 3.01Å; D42-K45 PolarHBondContact O-N 3.38Å; D42-K46 PolarHBondContact O-N 3.3Å
43I64.1Low55.2Low83 Ų83127.8 Ų127.843%0.42667%0.672SS.*Hα-helixtrans-67.1-37.1179.1-65163.2000110.5P39 S40 E41 F47P39-I43 HydrophobicContact CB-CD1 3.27Å; S40-I43 PolarHBondContact O-N 2.89Å; S40-I43 VanDerWaalsContact O-N 3.09Å; E41-I43 PolarHBondContact O-N 3.47Å; I43-F47 HydrophobicContact CG2-CE2 4.46Å; I43-F47 WeakPolarHBondContact O-CD2 3.41Å; I43-F47 WeakPolarHBondContact O-CE2 3.28Å
44W58.2Low55.5Low188 Ų188125.8 Ų125.871%0.71268%0.676SS**Hα-helixtrans-79-31178.7-60.994.1000111.9E41 D42 K46 F47 E48E41-W44 PolarHBondContact O-N 3.31Å; D42-W44 VanDerWaalsContact C-N 3.3Å; D42-W44 PolarHBondContact O-N 3.01Å; W44-K46 VanDerWaalsContact C-N 3.26Å; W44-K46 PolarHBondContact O-N 3.06Å; W44-F47 PolarHBondContact O-N 3.41Å; W44-E48 PolarHBondContact O-N 3.29Å
45K60.5Low55.4Low135 Ų135126.9 Ų126.959%0.58769%0.685SS**Hα-helixtrans-65.4-26174.6-157.1171.6-174.8175.80113.4E41 D42 F47E41-K45 PolarHBondContact O-N 3.32Å; D42-K45 PolarHBondContact O-N 3.38Å; K45-F47 VanDerWaalsContact C-N 3.26Å; K45-F47 PolarHBondContact O-N 3.48Å
46K58.1Low55.3Low176 Ų176125.3 Ų125.377%0.76569%0.688SS**THydrogen-bonded Turntrans-69.9-17.7171.5-77.4-166.580.1-151.40114.1D42 W44D42-K46 PolarHBondContact O-N 3.3Å; W44-K46 VanDerWaalsContact C-N 3.26Å; W44-K46 PolarHBondContact O-N 3.06Å
47F56.6Low55.1Low151 Ų151126 Ų12666%0.66269%0.69SS**THydrogen-bonded Turntrans-96.9-15.6177.9-66.9-81.9000113.6I43 W44 K45 L49I43-F47 HydrophobicContact CG2-CE2 4.46Å; I43-F47 WeakPolarHBondContact O-CD2 3.41Å; I43-F47 WeakPolarHBondContact O-CE2 3.28Å; W44-F47 PolarHBondContact O-N 3.41Å; K45-F47 VanDerWaalsContact C-N 3.26Å; K45-F47 PolarHBondContact O-N 3.48Å; F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 PolarHBondContact O-N 3.19Å
48E60.3Low54.8Low159 Ų159128 Ų12874%0.74369%0.694SS**THydrogen-bonded Turntrans-74.5-13.6176.3-80.1-174.9147.100114.2W44W44-E48 PolarHBondContact O-N 3.29Å
49L56.4Low54.3Low153 Ų153136.5 Ų136.580%0.80171%0.71SS**THydrogen-bonded Turntrans-107.624.5-176.9-119.182.6000114.7F47 P51F47-L49 VanDerWaalsContact C-N 3.28Å; F47-L49 PolarHBondContact O-N 3.19Å; L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å
50V60.9Low54.4Low104 Ų104137.8 Ų137.863%0.6371%0.711SS**SBendtrans-86.4108.1163-167.90000106.7T52V50-T52 PolarHBondContact O-N 3.44Å
51P54.9Low53.7Low110 Ų110140.4 Ų140.471%0.71473%0.726SS**  trans-55132.2172.123-30.6000107.5L49L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å
52T54.7Low53.2Low128 Ų128137.1 Ų137.179%0.78573%0.726SS**  trans-42.2120.6176.1-45.50000108.3V50V50-T52 PolarHBondContact O-N 3.44Å
53P51.8Low52.5Low100 Ų100142 Ų14265%0.64975%0.746SS**PPolyproline II helixtrans-53.8130.7178.416.7-27.3000108M55P53-M55 PolarHBondContact O-N 3.03Å
54P56.6Low51Low124 Ų124141.8 Ų141.881%0.80576%0.764SS**PPolyproline II helixtrans-55.4136.2-174.222.1-32.7000109.4S56P54-S56 PolarHBondContact O-N 3.46Å
55M47.7Very low50.3Low182 Ų182139 Ų13990%0.89777%0.774SS**PPolyproline II helixtrans-52.3138.8175.8-67-157.573.900109.8P53P53-M55 PolarHBondContact O-N 3.03Å
56S49.3Very low49.1Very low106 Ų106136.1 Ų136.174%0.74178%0.782SS**PPolyproline II helixtrans-52.8143.1177.7-53.90000111P54 M58P54-S56 PolarHBondContact O-N 3.46Å; S56-M58 PolarHBondContact O-N 3.01Å; S56-M58 VanDerWaalsContact O-N 3.16Å
57P46.4Very low48.5Very low124 Ų124136.9 Ų136.981%0.80579%0.788SS**PPolyproline II helixtrans-56.1122.2-178.3-21.930.9000111.1R59P57-R59 PolarHBondContact O-N 3.3Å
58M42.6Very low47.6Very low154 Ų154136.2 Ų136.276%0.75980%0.796SS**PPolyproline II helixtrans-62123.1164.9-78.6176.341.300108.3S56 L60S56-M58 PolarHBondContact O-N 3.01Å; S56-M58 VanDerWaalsContact O-N 3.16Å; M58-L60 HydrophobicContact CE-CD1 4.01Å; M58-L60 HydrophobicContact CE-CG 4.36Å; M58-L60 PolarHBondContact O-N 2.99Å
59R43.7Very low46.5Very low249 Ų249131.7 Ų131.794%0.9479%0.792SS**  trans-70.381.2168-62.6-169-161.5152.93.3109P57P57-R59 PolarHBondContact O-N 3.3Å
60L48.7Very low46.1Very low132 Ų132133.2 Ų133.269%0.69180%0.8SS**  trans-85.7122.8156.4-86.6157.8000107M58 A62M58-L60 HydrophobicContact CE-CD1 4.01Å; M58-L60 HydrophobicContact CE-CG 4.36Å; M58-L60 PolarHBondContact O-N 2.99Å; L60-A62 PolarHBondContact O-N 2.92Å
61P42.1Very low45.4Very low129 Ų129136 Ų13684%0.83881%0.81SS**  trans-71.3113.5169.925.1-23000108
62A46Very low45.2Very low92 Ų92135.8 Ų135.876%0.7681%0.811SS**  trans-105.7111.2167.800000108.5L60L60-A62 PolarHBondContact O-N 2.92Å
63E41.9Very low45Very low203 Ų203133.1 Ų133.195%0.94980%0.795SS**  -175.1137126.2-110.9-175.614300110.7
64G34.5Very low45.5Very low79 Ų79131.9 Ų131.981%0.81479%0.789SS**  trans129.287.5164.300000115
65S42.6Very low45.6Very low130 Ų130132.2 Ų132.291%0.90978%0.783SS**  trans-45.7134.1170.654.40000115.2
66G36.4Very low46.5Very low74 Ų74125.5 Ų125.576%0.76376%0.761SS**  trans153.9100.7163.600000113.4V68G66-V68 PolarHBondContact O-N 3.26Å
67Q44.8Very low47.4Very low192 Ų192123.6 Ų123.690%0.89774%0.742SS**  trans-36.5128.1165.1-173.2178.29.200113.2
68V37.9Very low48.3Very low137 Ų137122.9 Ų122.983%0.8373%0.726SS**  trans155.5123.2138.5165.20000110.7G66G66-V68 PolarHBondContact O-N 3.26Å
69G37.3Very low49.3Very low63 Ų63120.7 Ų120.765%0.64972%0.718SS**  trans89.5109.1139.300000118.6L71G69-L71 PolarHBondContact O-N 3.32Å; G69-L71 VanDerWaalsContact O-N 3.09Å
70L47.9Very low50.1Low185 Ų185115 Ų11597%0.96970%0.701SS**  trans-49.7107.9156-73.2155.5000110.8
71L46.3Very low50.5Low162 Ų162117.4 Ų117.485%0.84870%0.701SS**  trans-126.9116.6157.5-75.4169.7000108G69G69-L71 PolarHBondContact O-N 3.32Å; G69-L71 VanDerWaalsContact O-N 3.09Å
72C49.3Very low51.4Low107 Ų107115 Ų11572%0.72369%0.685SS**PPolyproline II helixtrans-55.5130.3172-164.20000108.5S74C72-S74 PolarHBondContact O-N 3.5Å
73P50.4Low52.3Low71 Ų71114.8 Ų114.846%0.46168%0.677SS.*PPolyproline II helixtrans-58.7129.8173.821.9-29.7000108.4D77P73-D77 HydrophobicContact CB-CB 4.2Å
74S62.5Low53.2Low75 Ų75110.4 Ų110.452%0.52466%0.657SS.*PPolyproline II helixtrans-60153.5-178.7176.90000109.4C72 G76 D77 K78C72-S74 PolarHBondContact O-N 3.5Å; S74-G76 PolarHBondContact O-N 3.3Å; S74-D77 PolarHBondContact N-OD2 2.96Å; S74-D77 PolarHBondContact O-N 2.83Å; S74-K78 PolarHBondContact O-N 2.98Å
75L59.3Low54.1Low130 Ų130113.5 Ų113.568%0.68165%0.648SS**Hα-helixtrans-53.7-27.8176.5-174.565.6000112L79L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 WeakPolarHBondContact O-CD1 3.37Å; L75-L79 VanDerWaalsContact O-CG 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.34Å; L75-L79 VanDerWaalsContact O-N 3.11Å
76G66.8Low54.6Low41 Ų41112.8 Ų112.842%0.42363%0.633SS.*Hα-helixtrans-63.6-44.9173.200000113.3S74 K78 L79 E80S74-G76 PolarHBondContact O-N 3.3Å; G76-K78 VanDerWaalsContact C-N 3.34Å; G76-K78 PolarHBondContact O-N 3.27Å; G76-L79 PolarHBondContact O-N 3.4Å; G76-E80 PolarHBondContact O-N 3.29Å
77D69.1Low55.3Low67 Ų67110.6 Ų110.636%0.35861%0.611SS.*Hα-helixtrans-66.6-41.7179-48.5-32.2000109.6P73 S74 L79 E80 W81P73-D77 HydrophobicContact CB-CB 4.2Å; S74-D77 PolarHBondContact N-OD2 2.96Å; S74-D77 PolarHBondContact O-N 2.83Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.24Å; D77-E80 PolarHBondContact O-N 2.83Å; D77-E80 VanDerWaalsContact O-N 3.15Å; D77-W81 PolarHBondContact O-N 3.34Å
78K63.4Low55.5Low108 Ų108107.2 Ų107.247%0.4760%0.595SS.*Hα-helixtrans-59.4-36.3175.2-68.3-175.2-179.4-178.40112.5S74 G76 V82S74-K78 PolarHBondContact O-N 2.98Å; G76-K78 VanDerWaalsContact C-N 3.34Å; G76-K78 PolarHBondContact O-N 3.27Å; K78-V82 WeakPolarHBondContact O-CB 3.49Å; K78-V82 WeakPolarHBondContact O-CG2 3.38Å; K78-V82 PolarHBondContact O-N 2.93Å; K78-V82 VanDerWaalsContact O-N 3.16Å
79L64.3Low55.9Low109 Ų109106 Ų10657%0.57158%0.584SS**Hα-helixtrans-74.6-34.5176.7-73.8164.8000112.2L75 G76 D77 V82 S83L75-L79 HydrophobicContact CG-CD1 4.34Å; L75-L79 WeakPolarHBondContact O-CD1 3.37Å; L75-L79 VanDerWaalsContact O-CG 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.34Å; L75-L79 VanDerWaalsContact O-N 3.11Å; G76-L79 PolarHBondContact O-N 3.4Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.24Å; L79-V82 PolarHBondContact O-N 2.93Å; L79-S83 VanDerWaalsContact O-CB 3.28Å; L79-S83 WeakPolarHBondContact O-CB 3.38Å; L79-S83 PolarHBondContact O-N 3.46Å
80E61.6Low56.6Low129 Ų129105.6 Ų105.660%0.60357%0.567SS**Hα-helixtrans-63.8-47.2173.7-173.5170.9-158.600111.3G76 D77 V82 S83 Q84G76-E80 PolarHBondContact O-N 3.29Å; D77-E80 PolarHBondContact O-N 2.83Å; D77-E80 VanDerWaalsContact O-N 3.15Å; E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 PolarHBondContact O-N 3.09Å; E80-S83 PolarHBondContact O-N 3.49Å; E80-Q84 WeakPolarHBondContact O-CB 3.35Å; E80-Q84 PolarHBondContact O-N 2.96Å
81W55.6Low56.8Low182 Ų182103.3 Ų103.369%0.68955%0.551SS**Hα-helixtrans-60.5-40.5175.1-76.2106.4000112.8D77 F85D77-W81 PolarHBondContact O-N 3.34Å; W81-F85 WeakPolarHBondContact O-CB 3.47Å; W81-F85 PolarHBondContact O-N 2.93Å; W81-F85 VanDerWaalsContact O-N 3.1Å
82V61.7Low56.8Low80 Ų80102.1 Ų102.149%0.48554%0.541SS..Hα-helixtrans-69.3-37176.6170.40000111.5K78 L79 E80 L86K78-V82 WeakPolarHBondContact O-CB 3.49Å; K78-V82 WeakPolarHBondContact O-CG2 3.38Å; K78-V82 PolarHBondContact O-N 2.93Å; K78-V82 VanDerWaalsContact O-N 3.16Å; L79-V82 PolarHBondContact O-N 2.93Å; E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 PolarHBondContact O-N 3.09Å; V82-L86 HydrophobicContact CG1-CD1 3.67Å; V82-L86 HydrophobicContact CG1-CG 4.44Å; V82-L86 WeakPolarHBondContact O-CB 3.45Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.35Å
83S64.4Low56.7Low87 Ų87101.4 Ų101.461%0.60853%0.53SS*.Hα-helixtrans-72.3-31.4178.3-158.70000112.7L79 E80 G87L79-S83 VanDerWaalsContact O-CB 3.28Å; L79-S83 WeakPolarHBondContact O-CB 3.38Å; L79-S83 PolarHBondContact O-N 3.46Å; E80-S83 PolarHBondContact O-N 3.49Å; S83-G87 PolarHBondContact O-N 3.19Å; S83-G87 VanDerWaalsContact O-N 3.16Å
84Q60.6Low57.1Low110 Ų110101.8 Ų101.851%0.51453%0.526SS..Hα-helixtrans-75-38.6175.7-168.4158.629.400112.1E80 Q88E80-Q84 WeakPolarHBondContact O-CB 3.35Å; E80-Q84 PolarHBondContact O-N 2.96Å; Q84-Q88 PolarHBondContact O-N 3Å
85F53.5Low57Low144 Ų144104.2 Ų104.263%0.63253%0.529SS*.Hα-helixtrans-70.5-42.9177.2-166.3-101.5000112.4W81 G87W81-F85 WeakPolarHBondContact O-CB 3.47Å; W81-F85 PolarHBondContact O-N 2.93Å; W81-F85 VanDerWaalsContact O-N 3.1Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å
86L53.4Low57Low115 Ų115104.1 Ų104.160%0.60253%0.525SS*.Hα-helixtrans-77.1-13.7176.8-67.1170.9000113.8V82V82-L86 HydrophobicContact CG1-CD1 3.67Å; V82-L86 HydrophobicContact CG1-CG 4.44Å; V82-L86 WeakPolarHBondContact O-CB 3.45Å; V82-L86 WeakPolarHBondContact O-CG 3.36Å; V82-L86 PolarHBondContact O-N 3.35Å
87G51.6Low56.7Low29 Ų29107.9 Ų107.930%0.29953%0.532SS..Hα-helixtrans-87.5-34.4179.200000113.9S83 F85S83-G87 PolarHBondContact O-N 3.19Å; S83-G87 VanDerWaalsContact O-N 3.16Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å
88Q48.7Very low56.2Low121 Ų121110.7 Ų110.757%0.56554%0.543SS*.Hα-helixtrans-73.2-35.1-172.2-92.7179.4-11.400114.4Q84 D90 E91 H92Q84-Q88 PolarHBondContact O-N 3Å; Q88-D90 VanDerWaalsContact C-N 3.31Å; Q88-D90 PolarHBondContact O-N 3.35Å; Q88-E91 PolarHBondContact O-N 3.3Å; Q88-H92 PolarHBondContact O-N 2.97Å
89D45.5Very low56Low110 Ų110112 Ų11259%0.58855%0.55SS**Hα-helixtrans-69.3-28.6-175.4-68.7-39.6000112.9
90D52.4Low55.6Low56 Ų56114.6 Ų114.630%0.29956%0.56SS.*Hα-helixtrans-84.6-25.1-178.6-84.9-35.3000113.4Q88 Q94 K456Q88-D90 VanDerWaalsContact C-N 3.31Å; Q88-D90 PolarHBondContact O-N 3.35Å; D90-Q94 WeakPolarHBondContact O-CB 3.49Å; D90-Q94 WeakPolarHBondContact O-CG 3.39Å; D90-Q94 PolarHBondContact O-N 2.93Å; D90-Q94 VanDerWaalsContact O-N 3.08Å; D90-Q94 PolarHBondContact O-NE2 2.9Å; D90-K456 IonicContact OD2-NZ 3.92Å
91E53.2Low55.3Low136 Ų136115.2 Ų115.264%0.63656%0.563SS**Hα-helixtrans-77-39.7177.8-69.8-167.1103.300111.5Q88 N93 Q94 Q95Q88-E91 PolarHBondContact O-N 3.3Å; E91-N93 VanDerWaalsContact C-N 3.31Å; E91-N93 PolarHBondContact O-N 3.38Å; E91-Q94 PolarHBondContact O-N 3.1Å; E91-Q95 WeakPolarHBondContact O-CB 3.38Å; E91-Q95 PolarHBondContact O-N 3.48Å
92H44.6Very low54.9Low137 Ų137113.3 Ų113.363%0.63456%0.561SS**Hα-helixtrans-63-39.8175.7-154.875.5000111.4Q88 Q96Q88-H92 PolarHBondContact O-N 2.97Å; H92-Q96 WeakPolarHBondContact O-CB 3.49Å; H92-Q96 PolarHBondContact O-N 2.89Å; H92-Q96 VanDerWaalsContact O-N 3.1Å
93N49Very low53.8Low93 Ų93117.5 Ų117.550%0.49758%0.575SS.*Hα-helixtrans-73.7-36.2178.3-155-8.8000112.4E91 Q97E91-N93 VanDerWaalsContact C-N 3.31Å; E91-N93 PolarHBondContact O-N 3.38Å; N93-Q97 WeakPolarHBondContact O-CB 3.48Å; N93-Q97 PolarHBondContact O-N 3.44Å
94Q57.9Low52.9Low79 Ų79117.5 Ų117.537%0.36958%0.58SS.*Hα-helixtrans-68.3-39172.3-87.1-177.2102.500113.1D90 E91 Q96 Q97 Q98D90-Q94 WeakPolarHBondContact O-CB 3.49Å; D90-Q94 WeakPolarHBondContact O-CG 3.39Å; D90-Q94 PolarHBondContact O-N 2.93Å; D90-Q94 VanDerWaalsContact O-N 3.08Å; D90-Q94 PolarHBondContact O-NE2 2.9Å; E91-Q94 PolarHBondContact O-N 3.1Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q97 PolarHBondContact O-N 2.88Å; Q94-Q98 VanDerWaalsContact O-CB 3.3Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 3.46Å
95Q60Low51.8Low126 Ų126120.7 Ų120.759%0.58960%0.595SS**Hα-helixtrans-68.3-36178.6-165.31614500111.5E91 Q98 Q99E91-Q95 WeakPolarHBondContact O-CB 3.38Å; E91-Q95 PolarHBondContact O-N 3.48Å; Q95-Q98 PolarHBondContact O-N 3.41Å; Q95-Q99 PolarHBondContact O-N 2.97Å; Q95-Q99 VanDerWaalsContact O-N 3.15Å
96Q60.6Low51.2Low128 Ų128121.9 Ų121.960%0.59860%0.603SS**Hα-helixtrans-67.7-40173.7-164.6169.864.500112.2H92 Q94 Q100H92-Q96 WeakPolarHBondContact O-CB 3.49Å; H92-Q96 PolarHBondContact O-N 2.89Å; H92-Q96 VanDerWaalsContact O-N 3.1Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q96-Q100 PolarHBondContact O-N 3.09Å
97Q59.2Low50Low120 Ų120124.3 Ų124.356%0.56162%0.616SS**Hα-helixtrans-72.2-27.8177.4-165.4168.589.300113.2N93 Q94N93-Q97 WeakPolarHBondContact O-CB 3.48Å; N93-Q97 PolarHBondContact O-N 3.44Å; Q94-Q97 PolarHBondContact O-N 2.88Å
98Q59.4Low49.7Very low126 Ų126127.5 Ų127.559%0.58963%0.631SS**Hα-helixtrans-81.3-28.7178.9-154.7170.690.400112.8Q94 Q95Q94-Q98 VanDerWaalsContact O-CB 3.3Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 3.46Å; Q95-Q98 PolarHBondContact O-N 3.41Å
99Q58.3Low49Very low134 Ų134131.3 Ų131.363%0.62664%0.642SS**Hα-helixtrans-69.4-33.8171.5-78.2179.747.700112.5Q95 Q101 Q102Q95-Q99 PolarHBondContact O-N 2.97Å; Q95-Q99 VanDerWaalsContact O-N 3.15Å; Q99-Q101 VanDerWaalsContact C-N 3.3Å; Q99-Q101 PolarHBondContact O-N 2.81Å; Q99-Q102 PolarHBondContact O-N 2.89Å
100Q56.4Low48.3Very low165 Ų165136 Ų13677%0.77166%0.657SS**Hα-helixtrans-71.1-24.2-180-159.9165.787.500113.3Q96Q96-Q100 PolarHBondContact O-N 3.09Å
101Q54.5Low47.4Very low142 Ų142141.5 Ų141.566%0.66469%0.685SS**Hα-helixtrans-82.6-25.3175.9-88.1169.564.800113.9Q99Q99-Q101 VanDerWaalsContact C-N 3.3Å; Q99-Q101 PolarHBondContact O-N 2.81Å
102Q47.9Very low46.2Very low141 Ų141138.7 Ų138.766%0.65969%0.686SS**Hα-helixtrans-79.2-23.8-178.9-69.3-17850.300113.2Q99 A104Q99-Q102 PolarHBondContact O-N 2.89Å; Q102-A104 VanDerWaalsContact C-N 3.27Å; Q102-A104 PolarHBondContact O-N 3.46Å
103H39.2Very low45.6Very low168 Ų168138.9 Ų138.978%0.77870%0.697SS**THydrogen-bonded Turntrans-77.7-8.7-178.6-157.344.3000114.3
104A44Very low44.7Very low87 Ų87139.8 Ų139.872%0.71971%0.71SS**THydrogen-bonded Turntrans-89.8-4.3-176.800000114.8Q102Q102-A104 VanDerWaalsContact C-N 3.27Å; Q102-A104 PolarHBondContact O-N 3.46Å
105Q39.2Very low44.2Very low177 Ų177139.3 Ų139.383%0.82773%0.726SS**SBendtrans-115.4-6.3-171.5-80.2-172.8-200116.8
106E39.1Very low43.5Very low169 Ų169141.1 Ų141.179%0.7974%0.74SS**  trans-124.9101.3171-70-146151.100111.3
107L29.3Very low42.6Very low167 Ų167140.8 Ų140.887%0.87475%0.752SS**  175.2132.9121.5-89.6175.5000111.8
108P44.9Very low41.8Very low95 Ų95144.9 Ų144.962%0.61777%0.768SS**  trans-94.3135171.334.4-27.4000112.6
109Y33.3Very low41.2Very low202 Ų202142.5 Ų142.579%0.79278%0.777SS**  trans14.7124.3160.361.8-91.2000121
110K31.6Very low40.9Very low208 Ų208141.2 Ų141.290%0.90478%0.775SS**  -171.5150.9119.5-98.7-151.9-178.2-170.40112.6
111L33.2Very low40.8Very low171 Ų171138.8 Ų138.890%0.89577%0.766SS**  trans-90139.2-164.1-176.369.8000113.4
112A29Very low40.4Very low78 Ų78136.9 Ų136.965%0.64577%0.768SS**  trans126.3119.913600000117.8
113T31Very low40.4Very low141 Ų141133.6 Ų133.687%0.86576%0.761SS**  trans65123.5150.7-20000116.4
114S31.4Very low41.3Very low111 Ų111131.4 Ų131.478%0.77675%0.754SS**  cis-160140.635.7440000107.6
115G46.2Very low42Very low69 Ų69133.4 Ų133.471%0.71175%0.751SS**  81.3119.9104.900000112.9
116D45Very low42.8Very low165 Ų165131.6 Ų131.688%0.88275%0.746SS**  trans84.283.6169-56.9-20.2000119.2
117S43.2Very low43.4Very low120 Ų120131.2 Ų131.284%0.83974%0.744SS**SBendtrans-168.1-1.6142.3-930000115.5G119S117-G119 VanDerWaalsContact C-N 3.29Å; S117-G119 PolarHBondContact O-N 2.9Å
118F41.4Very low44.5Very low207 Ų207130.3 Ų130.391%0.90874%0.74SS**SBendtrans-91.530.8175.3-82.3-81.6000114.1
119G46.3Very low44.6Very low75 Ų75131.8 Ų131.877%0.77375%0.751SS**SBendtrans-99.1-2-173.700000116.9S117S117-G119 VanDerWaalsContact C-N 3.29Å; S117-G119 PolarHBondContact O-N 2.9Å
120N52.9Low45.7Very low108 Ų108129.7 Ų129.758%0.57875%0.751SS**SBendtrans-142.544.8-169.9-154.3-12.4000115.7S123N120-S123 PolarHBondContact OD1-OG 3.2Å
121L53.6Low46.7Very low113 Ų113131 Ų13159%0.59275%0.75SS**SBendtrans-112.7-10.1164.4-74.8153.4000112.3I125L121-I125 WeakPolarHBondContact O-CG1 3.42Å
122S47.3Very low47.5Very low102 Ų102128.9 Ų128.971%0.71375%0.749SS**THydrogen-bonded Turntrans-80.3-14175.4-53.40000113.7
123S47.8Very low47.8Very low73 Ų73130.9 Ų130.951%0.5176%0.757SS.*THydrogen-bonded Turntrans-86-23175.482.90000113.2N120N120-S123 PolarHBondContact OD1-OG 3.2Å
124I57.5Low48.3Very low121 Ų121134.1 Ų134.162%0.62176%0.76SS**THydrogen-bonded Turntrans-89.1-19.6-177.1-65.8166.9000111.9
125I58.9Low48.9Very low129 Ų129134.7 Ų134.766%0.66276%0.764SS**SBendtrans-95.23.3-172.4-61.8175.4000113.2L121L121-I125 WeakPolarHBondContact O-CG1 3.42Å
126I55Low48.8Very low139 Ų139136.9 Ų136.971%0.71378%0.775SS**SBendtrans-130.539180-38.4-178.3000113.1
127Q53.7Low48.8Very low162 Ų162132.7 Ų132.776%0.75777%0.771SS**SBendtrans-130.60.6174.9-156.3141.4100117.8
128D50.6Low48.8Very low147 Ų147135.9 Ų135.979%0.78677%0.772SS**SBendtrans-130.2-2.5179-66.5-47000115.8
129C48.7Very low48.7Very low127 Ų127135 Ų13586%0.85877%0.771SS**SBendtrans-98.89.8-173.3-80.50000116.1
130M54.5Low48.5Very low157 Ų157139.9 Ų139.977%0.77378%0.778SS**SBendtrans-114.91.6-175.7-78.4-169.759.700117.1
131W54.3Low48.2Very low237 Ų237143.2 Ų143.290%0.89879%0.79SS**  trans-138.428.1-172.3-74.476.5000117
132S48.4Very low47.9Very low125 Ų125149.4 Ų149.487%0.87481%0.806SS**  trans-108.669.9168.9-69.40000112.2
133C35.7Very low47.6Very low120 Ų120151.6 Ų151.681%0.81182%0.815SS**SBendtrans-146.849.2166.3-156.70000111.9
134F41Very low47.3Very low210 Ų210155.4 Ų155.492%0.92183%0.834SS**SBendtrans-170.461.7158.6-130.8-91.1000112.1
135S45.3Very low46.5Very low123 Ų123153 Ų15386%0.8684%0.84SS**SBendtrans-155.513.6166.8-129.20000116.3
136A43.4Very low45.1Very low114 Ų114156.1 Ų156.194%0.94285%0.852SS**SBendtrans-98.624.417600000113.1
137G44.4Very low44.4Very low77 Ų77159.4 Ų159.479%0.79486%0.855SS**SBendtrans-12810.6-171.300000116.6
138Q43.2Very low43.5Very low187 Ų187157.4 Ų157.487%0.87486%0.856SS**SBendtrans-129.512.5-171.4-136.2177.384.100115.9
139Q39.9Very low42.9Very low189 Ų189160.7 Ų160.788%0.88386%0.858SS**SBendtrans-125.349.9179.2-81.8-9327.900112.7
140L42.6Very low42Very low177 Ų177163.5 Ų163.593%0.92786%0.863SS**SBendtrans-140.738.2164-163.461.5000112.9
141E45.8Very low40.7Very low178 Ų178159.2 Ų159.283%0.83286%0.859SS**SBendtrans-146.364.6172.7-159.1-175.4-179.200109.9
142R47.7Very low39.6Very low244 Ų244153.5 Ų153.592%0.92186%0.862SS**SBendtrans-170.946.2167.1-111.1176.5-94.4-169.1-3.2115.2
143V42Very low38.6Very low147 Ų147151.4 Ų151.489%0.89186%0.861SS**SBendtrans-144.763.1156.9-167.50000110.6
144V40Very low38.3Very low153 Ų153149.5 Ų149.593%0.92786%0.861SS**SBendtrans-144.2109.5151.4169.90000106.2
145G41.1Very low37.9Very low71 Ų71147.1 Ų147.173%0.73286%0.858SS**  trans138.880.317500000111.3
146E29.6Very low37.2Very low195 Ų195147.4 Ų147.491%0.91185%0.854SS**  178.9133118.5-95.3-168.9157.900110.7
147R41.5Very low36.7Very low208 Ų208149.3 Ų149.379%0.78585%0.848SS**  trans-121.5140.4163.7179.7157.9-179.193.1-4.7106.7
148P33.1Very low36.3Very low120 Ų120151.1 Ų151.178%0.77985%0.848SS**  trans-122.9147.2139.50.820.6000112.8
149R38Very low36.1Very low216 Ų216147.8 Ų147.882%0.81584%0.843SS**  trans-88.1154.5177.7-61.9178.4169.4-171.4-4110.5
150L30.3Very low35.4Very low186 Ų186148.5 Ų148.597%0.97484%0.838SS**  trans-178.6133.5145.9-90.5158.3000104.3
151G27.8Very low34.6Very low66 Ų66147.4 Ų147.468%0.6883%0.825SS**  cis157.7138.94.400000107.3
152A29.8Very low33.8Very low117 Ų117142.6 Ų142.697%0.96782%0.816SS**  trans66.5139.9172.500000116.9
153G28.9Very low32.9Very low82 Ų82140.2 Ų140.285%0.84582%0.815SS**  cis155.2133.49.300000106
154G28.6Very low32Very low80 Ų80136.4 Ų136.483%0.82581%0.805SS**  trans153.497.1175.600000114.2
155N32.2Very low31.4Very low160 Ų160133.9 Ų133.986%0.85680%0.801SS**  trans-53.8151.9159-78.8-6.9000110.4
156V31.5Very low30.8Very low128 Ų128138.2 Ų138.278%0.77681%0.806SS**  trans174117.81311510000111.3
157L31.8Very low30.8Very low155 Ų155132.3 Ų132.381%0.81279%0.791SS**  trans43.6123.1140.4-60.9156.7000121.3
158S37Very low30Very low115 Ų115130.7 Ų130.780%0.80480%0.798SS**  trans-67.7152.9147.5-49.80000111.4
159P38.6Very low30Very low117 Ų117130.3 Ų130.376%0.7679%0.794SS**  -137.5128.912317.93.2000111.8
160W25.1Very low29.7Very low204 Ų204130.4 Ų130.477%0.77379%0.794SS**  60.4104.496.9178.7-96.2000116.4
161K26.7Very low29.8Very low154 Ų154130.1 Ų130.167%0.6779%0.785SS**  61.8126.5127.4-154.7-177.9-172.4-1760120
162A28.3Very low29.9Very low76 Ų76131.6 Ų131.663%0.62879%0.791SS**  170.6142.1114.600000113.2
163Q29.3Very low29.8Very low194 Ų194130.1 Ų130.191%0.90779%0.787SS**  trans53.6135.8154.2-99.295.333.300119.4
164G23.5Very low29.8Very low67 Ų67129.5 Ų129.569%0.69178%0.781SS**  cis133.1124.811.400000110.4
165A27.7Very low30.4Very low101 Ų101134.2 Ų134.284%0.83579%0.787SS**  trans69.4157.3161.800000116.7
166L28.2Very low30.5Very low161 Ų161131.4 Ų131.484%0.84379%0.786SS**  cis-166.5142.916.5-167.7131.2000110
167A29.7Very low31Very low71 Ų71129.8 Ų129.859%0.58779%0.785SS**  trans46.4123.9151.100000123.7
168D25Very low31.3Very low174 Ų174130.1 Ų130.193%0.9379%0.788SS**  trans-98.8136140.4-84.2-37.5000109.8
169T32.3Very low32Very low113 Ų113130.8 Ų130.869%0.69379%0.791SS**  trans-127.7127.8173.8-49.30000110.9
170W32.1Very low32.7Very low218 Ų218131.3 Ų131.383%0.82679%0.792SS**  trans86.2112.5147.1-92.26.3000124.9
171F30.9Very low34.2Very low179 Ų179126.5 Ų126.579%0.78578%0.782SS**  68.4120.9126.2-85.2-120.1000121
172A30.1Very low35.4Very low97 Ų97124.5 Ų124.580%0.80278%0.784SS**  176.7134.510300000114
173G29Very low36.6Very low86 Ų86124.2 Ų124.289%0.88778%0.782SS**  trans70.1138.2149.300000118.1
174G29.3Very low37.8Very low70 Ų70118.8 Ų118.872%0.72277%0.77SS**  cis157.4131.59.700000108.2
175L41.3Very low39Very low179 Ų179121 Ų12194%0.93777%0.77SS**  trans69.7104.6155.2-61.6167.1000119.6
176A32.8Very low39.8Very low101 Ų101122.9 Ų122.984%0.83577%0.765SS**PPolyproline II helixtrans-63136.715800000111
177A41.5Very low40.4Very low93 Ų93121.2 Ų121.277%0.76976%0.762SS**PPolyproline II helixtrans-84.8125163.600000108.6C179A177-C179 PolarHBondContact O-N 3.12Å
178D39.8Very low40.9Very low162 Ų162126.5 Ų126.587%0.86677%0.772SS**PPolyproline II helixtrans-58.5122.1173.3-90-41.5000111.2
179C50.2Low41.7Very low129 Ų129124 Ų12487%0.87277%0.765SS**PPolyproline II helixtrans-82.1116.9169.1-63.80000109.2A177A177-C179 PolarHBondContact O-N 3.12Å
180V53.4Low41.8Very low128 Ų128126.5 Ų126.578%0.77677%0.773SS**PPolyproline II helixtrans-83.3129.2170.7176.80000109.2
181D56.3Low42.6Very low104 Ų104122.2 Ų122.256%0.55677%0.774SS**PPolyproline II helixtrans-71.8120.2175178.67.8000110.9A183 A184D181-A183 PolarHBondContact O-N 3.25Å; D181-A183 VanDerWaalsContact O-N 3.16Å; D181-A183 WeakPolarHBondContact OD1-CB 3.49Å; D181-A183 PolarHBondContact OD1-N 3.05Å; D181-A184 PolarHBondContact O-N 3.38Å
182P52.4Low42.8Very low111 Ų111117.5 Ų117.572%0.72178%0.776SS**G310 helixtrans-66.5-10.6178.826.6-33.5000114.1A184P182-A184 PolarHBondContact O-N 2.96Å
183A53.3Low43Very low71 Ų71116.3 Ų116.359%0.58777%0.773SS**G310 helixtrans-71.9-13.1174.700000113.8D181 V185D181-A183 PolarHBondContact O-N 3.25Å; D181-A183 VanDerWaalsContact O-N 3.16Å; D181-A183 WeakPolarHBondContact OD1-CB 3.49Å; D181-A183 PolarHBondContact OD1-N 3.05Å; A183-V185 VanDerWaalsContact C-N 3.26Å; A183-V185 PolarHBondContact O-N 3.38Å
184A54.3Low43.2Very low79 Ų79118.9 Ų118.965%0.65378%0.776SS**G310 helixtrans-78.5-1.517900000114.6D181 P182D181-A184 PolarHBondContact O-N 3.38Å; P182-A184 PolarHBondContact O-N 2.96Å
185V48.9Very low43.8Very low114 Ų114124.8 Ų124.869%0.69178%0.782SS**G310 helixtrans-99-2.7-176-175.40000113.1A183A183-V185 VanDerWaalsContact C-N 3.26Å; A183-V185 PolarHBondContact O-N 3.38Å
186L44.7Very low43.6Very low140 Ų140128.1 Ų128.173%0.73378%0.782SS**  trans-111.171.7179.9-61.5179.1000112
187T40.2Very low44Very low127 Ų127132.7 Ų132.778%0.77978%0.783SS**  trans-88.4103.2161.542.10000110.2
188F40.9Very low43.5Very low182 Ų182135.2 Ų135.280%0.79879%0.788SS**  trans-117.5123.7154.4-75.9-77.7000108.7
189P41.5Very low43.4Very low121 Ų121132.4 Ų132.479%0.78678%0.782SS**  trans-87.8130.1178.630.8-27.6000111.3
190L35.8Very low42.7Very low165 Ų165132 Ų13286%0.86478%0.78SS**  trans-123.4135.9155.6-83.9102.7000110.1
191P47.5Very low41.8Very low128 Ų128129.5 Ų129.583%0.83178%0.78SS**  trans-95.8150.5-169.836.6-32.9000114
192G34.6Very low40.9Very low81 Ų81129.2 Ų129.284%0.83579%0.787SS**  trans90.3121.7162.600000113.3
193G34.3Very low40.6Very low72 Ų72131.5 Ų131.574%0.74279%0.788SS**  cis115.3111.226.500000108
194C33Very low39.8Very low140 Ų140134.1 Ų134.195%0.94680%0.801SS**  trans167.3149.9138.8-86.70000112.6
195K43.5Very low39.4Very low194 Ų194138.7 Ų138.784%0.84381%0.809SS**  trans-79.8146.5-166.9-52.3179.4176.5178.50112.6
196R37.3Very low39.2Very low248 Ų248139.6 Ų139.694%0.93682%0.815SS**  178.9142.5123.5-104.9174-68.3146.1-1.5113
197K40.6Very low39.6Very low198 Ų198140 Ų14086%0.86182%0.818SS**  trans-85.2146.1161.1-66178.5174.6-176.20108.9
198V30.8Very low39.8Very low145 Ų145139.5 Ų139.588%0.87982%0.82SS**  trans165.8144.2131152.20000110.4
199S37.5Very low40.2Very low104 Ų104135.6 Ų135.673%0.72782%0.815SS**  trans-70.6170.6-173.9-50.90000117.6
200S34.9Very low40.9Very low119 Ų119136.7 Ų136.783%0.83281%0.814SS**  trans96.1125136-77.70000120.6
201G34.3Very low41.6Very low76 Ų76135.3 Ų135.378%0.78481%0.807SS**  trans64.9141142.200000116.4
202S37.6Very low42.4Very low99 Ų99137.6 Ų137.669%0.69281%0.807SS**  cis-172.1169.121.8-117.70000108.1
203E46.5Very low43.3Very low159 Ų159141.4 Ų141.474%0.74381%0.808SS**  trans-8.4145.6161.466.4-135.295.600121.8
204S36.4Very low44.4Very low125 Ų125147.5 Ų147.587%0.87482%0.817SS**  174.3154.9114.3-82.90000112.8
205H45.8Very low45.1Very low176 Ų176147 Ų14782%0.81581%0.805SS**  trans-113.4146.5-162.2-152.2-83000109.7
206T44.4Very low45.5Very low133 Ų133144.3 Ų144.382%0.81680%0.8SS**  trans172.1110156.339.30000106.3
207D54.3Low46.3Very low148 Ų148139.3 Ų139.379%0.79179%0.792SS**  43.1105.975.5-16435.2000114.5
208S44.6Very low46.9Very low117 Ų117136.7 Ų136.782%0.81879%0.787SS**  trans-165110.1155.6-162.80000109.5
209S49.2Very low47.8Very low99 Ų99139 Ų13969%0.69279%0.789SS**  trans-77.7140.4160.6-170.20000108.7
210D56.1Low48.4Very low145 Ų145143.6 Ų143.678%0.77580%0.799SS**  trans-153.3115.2159.8-152.423000109.2
211D50Low49.5Very low135 Ų135147 Ų14772%0.72280%0.802SS**  trans-96.8126.1170.5-78.4-63.5000106.5
212E64Low50.6Low176 Ų176150.8 Ų150.882%0.82280%0.802SS**  trans-144114.7155.3-71.3-61.217300108.9
213D53.7Low51.7Low162 Ų162152.8 Ų152.887%0.86681%0.805SS**  trans-76124163.8-75.3-58.7000108.4
214E57.5Low51.6Low199 Ų199150.9 Ų150.993%0.9380%0.804SS**  trans-134.9121.7158.6-117.5177.8-172.400111.2
215N48.9Very low52Low129 Ų129150 Ų15069%0.6979%0.793SS**  trans-73.1132174.116994.7000110
216D51.9Low52.3Low139 Ų139147 Ų14774%0.74379%0.788SS**  trans-152.9131.5137.6-120.7-14.7000113.4
217D54.1Low52.3Low142 Ų142146.2 Ų146.276%0.75978%0.782SS**  trans-81.3112.2170.2-93-61.7000107.7
218D52.9Low51.6Low143 Ų143146.7 Ų146.777%0.76579%0.785SS**  trans-118.6113.8169.6-54.9-21.6000110.7
219E48.6Very low51.8Low195 Ų195149.7 Ų149.791%0.91179%0.785SS**  trans-67.8118.1172.6-57.7173.813000110.7E221E219-E221 PolarHBondContact O-N 3.09Å; E219-E221 VanDerWaalsContact O-N 3.17Å
220E50.8Low51.1Low199 Ų199151.5 Ų151.593%0.9379%0.788SS**  trans-76.5101.1166.9-93.4-176.616100110.4
221E58Low50.1Low191 Ų191152 Ų15289%0.89379%0.785SS**  trans-67.8126.5168.7-171.9176.4-174.300110.8E219 D223E219-E221 PolarHBondContact O-N 3.09Å; E219-E221 VanDerWaalsContact O-N 3.17Å; E221-D223 PolarHBondContact O-N 3.42Å
222I57.2Low49.4Very low155 Ų155152.7 Ų152.780%0.79578%0.784SS**  trans-80.2116.9178.8-17.4172.6000108.9V224I222-V224 PolarHBondContact O-N 3.07Å; I222-V224 VanDerWaalsContact O-N 3.1Å
223D61Low48.1Very low141 Ų141150.9 Ų150.975%0.75478%0.775SS**  trans-64.9106.1177.7-172.414.3000111.4E221 V225E221-D223 PolarHBondContact O-N 3.42Å; D223-V225 PolarHBondContact O-N 3.38Å; D223-V225 VanDerWaalsContact O-N 3.08Å
224V44Very low47.3Very low119 Ų119150.1 Ų150.172%0.72177%0.767SS**  trans-7987.5174.5-175.20000108.3I222 T226I222-V224 PolarHBondContact O-N 3.07Å; I222-V224 VanDerWaalsContact O-N 3.1Å; V224-T226 PolarHBondContact O-N 2.83Å
225V45.4Very low46.2Very low106 Ų106148.6 Ų148.664%0.64276%0.76SS**  trans-63.8102.1168.4-176.50000108.9D223 V227D223-V225 PolarHBondContact O-N 3.38Å; D223-V225 VanDerWaalsContact O-N 3.08Å; V225-V227 HydrophobicContact CG1-CG1 4.27Å; V225-V227 PolarHBondContact O-N 3.34Å
226T51.4Low45.9Very low115 Ų115151.4 Ų151.471%0.70677%0.768SS**  trans-73.7107.6171.1-57.40000108.1V224V224-T226 PolarHBondContact O-N 2.83Å
227V44.8Very low45.2Very low115 Ų115154.3 Ų154.370%0.69777%0.774SS**  trans-96.3111.2169.1-79.50000110.3V225 H229V225-V227 HydrophobicContact CG1-CG1 4.27Å; V225-V227 PolarHBondContact O-N 3.34Å; V227-H229 PolarHBondContact O-ND1 2.81Å
228D40.4Very low44.6Very low159 Ų159153.6 Ų153.685%0.8578%0.778SS**  trans-63136.9172.6-88.4-39.5000111.8
229H48.3Very low44Very low179 Ų179158.8 Ų158.883%0.82979%0.786SS**  trans-86.2131.7-178.8-71.751.2000111.1V227V227-H229 PolarHBondContact O-ND1 2.81Å
230N34.8Very low43.7Very low138 Ų138160.8 Ų160.874%0.73879%0.785SS**  trans-157.4110.1143.1-136.9-9.8000114.4
231Q34.3Very low43.5Very low155 Ų155158.9 Ų158.972%0.72478%0.781SS**  59.1103.6124.5-172.8169.6114.300119.7
232Q35.4Very low42.8Very low149 Ų149156.2 Ų156.270%0.69678%0.778SS**  176.9146.294.7-120.7171.92800112.4
233Q37Very low42.2Very low138 Ų138153.8 Ų153.865%0.64577%0.77SS**  trans79.9106.2145.5-80.1-179.96600119.9
234Q35.5Very low41.7Very low146 Ų146153.7 Ų153.768%0.68278%0.775SS**  118.2106.4121.2-75.2-176.366.800118.2
235Q35.8Very low42.4Very low168 Ų168157.3 Ų157.379%0.78578%0.775SS**  trans93113.1137.5-55.9-79.8-0.400118.3
236H41.5Very low43.1Very low188 Ų188161.5 Ų161.587%0.8779%0.785SS**  trans-50.5133.4175.2-80.4-101.1000115
237K37.8Very low43.5Very low199 Ų199159.1 Ų159.187%0.86577%0.772SS**  trans-138.3134.4142-84.8-176.9-179.8173.30109.8
238P41Very low44.7Very low128 Ų128157.5 Ų157.583%0.83176%0.762SS**  trans-73.3134-174.127.9-32.4000111.9R240P238-R240 PolarHBondContact O-N 3.46Å
239R42Very low46.1Very low251 Ų251152.7 Ų152.795%0.94774%0.738SS**  trans-57.8116170.6-144.4174.7175.7-175.8-1.6108.2L241R239-L241 PolarHBondContact O-N 3.43Å; R239-L241 VanDerWaalsContact O-N 3.12Å
240R41.7Very low47.1Very low237 Ų237147.9 Ų147.989%0.89472%0.718SS**  trans-64.1112.6-178.7-152.3179.5-173.5-175.52.5108.5P238 V242P238-R240 PolarHBondContact O-N 3.46Å; R240-V242 PolarHBondContact O-N 2.84Å; R240-V242 VanDerWaalsContact O-N 3.15Å
241L45.7Very low48.6Very low159 Ų159145 Ų14583%0.83271%0.706SS**  trans-50.3117.8170.1-164.970.9000108R239 T243R239-L241 PolarHBondContact O-N 3.43Å; R239-L241 VanDerWaalsContact O-N 3.12Å; L241-T243 PolarHBondContact O-N 3.41Å
242V44.5Very low50.1Low136 Ų136141.6 Ų141.682%0.82470%0.695SS**  trans-59.8115.4177.7-161.60000106.2R240 T244R240-V242 PolarHBondContact O-N 2.84Å; R240-V242 VanDerWaalsContact O-N 3.15Å; V242-T244 PolarHBondContact O-N 2.9Å; V242-T244 VanDerWaalsContact O-N 3.08Å
243T44.8Very low51.5Low103 Ų103142.9 Ų142.963%0.63269%0.693SS**  trans-59.7116.2-177.140.20000108.6L241 R245L241-T243 PolarHBondContact O-N 3.41Å; T243-R245 PolarHBondContact O-N 3.48Å
244T48.6Very low52.6Low139 Ų139141.7 Ų141.785%0.85371%0.707SS**  trans-56.2105.3162.341.30000106.7V242V242-T244 PolarHBondContact O-N 2.9Å; V242-T244 VanDerWaalsContact O-N 3.08Å
245R59.5Low53.8Low196 Ų196139.5 Ų139.574%0.7470%0.7SS**PPolyproline II helixtrans-76131.9-174.7-73-172.8170.6-168.9-1.9109.2T243T243-R245 PolarHBondContact O-N 3.48Å
246K59.7Low55Low193 Ų193136 Ų13684%0.83969%0.692SS**PPolyproline II helixtrans-65.5126.9178.5-66.3177.4177.5-179.50109
247P60.8Low56Low66 Ų66135.4 Ų135.443%0.42969%0.689SS.*PPolyproline II helixtrans-62.1141175.626-33.2000110H265P247-H265 HydrophobicContact CB-CB 4.24Å
248V69.2Low57.1Low81 Ų81131.1 Ų131.149%0.49168%0.676SS.*EExtended strand (participates in β ladder)trans-79.6125.9177.1178.30000107.6I250 I266V248-I250 HydrophobicContact CG1-CG1 4.44Å; V248-I266 PolarHBondContact N-O 3.42Å; V248-I266 VanDerWaalsContact N-O 3.17Å; V248-I266 PolarHBondContact O-N 2.89Å
249T69.8Low58Low58 Ų58131.1 Ų131.136%0.35668%0.675SS.*EExtended strand (participates in β ladder)trans-97.9119.3-179.9-42.90000108.7R263 F264 H265T249-R263 HydrophobicContact CG2-CB 3.85Å; T249-R263 HydrophobicContact CG2-CG 4.14Å; T249-F264 CarbonylContact C-O 3.52Å; T249-F264 WeakPolarHBondContact CA-O 3.44Å; T249-H265 WeakPolarHBondContact CG2-CE1 3.31Å; T249-H265 WeakPolarHBondContact CG2-ND1 3.48Å; T249-H265 PolarHBondContact OG1-CE1 3.02Å; T249-H265 PolarHBondContact OG1-ND1 3.23Å
250I69.4Low58.8Low77 Ų77121.4 Ų121.440%0.39565%0.653SS.*EExtended strand (participates in β ladder)trans-104.1125.7173.5-51-169.9000107.9V248 V252 F264 I266V248-I250 HydrophobicContact CG1-CG1 4.44Å; I250-V252 HydrophobicContact CG2-CG2 4.1Å; I250-F264 PolarHBondContact N-O 3.26Å; I250-F264 PolarHBondContact O-N 3.42Å; I250-I266 HydrophobicContact CB-CD1 4.46Å; I250-I266 HydrophobicContact CD1-CD1 3.47Å; I250-I266 VanDerWaalsContact CD1-CD1 3.47Å; I250-I266 HydrophobicContact CD1-CG1 4.43Å; I250-I266 HydrophobicContact CG1-CD1 3.89Å; I250-I266 HydrophobicContact CG1-CG1 4.39Å
251T66Low60Low79 Ų79113.6 Ų113.649%0.48563%0.632SS.*EExtended strand (participates in β ladder)trans-99116.4176.8-23.40000107.8R263T251-R263 HydrophobicContact CG2-CG 3.44Å; T251-R263 VanDerWaalsContact CG2-CG 3.44Å
252V67.1Low61.1Low82 Ų82113.3 Ų113.350%0.49762%0.624SS.*EExtended strand (participates in β ladder)trans-110.4133.9178.7-175.30000108.5I250 K262I250-V252 HydrophobicContact CG2-CG2 4.1Å; V252-K262 PolarHBondContact N-O 3.14Å; V252-K262 VanDerWaalsContact N-O 3.14Å
253R63.9Low62.2Low177 Ų177114.3 Ų114.367%0.66861%0.613SS**  trans-122.8122.8177.736.8-164.8-82-1221.2107.2
254A61.2Low63.4Low113 Ų113114.9 Ų114.993%0.93461%0.607SS**SBendtrans-84.5-22-175.800000112.5
255D60.6Low64.6Low100 Ų100114.1 Ų114.154%0.53559%0.594SS.*  trans-151.2143.2-176.7-159.5-6.8000110.7H257D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 2.89Å
256P61.3Low64.9Low95 Ų95108.6 Ų108.662%0.61758%0.578SS**THydrogen-bonded Turntrans-68.7-12.2-178.8-25.537.6000116.9
257H60.8Low65Low174 Ų174103.5 Ų103.581%0.80657%0.567SS**THydrogen-bonded Turntrans-113.13.8-173.2-64.286.4000115.6D255D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 2.89Å
258D61.2Low65Low110 Ų110106 Ų10659%0.58858%0.575SS**  trans-97.7125.1175.1-177.619.4000111G260D258-G260 PolarHBondContact O-N 3.49Å; D258-G260 PolarHBondContact OD1-N 3.38Å
259P59.9Low64.7Low127 Ų127110.5 Ų110.583%0.82559%0.591SS**  trans-70.8-6.2-179.824.9-32.3000114.7T261P259-T261 PolarHBondContact O-N 3.06Å
260G59.7Low64.3Low47 Ų47114.4 Ų114.449%0.48561%0.605SS.*  trans-84.384.2-17700000115.3D258 K262D258-G260 PolarHBondContact O-N 3.49Å; D258-G260 PolarHBondContact OD1-N 3.38Å; G260-K262 PolarHBondContact O-N 3.32Å
261T66.4Low63.6Low74 Ų74118.6 Ų118.645%0.45462%0.623SS.*PPolyproline II helixtrans-77120.8171.658.90000112P259P259-T261 PolarHBondContact O-N 3.06Å
262K68.7Low63.1Low152 Ų152121.6 Ų121.666%0.66163%0.631SS**EExtended strand (participates in β ladder)trans-93.8123.3173.4-69.9-173.9179.8-179.30110.2V252 G260 F264V252-K262 PolarHBondContact N-O 3.14Å; V252-K262 VanDerWaalsContact N-O 3.14Å; G260-K262 PolarHBondContact O-N 3.32Å; K262-F264 HydrophobicContact CB-CE2 3.86Å; K262-F264 HydrophobicContact CB-CZ 4.04Å
263R66.8Low62.1Low158 Ų158123.7 Ų123.760%0.59664%0.636SS**EExtended strand (participates in β ladder)trans-101.5129.8178-76.6-169.8-61.4-89.63110.2T249 T251T249-R263 HydrophobicContact CG2-CB 3.85Å; T249-R263 HydrophobicContact CG2-CG 4.14Å; T251-R263 HydrophobicContact CG2-CG 3.44Å; T251-R263 VanDerWaalsContact CG2-CG 3.44Å
264F70.4Confident61.9Low114 Ų114121.5 Ų121.550%0.564%0.637SS.*EExtended strand (participates in β ladder)trans-116.4128.9176.5-59.8-84.4000109.4T249 I250 K262T249-F264 CarbonylContact C-O 3.52Å; T249-F264 WeakPolarHBondContact CA-O 3.44Å; I250-F264 PolarHBondContact N-O 3.26Å; I250-F264 PolarHBondContact O-N 3.42Å; K262-F264 HydrophobicContact CB-CE2 3.86Å; K262-F264 HydrophobicContact CB-CZ 4.04Å
265H73.3Confident61.4Low123 Ų123126.3 Ų126.357%0.56963%0.633SS**EExtended strand (participates in β ladder)trans-96.5117.5175.6-64.2-75.9000108.6P247 T249P247-H265 HydrophobicContact CB-CB 4.24Å; T249-H265 WeakPolarHBondContact CG2-CE1 3.31Å; T249-H265 WeakPolarHBondContact CG2-ND1 3.48Å; T249-H265 PolarHBondContact OG1-CE1 3.02Å; T249-H265 PolarHBondContact OG1-ND1 3.23Å
266I66.4Low61Low80 Ų80125.6 Ų125.641%0.4164%0.64SS.*EExtended strand (participates in β ladder)trans-118125.9-178.6-18.9175.5000109.2V248 I250 I268V248-I266 PolarHBondContact N-O 3.42Å; V248-I266 VanDerWaalsContact N-O 3.17Å; V248-I266 PolarHBondContact O-N 2.89Å; I250-I266 HydrophobicContact CB-CD1 4.46Å; I250-I266 HydrophobicContact CD1-CD1 3.47Å; I250-I266 VanDerWaalsContact CD1-CD1 3.47Å; I250-I266 HydrophobicContact CD1-CG1 4.43Å; I250-I266 HydrophobicContact CG1-CD1 3.89Å; I250-I266 HydrophobicContact CG1-CG1 4.39Å; I266-I268 PolarHBondContact O-N 3.2Å
267S62.3Low60.7Low87 Ų87124.4 Ų124.461%0.60864%0.639SS**  trans-8999.4173.4-65.30000108.8H269S267-H269 PolarHBondContact O-N 3.43Å
268I60.8Low60.3Low117 Ų117122 Ų12260%0.664%0.638SS**  trans-81.9107.5178.6-54.6179.3000108.9I266 Q270I266-I268 PolarHBondContact O-N 3.2Å; I268-Q270 PolarHBondContact O-N 3.08Å
269H62.1Low59.3Low177 Ų177121.7 Ų121.782%0.81965%0.645SS**  trans-77.793.6167.5-77-87.2000109.2S267 Q271S267-H269 PolarHBondContact O-N 3.43Å; H269-Q271 PolarHBondContact O-N 2.96Å; H269-Q271 VanDerWaalsContact O-N 3.09Å
270Q61.1Low58.9Low140 Ų140121.7 Ų121.765%0.65465%0.645SS**  trans-71.399.4162.5-86.5-179.32100108.3I268 Q272I268-Q270 PolarHBondContact O-N 3.08Å; Q270-Q272 VanDerWaalsContact C-N 3.27Å; Q270-Q272 HydrophobicContact CB-CG 4.39Å; Q270-Q272 PolarHBondContact O-N 3.45Å
271Q55.4Low58.3Low164 Ų164126.4 Ų126.477%0.76666%0.659SS**  trans-62.198.8152.7-93.9176.2-8.700106.8H269 H273H269-Q271 PolarHBondContact O-N 2.96Å; H269-Q271 VanDerWaalsContact O-N 3.09Å; Q271-H273 VanDerWaalsContact C-N 3.32Å; Q271-H273 PolarHBondContact O-N 3.37Å
272Q55.9Low57Low143 Ų143129.3 Ų129.367%0.66868%0.677SS**  trans-71.992172.2-64.8-170.6-31.300107.8Q270 N274Q270-Q272 VanDerWaalsContact C-N 3.27Å; Q270-Q272 HydrophobicContact CB-CG 4.39Å; Q270-Q272 PolarHBondContact O-N 3.45Å; Q272-N274 PolarHBondContact O-N 2.95Å; Q272-N274 VanDerWaalsContact O-N 3.14Å
273H46.4Very low55.7Low126 Ų126129.9 Ų129.958%0.58369%0.686SS**  trans-70.3106.9159.2-71.2-72.2000107.6Q271 Y275Q271-H273 VanDerWaalsContact C-N 3.32Å; Q271-H273 PolarHBondContact O-N 3.37Å; H273-Y275 VanDerWaalsContact C-N 3.29Å; H273-Y275 HydrophobicContact CB-CD2 3.6Å; H273-Y275 HydrophobicContact CB-CE2 3.32Å; H273-Y275 WeakPolarHBondContact O-CD2 3.41Å; H273-Y275 PolarHBondContact O-N 3.49Å
274N58.4Low54.5Low130 Ų130128.4 Ų128.470%0.69570%0.697SS**  trans-78.977.9-178.7-153-19.3000109Q272 A276Q272-N274 PolarHBondContact O-N 2.95Å; Q272-N274 VanDerWaalsContact O-N 3.14Å; N274-A276 PolarHBondContact O-N 3.15Å; N274-A276 VanDerWaalsContact O-N 3.07Å
275Y52.2Low53Low215 Ų215127.7 Ų127.784%0.84371%0.712SS**THydrogen-bonded Turntrans-73.513.9-177.6-82.9-80.2000114.6H273H273-Y275 VanDerWaalsContact C-N 3.29Å; H273-Y275 HydrophobicContact CB-CD2 3.6Å; H273-Y275 HydrophobicContact CB-CE2 3.32Å; H273-Y275 WeakPolarHBondContact O-CD2 3.41Å; H273-Y275 PolarHBondContact O-N 3.49Å
276A52.3Low51.2Low84 Ų84129.5 Ų129.569%0.69473%0.726SS**THydrogen-bonded Turntrans-128.718.1-178.100000114.1N274 P278N274-A276 PolarHBondContact O-N 3.15Å; N274-A276 VanDerWaalsContact O-N 3.07Å; A276-P278 WeakPolarHBondContact O-CD 3.35Å
277A55.2Low50.2Low71 Ų71131.1 Ų131.159%0.58774%0.742SS**PPolyproline II helixtrans-77.1125.3170.800000110
278P51.6Low49Very low123 Ų123135.6 Ų135.680%0.79975%0.753SS**PPolyproline II helixtrans-59.9140.2171.1-19.331.4000111A276A276-P278 WeakPolarHBondContact O-CD 3.35Å
279S39.1Very low47.9Very low103 Ų103135 Ų13572%0.7276%0.757SS**PPolyproline II helixtrans-60.3139.3179.3-53.30000111.8D281S279-D281 VanDerWaalsContact C-N 3.27Å; S279-D281 PolarHBondContact O-N 3.39Å
280P52.4Low46.5Very low127 Ų127131.4 Ų131.483%0.82576%0.758SS**SBendtrans-84.673.2179.236.3-31.2000109.1
281D47Very low45.6Very low146 Ų146136.6 Ų136.678%0.78177%0.772SS**  trans-140.684.1168.2-93.3-35.7000109.4S279S279-D281 VanDerWaalsContact C-N 3.27Å; S279-D281 PolarHBondContact O-N 3.39Å
282T39.9Very low44.9Very low136 Ų136138 Ų13883%0.83478%0.775SS**  trans-150.2103.4151.7-34.40000107.7
283L39.8Very low44Very low164 Ų164140.5 Ų140.586%0.85978%0.784SS**PPolyproline II helixtrans-57.9131.5168.1-66.5168.6000109A285L283-A285 PolarHBondContact O-N 3.4Å
284P43Very low43.4Very low127 Ų127140.8 Ų140.883%0.82579%0.794SS**PPolyproline II helixtrans-77.2119.4171.628.1-27.2000109.4
285A37.8Very low42.2Very low99 Ų99144.1 Ų144.182%0.81880%0.797SS**PPolyproline II helixtrans-74.5135.8159.300000108.9L283L283-A285 PolarHBondContact O-N 3.4Å
286D36Very low41.3Very low161 Ų161141.5 Ų141.586%0.86179%0.792SS**PPolyproline II helixtrans-55.1159.3180-107.5-36.1000114.1
287P45.2Very low40.2Very low114 Ų114141.2 Ų141.274%0.7480%0.797SS**PPolyproline II helixtrans-87.6136.3-162.434.4-34.3000114.1
288E36.5Very low39.3Very low181 Ų181144.4 Ų144.485%0.84681%0.809SS**PPolyproline II helixtrans-98.1138.2161.3-96.6-77.5132.300110.2
289P38.2Very low39.2Very low104 Ų104144.1 Ų144.168%0.67581%0.807SS**PPolyproline II helixtrans-79.5135.1-164.530.1-33.9000113.9R291P289-R291 PolarHBondContact O-N 3.35Å
290A33.5Very low38.9Very low102 Ų102143.5 Ų143.584%0.84381%0.809SS**PPolyproline II helixtrans-65.8118.117800000112.9
291R40.7Very low38.8Very low249 Ų249143.2 Ų143.294%0.9481%0.807SS**PPolyproline II helixtrans-79.8145.4161.1-77.7176.8150-131.9-1.3110.9P289P289-R291 PolarHBondContact O-N 3.35Å
292K41.1Very low38Very low192 Ų192140.6 Ų140.684%0.83581%0.805SS**PPolyproline II helixtrans-70.6140.3-165.8-66.1165.7177.3170.80114.4
293K37.4Very low37.8Very low196 Ų196141.2 Ų141.285%0.85281%0.809SS**  trans70.2140.7135.8-77.1177.9168179.40121
294V33.4Very low37.5Very low132 Ų132142.1 Ų142.180%0.881%0.809SS**  trans125.184138.5-172.70000115
295R33.3Very low37.8Very low200 Ų200140.5 Ų140.576%0.75580%0.798SS**  38.3124.7116.6-160.7171.5-171.5-168.21121.7
296Q34.1Very low37.6Very low161 Ų161145.6 Ų145.675%0.75281%0.805SS**  trans73.7132.2142.6-85.8173.8-22.300122.7
297G29.3Very low37.6Very low77 Ų77148.1 Ų148.179%0.79480%0.802SS**  trans144.698.1133.200000116.3
298V35.2Very low37Very low138 Ų138149.1 Ų149.184%0.83680%0.801SS**  trans-88.6169.7166172.10000108.6
299P49.8Very low36.9Very low118 Ų118145.1 Ų145.177%0.76679%0.793SS**  cis-128.6-177.4-15.825.7-2.3000115.8
300A33.4Very low36.7Very low90 Ų90147.2 Ų147.274%0.74480%0.798SS**  trans-37.1-178.2164.500000118.4
301P49.5Very low36.6Very low121 Ų121149.7 Ų149.779%0.78679%0.792SS**  cis-149.2175.916.241.5-18.6000119.9
302A31.5Very low36.1Very low90 Ų90144.6 Ų144.674%0.74478%0.783SS**  trans57.2120.7142.200000123
303T34.1Very low35.7Very low150 Ų150143.5 Ų143.592%0.9278%0.781SS**  trans-162.3135.8130.8-6.70000111.4
304Q34.9Very low36.1Very low182 Ų182139.8 Ų139.885%0.8578%0.777SS**  trans-90.9-157.7171.9-66.8-163.9-1700111
305P49.8Very low36Very low94 Ų94144.4 Ų144.461%0.6178%0.78SS**  -120.3165.3-91.637-20.3000112.1
306H33.5Very low37Very low206 Ų206140.2 Ų140.295%0.95478%0.779SS**  trans-157.9169.9157.7-94.3-62.6000113.3
307R35.5Very low36.7Very low214 Ų214135.6 Ų135.681%0.80877%0.774SS**  trans-117.4170.3-137.5-133.7-174.4164.2-143.6-2.7112.5
308N32.1Very low36.9Very low134 Ų134141.3 Ų141.372%0.71778%0.78SS**  trans85.6155.8155.3-53.3-22.7000118.1
309S34.2Very low36.8Very low97 Ų97138.9 Ų138.968%0.67878%0.775SS**  cis177.9143.1-31.9-1600000107.8
310L34.1Very low37Very low148 Ų148138.6 Ų138.678%0.77577%0.773SS**  trans80.6138.7149-71.3154.6000125.2
311H32.7Very low37Very low155 Ų155142.6 Ų142.672%0.71878%0.781SS**  trans90.2109.7142.8-97.946.6000121.2
312N29.3Very low36.1Very low142 Ų142143.1 Ų143.176%0.75978%0.777SS**  163.5139.890.5-102.9-13.3000113.9
313Q33.6Very low36.4Very low169 Ų169147 Ų14779%0.7978%0.784SS**  trans-86.6-179.3157.4-80.3-84.637.300109.1
314P45.4Very low36.3Very low117 Ų117146.8 Ų146.876%0.7678%0.778SS**  cis-145.1175.616.336.3-11.9000119.1
315R31.7Very low36.2Very low230 Ų230150.2 Ų150.287%0.86878%0.782SS**  trans-10.4-177.2148.4-111.4-176.8155.8-177.5-4.5121.3
316P53.4Low35.4Very low112 Ų112156.4 Ų156.473%0.72779%0.794SS**  cis-145.7-173.8-15.136.8-14.5000117.4
317G27.9Very low35.2Very low64 Ų64157 Ų15766%0.6679%0.787SS**  trans112.5146.4148.400000116.6
318H33.3Very low35.1Very low196 Ų196151.2 Ų151.291%0.90778%0.78SS**  cis-165.3156.35-90.3-84.4000109.9
319A32.8Very low35.1Very low88 Ų88152.5 Ų152.573%0.72778%0.782SS**  trans-89.5-171.8160.700000109.7
320P53.4Low34.8Very low112 Ų112152.8 Ų152.873%0.72778%0.784SS**  cis-145.7-171.112.540.2-17.1000115.6
321L33.7Very low34.7Very low174 Ų174152.3 Ų152.391%0.91179%0.787SS**  176.4153.9121.9-88.1177000112.7
322N30.8Very low34.6Very low131 Ų131149.2 Ų149.270%0.70179%0.788SS**  trans-114.7154.1-161.4-156.2-33.4000110
323L38Very low34.6Very low172 Ų172147.8 Ų147.890%0.90180%0.796SS**  trans-153.6121.2157.3-13398.7000111.9
324D32.6Very low34.3Very low146 Ų146143 Ų14378%0.78179%0.793SS**  trans-65.8146.9170.8-74.5-74.9000113.7
325R31.9Very low33.8Very low253 Ų253144.1 Ų144.196%0.95580%0.797SS**  trans-152.3122.8138.8-150.1172-175.3-152.52.5114.6
326R33.8Very low33.7Very low224 Ų224143.5 Ų143.585%0.84579%0.794SS**  trans-68.2138.6172.5-170.9-164.6-60.8-118.33.8112.8
327R29.8Very low32.8Very low218 Ų218143.3 Ų143.382%0.82380%0.795SS**  trans-166.3113.9139.8-174.5165.9-97.6-116.3-5.2112.2H329R327-H329 PolarHBondContact NH1-NE2 2.99Å
328S32.2Very low32.9Very low94 Ų94149 Ų14966%0.65781%0.805SS**  trans-73.6150.6166.6-17.60000111.2
329H32.1Very low33.1Very low161 Ų161144.8 Ų144.875%0.74580%0.798SS**  trans-160.2147.4141.2-71.1-53000110.4R327R327-H329 PolarHBondContact NH1-NE2 2.99Å
330S29.4Very low33.9Very low103 Ų103146.7 Ų146.772%0.7280%0.803SS**  trans-108.5176.4-162.545.40000113.9
331T31.3Very low32.7Very low137 Ų137148.4 Ų148.484%0.8481%0.805SS**  trans91.4150.916274.60000117.6
332A30.1Very low32.9Very low90 Ų90148.6 Ų148.674%0.74481%0.807SS**  cis178.7145.8-32.500000107.3
333A28.9Very low32.9Very low112 Ų112148 Ų14893%0.92681%0.812SS**  trans75.4139.7149.200000123.8
334G28.6Very low32.7Very low70 Ų70144.1 Ų144.172%0.72281%0.805SS**  trans122.386.6156.100000114
335V34.2Very low32.7Very low139 Ų139142.9 Ų142.984%0.84281%0.808SS**  56.1117.573.9-161.40000116.3
336R30.2Very low33Very low218 Ų218136.7 Ų136.782%0.82380%0.803SS**  trans131.9109.6152.2-78.2177.1159.4-107.9-1.3110.6
337S34Very low33.7Very low107 Ų107131.9 Ų131.975%0.74880%0.801SS**  64.5104.970.4-62.90000113.9
338E30.7Very low33.8Very low185 Ų185127.9 Ų127.986%0.86480%0.801SS**  175.4134.2117.4-101.1-179.189.500112
339S36Very low33.9Very low107 Ų107129 Ų12975%0.74881%0.809SS**  trans-94.5164.6158.5-54.10000108.4
340P49.4Very low34Very low128 Ų128127 Ų12783%0.83181%0.813SS**  -142.5149.811429.8-12.4000115.5
341N30.1Very low34.2Very low147 Ų147127.8 Ų127.879%0.78682%0.819SS**  trans-71.3147.5160.5-78.9-51.9000110.8
342L36Very low34.4Very low179 Ų179127 Ų12794%0.93782%0.819SS**  trans-141.8126.4148.8-74.3179.9000110.9
343S32.7Very low35.2Very low117 Ų117128.9 Ų128.982%0.81882%0.824SS**  trans-93.7143.3170.5-48.60000110.1
344A32Very low35.4Very low91 Ų91129.1 Ų129.175%0.75282%0.819SS**  trans176.1110.7148.500000107.9
345S33.7Very low36Very low121 Ų121131.3 Ų131.385%0.84682%0.823SS**  68.7102.784.7-58.60000114.1
346S37Very low36.8Very low122 Ų122130.4 Ų130.485%0.85382%0.82SS**  trans-66.3161.7167.1-45.30000112.7
347P48.8Very low37.7Very low123 Ų123126 Ų12680%0.79982%0.82SS**  trans-129151.113535.1-24.4000113.8
348T32.1Very low37.6Very low134 Ų134126.9 Ų126.982%0.82283%0.825SS**  trans-70.2144.7174.753.20000112.5
349S34.1Very low37.9Very low118 Ų118123.9 Ų123.983%0.82583%0.825SS**  trans-169.3121138.250.70000111.9
350S35Very low37.8Very low119 Ų119124.1 Ų124.183%0.83283%0.827SS**  trans-67.9140.3166.148.10000112.4
351S33.4Very low37.2Very low120 Ų120123.5 Ų123.584%0.83983%0.825SS**  trans-152.1123.8154470000110.9
352S36.5Very low37.3Very low120 Ų120121.5 Ų121.584%0.83982%0.823SS**PPolyproline II helixtrans-95.9144.4168.5-55.40000108.8
353P46Very low37.3Very low130 Ų130118 Ų11884%0.84481%0.814SS**PPolyproline II helixtrans-94.9140.2171.133.3-28.9000112.7
354S33.4Very low37.5Very low117 Ų117117.6 Ų117.682%0.81881%0.811SS**PPolyproline II helixtrans-84.7145.8174.646.20000112.9
355S41.8Very low37.7Very low115 Ų115117.5 Ų117.580%0.80480%0.804SS**PPolyproline II helixtrans-66157.4173.9-490000114.2
356P50.7Low37.9Very low121 Ų121120.1 Ų120.179%0.78680%0.803SS**PPolyproline II helixtrans-90.1161.5176.335.8-33.4000113.6
357P48.9Very low38Very low126 Ų126122.8 Ų122.882%0.81880%0.802SS**PPolyproline II helixtrans-92.4159.6-177.736.2-33.7000114.5
358S32.3Very low37.4Very low124 Ų124122.2 Ų122.287%0.86780%0.801SS**PPolyproline II helixtrans-73.9144.9172.741.60000113.3
359S36.5Very low37.8Very low123 Ų123123.6 Ų123.686%0.8680%0.802SS**  trans-132.6135.4165.954.60000110.6
360S33.9Very low38.6Very low112 Ų112123.4 Ų123.478%0.78380%0.798SS**  trans-107.3165-174.747.90000112.7
361S35.6Very low39Very low115 Ų115122.7 Ų122.780%0.80479%0.793SS**  trans81.2139.4166.378.80000116.3
362S33.8Very low39.8Very low105 Ų105126.1 Ų126.173%0.73479%0.793SS**  cis-167.4144.325.540.10000113.7
363S35.7Very low40.1Very low106 Ų106126.6 Ų126.674%0.74179%0.794SS**  trans42.5140.7140.862.30000127.5
364S35.7Very low40.1Very low108 Ų108131 Ų13176%0.75579%0.793SS**  trans93.2140.7143.474.10000119.1
365S37.5Very low40.8Very low89 Ų89129.8 Ų129.862%0.62279%0.785SS**  cis-169.6157.1-17.5-74.10000109.9
366H38Very low41.2Very low175 Ų175132.4 Ų132.481%0.8178%0.784SS**  trans75.7114.2150.9-54.4-58.4000122.4
367Q38.5Very low41.1Very low179 Ų179133.6 Ų133.684%0.83678%0.781SS**  159.2131.396.9-76.1-149.470.800115.1
368S35.5Very low41.2Very low111 Ų111133 Ų13378%0.77678%0.779SS**  trans62.5120.8142.654.50000124.6
369L40.3Very low42.3Very low162 Ų162131 Ų13185%0.84877%0.766SS**  trans-48.4164.1164.2-80.8162.6000116.4
370P52Low43.2Very low115 Ų115130 Ų13075%0.74776%0.756SS**  -146.5144.455.237.3-14.4000120.7
371S42.9Very low44.3Very low104 Ų104131.8 Ų131.873%0.72776%0.756SS**  trans18.3114143.657.30000120.6
372K49.3Very low45.4Very low191 Ų191130.6 Ų130.683%0.8375%0.748SS**  trans-129.7130.3145.5-105.5146.7179.1169.50108.2R374K372-R374 PolarHBondContact O-N 3.11Å
373P43.2Very low46.8Very low131 Ų131129.8 Ų129.885%0.85174%0.742SS**  trans-73.3100.3176.230.3-28.9000107.2S375P373-S375 VanDerWaalsContact C-N 3.34Å; P373-S375 PolarHBondContact O-N 3.03Å; P373-S375 VanDerWaalsContact O-N 3.09Å
374R46.2Very low48.2Very low222 Ų222130.1 Ų130.184%0.83874%0.736SS**  trans-71.6100.1162.2-76.4-175.5174.2-133.80.3105.8K372 H376K372-R374 PolarHBondContact O-N 3.11Å; R374-H376 PolarHBondContact O-N 2.93Å
375S48.1Very low49.9Very low91 Ų91128 Ų12864%0.63672%0.72SS**  trans-45.7116.3164.850.70000108.5P373 M377P373-S375 VanDerWaalsContact C-N 3.34Å; P373-S375 PolarHBondContact O-N 3.03Å; P373-S375 VanDerWaalsContact O-N 3.09Å; S375-M377 VanDerWaalsContact C-N 3.27Å; S375-M377 PolarHBondContact O-N 3.18Å
376H50.6Low51.8Low170 Ų170129.2 Ų129.279%0.78772%0.716SS**  trans-61.388.7173.5-50.2-86.9000108.6R374 S378R374-H376 PolarHBondContact O-N 2.93Å; H376-S378 VanDerWaalsContact C-N 3.31Å; H376-S378 PolarHBondContact O-N 2.99Å
377M49.3Very low54.2Low147 Ų147124.2 Ų124.272%0.72470%0.695SS**  trans-87.685157.8-65.1-62.4114.700105.7S375 S379S375-M377 VanDerWaalsContact C-N 3.27Å; S375-M377 PolarHBondContact O-N 3.18Å; M377-S379 PolarHBondContact O-N 3.23Å
378S49.6Very low56.7Low113 Ų113118 Ų11879%0.7967%0.67SS**  trans-67.874.7167.6-54.50000108.2H376H376-S378 VanDerWaalsContact C-N 3.31Å; H376-S378 PolarHBondContact O-N 2.99Å
379S57.3Low59.5Low83 Ų83116 Ų11658%0.5865%0.65SS**  trans-68.3130.1167.7-68.20000107.9M377 L381M377-S379 PolarHBondContact O-N 3.23Å; S379-L381 VanDerWaalsContact C-N 3.34Å; S379-L381 PolarHBondContact O-N 3.15Å
380P53.7Low62.2Low102 Ų102115 Ų11566%0.66264%0.639SS**  trans-75.286.4-17630.5-32.7000109.8S382 S383P380-S382 PolarHBondContact O-N 3.31Å; P380-S382 VanDerWaalsContact O-N 3.11Å; P380-S383 PolarHBondContact O-N 3.36Å
381L57.9Low64.3Low149 Ų149116.7 Ų116.778%0.7863%0.63SS**THydrogen-bonded Turntrans-60-15.4172.5-105.381.3000113S379 S383S379-L381 VanDerWaalsContact C-N 3.34Å; S379-L381 PolarHBondContact O-N 3.15Å; L381-S383 VanDerWaalsContact C-N 3.32Å; L381-S383 PolarHBondContact O-N 2.98Å
382S58.9Low66.8Low90 Ų90117.6 Ų117.663%0.62962%0.621SS**Hα-helixtrans-74.7-21.2179.589.70000113.3P380 D384P380-S382 PolarHBondContact O-N 3.31Å; P380-S382 VanDerWaalsContact O-N 3.11Å; S382-D384 VanDerWaalsContact C-N 3.32Å; S382-D384 PolarHBondContact O-N 2.89Å
383S61.8Low69.1Low88 Ų88111 Ų11162%0.61560%0.603SS**Hα-helixtrans-70.1-29.6-179.6-174.30000112.7P380 L381P380-S383 PolarHBondContact O-N 3.36Å; L381-S383 VanDerWaalsContact C-N 3.32Å; L381-S383 PolarHBondContact O-N 2.98Å
384D65.4Low71.7Confident113 Ų113110.6 Ų110.660%0.60459%0.589SS**Hα-helixtrans-86.2-33.8-177.6-156.810.9000111.3S382 E386 D387 T388S382-D384 VanDerWaalsContact C-N 3.32Å; S382-D384 PolarHBondContact O-N 2.89Å; D384-E386 PolarHBondContact O-N 3.46Å; D384-D387 PolarHBondContact O-N 3.3Å; D384-T388 WeakPolarHBondContact O-CG2 3.46Å; D384-T388 PolarHBondContact O-N 3.12Å; D384-T388 VanDerWaalsContact O-N 3.14Å
385C73.1Confident74.2Confident64 Ų64103.5 Ų103.543%0.43257%0.568SS.*Hα-helixtrans-59.3-46.2177.4-166.80000112.3D387 T388 D389C385-D387 VanDerWaalsContact C-N 3.28Å; C385-D387 PolarHBondContact O-N 3.19Å; C385-T388 PolarHBondContact O-N 2.85Å; C385-T388 VanDerWaalsContact O-N 3.14Å; C385-T388 PolarHBondContact O-OG1 3.06Å; C385-D389 PolarHBondContact O-N 3.16Å
386E76.9Confident76.6Confident114 Ų114105.2 Ų105.253%0.53356%0.564SS.*Hα-helixtrans-60.5-33.3177.9-71.4-71.2123.900112.9D384 K390D384-E386 PolarHBondContact O-N 3.46Å; E386-K390 WeakPolarHBondContact O-CD 3.28Å; E386-K390 VanDerWaalsContact O-CG 3.24Å; E386-K390 WeakPolarHBondContact O-CG 3.43Å; E386-K390 PolarHBondContact O-N 3.13Å
387D87.6Confident78.9Confident70 Ų70102.2 Ų102.237%0.37455%0.553SS.*Hα-helixtrans-70.2-43.4174.8-172.671.7000111.3D384 C385 D389 K390 R391D384-D387 PolarHBondContact O-N 3.3Å; C385-D387 VanDerWaalsContact C-N 3.28Å; C385-D387 PolarHBondContact O-N 3.19Å; D387-D389 VanDerWaalsContact C-N 3.31Å; D387-D389 PolarHBondContact O-N 3.49Å; D387-K390 PolarHBondContact O-N 2.96Å; D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.37Å; D387-R391 IonicContact OD2-CZ 3.76Å; D387-R391 IonicContact OD2-NE 3.7Å; D387-R391 IonicContact OD2-NH2 3.99Å; D387-R391 PolarHBondContact OD2-NH2 3.05Å
388T92Very high81.2Confident49 Ų4998 Ų9830%0.30153%0.532SS..Hα-helixtrans-62.9-38.5178.670.50000112.2D384 C385 R391 K392D384-T388 WeakPolarHBondContact O-CG2 3.46Å; D384-T388 PolarHBondContact O-N 3.12Å; D384-T388 VanDerWaalsContact O-N 3.14Å; C385-T388 PolarHBondContact O-N 2.85Å; C385-T388 VanDerWaalsContact O-N 3.14Å; C385-T388 PolarHBondContact O-OG1 3.06Å; T388-R391 WeakPolarHBondContact O-CB 3.33Å; T388-R391 PolarHBondContact O-N 2.98Å; T388-K392 VanDerWaalsContact O-CG 3.25Å; T388-K392 WeakPolarHBondContact O-CG 3.49Å; T388-K392 PolarHBondContact O-N 3.47Å
389D94.4Very high83.6Confident69 Ų6999.7 Ų99.737%0.36952%0.521SS..Hα-helixtrans-73.5-37.6-179.2-69.9-26.4000112.2C385 D387 R391 K392 A393C385-D389 PolarHBondContact O-N 3.16Å; D387-D389 VanDerWaalsContact C-N 3.31Å; D387-D389 PolarHBondContact O-N 3.49Å; D389-R391 VanDerWaalsContact C-N 3.32Å; D389-R391 PolarHBondContact O-N 3.44Å; D389-K392 PolarHBondContact O-N 2.92Å; D389-K392 IonicContact OD1-NZ 2.8Å; D389-K392 PolarHBondContact OD1-NZ 3.41Å; D389-A393 WeakPolarHBondContact O-CB 3.49Å; D389-A393 PolarHBondContact O-N 3.3Å
390K95.3Very high85.5Confident139 Ų139102.5 Ų102.560%0.60452%0.522SS*.Hα-helixtrans-59.3-44.1169-73169.8-172.1171.80111.4E386 D387 A393 H394E386-K390 WeakPolarHBondContact O-CD 3.28Å; E386-K390 VanDerWaalsContact O-CG 3.24Å; E386-K390 WeakPolarHBondContact O-CG 3.43Å; E386-K390 PolarHBondContact O-N 3.13Å; D387-K390 PolarHBondContact O-N 2.96Å; K390-A393 PolarHBondContact O-N 3.44Å; K390-H394 WeakPolarHBondContact O-CB 3.32Å; K390-H394 PolarHBondContact O-N 3.4Å
391R96.1Very high87.7Confident151 Ų151104.4 Ų104.457%0.5752%0.516SS*.Hα-helixtrans-63.5-43.3176.9-168-175.9-56.2-174.75.6111.9D387 T388 D389 N395D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.37Å; D387-R391 IonicContact OD2-CZ 3.76Å; D387-R391 IonicContact OD2-NE 3.7Å; D387-R391 IonicContact OD2-NH2 3.99Å; D387-R391 PolarHBondContact OD2-NH2 3.05Å; T388-R391 WeakPolarHBondContact O-CB 3.33Å; T388-R391 PolarHBondContact O-N 2.98Å; D389-R391 VanDerWaalsContact C-N 3.32Å; D389-R391 PolarHBondContact O-N 3.44Å; R391-N395 WeakPolarHBondContact O-CB 3.23Å; R391-N395 PolarHBondContact O-N 3.27Å; R391-N395 PolarHBondContact O-ND2 3.13Å
392K97.1Very high89.6Confident123 Ų123102 Ų10254%0.53550%0.497SS..Hα-helixtrans-61.8-47.6175.2-72.1169.9-157.1156.30111.4T388 D389 H394 N395 F396T388-K392 VanDerWaalsContact O-CG 3.25Å; T388-K392 WeakPolarHBondContact O-CG 3.49Å; T388-K392 PolarHBondContact O-N 3.47Å; D389-K392 PolarHBondContact O-N 2.92Å; D389-K392 IonicContact OD1-NZ 2.8Å; D389-K392 PolarHBondContact OD1-NZ 3.41Å; K392-H394 PolarHBondContact O-N 3.16Å; K392-N395 PolarHBondContact O-N 3.19Å; K392-F396 WeakPolarHBondContact O-CB 3.4Å; K392-F396 PolarHBondContact O-N 3.44Å
393A97Very high91.5Very high53 Ų53102.4 Ų102.444%0.43849%0.492SS..Hα-helixtrans-60.7-45.7178.400000111.8D389 K390 N395 F396 L397D389-A393 WeakPolarHBondContact O-CB 3.49Å; D389-A393 PolarHBondContact O-N 3.3Å; K390-A393 PolarHBondContact O-N 3.44Å; A393-N395 PolarHBondContact O-N 3.5Å; A393-F396 WeakPolarHBondContact O-CB 3.31Å; A393-F396 PolarHBondContact O-N 3.47Å; A393-L397 WeakPolarHBondContact O-CG 3.25Å; A393-L397 PolarHBondContact O-N 2.96Å
394H98.1Very high93.3Very high122 Ų122101.8 Ų101.857%0.56548%0.482SS*.Hα-helixtrans-58.4-48.1174.1173.6-91.6000111.9K390 K392 F396 L397 E398K390-H394 WeakPolarHBondContact O-CB 3.32Å; K390-H394 PolarHBondContact O-N 3.4Å; K392-H394 PolarHBondContact O-N 3.16Å; H394-F396 VanDerWaalsContact C-N 3.3Å; H394-F396 PolarHBondContact O-N 3.46Å; H394-L397 PolarHBondContact O-N 2.99Å; H394-E398 PolarHBondContact O-N 3.27Å
395N98.3Very high94.8Very high74 Ų7499.5 Ų99.540%0.39647%0.47SS..Hα-helixtrans-61.8-37.4178-80.1-41000113R391 K392 A393 R399R391-N395 WeakPolarHBondContact O-CB 3.23Å; R391-N395 PolarHBondContact O-N 3.27Å; R391-N395 PolarHBondContact O-ND2 3.13Å; K392-N395 PolarHBondContact O-N 3.19Å; A393-N395 PolarHBondContact O-N 3.5Å; N395-R399 WeakPolarHBondContact O-CB 3.45Å; N395-R399 PolarHBondContact O-N 3.08Å
396F98.5Very high96Very high126 Ų126102.6 Ų102.655%0.55347%0.472SS*.Hα-helixtrans-62.5-50.6174.7175.2-96.6000111.1K392 A393 H394 E398 R399 K400K392-F396 WeakPolarHBondContact O-CB 3.4Å; K392-F396 PolarHBondContact O-N 3.44Å; A393-F396 WeakPolarHBondContact O-CB 3.31Å; A393-F396 PolarHBondContact O-N 3.47Å; H394-F396 VanDerWaalsContact C-N 3.3Å; H394-F396 PolarHBondContact O-N 3.46Å; F396-E398 PolarHBondContact O-N 3.18Å; F396-R399 PolarHBondContact O-N 3.46Å; F396-K400 PolarHBondContact O-N 2.84Å
397L98.3Very high97Very high108 Ų10899.5 Ų99.557%0.56546%0.463SS*.Hα-helixtrans-61.3-42.8178.7-70174.5000111.9A393 H394 R399 K400 R401A393-L397 WeakPolarHBondContact O-CG 3.25Å; A393-L397 PolarHBondContact O-N 2.96Å; H394-L397 PolarHBondContact O-N 2.99Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.86Å; L397-K400 PolarHBondContact O-N 3.06Å; L397-R401 WeakPolarHBondContact O-CB 3.48Å; L397-R401 PolarHBondContact O-N 2.89Å
398E98.6Very high97.5Very high57 Ų57103.6 Ų103.627%0.26647%0.473SS..Hα-helixtrans-68.2-33.3177.7176.853-159.500112.3H394 F396 R401 R402H394-E398 PolarHBondContact O-N 3.27Å; F396-E398 PolarHBondContact O-N 3.18Å; E398-R401 IonicContact OE1-NH1 3.1Å; E398-R401 PolarHBondContact OE1-NH1 3.38Å; E398-R401 WeakPolarHBondContact OE2-CD 3.47Å; E398-R401 IonicContact OE2-CZ 2.84Å; E398-R401 IonicContact OE2-NE 2.82Å; E398-R401 IonicContact OE2-NH1 2.83Å; E398-R401 PolarHBondContact OE2-NH1 3.48Å; E398-R402 WeakPolarHBondContact O-CB 3.41Å; E398-R402 VanDerWaalsContact O-CG 3.24Å; E398-R402 WeakPolarHBondContact O-CG 3.38Å; E398-R402 PolarHBondContact O-N 3.46Å; E398-R402 PolarHBondContact O-NE 3.36Å; E398-R402 WeakPolarHBondContact OE1-CD 3.32Å; E398-R402 VanDerWaalsContact OE1-CG 3.29Å; E398-R402 WeakPolarHBondContact OE1-CG 3.3Å; E398-R402 IonicContact OE1-NE 3.72Å
399R98.8Very high97.8Very high150 Ų150102.8 Ų102.857%0.56647%0.466SS*.Hα-helixtrans-66-44.4171.5-172.9-179.3-69.4104.5-5.1111.2N395 F396 L397 R402 N403N395-R399 WeakPolarHBondContact O-CB 3.45Å; N395-R399 PolarHBondContact O-N 3.08Å; F396-R399 PolarHBondContact O-N 3.46Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.86Å; R399-R402 PolarHBondContact O-N 2.88Å; R399-N403 PolarHBondContact O-N 3.05Å
400K98.7Very high98Very high141 Ų141103.5 Ų103.561%0.61347%0.469SS*.Hα-helixtrans-59.9-47.7176.1-173.5178.8179.7-178.40111F396 L397 R402 N403 D404F396-K400 PolarHBondContact O-N 2.84Å; L397-K400 PolarHBondContact O-N 3.06Å; K400-R402 PolarHBondContact O-N 3.08Å; K400-N403 WeakPolarHBondContact O-CB 3.48Å; K400-N403 PolarHBondContact O-N 3.44Å; K400-N403 VanDerWaalsContact O-N 3.11Å; K400-D404 PolarHBondContact O-N 3.24Å
401R98.8Very high98.1Very high142 Ų142102.6 Ų102.654%0.53647%0.47SS..Hα-helixtrans-56.7-46.6174.4179.1-178.2154.6-83.9-5111.9L397 E398 N403 D404 L405L397-R401 WeakPolarHBondContact O-CB 3.48Å; L397-R401 PolarHBondContact O-N 2.89Å; E398-R401 IonicContact OE1-NH1 3.1Å; E398-R401 PolarHBondContact OE1-NH1 3.38Å; E398-R401 WeakPolarHBondContact OE2-CD 3.47Å; E398-R401 IonicContact OE2-CZ 2.84Å; E398-R401 IonicContact OE2-NE 2.82Å; E398-R401 IonicContact OE2-NH1 2.83Å; E398-R401 PolarHBondContact OE2-NH1 3.48Å; R401-N403 VanDerWaalsContact C-N 3.3Å; R401-N403 PolarHBondContact O-N 3.1Å; R401-D404 PolarHBondContact O-N 3.31Å; R401-L405 WeakPolarHBondContact O-CB 3.17Å; R401-L405 PolarHBondContact O-N 3.01Å
402R98.6Very high98.2Very high99 Ų9998.5 Ų98.537%0.37446%0.459SS..Hα-helixtrans-66-30.3177.2-72.6-178.8-67.7170.4-6.2112.9E398 R399 K400 R406E398-R402 WeakPolarHBondContact O-CB 3.41Å; E398-R402 VanDerWaalsContact O-CG 3.24Å; E398-R402 WeakPolarHBondContact O-CG 3.38Å; E398-R402 PolarHBondContact O-N 3.46Å; E398-R402 PolarHBondContact O-NE 3.36Å; E398-R402 WeakPolarHBondContact OE1-CD 3.32Å; E398-R402 VanDerWaalsContact OE1-CG 3.29Å; E398-R402 WeakPolarHBondContact OE1-CG 3.3Å; E398-R402 IonicContact OE1-NE 3.72Å; R399-R402 PolarHBondContact O-N 2.88Å; K400-R402 PolarHBondContact O-N 3.08Å; R402-R406 VanDerWaalsContact O-CG 3.28Å; R402-R406 WeakPolarHBondContact O-CG 3.34Å; R402-R406 PolarHBondContact O-N 3.47Å; R402-R406 PolarHBondContact O-NH1 2.98Å; R402-R406 VanDerWaalsContact O-NH1 3.11Å
403N98.6Very high98.2Very high99 Ų9994 Ų9453%0.52944%0.439SS..Hα-helixtrans-71.7-49.1174.7-176.1-88.4000110.9R399 K400 R401 L405 R406 S407R399-N403 PolarHBondContact O-N 3.05Å; K400-N403 WeakPolarHBondContact O-CB 3.48Å; K400-N403 PolarHBondContact O-N 3.44Å; K400-N403 VanDerWaalsContact O-N 3.11Å; R401-N403 VanDerWaalsContact C-N 3.3Å; R401-N403 PolarHBondContact O-N 3.1Å; N403-L405 VanDerWaalsContact C-N 3.3Å; N403-L405 PolarHBondContact O-N 3.46Å; N403-R406 WeakPolarHBondContact O-CA 3.46Å; N403-R406 WeakPolarHBondContact O-CB 3.07Å; N403-R406 PolarHBondContact O-N 3.45Å; N403-S407 PolarHBondContact O-N 2.97Å; N403-S407 PolarHBondContact O-OG 3.09Å
404D98.6Very high98.3Very high75 Ų7595 Ų9540%0.40144%0.437SS..Hα-helixtrans-55.7-45.5175.3-175.558.6000111.7K400 R401 R406 S407 R408K400-D404 PolarHBondContact O-N 3.24Å; R401-D404 PolarHBondContact O-N 3.31Å; D404-R406 VanDerWaalsContact C-N 3.32Å; D404-R406 PolarHBondContact O-N 3.1Å; D404-S407 WeakPolarHBondContact O-CB 3.38Å; D404-S407 PolarHBondContact O-N 3.07Å; D404-R408 WeakPolarHBondContact O-CG 3.28Å; D404-R408 PolarHBondContact O-N 2.97Å; D404-R408 IonicContact OD1-NE 2.82Å; D404-R408 IonicContact OD2-CZ 3.84Å; D404-R408 IonicContact OD2-NE 3.42Å; D404-R408 PolarHBondContact OD2-NE 3.15Å; D404-R408 IonicContact OD2-NH2 3.7Å; D404-R408 PolarHBondContact OD2-NH2 3.18Å; D404-R408 VanDerWaalsContact OD2-NH2 3.1Å
405L98.6Very high98.2Very high65 Ų6596.2 Ų96.234%0.3444%0.443SS..Hα-helixtrans-60.4-40.8176.4-175.961.2000112.1R401 N403 R408 F409R401-L405 WeakPolarHBondContact O-CB 3.17Å; R401-L405 PolarHBondContact O-N 3.01Å; N403-L405 VanDerWaalsContact C-N 3.3Å; N403-L405 PolarHBondContact O-N 3.46Å; L405-R408 PolarHBondContact O-N 3.03Å; L405-F409 HydrophobicContact CD1-CD2 4.08Å; L405-F409 HydrophobicContact CD1-CE2 3.83Å; L405-F409 HydrophobicContact CD2-CE2 4.49Å; L405-F409 HydrophobicContact CG-CD2 4.05Å; L405-F409 HydrophobicContact CG-CE2 3.98Å; L405-F409 VanDerWaalsContact O-CD2 3.28Å; L405-F409 WeakPolarHBondContact O-CD2 3.36Å; L405-F409 PolarHBondContact O-N 2.97Å; L405-F409 VanDerWaalsContact O-N 3.09Å
406R97.7Very high98.2Very high128 Ų12893.1 Ų93.148%0.48343%0.426SS..Hα-helixtrans-63.4-43.7175.9-76.6178.6-171.8101-9.1111.2R402 N403 D404 R408 F409 L410R402-R406 VanDerWaalsContact O-CG 3.28Å; R402-R406 WeakPolarHBondContact O-CG 3.34Å; R402-R406 PolarHBondContact O-N 3.47Å; R402-R406 PolarHBondContact O-NH1 2.98Å; R402-R406 VanDerWaalsContact O-NH1 3.11Å; N403-R406 WeakPolarHBondContact O-CA 3.46Å; N403-R406 WeakPolarHBondContact O-CB 3.07Å; N403-R406 PolarHBondContact O-N 3.45Å; D404-R406 VanDerWaalsContact C-N 3.32Å; D404-R406 PolarHBondContact O-N 3.1Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 3.35Å; R406-F409 WeakPolarHBondContact O-CB 3.44Å; R406-F409 PolarHBondContact O-N 3.1Å; R406-L410 WeakPolarHBondContact O-CG 3.31Å; R406-L410 PolarHBondContact O-N 3.36Å
407S98.2Very high98.1Very high50 Ų5091.2 Ų91.235%0.3543%0.427SS..Hα-helixtrans-59.5-43.5176.6-56.70000111.8N403 D404 F409 L410 L411N403-S407 PolarHBondContact O-N 2.97Å; N403-S407 PolarHBondContact O-OG 3.09Å; D404-S407 WeakPolarHBondContact O-CB 3.38Å; D404-S407 PolarHBondContact O-N 3.07Å; S407-F409 VanDerWaalsContact C-N 3.34Å; S407-F409 PolarHBondContact O-N 3.18Å; S407-L410 WeakPolarHBondContact O-CB 3.37Å; S407-L410 PolarHBondContact O-N 3.01Å; S407-L410 VanDerWaalsContact O-N 3.15Å; S407-L411 WeakPolarHBondContact O-CG 3.45Å; S407-L411 PolarHBondContact O-N 3.09Å
408R98.4Very high97.9Very high155 Ų15589.2 Ų89.259%0.58543%0.432SS*.Hα-helixtrans-61.9-38.3174.9-67175.8-170.3-112.60.3113.2D404 L405 R406 L410 L412D404-R408 WeakPolarHBondContact O-CG 3.28Å; D404-R408 PolarHBondContact O-N 2.97Å; D404-R408 IonicContact OD1-NE 2.82Å; D404-R408 IonicContact OD2-CZ 3.84Å; D404-R408 IonicContact OD2-NE 3.42Å; D404-R408 PolarHBondContact OD2-NE 3.15Å; D404-R408 IonicContact OD2-NH2 3.7Å; D404-R408 PolarHBondContact OD2-NH2 3.18Å; D404-R408 VanDerWaalsContact OD2-NH2 3.1Å; L405-R408 PolarHBondContact O-N 3.03Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 3.35Å; R408-L410 VanDerWaalsContact C-N 3.33Å; R408-L412 WeakPolarHBondContact O-CB 3.29Å; R408-L412 PolarHBondContact O-N 3.41Å
409F98.3Very high97.8Very high32 Ų3287.4 Ų87.414%0.1442%0.424CS..Hα-helixtrans-65.4-36.1174.2-92.1-75.5000112.5L405 R406 S407 R413 K427 I430 L431L405-F409 HydrophobicContact CD1-CD2 4.08Å; L405-F409 HydrophobicContact CD1-CE2 3.83Å; L405-F409 HydrophobicContact CD2-CE2 4.49Å; L405-F409 HydrophobicContact CG-CD2 4.05Å; L405-F409 HydrophobicContact CG-CE2 3.98Å; L405-F409 VanDerWaalsContact O-CD2 3.28Å; L405-F409 WeakPolarHBondContact O-CD2 3.36Å; L405-F409 PolarHBondContact O-N 2.97Å; L405-F409 VanDerWaalsContact O-N 3.09Å; R406-F409 WeakPolarHBondContact O-CB 3.44Å; R406-F409 PolarHBondContact O-N 3.1Å; S407-F409 VanDerWaalsContact C-N 3.34Å; S407-F409 PolarHBondContact O-N 3.18Å; F409-R413 WeakPolarHBondContact O-CB 3.41Å; F409-R413 PolarHBondContact O-N 3.45Å; F409-K427 HydrophobicContact CD1-CB 4.22Å; F409-K427 HydrophobicContact CD1-CG 4.07Å; F409-K427 HydrophobicContact CD2-CD 4.15Å; F409-K427 HydrophobicContact CD2-CG 4.31Å; F409-K427 HydrophobicContact CE1-CB 3.8Å; F409-K427 HydrophobicContact CE1-CD 4.45Å; F409-K427 HydrophobicContact CE1-CG 4.04Å; F409-K427 HydrophobicContact CE2-CD 3.91Å; F409-K427 HydrophobicContact CE2-CG 4.31Å; F409-K427 HydrophobicContact CG-CG 4.22Å; F409-K427 HydrophobicContact CZ-CB 4.07Å; F409-K427 HydrophobicContact CZ-CD 4.08Å; F409-K427 HydrophobicContact CZ-CG 4.17Å; F409-I430 HydrophobicContact CB-CD1 4.41Å; F409-I430 HydrophobicContact CD1-CB 4.31Å; F409-I430 HydrophobicContact CD1-CD1 4.03Å; F409-I430 HydrophobicContact CD1-CG2 4.21Å; F409-L431 HydrophobicContact CE1-CD1 4.29Å; F409-L431 HydrophobicContact CE1-CD2 3.81Å; F409-L431 HydrophobicContact CE1-CG 3.89Å; F409-L431 HydrophobicContact CZ-CD1 4.33Å; F409-L431 HydrophobicContact CZ-CD2 4.25Å; F409-L431 HydrophobicContact CZ-CG 4.39Å
410L97.3Very high97.6Very high85 Ų8582.2 Ų82.245%0.44541%0.413SS..Hα-helixtrans-67.2-48.3175.5-67.3172.6000110.9R406 S407 R408 L412 R413 D414R406-L410 WeakPolarHBondContact O-CG 3.31Å; R406-L410 PolarHBondContact O-N 3.36Å; S407-L410 WeakPolarHBondContact O-CB 3.37Å; S407-L410 PolarHBondContact O-N 3.01Å; S407-L410 VanDerWaalsContact O-N 3.15Å; R408-L410 VanDerWaalsContact C-N 3.33Å; L410-L412 VanDerWaalsContact C-N 3.31Å; L410-L412 PolarHBondContact O-N 3.21Å; L410-R413 WeakPolarHBondContact O-CB 3.49Å; L410-R413 PolarHBondContact O-N 3.42Å; L410-R413 VanDerWaalsContact O-N 3.1Å; L410-D414 PolarHBondContact O-N 3.14Å
411L97.9Very high97.2Very high119 Ų11983 Ų8362%0.62342%0.424SS*.Hα-helixtrans-56-46174.9-67.6175000111.7S407 R413 D414 E415S407-L411 WeakPolarHBondContact O-CG 3.45Å; S407-L411 PolarHBondContact O-N 3.09Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 2.96Å; L411-D414 PolarHBondContact O-N 3.47Å; L411-E415 PolarHBondContact O-N 3.11Å
412L98.3Very high96.8Very high65 Ų6579 Ų7934%0.3442%0.417SS..Hα-helixtrans-62.6-40.6177.1178.160.4000112.4R408 L410 D414 E415 I416 I430 L431 A434R408-L412 WeakPolarHBondContact O-CB 3.29Å; R408-L412 PolarHBondContact O-N 3.41Å; L410-L412 VanDerWaalsContact C-N 3.31Å; L410-L412 PolarHBondContact O-N 3.21Å; L412-D414 VanDerWaalsContact C-N 3.3Å; L412-D414 PolarHBondContact O-N 3.24Å; L412-E415 PolarHBondContact O-N 2.9Å; L412-I416 HydrophobicContact CD1-CD1 4.4Å; L412-I416 HydrophobicContact CG-CD1 4.2Å; L412-I416 VanDerWaalsContact O-CD1 3.31Å; L412-I416 WeakPolarHBondContact O-CD1 3.47Å; L412-I416 VanDerWaalsContact O-CG1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.41Å; L412-I430 HydrophobicContact CB-CG2 4.25Å; L412-I430 HydrophobicContact CD2-CG2 3.77Å; L412-I430 HydrophobicContact CG-CG2 3.78Å; L412-L431 HydrophobicContact CD2-CD2 4.25Å; L412-A434 HydrophobicContact CD1-CB 4.1Å; L412-A434 HydrophobicContact CD2-CB 4.27Å; L412-A434 HydrophobicContact CG-CB 4.41Å
413R98Very high96.2Very high28 Ų2878.3 Ų78.311%0.10643%0.433CS..Hα-helixtrans-61.7-41178.1-178.6-157.764.5172.7-2.8111.4F409 L410 L411 E415 I416 L419 C422 A423 I430F409-R413 WeakPolarHBondContact O-CB 3.41Å; F409-R413 PolarHBondContact O-N 3.45Å; L410-R413 WeakPolarHBondContact O-CB 3.49Å; L410-R413 PolarHBondContact O-N 3.42Å; L410-R413 VanDerWaalsContact O-N 3.1Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 2.96Å; R413-E415 VanDerWaalsContact C-N 3.26Å; R413-E415 PolarHBondContact O-N 3Å; R413-I416 PolarHBondContact O-N 3.34Å; R413-I416 VanDerWaalsContact O-N 3.13Å; R413-L419 WeakPolarHBondContact CD-O 3.35Å; R413-L419 HydrophobicContact CG-CB 3.78Å; R413-L419 WeakPolarHBondContact CG-O 3.42Å; R413-C422 PolarHBondContact NH1-O 3.28Å; R413-A423 VanDerWaalsContact NH1-CA 3.35Å; R413-I430 HydrophobicContact CB-CD1 3.97Å; R413-I430 HydrophobicContact CB-CG1 4.15Å; R413-I430 HydrophobicContact CB-CG2 4.32Å; R413-I430 HydrophobicContact CG-CD1 4.34Å; R413-I430 HydrophobicContact CG-CG1 4.28Å
414D97.4Very high95.8Very high76 Ų7683.3 Ų83.341%0.40645%0.45SS..Hα-helixtrans-69.3-26.4-175-62.1-13.2000112.1L410 L411 L412 I416L410-D414 PolarHBondContact O-N 3.14Å; L411-D414 PolarHBondContact O-N 3.47Å; L412-D414 VanDerWaalsContact C-N 3.3Å; L412-D414 PolarHBondContact O-N 3.24Å; D414-I416 VanDerWaalsContact C-N 3.32Å
415E97.5Very high95.7Very high147 Ų14781 Ų8169%0.68744%0.438SS*.THydrogen-bonded Turntrans-77-12.7173.1-66.3-62.4152.300114.1L411 L412 R413 P417 Y437L411-E415 PolarHBondContact O-N 3.11Å; L412-E415 PolarHBondContact O-N 2.9Å; R413-E415 VanDerWaalsContact C-N 3.26Å; R413-E415 PolarHBondContact O-N 3Å; E415-P417 WeakPolarHBondContact O-CD 3.4Å; E415-Y437 WeakPolarHBondContact O-CE1 3.2Å
416I97.8Very high95.6Very high8 Ų881.7 Ų81.74%0.04145%0.447CS..SBendtrans-96.4119.2-175.7-60.2159.9000109.7L412 R413 D414 G418 L419 I430 R433 A434L412-I416 HydrophobicContact CD1-CD1 4.4Å; L412-I416 HydrophobicContact CG-CD1 4.2Å; L412-I416 VanDerWaalsContact O-CD1 3.31Å; L412-I416 WeakPolarHBondContact O-CD1 3.47Å; L412-I416 VanDerWaalsContact O-CG1 3.29Å; L412-I416 WeakPolarHBondContact O-CG1 3.41Å; R413-I416 PolarHBondContact O-N 3.34Å; R413-I416 VanDerWaalsContact O-N 3.13Å; D414-I416 VanDerWaalsContact C-N 3.32Å; I416-G418 PolarHBondContact O-N 3.11Å; I416-L419 HydrophobicContact CB-CB 4.21Å; I416-L419 HydrophobicContact CB-CD1 4.06Å; I416-L419 HydrophobicContact CB-CG 4.3Å; I416-L419 HydrophobicContact CD1-CD1 4Å; I416-L419 HydrophobicContact CG2-CB 4.31Å; I416-L419 HydrophobicContact CG2-CD1 3.76Å; I416-L419 HydrophobicContact CG2-CG 3.9Å; I416-L419 PolarHBondContact O-N 3.42Å; I416-L419 VanDerWaalsContact O-N 3.07Å; I416-I430 HydrophobicContact CD1-CG2 3.95Å; I416-I430 WeakPolarHBondContact CD1-O 3.38Å; I416-R433 HydrophobicContact CG2-CB 3.91Å; I416-A434 HydrophobicContact CD1-CB 3.71Å; I416-A434 HydrophobicContact CG1-CB 4.37Å
417P96.4Very high95.6Very high87 Ų8780.5 Ų80.557%0.56545%0.445SS*.THydrogen-bonded Turntrans-54.2132.7178.1-26.935000112.4E415 L419 Y437E415-P417 WeakPolarHBondContact O-CD 3.4Å; P417-L419 VanDerWaalsContact C-N 3.27Å; P417-L419 PolarHBondContact O-N 2.92Å; P417-Y437 VanDerWaalsContact CD-CZ 3.49Å; P417-Y437 HydrophobicContact CG-CD2 4.19Å; P417-Y437 HydrophobicContact CG-CE1 4.2Å; P417-Y437 HydrophobicContact CG-CE2 3.63Å
418G94.1Very high95.6Very high65 Ų6583 Ų8367%0.6746%0.458SS*.THydrogen-bonded Turntrans79.4-3.3179.900000115.5I416I416-G418 PolarHBondContact O-N 3.11Å
419L96.1Very high95.6Very high20 Ų2077 Ų7711%0.10544%0.442CS..THydrogen-bonded Turntrans-105.4-20.3175.6-67.2-167.8000114.7R413 I416 P417 D421 C422 T425 R433R413-L419 WeakPolarHBondContact CD-O 3.35Å; R413-L419 HydrophobicContact CG-CB 3.78Å; R413-L419 WeakPolarHBondContact CG-O 3.42Å; I416-L419 HydrophobicContact CB-CB 4.21Å; I416-L419 HydrophobicContact CB-CD1 4.06Å; I416-L419 HydrophobicContact CB-CG 4.3Å; I416-L419 HydrophobicContact CD1-CD1 4Å; I416-L419 HydrophobicContact CG2-CB 4.31Å; I416-L419 HydrophobicContact CG2-CD1 3.76Å; I416-L419 HydrophobicContact CG2-CG 3.9Å; I416-L419 PolarHBondContact O-N 3.42Å; I416-L419 VanDerWaalsContact O-N 3.07Å; P417-L419 VanDerWaalsContact C-N 3.27Å; P417-L419 PolarHBondContact O-N 2.92Å; L419-D421 VanDerWaalsContact C-N 3.29Å; L419-D421 PolarHBondContact O-N 3.33Å; L419-C422 WeakPolarHBondContact O-CB 3.48Å; L419-C422 PolarHBondContact O-N 3.27Å; L419-T425 HydrophobicContact CD1-CG2 4.25Å; L419-T425 HydrophobicContact CD2-CG2 4.09Å; L419-R433 HydrophobicContact CD1-CB 3.66Å; L419-R433 HydrophobicContact CD1-CG 3.87Å; L419-R433 HydrophobicContact CD2-CG 4.46Å; L419-R433 HydrophobicContact CG-CB 4.47Å; L419-R433 HydrophobicContact CG-CG 4.42Å
420A93.7Very high95.6Very high41 Ų4175.8 Ų75.834%0.33944%0.436SS..THydrogen-bonded Turntrans-56.1-41.2-178.600000112.8C422A420-C422 VanDerWaalsContact C-N 3.26Å; A420-C422 PolarHBondContact O-N 3.44Å
421D91.3Very high95.7Very high156 Ų15675.8 Ų75.883%0.83444%0.436SS*.THydrogen-bonded Turntrans-77.9-11-178.6-55.6-38.1000113.2L419 A423L419-D421 VanDerWaalsContact C-N 3.29Å; L419-D421 PolarHBondContact O-N 3.33Å; D421-A423 PolarHBondContact O-N 3.2Å
422C90.2Very high95.7Very high59 Ų5973.3 Ų73.340%0.39943%0.427SS..  trans-88.890.9-178-68.40000110.7R413 L419 A420 K424 T425R413-C422 PolarHBondContact NH1-O 3.28Å; L419-C422 WeakPolarHBondContact O-CB 3.48Å; L419-C422 PolarHBondContact O-N 3.27Å; A420-C422 VanDerWaalsContact C-N 3.26Å; A420-C422 PolarHBondContact O-N 3.44Å; C422-K424 PolarHBondContact O-N 3.1Å; C422-K424 VanDerWaalsContact O-N 3.12Å; C422-T425 WeakPolarHBondContact CB-OG1 3.4Å; C422-T425 PolarHBondContact O-N 2.97Å; C422-T425 PolarHBondContact O-OG1 2.97Å
423A85.8Confident95.7Very high84 Ų8476.4 Ų76.469%0.69443%0.434SS*.THydrogen-bonded Turntrans-54.9-31.7-17800000114.5R413 D421R413-A423 VanDerWaalsContact NH1-CA 3.35Å; D421-A423 PolarHBondContact O-N 3.2Å
424K91.2Very high95.7Very high204 Ų20476.1 Ų76.189%0.88744%0.437SS*.THydrogen-bonded Turntrans-118.141.8-173.7-64.8-178.1179.4176.10113.3C422C422-K424 PolarHBondContact O-N 3.1Å; C422-K424 VanDerWaalsContact O-N 3.12Å
425T95.9Very high95.8Very high27 Ų2776.4 Ų76.417%0.16644%0.442CS..  trans-70128.4176.9-52.60000111.2L419 C422 A429 I430L419-T425 HydrophobicContact CD1-CG2 4.25Å; L419-T425 HydrophobicContact CD2-CG2 4.09Å; C422-T425 WeakPolarHBondContact CB-OG1 3.4Å; C422-T425 PolarHBondContact O-N 2.97Å; C422-T425 PolarHBondContact O-OG1 2.97Å; T425-A429 HydrophobicContact CG2-CB 4.01Å; T425-I430 HydrophobicContact CG2-CD1 4.48Å; T425-I430 HydrophobicContact CG2-CG1 3.68Å
426P97.3Very high95.8Very high79 Ų7972.7 Ų72.751%0.51342%0.424SS..  trans-68.2145.3177.626.5-31.3000110.9V428 A429 I430P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 PolarHBondContact O-N 2.84Å; P426-A429 HydrophobicContact CG-CB 3.7Å; P426-A429 WeakPolarHBondContact O-CB 3.36Å; P426-A429 PolarHBondContact O-N 3.29Å; P426-I430 PolarHBondContact O-N 3.23Å; P426-I430 VanDerWaalsContact O-N 3.13Å
427K97.7Very high95.9Very high103 Ų10375.8 Ų75.845%0.44844%0.436SS..Hα-helixtrans-53.3-41-177.3-68.8-178.8179.3179.60113.2F409 A429 I430 L431F409-K427 HydrophobicContact CD1-CB 4.22Å; F409-K427 HydrophobicContact CD1-CG 4.07Å; F409-K427 HydrophobicContact CD2-CD 4.15Å; F409-K427 HydrophobicContact CD2-CG 4.31Å; F409-K427 HydrophobicContact CE1-CB 3.8Å; F409-K427 HydrophobicContact CE1-CD 4.45Å; F409-K427 HydrophobicContact CE1-CG 4.04Å; F409-K427 HydrophobicContact CE2-CD 3.91Å; F409-K427 HydrophobicContact CE2-CG 4.31Å; F409-K427 HydrophobicContact CG-CG 4.22Å; F409-K427 HydrophobicContact CZ-CB 4.07Å; F409-K427 HydrophobicContact CZ-CD 4.08Å; F409-K427 HydrophobicContact CZ-CG 4.17Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 2.99Å; K427-I430 PolarHBondContact O-N 2.84Å; K427-L431 WeakPolarHBondContact O-CG 3.43Å; K427-L431 PolarHBondContact O-N 2.83Å; K427-L431 VanDerWaalsContact O-N 3.08Å
428V98.3Very high96Very high102 Ų10276.3 Ų76.362%0.61843%0.433SS*.Hα-helixtrans-63-39.8178.669.70000111.5P426 I430 L431 T432P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 PolarHBondContact O-N 2.84Å; V428-I430 PolarHBondContact O-N 3.42Å; V428-L431 PolarHBondContact O-N 2.82Å; V428-T432 WeakPolarHBondContact O-CB 3.49Å; V428-T432 PolarHBondContact O-N 3.08Å; V428-T432 PolarHBondContact O-OG1 2.9Å
429A97.9Very high96.2Very high30 Ų3079.1 Ų79.125%0.24843%0.429CS..Hα-helixtrans-67.5-37.517700000111.9T425 P426 K427 L431 T432 R433T425-A429 HydrophobicContact CG2-CB 4.01Å; P426-A429 HydrophobicContact CG-CB 3.7Å; P426-A429 WeakPolarHBondContact O-CB 3.36Å; P426-A429 PolarHBondContact O-N 3.29Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 2.99Å; A429-L431 VanDerWaalsContact C-N 3.33Å; A429-L431 PolarHBondContact O-N 3.43Å; A429-T432 PolarHBondContact O-N 2.98Å; A429-R433 VanDerWaalsContact O-CB 3.32Å; A429-R433 WeakPolarHBondContact O-CB 3.42Å; A429-R433 VanDerWaalsContact O-CG 3.25Å; A429-R433 WeakPolarHBondContact O-CG 3.45Å; A429-R433 PolarHBondContact O-N 3.21Å
430I98.3Very high96.3Very high6 Ų683.9 Ų83.93%0.03145%0.451CS..Hα-helixtrans-58.1-48.1173.2-60.5169.2000109.8F409 L412 R413 I416 T425 P426 K427 V428 A434F409-I430 HydrophobicContact CB-CD1 4.41Å; F409-I430 HydrophobicContact CD1-CB 4.31Å; F409-I430 HydrophobicContact CD1-CD1 4.03Å; F409-I430 HydrophobicContact CD1-CG2 4.21Å; L412-I430 HydrophobicContact CB-CG2 4.25Å; L412-I430 HydrophobicContact CD2-CG2 3.77Å; L412-I430 HydrophobicContact CG-CG2 3.78Å; R413-I430 HydrophobicContact CB-CD1 3.97Å; R413-I430 HydrophobicContact CB-CG1 4.15Å; R413-I430 HydrophobicContact CB-CG2 4.32Å; R413-I430 HydrophobicContact CG-CD1 4.34Å; R413-I430 HydrophobicContact CG-CG1 4.28Å; I416-I430 HydrophobicContact CD1-CG2 3.95Å; I416-I430 WeakPolarHBondContact CD1-O 3.38Å; T425-I430 HydrophobicContact CG2-CD1 4.48Å; T425-I430 HydrophobicContact CG2-CG1 3.68Å; P426-I430 PolarHBondContact O-N 3.23Å; P426-I430 VanDerWaalsContact O-N 3.13Å; K427-I430 PolarHBondContact O-N 2.84Å; V428-I430 PolarHBondContact O-N 3.42Å; I430-A434 WeakPolarHBondContact O-CB 3.48Å; I430-A434 PolarHBondContact O-N 2.84Å
431L98.6Very high96.6Very high85 Ų8585.7 Ų85.745%0.44545%0.454SS..Hα-helixtrans-66.1-43.6-179.6-63.1176.7000112.7F409 L412 K427 V428 A429 A434 T435F409-L431 HydrophobicContact CE1-CD1 4.29Å; F409-L431 HydrophobicContact CE1-CD2 3.81Å; F409-L431 HydrophobicContact CE1-CG 3.89Å; F409-L431 HydrophobicContact CZ-CD1 4.33Å; F409-L431 HydrophobicContact CZ-CD2 4.25Å; F409-L431 HydrophobicContact CZ-CG 4.39Å; L412-L431 HydrophobicContact CD2-CD2 4.25Å; K427-L431 WeakPolarHBondContact O-CG 3.43Å; K427-L431 PolarHBondContact O-N 2.83Å; K427-L431 VanDerWaalsContact O-N 3.08Å; V428-L431 PolarHBondContact O-N 2.82Å; A429-L431 VanDerWaalsContact C-N 3.33Å; A429-L431 PolarHBondContact O-N 3.43Å; L431-A434 PolarHBondContact O-N 3.17Å; L431-T435 PolarHBondContact O-N 3.27Å; L431-T435 PolarHBondContact O-OG1 3.16Å
432T98.4Very high96.9Very high68 Ų6883.5 Ų83.542%0.41744%0.439SS..Hα-helixtrans-61-50.8178.1-60.30000110.4V428 A429 A434 T435 E436V428-T432 WeakPolarHBondContact O-CB 3.49Å; V428-T432 PolarHBondContact O-N 3.08Å; V428-T432 PolarHBondContact O-OG1 2.9Å; A429-T432 PolarHBondContact O-N 2.98Å; T432-A434 PolarHBondContact O-N 3.25Å; T432-T435 PolarHBondContact O-N 2.92Å; T432-E436 WeakPolarHBondContact O-CG 3.42Å; T432-E436 PolarHBondContact O-N 3.46Å
433R98.3Very high97.3Very high130 Ų13084.4 Ų84.449%0.49144%0.443SS..Hα-helixtrans-67.3-36179.7-66.5-58.1-162.4178.45.5112.9I416 L419 A429 T435 E436 Y437I416-R433 HydrophobicContact CG2-CB 3.91Å; L419-R433 HydrophobicContact CD1-CB 3.66Å; L419-R433 HydrophobicContact CD1-CG 3.87Å; L419-R433 HydrophobicContact CD2-CG 4.46Å; L419-R433 HydrophobicContact CG-CB 4.47Å; L419-R433 HydrophobicContact CG-CG 4.42Å; A429-R433 VanDerWaalsContact O-CB 3.32Å; A429-R433 WeakPolarHBondContact O-CB 3.42Å; A429-R433 VanDerWaalsContact O-CG 3.25Å; A429-R433 WeakPolarHBondContact O-CG 3.45Å; A429-R433 PolarHBondContact O-N 3.21Å; R433-T435 VanDerWaalsContact C-N 3.28Å; R433-T435 PolarHBondContact O-N 2.96Å; R433-E436 VanDerWaalsContact CD-OE2 3.28Å; R433-E436 WeakPolarHBondContact CD-OE2 3.5Å; R433-E436 IonicContact CZ-OE2 3.75Å; R433-E436 IonicContact NE-OE2 2.81Å; R433-E436 IonicContact NH1-OE2 3.82Å; R433-E436 PolarHBondContact NH1-OE2 3.09Å; R433-E436 PolarHBondContact O-N 3.44Å; R433-Y437 VanDerWaalsContact O-CB 3.23Å; R433-Y437 WeakPolarHBondContact O-CB 3.28Å; R433-Y437 PolarHBondContact O-N 2.92Å
434A98.6Very high97.9Very high21 Ų2182.2 Ų82.217%0.17442%0.424CS..Hα-helixtrans-58.5-44.1173.300000111.2L412 I416 I430 L431 T432 Y437 L438L412-A434 HydrophobicContact CD1-CB 4.1Å; L412-A434 HydrophobicContact CD2-CB 4.27Å; L412-A434 HydrophobicContact CG-CB 4.41Å; I416-A434 HydrophobicContact CD1-CB 3.71Å; I416-A434 HydrophobicContact CG1-CB 4.37Å; I430-A434 WeakPolarHBondContact O-CB 3.48Å; I430-A434 PolarHBondContact O-N 2.84Å; L431-A434 PolarHBondContact O-N 3.17Å; T432-A434 PolarHBondContact O-N 3.25Å; A434-Y437 PolarHBondContact O-N 3.2Å; A434-L438 WeakPolarHBondContact O-CB 3.46Å; A434-L438 PolarHBondContact O-N 3.02Å
435T98.6Very high98.3Very high82 Ų8278.5 Ų78.550%0.50341%0.41SS..Hα-helixtrans-66.8-45.3-179.6-54.20000111.3L431 T432 R433 Y437 L438 Q439L431-T435 PolarHBondContact O-N 3.27Å; L431-T435 PolarHBondContact O-OG1 3.16Å; T432-T435 PolarHBondContact O-N 2.92Å; R433-T435 VanDerWaalsContact C-N 3.28Å; R433-T435 PolarHBondContact O-N 2.96Å; T435-Y437 VanDerWaalsContact C-N 3.33Å; T435-Y437 PolarHBondContact O-N 3.15Å; T435-L438 PolarHBondContact O-N 3.12Å; T435-Q439 WeakPolarHBondContact O-CG 3.28Å; T435-Q439 PolarHBondContact O-N 3.48Å; T435-Q439 VanDerWaalsContact O-N 3.14Å
436E98.4Very high98.4Very high69 Ų6984.7 Ų84.732%0.32244%0.435SS..Hα-helixtrans-59.1-45.3174.1-71172.1-173.400111.3T432 R433 Q439 Q440T432-E436 WeakPolarHBondContact O-CG 3.42Å; T432-E436 PolarHBondContact O-N 3.46Å; R433-E436 VanDerWaalsContact CD-OE2 3.28Å; R433-E436 WeakPolarHBondContact CD-OE2 3.5Å; R433-E436 IonicContact CZ-OE2 3.75Å; R433-E436 IonicContact NE-OE2 2.81Å; R433-E436 IonicContact NH1-OE2 3.82Å; R433-E436 PolarHBondContact NH1-OE2 3.09Å; R433-E436 PolarHBondContact O-N 3.44Å; E436-Q439 PolarHBondContact O-N 3.1Å; E436-Q440 WeakPolarHBondContact O-CG 3.49Å; E436-Q440 PolarHBondContact O-N 2.82Å
437Y98.6Very high98.5Very high74 Ų7486.8 Ų86.829%0.2944%0.438SS..Hα-helixtrans-65.4-41.2-179.5-176.5-132.8000112E415 P417 R433 A434 T435 Q439 Q440 L441E415-Y437 WeakPolarHBondContact O-CE1 3.2Å; P417-Y437 VanDerWaalsContact CD-CZ 3.49Å; P417-Y437 HydrophobicContact CG-CD2 4.19Å; P417-Y437 HydrophobicContact CG-CE1 4.2Å; P417-Y437 HydrophobicContact CG-CE2 3.63Å; R433-Y437 VanDerWaalsContact O-CB 3.23Å; R433-Y437 WeakPolarHBondContact O-CB 3.28Å; R433-Y437 PolarHBondContact O-N 2.92Å; A434-Y437 PolarHBondContact O-N 3.2Å; T435-Y437 VanDerWaalsContact C-N 3.33Å; T435-Y437 PolarHBondContact O-N 3.15Å; Y437-Q439 VanDerWaalsContact C-N 3.35Å; Y437-Q439 PolarHBondContact O-N 3.38Å; Y437-Q440 WeakPolarHBondContact O-CB 3.5Å; Y437-Q440 PolarHBondContact O-N 3Å; Y437-L441 HydrophobicContact CD1-CD1 4.07Å; Y437-L441 HydrophobicContact CD2-CG 4.23Å; Y437-L441 HydrophobicContact CE1-CD1 3.71Å; Y437-L441 HydrophobicContact CE1-CG 4.33Å; Y437-L441 HydrophobicContact CE2-CD1 4.18Å; Y437-L441 HydrophobicContact CE2-CD2 3.94Å; Y437-L441 HydrophobicContact CE2-CG 3.88Å; Y437-L441 HydrophobicContact CG-CD1 4.46Å; Y437-L441 WeakPolarHBondContact O-CG 3.49Å; Y437-L441 PolarHBondContact O-N 3.33Å
438L98.6Very high98.5Very high97 Ų9788.9 Ų88.951%0.50845%0.447SS..Hα-helixtrans-58.9-45.1174.6-16981.8000111.7A434 T435 Q440 L441 H442A434-L438 WeakPolarHBondContact O-CB 3.46Å; A434-L438 PolarHBondContact O-N 3.02Å; T435-L438 PolarHBondContact O-N 3.12Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.26Å; L438-L441 PolarHBondContact O-N 3.46Å; L438-H442 PolarHBondContact O-CD2 2.88Å; L438-H442 PolarHBondContact O-N 3.41Å
439Q98.6Very high98.5Very high125 Ų12586.2 Ų86.258%0.58443%0.431SS*.Hα-helixtrans-62-39.6177.2-70.8175.9-3.900112.2T435 E436 Y437 T443T435-Q439 WeakPolarHBondContact O-CG 3.28Å; T435-Q439 PolarHBondContact O-N 3.48Å; T435-Q439 VanDerWaalsContact O-N 3.14Å; E436-Q439 PolarHBondContact O-N 3.1Å; Y437-Q439 VanDerWaalsContact C-N 3.35Å; Y437-Q439 PolarHBondContact O-N 3.38Å; Q439-T443 PolarHBondContact O-N 3.28Å; Q439-T443 VanDerWaalsContact O-N 3.12Å; Q439-T443 PolarHBondContact O-OG1 3.42Å
440Q98.6Very high98.6Very high119 Ų11989.8 Ų89.856%0.55644%0.443SS*.Hα-helixtrans-64.2-46175.1-69.4170.220.900111.3E436 Y437 L438 H442 T443 A444E436-Q440 WeakPolarHBondContact O-CG 3.49Å; E436-Q440 PolarHBondContact O-N 2.82Å; Y437-Q440 WeakPolarHBondContact O-CB 3.5Å; Y437-Q440 PolarHBondContact O-N 3Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.26Å; Q440-H442 PolarHBondContact O-N 3.49Å; Q440-T443 PolarHBondContact O-N 3.05Å; Q440-A444 WeakPolarHBondContact O-CB 3.43Å; Q440-A444 PolarHBondContact O-N 2.97Å
441L98.6Very high98.6Very high79 Ų7994.8 Ų94.841%0.41447%0.466SS..Hα-helixtrans-59.4-45.3177.4-73.3176.7000111.9Y437 L438 T443 A444 E445Y437-L441 HydrophobicContact CD1-CD1 4.07Å; Y437-L441 HydrophobicContact CD2-CG 4.23Å; Y437-L441 HydrophobicContact CE1-CD1 3.71Å; Y437-L441 HydrophobicContact CE1-CG 4.33Å; Y437-L441 HydrophobicContact CE2-CD1 4.18Å; Y437-L441 HydrophobicContact CE2-CD2 3.94Å; Y437-L441 HydrophobicContact CE2-CG 3.88Å; Y437-L441 HydrophobicContact CG-CD1 4.46Å; Y437-L441 WeakPolarHBondContact O-CG 3.49Å; Y437-L441 PolarHBondContact O-N 3.33Å; L438-L441 PolarHBondContact O-N 3.46Å; L441-T443 VanDerWaalsContact C-N 3.3Å; L441-T443 PolarHBondContact O-N 3.08Å; L441-A444 PolarHBondContact O-N 2.86Å; L441-E445 WeakPolarHBondContact O-CB 3.29Å; L441-E445 PolarHBondContact O-N 2.87Å
442H98.7Very high98.6Very high110 Ų11096.4 Ų96.451%0.50947%0.466SS..Hα-helixtrans-60.4-40.9176.8-76.4-145.2000111.9L438 Q440 K446L438-H442 PolarHBondContact O-CD2 2.88Å; L438-H442 PolarHBondContact O-N 3.41Å; Q440-H442 PolarHBondContact O-N 3.49Å; H442-K446 PolarHBondContact O-N 3.45Å; H442-K446 VanDerWaalsContact O-N 3.09Å
443T98.7Very high98.6Very high79 Ų7997.3 Ų97.349%0.48546%0.464SS..Hα-helixtrans-66.2-44.6178-56.20000110.9Q439 Q440 L441 K446 Q447Q439-T443 PolarHBondContact O-N 3.28Å; Q439-T443 VanDerWaalsContact O-N 3.12Å; Q439-T443 PolarHBondContact O-OG1 3.42Å; Q440-T443 PolarHBondContact O-N 3.05Å; L441-T443 VanDerWaalsContact C-N 3.3Å; L441-T443 PolarHBondContact O-N 3.08Å; T443-K446 PolarHBondContact O-N 2.93Å; T443-Q447 WeakPolarHBondContact O-CG 3.36Å; T443-Q447 PolarHBondContact O-N 3.32Å
444A98.6Very high98.6Very high37 Ų3796.6 Ų96.631%0.30647%0.466SS..Hα-helixtrans-64.7-40.5177.900000112.2Q440 L441 Q447 K448Q440-A444 WeakPolarHBondContact O-CB 3.43Å; Q440-A444 PolarHBondContact O-N 2.97Å; L441-A444 PolarHBondContact O-N 2.86Å; A444-Q447 PolarHBondContact O-N 3.26Å; A444-K448 WeakPolarHBondContact O-CB 3.38Å; A444-K448 WeakPolarHBondContact O-CG 3.24Å; A444-K448 PolarHBondContact O-N 3.5Å
445E98.6Very high98.6Very high127 Ų127100.1 Ų100.159%0.59348%0.482SS*.Hα-helixtrans-60.4-46.2175.2-178.2-178.5-152.700111.5L441 Q447 K448 T449L441-E445 WeakPolarHBondContact O-CB 3.29Å; L441-E445 PolarHBondContact O-N 2.87Å; E445-Q447 PolarHBondContact O-N 3.34Å; E445-K448 PolarHBondContact O-N 3.39Å; E445-T449 VanDerWaalsContact O-CB 3.31Å; E445-T449 WeakPolarHBondContact O-CB 3.39Å; E445-T449 PolarHBondContact O-N 2.8Å; E445-T449 PolarHBondContact O-OG1 3.3Å
446K98.6Very high98.6Very high156 Ų156100.9 Ų100.968%0.67848%0.478SS*.Hα-helixtrans-60.7-44.1176.7-175178.2178.9179.20111.8H442 T443 T449 Q450H442-K446 PolarHBondContact O-N 3.45Å; H442-K446 VanDerWaalsContact O-N 3.09Å; T443-K446 PolarHBondContact O-N 2.93Å; K446-T449 PolarHBondContact O-N 3.17Å; K446-Q450 WeakPolarHBondContact O-CB 3.41Å; K446-Q450 PolarHBondContact O-N 2.95Å
447Q98.6Very high98.6Very high123 Ų123100.5 Ų100.558%0.57549%0.487SS*.Hα-helixtrans-62.4-51.1177.7-73.6176.91.700111.7T443 A444 E445 T449 Q450 E451T443-Q447 WeakPolarHBondContact O-CG 3.36Å; T443-Q447 PolarHBondContact O-N 3.32Å; A444-Q447 PolarHBondContact O-N 3.26Å; E445-Q447 PolarHBondContact O-N 3.34Å; Q447-T449 PolarHBondContact O-N 2.87Å; Q447-Q450 WeakPolarHBondContact O-CB 3.43Å; Q447-Q450 PolarHBondContact O-N 2.92Å; Q447-Q450 VanDerWaalsContact O-N 3.1Å; Q447-E451 PolarHBondContact O-N 3.41Å
448K98.6Very high98.6Very high148 Ų148104.9 Ų104.964%0.64350%0.503SS*.Hα-helixtrans-59.1-38.2177.1-74.6-178.2178.1178.90111.9A444 E445 E451 R452A444-K448 WeakPolarHBondContact O-CB 3.38Å; A444-K448 WeakPolarHBondContact O-CG 3.24Å; A444-K448 PolarHBondContact O-N 3.5Å; E445-K448 PolarHBondContact O-N 3.39Å; K448-E451 PolarHBondContact O-N 3.23Å; K448-R452 VanDerWaalsContact O-CB 3.31Å; K448-R452 WeakPolarHBondContact O-CB 3.47Å; K448-R452 PolarHBondContact O-N 3.14Å
449T98.4Very high98.6Very high46 Ų46105.9 Ų105.928%0.28251%0.505SS..Hα-helixtrans-64.7-43.1176.1-62.30000111.7E445 K446 Q447 R452 K453E445-T449 VanDerWaalsContact O-CB 3.31Å; E445-T449 WeakPolarHBondContact O-CB 3.39Å; E445-T449 PolarHBondContact O-N 2.8Å; E445-T449 PolarHBondContact O-OG1 3.3Å; K446-T449 PolarHBondContact O-N 3.17Å; Q447-T449 PolarHBondContact O-N 2.87Å; T449-R452 PolarHBondContact O-N 3.31Å; T449-K453 WeakPolarHBondContact O-CG 3.42Å; T449-K453 PolarHBondContact O-N 2.97Å; T449-K453 VanDerWaalsContact O-N 3.09Å
450Q98.7Very high98.6Very high105 Ų105105.8 Ų105.849%0.49151%0.508SS..Hα-helixtrans-64.8-44.9176.4-179.5175.4-7.100111.7K446 Q447 R452 K453 Q454K446-Q450 WeakPolarHBondContact O-CB 3.41Å; K446-Q450 PolarHBondContact O-N 2.95Å; Q447-Q450 WeakPolarHBondContact O-CB 3.43Å; Q447-Q450 PolarHBondContact O-N 2.92Å; Q447-Q450 VanDerWaalsContact O-N 3.1Å; Q450-R452 PolarHBondContact O-N 2.76Å; Q450-K453 WeakPolarHBondContact O-CB 3.49Å; Q450-K453 PolarHBondContact O-N 2.81Å; Q450-Q454 WeakPolarHBondContact O-CG 3.46Å; Q450-Q454 PolarHBondContact O-N 2.9Å
451E98.6Very high98.6Very high110 Ų110106.6 Ų106.651%0.51451%0.511SS..Hα-helixtrans-59.6-46.4175.9-175.8-178.8-175.400111Q447 K448 K453 Q454 L455Q447-E451 PolarHBondContact O-N 3.41Å; K448-E451 PolarHBondContact O-N 3.23Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 2.82Å; E451-Q454 WeakPolarHBondContact O-CB 3.39Å; E451-Q454 PolarHBondContact O-N 2.78Å; E451-Q454 VanDerWaalsContact O-N 3.09Å; E451-L455 HydrophobicContact CG-CD1 3.95Å; E451-L455 HydrophobicContact CG-CG 4.27Å; E451-L455 WeakPolarHBondContact O-CB 3.44Å; E451-L455 WeakPolarHBondContact O-CG 3.25Å; E451-L455 PolarHBondContact O-N 3.14Å
452R98.6Very high98.6Very high119 Ų119107 Ų10745%0.44951%0.513SS..Hα-helixtrans-55.3-43.2175.1-176.4176.266.7166.34.6111.8K448 T449 Q450 K456K448-R452 VanDerWaalsContact O-CB 3.31Å; K448-R452 WeakPolarHBondContact O-CB 3.47Å; K448-R452 PolarHBondContact O-N 3.14Å; T449-R452 PolarHBondContact O-N 3.31Å; Q450-R452 PolarHBondContact O-N 2.76Å; R452-K456 WeakPolarHBondContact O-CB 3.35Å; R452-K456 WeakPolarHBondContact O-CG 3.49Å; R452-K456 PolarHBondContact O-N 3.3Å
453K98.6Very high98.6Very high88 Ų88106.2 Ų106.238%0.38351%0.513SS..Hα-helixtrans-63.6-44.9176-70.9-178.4-174.8-169.10111.8T449 Q450 E451 K456 A457T449-K453 WeakPolarHBondContact O-CG 3.42Å; T449-K453 PolarHBondContact O-N 2.97Å; T449-K453 VanDerWaalsContact O-N 3.09Å; Q450-K453 WeakPolarHBondContact O-CB 3.49Å; Q450-K453 PolarHBondContact O-N 2.81Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 2.82Å; K453-K456 PolarHBondContact O-N 3.47Å; K453-A457 WeakPolarHBondContact O-CB 3.39Å; K453-A457 PolarHBondContact O-N 3.42Å
454Q98.7Very high98.6Very high114 Ų114108.2 Ų108.253%0.53352%0.517SS..Hα-helixtrans-62.7-43.8178.2-70.4174.7400112Q450 E451 A457 R458Q450-Q454 WeakPolarHBondContact O-CG 3.46Å; Q450-Q454 PolarHBondContact O-N 2.9Å; E451-Q454 WeakPolarHBondContact O-CB 3.39Å; E451-Q454 PolarHBondContact O-N 2.78Å; E451-Q454 VanDerWaalsContact O-N 3.09Å; Q454-A457 PolarHBondContact O-N 3.04Å; Q454-R458 WeakPolarHBondContact O-CB 3.32Å; Q454-R458 PolarHBondContact O-N 3.41Å
455L98.8Very high98.5Very high96 Ų96114.3 Ų114.350%0.50353%0.532SS..Hα-helixtrans-65.7-42.4178.1-69.2176.2000111.7E451 A457 R458 Q459E451-L455 HydrophobicContact CG-CD1 3.95Å; E451-L455 HydrophobicContact CG-CG 4.27Å; E451-L455 WeakPolarHBondContact O-CB 3.44Å; E451-L455 WeakPolarHBondContact O-CG 3.25Å; E451-L455 PolarHBondContact O-N 3.14Å; L455-A457 PolarHBondContact O-N 3.18Å; L455-R458 PolarHBondContact O-N 3.21Å; L455-Q459 WeakPolarHBondContact O-CB 3.37Å; L455-Q459 PolarHBondContact O-N 3.14Å
456K98.5Very high98.5Very high98 Ų98113 Ų11343%0.42653%0.528SS..Hα-helixtrans-59.6-45.2173.3-77.9-176.3176.6-172.80111.6D90 R452 K453 R458 Q459 L460D90-K456 IonicContact OD2-NZ 3.92Å; R452-K456 WeakPolarHBondContact O-CB 3.35Å; R452-K456 WeakPolarHBondContact O-CG 3.49Å; R452-K456 PolarHBondContact O-N 3.3Å; K453-K456 PolarHBondContact O-N 3.47Å; K456-R458 PolarHBondContact O-N 3.5Å; K456-Q459 WeakPolarHBondContact O-CB 3.29Å; K456-Q459 PolarHBondContact O-N 3.47Å; K456-L460 PolarHBondContact O-N 3.23Å
457A98.6Very high98.5Very high61 Ų61107.5 Ų107.550%0.50451%0.512SS..Hα-helixtrans-61.9-43.8177.400000111.9K453 Q454 L455 L460 Q461K453-A457 WeakPolarHBondContact O-CB 3.39Å; K453-A457 PolarHBondContact O-N 3.42Å; Q454-A457 PolarHBondContact O-N 3.04Å; L455-A457 PolarHBondContact O-N 3.18Å; A457-L460 PolarHBondContact O-N 3.21Å; A457-Q461 PolarHBondContact O-N 3.41Å
458R98.6Very high98.4Very high165 Ų165107.2 Ų107.262%0.62351%0.51SS*.Hα-helixtrans-64-41.6176.1-174.1176.3-178.5-179.60.3111.9Q454 L455 K456 L460 Q461 L462Q454-R458 WeakPolarHBondContact O-CB 3.32Å; Q454-R458 PolarHBondContact O-N 3.41Å; L455-R458 PolarHBondContact O-N 3.21Å; K456-R458 PolarHBondContact O-N 3.5Å; R458-L460 VanDerWaalsContact C-N 3.34Å; R458-Q461 PolarHBondContact O-N 3.11Å; R458-L462 HydrophobicContact CG-CD1 4.18Å; R458-L462 VanDerWaalsContact O-CG 3.28Å; R458-L462 WeakPolarHBondContact O-CG 3.46Å; R458-L462 PolarHBondContact O-N 3.26Å
459Q98.5Very high98.3Very high119 Ų119105.1 Ų105.156%0.55651%0.506SS*.Hα-helixtrans-58.7-47.5175.7-177.6-17512.300110.7L455 K456 Q461 L462 L463L455-Q459 WeakPolarHBondContact O-CB 3.37Å; L455-Q459 PolarHBondContact O-N 3.14Å; K456-Q459 WeakPolarHBondContact O-CB 3.29Å; K456-Q459 PolarHBondContact O-N 3.47Å; Q459-Q461 PolarHBondContact O-N 3.46Å; Q459-L462 PolarHBondContact O-N 3.31Å; Q459-L463 HydrophobicContact CG-CD1 4.24Å; Q459-L463 WeakPolarHBondContact O-CG 3.46Å; Q459-L463 PolarHBondContact O-N 3.23Å
460L98.6Very high98.2Very high123 Ų123111.6 Ų111.664%0.64453%0.53SS*.Hα-helixtrans-60.4-45.1177.7-176.264.9000111.8K456 A457 R458 L462 L463 Q464K456-L460 PolarHBondContact O-N 3.23Å; A457-L460 PolarHBondContact O-N 3.21Å; R458-L460 VanDerWaalsContact C-N 3.34Å; L460-L462 VanDerWaalsContact C-N 3.32Å; L460-L462 PolarHBondContact O-N 3.27Å; L460-L463 PolarHBondContact O-N 3.41Å; L460-Q464 PolarHBondContact O-N 3.33Å
461Q98.6Very high97.8Very high135 Ų135117.1 Ų117.163%0.63155%0.547SS*.Hα-helixtrans-59.3-42.9176.6-176-173.1-1600112A457 R458 Q459 Q464 R465A457-Q461 PolarHBondContact O-N 3.41Å; R458-Q461 PolarHBondContact O-N 3.11Å; Q459-Q461 PolarHBondContact O-N 3.46Å; Q461-Q464 PolarHBondContact O-N 3.04Å; Q461-R465 PolarHBondContact O-N 3.46Å
462L98.6Very high96.9Very high87 Ų87118.4 Ų118.446%0.45557%0.568SS.*Hα-helixtrans-67.3-40.6178.3-70.4172.5000111.8R458 Q459 L460 R465 L466R458-L462 HydrophobicContact CG-CD1 4.18Å; R458-L462 VanDerWaalsContact O-CG 3.28Å; R458-L462 WeakPolarHBondContact O-CG 3.46Å; R458-L462 PolarHBondContact O-N 3.26Å; Q459-L462 PolarHBondContact O-N 3.31Å; L460-L462 VanDerWaalsContact C-N 3.32Å; L460-L462 PolarHBondContact O-N 3.27Å; L462-R465 PolarHBondContact O-N 3.09Å; L462-L466 WeakPolarHBondContact O-CG 3.24Å; L462-L466 PolarHBondContact O-N 2.8Å
463L98.3Very high96.8Very high95 Ų95118.4 Ų118.450%0.49757%0.574SS.*Hα-helixtrans-62-43.1174.9-72.7173000111.7Q459 L460 R465 L466 A467Q459-L463 HydrophobicContact CG-CD1 4.24Å; Q459-L463 WeakPolarHBondContact O-CG 3.46Å; Q459-L463 PolarHBondContact O-N 3.23Å; L460-L463 PolarHBondContact O-N 3.41Å; L463-R465 VanDerWaalsContact C-N 3.34Å; L463-R465 PolarHBondContact O-N 2.82Å; L463-L466 PolarHBondContact O-N 2.84Å; L463-A467 WeakPolarHBondContact O-CB 3.44Å; L463-A467 PolarHBondContact O-N 3.42Å
464Q98Very high96.7Very high120 Ų120120 Ų12056%0.56158%0.584SS**Hα-helixtrans-61-43.5175.3-172.5-178.87.700111.5L460 Q461 A467 Q468L460-Q464 PolarHBondContact O-N 3.33Å; Q461-Q464 PolarHBondContact O-N 3.04Å; Q464-A467 PolarHBondContact O-N 3.09Å; Q464-Q468 WeakPolarHBondContact O-CG 3.42Å; Q464-Q468 PolarHBondContact O-N 3.43Å
465R98.2Very high96.6Very high166 Ų166120.3 Ų120.363%0.62659%0.587SS**Hα-helixtrans-63.4-42.9176.6-173.1175.6-179.1172.80.5112Q461 L462 L463 A467 Q468 L469Q461-R465 PolarHBondContact O-N 3.46Å; L462-R465 PolarHBondContact O-N 3.09Å; L463-R465 VanDerWaalsContact C-N 3.34Å; L463-R465 PolarHBondContact O-N 2.82Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 2.87Å; R465-Q468 PolarHBondContact O-N 3.44Å; R465-L469 HydrophobicContact CG-CD1 4.25Å; R465-L469 WeakPolarHBondContact O-CG 3.24Å; R465-L469 PolarHBondContact O-N 2.94Å
466L98.3Very high96.5Very high99 Ų99121.8 Ų121.852%0.51859%0.591SS.*Hα-helixtrans-61.5-40.7174.7-75.7173.9000111.6L462 L463 L469 K470L462-L466 WeakPolarHBondContact O-CG 3.24Å; L462-L466 PolarHBondContact O-N 2.8Å; L463-L466 PolarHBondContact O-N 2.84Å; L466-L469 PolarHBondContact O-N 3.39Å; L466-K470 WeakPolarHBondContact O-CG 3.47Å; L466-K470 PolarHBondContact O-N 2.98Å
467A97.5Very high96.3Very high41 Ų41123.3 Ų123.334%0.33960%0.602SS.*Hα-helixtrans-64.5-38.9177.300000112.3L463 Q464 R465 K470 R471L463-A467 WeakPolarHBondContact O-CB 3.44Å; L463-A467 PolarHBondContact O-N 3.42Å; Q464-A467 PolarHBondContact O-N 3.09Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 2.87Å; A467-K470 PolarHBondContact O-N 3.22Å; A467-R471 WeakPolarHBondContact O-CG 3.15Å; A467-R471 PolarHBondContact O-N 3.42Å
468Q97.2Very high96.2Very high116 Ų116127.4 Ų127.454%0.54261%0.608SS.*Hα-helixtrans-64-46.7174.4-71.4172.4-3.700111.6Q464 R465 K470 R471 S472Q464-Q468 WeakPolarHBondContact O-CG 3.42Å; Q464-Q468 PolarHBondContact O-N 3.43Å; R465-Q468 PolarHBondContact O-N 3.44Å; Q468-K470 VanDerWaalsContact C-N 3.25Å; Q468-K470 PolarHBondContact O-N 3.22Å; Q468-R471 PolarHBondContact O-N 2.92Å; Q468-S472 PolarHBondContact O-N 3.05Å
469L97.3Very high96Very high104 Ų104124.7 Ų124.755%0.54561%0.607SS.*Hα-helixtrans-67.2-22.9179.8-69.8173.8000113.9R465 L466 S472R465-L469 HydrophobicContact CG-CD1 4.25Å; R465-L469 WeakPolarHBondContact O-CG 3.24Å; R465-L469 PolarHBondContact O-N 2.94Å; L466-L469 PolarHBondContact O-N 3.39Å; L469-S472 WeakPolarHBondContact CA-OG 3.43Å; L469-S472 PolarHBondContact O-OG 3.46Å
470K95.3Very high95.8Very high182 Ų182125.2 Ų125.279%0.79161%0.611SS**THydrogen-bonded Turntrans-79.9-17.6172.7-76.5-178.7175.8-174.90113.4L466 A467 Q468L466-K470 WeakPolarHBondContact O-CG 3.47Å; L466-K470 PolarHBondContact O-N 2.98Å; A467-K470 PolarHBondContact O-N 3.22Å; Q468-K470 VanDerWaalsContact C-N 3.25Å; Q468-K470 PolarHBondContact O-N 3.22Å
471R90.8Very high95.6Very high222 Ų222125.3 Ų125.384%0.83861%0.608SS**THydrogen-bonded Turntrans-94.3-24.6-179.6-70.5174.1-175.9-173.81.6112.6A467 Q468A467-R471 WeakPolarHBondContact O-CG 3.15Å; A467-R471 PolarHBondContact O-N 3.42Å; Q468-R471 PolarHBondContact O-N 2.92Å
472S79.2Confident95.3Very high137 Ų137124.5 Ų124.596%0.95861%0.606SS**  trans-76.30164.958.30000110.4Q468 L469Q468-S472 PolarHBondContact O-N 3.05Å; L469-S472 WeakPolarHBondContact CA-OG 3.43Å; L469-S472 PolarHBondContact O-OG 3.46Å

Retrieved 472 of 472 residues in 101.8 ms (Link to these results)