A0A096NAF0_PAPAN Loading...

NEDD4 binding protein 3

AlphaFold DB , UniProt , Accession A0A096NAF0, Species PAPAN (Papio anubis, Olive baboon), Gene N4BP3, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M38.9Very low41.4Very low252 Ų252121.1 Ų121.1100%1.24184%0.84SS**  0146.20-66.8179.3174.500107.9
2A39.9Very low41Very low89 Ų89125.7 Ų125.774%0.73684%0.843SS**  trans-146.9149.9-171.100000113
3T42.1Very low40.8Very low136 Ų136120.8 Ų120.883%0.83483%0.828SS**  trans49.1108.715454.60000120.3
4A39.6Very low40.7Very low99 Ų99121 Ų12182%0.81883%0.83SS**  -170.3123.1127.100000112.3
5P44.9Very low40.6Very low128 Ų128122.8 Ų122.883%0.83184%0.835SS**PPolyproline II helixtrans-94150.2155.134.7-29.5000111.4
6G41.6Very low40.7Very low70 Ų70119.5 Ų119.572%0.72283%0.828SS**PPolyproline II helixtrans-78.9165.5-178.500000115.1
7P48.6Very low40.5Very low135 Ų135118.5 Ų118.588%0.87782%0.821SS**PPolyproline II helixtrans-82.6159.7-167.933.5-36.9000115
8A39.7Very low40.3Very low94 Ų94121 Ų12178%0.77782%0.823SS**PPolyproline II helixtrans-79144-178.900000113.8
9G37.8Very low40.2Very low80 Ų80123.2 Ų123.283%0.82582%0.824SS**PPolyproline II helixtrans-80.9123.8163.500000110.8A11G9-A11 PolarHBondContact O-N 3.38Å
10I39.3Very low39.9Very low151 Ų151126.2 Ų126.277%0.77483%0.826SS**PPolyproline II helixtrans-79.8119.1180-62.7174.1000109.6M12I10-M12 PolarHBondContact O-N 3.26Å
11A42.8Very low39.6Very low98 Ų98130.8 Ų130.881%0.8183%0.827SS**  trans-77.1114.6173.200000110.6G9G9-A11 PolarHBondContact O-N 3.38Å
12M36.3Very low39.6Very low176 Ų176127.2 Ų127.287%0.86781%0.807SS**PPolyproline II helixtrans-89.4124.5170.6-75.4-67-70.200110I10I10-M12 PolarHBondContact O-N 3.26Å
13G38.5Very low39.5Very low63 Ų63129.9 Ų129.965%0.64981%0.808SS**PPolyproline II helixtrans-79.3165.3-168.900000115.7V15G13-V15 PolarHBondContact O-N 3.11Å
14S40.3Very low39.1Very low123 Ų123129.9 Ų129.986%0.8680%0.802SS**PPolyproline II helixtrans-68.2117.7171.4-177.50000110.9G16S14-G16 PolarHBondContact O-N 2.98Å
15V37.9Very low39.4Very low148 Ų148128.6 Ų128.690%0.89779%0.787SS**  trans-87.159.6179.7-163.40000110.3G13G13-V15 PolarHBondContact O-N 3.11Å
16G42.6Very low39.2Very low70 Ų70127.7 Ų127.772%0.72278%0.782SS**  trans-98.529.7-173.300000115.5S14S14-G16 PolarHBondContact O-N 2.98Å
17S37.7Very low39.3Very low102 Ų102131.3 Ų131.371%0.71378%0.78SS**  trans-161.4114.5173-172.60000112.7
18L36.2Very low39.1Very low164 Ų164131.1 Ų131.186%0.85977%0.767SS**  trans-161.168.3148.9-149.485.3000111.3
19L38.7Very low39.2Very low163 Ų163133.5 Ų133.585%0.85377%0.766SS**  trans-112.8115.9153.7-99.679.5000107.3R21L19-R21 PolarHBondContact O-N 3.03Å
20E35.1Very low39.4Very low182 Ų182139 Ų13985%0.8576%0.762SS**  trans-63.2128.4168-72173.8113.300109.1
21R34.1Very low39.6Very low224 Ų224136 Ų13685%0.84576%0.76SS**  trans-88.8114.1166.5-69.5-177.7176.5-174.6-1.8107.6L19L19-R21 PolarHBondContact O-N 3.03Å
22H37.8Very low39.5Very low177 Ų177135.5 Ų135.582%0.81976%0.756SS**  trans-83.8111.4158.3-112.3-86.2000107.5
23D37.5Very low39.7Very low144 Ų144134.8 Ų134.877%0.7775%0.754SS**  trans-74.3128.7173.9-64.4-47.5000109.6
24L34.8Very low39.8Very low136 Ų136136.5 Ų136.571%0.71276%0.762SS**  trans-119.9139172.5-68.6175.2000109.1
25S45Very low39.4Very low72 Ų72134 Ų13450%0.50376%0.757SS.*  trans-81.6154.7-170.966.40000112.7E27S25-E27 PolarHBondContact O-N 3.15Å
26P40.5Very low39.2Very low110 Ų110132.9 Ų132.971%0.71476%0.755SS**THydrogen-bonded Turntrans-78.934.7-171.133.6-38000114.9
27E44.2Very low39.2Very low145 Ų145138.8 Ų138.868%0.67876%0.764SS**THydrogen-bonded Turntrans-110.4-37.7176.9-62.3-163.1124.500113S25 L29 R30S25-E27 PolarHBondContact O-N 3.15Å; E27-L29 VanDerWaalsContact C-N 3.29Å; E27-L29 PolarHBondContact O-N 3.38Å; E27-R30 PolarHBondContact O-N 3.02Å
28E44.1Very low38.9Very low132 Ų132137.8 Ų137.862%0.61777%0.769SS**G310 helixtrans-64.9-29.5-175.2-60.4-171.7136.100113.4R30 A31E28-R30 PolarHBondContact O-N 2.84Å; E28-R30 VanDerWaalsContact O-N 3.13Å; E28-A31 PolarHBondContact O-N 2.66Å
29L42.1Very low39.2Very low143 Ų143135.8 Ų135.875%0.74977%0.769SS**G310 helixtrans-66-12.6179.9-77171.3000114.5E27E27-L29 VanDerWaalsContact C-N 3.29Å; E27-L29 PolarHBondContact O-N 3.38Å
30R42.4Very low39Very low197 Ų197140 Ų14074%0.74377%0.774SS**G310 helixtrans-82.4-18.8178.2-71.1-177.1173.9133.1-1114E27 E28E27-R30 PolarHBondContact O-N 3.02Å; E28-R30 PolarHBondContact O-N 2.84Å; E28-R30 VanDerWaalsContact O-N 3.13Å
31A43Very low39.2Very low88 Ų88139.6 Ų139.673%0.72777%0.772SS**G310 helixtrans-77.1-22.5-178.200000113.9E28E28-A31 PolarHBondContact O-N 2.66Å
32A40.8Very low39.9Very low87 Ų87135.3 Ų135.372%0.71977%0.773SS**G310 helixtrans-89.5-2.3-167.800000115.8
33L40.5Very low40.2Very low161 Ų161134.1 Ų134.184%0.84377%0.772SS**G310 helixtrans-119.45.6-172-68.7174.4000114.9
34A39.8Very low40.6Very low98 Ų98130.1 Ų130.181%0.8177%0.766SS**  trans-101.279.1177.800000111.7
35G32.1Very low41.1Very low72 Ų72131.7 Ų131.774%0.74277%0.774SS**  trans-161.6104.9177.500000112.1
36S34.9Very low41Very low124 Ų124137 Ų13787%0.86780%0.795SS**  trans-71.2159.3-169.4-163.90000114.4
37Q41.3Very low41.4Very low194 Ų194143.3 Ų143.391%0.90781%0.805SS**  trans-64.3153171.5-61.2-179.10.700112.1
38G32Very low41.4Very low80 Ų80146.4 Ų146.483%0.82582%0.816SS**  trans-153.4115.716400000110.3
39S43.2Very low41.1Very low122 Ų122143.7 Ų143.785%0.85382%0.824SS**  trans-84.7138.1179.355.10000111.4
40R34.2Very low41Very low252 Ų252144.8 Ų144.895%0.95183%0.83SS**  trans-154.5139.1163.9-121.6179.3-175.7-158.7-0.4111.7
41Q39.9Very low41.1Very low173 Ų173137.7 Ų137.781%0.80882%0.818SS**  trans-79.7150.1175.9-66.8-166.9-7.200111.7D43Q41-D43 PolarHBondContact O-N 2.93Å
42P46.8Very low41.3Very low134 Ų134140.9 Ų140.987%0.8782%0.817SS**  trans-94.783.4174.336.3-31.3000111
43D44.5Very low41.5Very low152 Ų152147.6 Ų147.681%0.81382%0.824SS**  trans-105.8138.6173.1-147.6-13.8000112.9Q41Q41-D43 PolarHBondContact O-N 2.93Å
44G45.6Very low41.8Very low61 Ų61146.6 Ų146.663%0.62982%0.815SS**  trans38.293.817000000121.3
45L46.7Very low42Very low168 Ų168148.3 Ų148.388%0.8881%0.81SS**  trans-160.654.8143.1-115.1168.5000116.4
46L41.7Very low42.6Very low183 Ų183151.8 Ų151.896%0.95881%0.805SS**  trans-121.787167-73.6178.6000112
47R50Low42.9Very low244 Ų244149.6 Ų149.692%0.92179%0.789SS**  trans-12755.3175.9-157.7-167.1-178.6-1581.6113.9
48K43.3Very low42.7Very low210 Ų210150.1 Ų150.191%0.91378%0.784SS**  trans-152.9117.2156.5-122.8170.5-177.6175.20110.3
49G38.9Very low43.1Very low75 Ų75152.6 Ų152.677%0.77378%0.778SS**PPolyproline II helixtrans-87141.8171.200000110.6
50L40Very low42.8Very low166 Ų166155 Ų15587%0.86978%0.776SS**PPolyproline II helixtrans-66.2142.5171.6-69.1166.8000110.5
51G43.2Very low42.9Very low48 Ų48151.9 Ų151.950%0.49577%0.769SS.*PPolyproline II helixtrans-83.2137.9-173.300000113R53G51-R53 PolarHBondContact O-N 3.1Å
52H47.5Very low42.8Very low154 Ų154149.5 Ų149.571%0.71377%0.769SS**THydrogen-bonded Turntrans-649.4179.5-105-101.7000115.9
53R45.7Very low42.1Very low229 Ų229152.6 Ų152.686%0.86477%0.769SS**THydrogen-bonded Turntrans-92.4-20.6-171.6-172.1171.6171.6-176.4-4.8113.9G51G51-R53 PolarHBondContact O-N 3.1Å
54E45.9Very low41.8Very low139 Ų139154.8 Ų154.865%0.6577%0.771SS**THydrogen-bonded Turntrans-86.4-9.6-173-72.3158.8-164.400114S57E54-S57 PolarHBondContact O-OG 2.91Å
55L45.2Very low41.1Very low135 Ų135159 Ų15971%0.70778%0.779SS**THydrogen-bonded Turntrans-88.4-9.4-178.4-75.8167.4000115
56F43.6Very low40.5Very low145 Ų145154.8 Ų154.864%0.63678%0.776SS**SBendtrans-105.1-4.8-173.3-72.6-73.6000115Y58F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 PolarHBondContact O-N 2.94Å
57S41.5Very low40.3Very low78 Ų78156.4 Ų156.455%0.54578%0.776SS.*THydrogen-bonded Turntrans-69.7-20.6-179.342.20000114.6E54E54-S57 PolarHBondContact O-OG 2.91Å
58Y38.2Very low39.5Very low204 Ų204150.2 Ų150.280%0.877%0.77SS**THydrogen-bonded Turntrans-95.310.2-169.3-70.1-78.6000115.7F56F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 PolarHBondContact O-N 2.94Å
59L40.2Very low38.8Very low132 Ų132146.8 Ų146.869%0.69177%0.767SS**  trans-121.526.6-172.7-68.7175.8000115.3F61L59-F61 PolarHBondContact O-N 3.3Å
60H37Very low38.7Very low174 Ų174152.8 Ų152.881%0.80677%0.771SS**  trans-89.695.5174-86.6-81.2000113.1
61F35.7Very low38.2Very low185 Ų185156.6 Ų156.681%0.81177%0.774SS**  trans-75.6138.6160.6-81.3-88.8000110.8L59 K63L59-F61 PolarHBondContact O-N 3.3Å; F61-K63 PolarHBondContact O-N 3.42Å
62P37.8Very low37.6Very low124 Ų124158.7 Ų158.781%0.80579%0.787SS**  trans-71117.4173.328.7-33.2000110.6K64P62-K64 PolarHBondContact O-N 3.43Å
63K31.3Very low37.2Very low198 Ų198157.3 Ų157.386%0.86179%0.791SS**  trans-78113.9178-155.7177.3-172.7-177.70109F61F61-K63 PolarHBondContact O-N 3.42Å
64K38Very low36.5Very low198 Ų198156.9 Ų156.986%0.86179%0.79SS**  trans-89.5114.5179.3-173.9177.8-177.1177.60110.1P62P62-K64 PolarHBondContact O-N 3.43Å
65D32.1Very low35.7Very low149 Ų149155.6 Ų155.680%0.79779%0.788SS**  trans-67.6133.8178.3-72.8-46000112.3
66G34.1Very low35.2Very low80 Ų80156.9 Ų156.983%0.82579%0.79SS**  trans-98.5120.2167.600000110.1
67K37.8Very low35.4Very low217 Ų217155.4 Ų155.494%0.94380%0.795SS**  trans-114.9146.7169.6-118.5169.2-177.4170.30110.4
68S31.7Very low35.1Very low114 Ų114156.3 Ų156.380%0.79781%0.807SS**  trans-87.9156.4-156.947.50000115.1
69T30.4Very low34.8Very low139 Ų139154 Ų15485%0.85381%0.809SS**  trans-59131.1177.3-29.20000112.9
70K36.3Very low34.4Very low200 Ų200158.9 Ų158.987%0.8782%0.819SS**  trans-134.9164.9151.2-76.5-163176.1-177.90110.2
71R30.1Very low34.2Very low247 Ų247153.9 Ų153.993%0.93281%0.809SS**  trans-76.3155.3-160.6-63.7173175.8160-3.7113.5
72A30.4Very low34Very low91 Ų91150.9 Ų150.975%0.75281%0.805SS**  trans-69.2167.7166.200000112
73P38.5Very low33.7Very low125 Ų125151.3 Ų151.381%0.81280%0.8SS**  -143.313899.337.5-23.4000117
74R30.9Very low33.8Very low220 Ų220151.7 Ų151.783%0.8380%0.798SS**  51.9120128.5-160176.3-177.2-1731.4122.6
75N29.9Very low33.4Very low113 Ų113151.4 Ų151.460%0.60479%0.793SS**  trans87.7132.6143.9-87.552.3000123.6
76E33.8Very low33.3Very low162 Ų162156.2 Ų156.276%0.75780%0.8SS**  trans68.6146.4150.9-60.1-37.89500123.4
77P48.2Very low33.1Very low113 Ų113159.3 Ų159.373%0.73479%0.793SS**  trans-99.3169.4-169.240.6-36.8000113.9
78A33.9Very low32.9Very low98 Ų98157.4 Ų157.481%0.8179%0.787SS**  trans-142.9131.815800000109.3
79D32.9Very low33.6Very low156 Ų156157.4 Ų157.483%0.83478%0.784SS**  trans-65.8148.7167.3-57-80.9000110.5
80Y32.8Very low33.9Very low233 Ų233162.3 Ų162.391%0.91479%0.787SS**  trans-148139.4134.3-135.2-90.3000113.2
81A31.1Very low33.6Very low70 Ų70157 Ų15758%0.57978%0.781SS**  trans-70.5146.2-171.600000113.8
82T31.2Very low33.8Very low121 Ų121148.8 Ų148.874%0.74277%0.773SS**  trans61.6127.5131.1-57.50000119.7
83L32.4Very low34Very low134 Ų134151.3 Ų151.370%0.70277%0.773SS**  -169.8148.2115.3-98.6177.9000113.8
84Y33.4Very low33.8Very low205 Ų205155.8 Ų155.880%0.80478%0.781SS**  trans59.687.1168.8-66.6-63.8000121.9
85Y29Very low33.9Very low193 Ų193149.8 Ų149.876%0.75777%0.772SS**  trans-33143.7136.4-116.2-125000115.3E87Y85-E87 HydrophobicContact CD1-CG 3.62Å; Y85-E87 HydrophobicContact CE1-CG 3.58Å
86R31.3Very low34.6Very low249 Ų249153.4 Ų153.494%0.9478%0.783SS**  trans-149.6135.4136.9-165171.7-170.8164.74.9109.4
87E29Very low34.6Very low146 Ų146152.6 Ų152.668%0.68279%0.789SS**  trans-87.1147.1-163.8-67.7171.2114.900115.3Y85Y85-E87 HydrophobicContact CD1-CG 3.62Å; Y85-E87 HydrophobicContact CE1-CG 3.58Å
88H33.2Very low34.1Very low177 Ų177152.3 Ų152.382%0.81979%0.79SS**  -5.5160.3127.4-64.3-50.6000118.3
89P46.9Very low34.5Very low114 Ų114155.7 Ų155.774%0.7479%0.793SS**  cis-145.5158.430.741.5-22.3000119.1
90R35.9Very low35.1Very low241 Ų241154.1 Ų154.191%0.90979%0.791SS**  -168.5106.8107.3-100.1-178.4-169.6-136.71.8110.5
91A31.3Very low35.4Very low90 Ų90151.7 Ų151.774%0.74479%0.788SS**  trans-78.4162.915900000109.8
92G33.2Very low35.7Very low74 Ų74158.7 Ų158.776%0.76380%0.8SS**  trans-156.659.6-177.900000110.6
93D36.2Very low35.9Very low143 Ų143156.8 Ų156.877%0.76580%0.804SS**  trans-66.7134.5179.7-64.6-67000111.8
94F32.8Very low36.6Very low220 Ų220160.7 Ų160.797%0.96581%0.81SS**  trans-130.2132.6151.4-91.3-78.7000109.6
95S32.9Very low36.8Very low94 Ų94160.8 Ų160.866%0.65781%0.814SS**  trans-118.6141.2-166.5-154.70000111.3
96K44.5Very low37.2Very low188 Ų188158 Ų15882%0.81781%0.812SS**  trans54.9114.4159-62.7164.3-175.5174.30118.2
97T35.3Very low37.7Very low146 Ų146155.7 Ų155.790%0.89681%0.809SS**  175.9152.2119.727.90000108.4
98S36.7Very low38.3Very low106 Ų106153.9 Ų153.974%0.74181%0.812SS**  cis-145.7160-9.850.90000109.3
99L42.2Very low39.2Very low169 Ų169157.2 Ų157.289%0.88582%0.817SS**  trans-107.3129.4171.3-76.9171000109.7
100P46.2Very low38.9Very low123 Ų123158.6 Ų158.680%0.79982%0.817SS**  trans-73.8139.1162.8-15.531000111
101E38.1Very low39.5Very low182 Ų182158.2 Ų158.285%0.8582%0.815SS**  trans-79.5133178.1-70.7-17289.400113.4G103E101-G103 PolarHBondContact O-N 3.44Å; E101-G103 VanDerWaalsContact O-N 3.1Å
102R38.6Very low39.9Very low218 Ų218160 Ų16082%0.82382%0.82SS**  51.646129.3-150.8-175.6-168.5-178.14.6118.8
103G35Very low40.2Very low80 Ų80161.4 Ų161.483%0.82582%0.817SS**  trans-68128.1160.500000112.1E101E101-G103 PolarHBondContact O-N 3.44Å; E101-G103 VanDerWaalsContact O-N 3.1Å
104R46.6Very low40.6Very low217 Ų217160.6 Ų160.682%0.81982%0.817SS**  trans-91.7130.9164.6-62-179.4-172.5-99.59.4108.8
105F38.7Very low40.8Very low207 Ų207159.7 Ų159.791%0.90881%0.813SS**  trans-155.4167.7154.6-99.4-64000111
106D37.2Very low41.1Very low133 Ų133164.9 Ų164.971%0.71182%0.824SS**  trans-84.7156.6-150.1-68.1-80.2000117.1C108D106-C108 VanDerWaalsContact C-N 3.29Å; D106-C108 PolarHBondContact O-N 2.94Å
107K41.1Very low41Very low202 Ų202162.2 Ų162.288%0.87883%0.826SS**  trans-79.175.7173.3-63.7178.3-176174.10110.1R109K107-R109 PolarHBondContact O-N 3.36Å
108C41.2Very low41Very low108 Ų108161.6 Ų161.673%0.7382%0.822SS**  trans-5896.5174.9-69.60000111.6D106 I110D106-C108 VanDerWaalsContact C-N 3.29Å; D106-C108 PolarHBondContact O-N 2.94Å; C108-I110 VanDerWaalsContact C-N 3.31Å; C108-I110 PolarHBondContact O-N 3.37Å
109R52.1Low41.4Very low247 Ų247161.8 Ų161.893%0.93283%0.83SS**  trans-73.480.5173.1-80.5179.9158.6-173.9-4.6110.1K107K107-R109 PolarHBondContact O-N 3.36Å
110I41.5Very low41.1Very low143 Ų143157.1 Ų157.173%0.73382%0.822SS**  trans-114.6103.3170.5-55.7-179000109C108C108-I110 VanDerWaalsContact C-N 3.31Å; C108-I110 PolarHBondContact O-N 3.37Å
111R48.2Very low40.8Very low232 Ų232159.7 Ų159.788%0.87583%0.83SS**  trans-102.2113.7163.2-90.6-174.5165.3-168.6-4.1108.1S113R111-S113 PolarHBondContact O-N 2.95Å; R111-S113 VanDerWaalsContact O-N 3.11Å
112P40.6Very low40.7Very low129 Ų129154.4 Ų154.484%0.83882%0.824SS**  trans-71.399.2158.6-10.527.4000107.8
113S38.4Very low41.1Very low102 Ų102154 Ų15471%0.71383%0.828SS**  trans-135.494.5172.5-172.60000108.6R111R111-S113 PolarHBondContact O-N 2.95Å; R111-S113 VanDerWaalsContact O-N 3.11Å
114V44.1Very low41.2Very low127 Ų127153.6 Ų153.677%0.7782%0.823SS**  trans-118.6103.4172.6176.40000106.6
115F38.7Very low40.7Very low200 Ų200152.7 Ų152.788%0.87783%0.826SS**  trans177.194.7142.6-86.1-53.4000108.1
116K38.4Very low40.6Very low204 Ų204151.5 Ų151.589%0.88783%0.828SS**  trans-113.8121.1159.6-88.9-168.4171.8-172.20107.5T118K116-T118 PolarHBondContact O-N 3.47Å
117P41.3Very low40.8Very low131 Ų131149.7 Ų149.785%0.85183%0.825SS**  trans-67126.4167-17.431.5000109.7
118T36.4Very low40.6Very low134 Ų134147 Ų14782%0.82282%0.818SS**  trans-72.5135.2170.1-47.90000109.1K116 G120K116-T118 PolarHBondContact O-N 3.47Å; T118-G120 PolarHBondContact O-N 2.9Å
119A45.5Very low40.6Very low110 Ų110148.7 Ų148.791%0.90982%0.815SS**  trans-67.2104171.900000109.7
120G35.1Very low39.8Very low70 Ų70142.4 Ų142.472%0.72281%0.809SS**  trans-130126.8-178.800000111T118 G122T118-G120 PolarHBondContact O-N 2.9Å; G120-G122 PolarHBondContact O-N 3.5Å
121N41.2Very low39.5Very low178 Ų178142.7 Ų142.795%0.95281%0.811SS**  trans-80.2109.2-172.7-168.616.1000111.1
122G34.8Very low39Very low70 Ų70136.5 Ų136.572%0.72281%0.81SS**  trans-160.3144.3-176.800000113.2G120G120-G122 PolarHBondContact O-N 3.5Å
123K47.4Very low38.7Very low211 Ų211135.6 Ų135.692%0.91781%0.813SS**  trans-104.3142.3-168.7-60.5172.4-177.8173.90112.8
124G36.9Very low39Very low70 Ų70139.1 Ų139.172%0.72282%0.818SS**  trans83148.8170.400000113.9
125F36.3Very low38.5Very low198 Ų198142.8 Ų142.887%0.86882%0.824SS**  cis-141.11480.6-92-105.9000109.4
126L37.3Very low38.2Very low182 Ų182137 Ų13795%0.95382%0.82SS**  trans-147.7125.2142.1-83.2-170.4000110.7
127S39.4Very low37.9Very low95 Ų95136.7 Ų136.766%0.66482%0.821SS**  trans-148.9147.3170.6-1720000105.4
128M37.5Very low37.8Very low145 Ų145139.4 Ų139.471%0.71482%0.82SS**  cis-110.9134.712-67.9-81.4-74.900109.9
129Q42.2Very low37.8Very low144 Ų144139.7 Ų139.767%0.67382%0.816SS**  55.394.686.5-169.717074.600114.7L131Q129-L131 HydrophobicContact CG-CD2 4.2Å
130S34.1Very low37.1Very low115 Ų115145.4 Ų145.480%0.80481%0.814SS**  trans-79.2146.3154.8177.10000109.7
131L36.6Very low37.4Very low149 Ų149153.4 Ų153.478%0.7882%0.822SS**  trans-111.6108.2173.3-71177.8000110.5Q129Q129-L131 HydrophobicContact CG-CD2 4.2Å
132A37.7Very low37Very low102 Ų102150.5 Ų150.584%0.84382%0.816SS**  trans-93135.6163.400000109.8
133A33.5Very low37.2Very low110 Ų110155 Ų15591%0.90982%0.824SS**  trans-102.8147173.500000111
134H44.8Very low36.4Very low176 Ų176148.5 Ų148.582%0.81582%0.816SS**  trans-119.3141.5-155.7-161.1-65.2000113.1
135K33.5Very low36.1Very low205 Ų205150.4 Ų150.489%0.89182%0.818SS**  trans157.9119153.7-88.3152.8-171.2-179.20107.2
136G33.1Very low36.1Very low77 Ų77147.7 Ų147.779%0.79481%0.812SS**  116.3151.36900000107.1
137Q32.1Very low35.9Very low198 Ų198146.6 Ų146.693%0.92580%0.802SS**  cis-149164.61.8-173.1167.1-11.900108.7
138K38.8Very low35.7Very low188 Ų188147.6 Ų147.682%0.81780%0.804SS**  trans-75.7152.8-175.3-50.9171.7-175.41750112
139L35.2Very low35.6Very low140 Ų140149 Ų14973%0.73381%0.813SS**  -170152117.6-123.353.5000116
140W31.7Very low35Very low231 Ų231146.2 Ų146.288%0.87582%0.815SS**  trans61.4148.4162.3-60.3125000123.1
141R40.7Very low34.9Very low238 Ų238146.9 Ų146.990%0.89882%0.818SS**  trans-110.7155.5168.2-58.5-176.8-177.4-80.26.6108.6
142S33.6Very low34.6Very low116 Ų116148.3 Ų148.381%0.81182%0.821SS**  trans-147.3149.3152.2-172.20000109.6
143N38.1Very low34.8Very low166 Ų166148.8 Ų148.889%0.88882%0.815SS**  trans-123.4128.9171.8-86.9-37.4000108.1
144G30.9Very low35.3Very low73 Ų73149.6 Ų149.675%0.75381%0.811SS**  trans154.4119.1-177.800000108.8
145S31Very low34.7Very low110 Ų110148.8 Ų148.877%0.76981%0.812SS**  cis117.8141.814.2-1720000110.1
146L37.3Very low34.6Very low141 Ų141144.5 Ų144.574%0.73881%0.807SS**  trans79.2120.8175.7-50-171.9000119.3
147H32.9Very low35.1Very low159 Ų159147 Ų14774%0.73681%0.81SS**  trans46.3119.8142.4-63.1-56.6000122
148T34.6Very low35.1Very low117 Ų117141 Ų14172%0.71880%0.801SS**  75.892.864.5-520000113.5
149L34.9Very low35.2Very low174 Ų174138.4 Ų138.491%0.91180%0.803SS**  trans-134.6147.8142.1-78.4-178.8000108.8
150A30.9Very low35.1Very low85 Ų85143.2 Ų143.270%0.70281%0.812SS**  trans-121.6136.2176.900000109.4
151C30.6Very low35.2Very low130 Ų130136.5 Ų136.588%0.87881%0.805SS**  trans-110.8113.1177.8-62.30000109.9
152H30.8Very low34.8Very low179 Ų179130.1 Ų130.183%0.82980%0.797SS**PPolyproline II helixtrans-87.6151.4165.8-78.4-91000110.3
153P42.6Very low34.7Very low111 Ų111133.8 Ų133.872%0.72180%0.801SS**PPolyproline II helixtrans-84.2149.1179.634-35000112.6
154P44.1Very low34.4Very low127 Ų127130 Ų13083%0.82579%0.793SS**PPolyproline II helixtrans-80.8159.1166.234.2-34000112
155L31.6Very low34.3Very low160 Ų160138.4 Ų138.484%0.83880%0.802SS**  trans-133.5146.3176.2-81.5169.5000110.8
156S32.1Very low34.3Very low114 Ų114136.4 Ų136.480%0.79779%0.792SS**  trans67.9166.1162-55.50000117.4
157P43.9Very low33.9Very low131 Ų131138.7 Ų138.785%0.85180%0.799SS**  cis-114.4179.5-13.236.6-22.4000112.9
158G32Very low33.8Very low71 Ų71138.2 Ų138.273%0.73280%0.801SS**  trans-124.5163.2173.100000113
159P40.7Very low33.6Very low133 Ų133140.3 Ų140.386%0.86481%0.807SS**  trans-108.4169.3-179.239.7-33.2000114.3
160R33.1Very low33.4Very low242 Ų242140.1 Ų140.191%0.91380%0.802SS**  trans-146.1147.2167.8-126.4-174.5-176.8-164.50.5111.2
161A33.8Very low33.3Very low90 Ų90140.2 Ų140.274%0.74480%0.802SS**  trans82.6128.8158.600000121.9
162S31.4Very low33.3Very low104 Ų104141.8 Ų141.873%0.72780%0.801SS**  trans65.490.9138.754.50000123.6
163Q31.9Very low33.1Very low192 Ų192139 Ų13990%0.89780%0.801SS**  65124.199-167-1791.200122
164A30.7Very low32.7Very low86 Ų86141 Ų14171%0.71181%0.805SS**  trans123.5121.5138.300000119.3
165R30.8Very low32Very low250 Ų250142.2 Ų142.294%0.94381%0.805SS**  trans60.2159.5152.2-73.4-175152.9140.1-6.2119.6
166A29.7Very low32Very low68 Ų68143.2 Ų143.256%0.56281%0.805SS**  cis-172.7160.4-31.100000109.9
167Q29.5Very low31.9Very low190 Ų190141.2 Ų141.289%0.88880%0.803SS**  trans65.4133.2167.8-64.3152-2100115.5
168L30.3Very low31.4Very low149 Ų149138.7 Ų138.778%0.7880%0.8SS**  cis86.897.421.7-160.9154.9000115.5
169L31.4Very low32.2Very low161 Ų161141 Ų14184%0.84380%0.803SS**  trans-177.5134.4140.9-91.4172.2000105.6
170H29Very low32Very low170 Ų170143 Ų14379%0.78780%0.8SS**  cis90.4105.636.7-117.2-69.7000116.1
171A29.5Very low33.1Very low86 Ų86135.9 Ų135.971%0.71179%0.785SS**  trans64.3157164.200000117.4
172L30.6Very low33Very low164 Ų164138.2 Ų138.286%0.85978%0.781SS**  cis-140.6157.211.5-71.9159.5000111.6
173S26.9Very low33.6Very low120 Ų120138.8 Ų138.884%0.83978%0.782SS**  trans-163.9153.9134-160.50000110.3
174L33Very low33.7Very low152 Ų152133.4 Ų133.480%0.79677%0.766SS**  trans-118.3148.1177.7-81.5122.1000112
175D30.4Very low34.2Very low154 Ų154136.9 Ų136.982%0.82477%0.772SS**  trans-171.2125.7140-106.7-0.3000104.7
176E31.7Very low34.7Very low180 Ų180129.2 Ų129.284%0.84176%0.757SS**  54116.170-75.4-6910700113.6
177G28.9Very low34.9Very low73 Ų73132.4 Ų132.475%0.75376%0.764SS**  cis172.6140.1-9.600000113.7
178G33.6Very low35.4Very low77 Ų77128 Ų12879%0.79475%0.754SS**  trans93.3-179.3164.800000118.6
179P50.1Low35.5Very low120 Ų120126 Ų12678%0.77975%0.752SS**  -113.1148.1-92-0.222000114
180E35.8Very low35.7Very low174 Ų174123.6 Ų123.681%0.81375%0.75SS**  62.7149.479.3-68.6-78.592.600116
181P56.1Low35.9Very low93 Ų93119.2 Ų119.260%0.60475%0.75SS**  cis-144.5-165.9-31.140.6-21.8000114.9
182E32Very low36Very low140 Ų140119.1 Ų119.165%0.65476%0.758SS**  trans70.8160.3162.1-76.1-55.6100.300119.1S184E182-S184 WeakPolarHBondContact OE2-CB 3.38Å; E182-S184 PolarHBondContact OE2-N 2.88Å; E182-S184 PolarHBondContact OE2-OG 3.26Å
183P44Very low36.4Very low116 Ų116116.2 Ų116.275%0.75375%0.751SS**  cis-126.5151.310.639.2-23000120.2
184S33.4Very low36.7Very low79 Ų79120.3 Ų120.355%0.55275%0.754SS**  -11.2157.2129.6-64.20000118E182E182-S184 WeakPolarHBondContact OE2-CB 3.38Å; E182-S184 PolarHBondContact OE2-N 2.88Å; E182-S184 PolarHBondContact OE2-OG 3.26Å
185L41.6Very low36.5Very low158 Ų158116.6 Ų116.683%0.82775%0.752SS**  cis-169.7175.5-2.7-105.3170.1000106.2
186S41.8Very low36.6Very low90 Ų90121 Ų12163%0.62976%0.757SS**  cis-140.6-149.7-0.7-154.80000106.9
187D34.2Very low36.7Very low135 Ų135117.6 Ų117.672%0.72275%0.754SS**  cis-156.5173.80.4-142.147.1000106.1
188S38.3Very low37.5Very low96 Ų96120.5 Ų120.567%0.67176%0.76SS**  cis-158-1787.5-1480000106.8
189S32.4Very low37.4Very low107 Ų107119.8 Ų119.875%0.74875%0.752SS**  cis-154.9-172.75.265.50000110.7
190S36.7Very low36.6Very low112 Ų112121.3 Ų121.378%0.78376%0.759SS**  trans-83.5160.7175.454.10000114.5
191G33.7Very low36.3Very low78 Ų78116.2 Ų116.280%0.80475%0.754SS**  cis124.6134.31.900000113.4
192G29.8Very low35.8Very low84 Ų84118.1 Ų118.187%0.86677%0.766SS**  trans160.1162.3176.500000115.4
193S40.8Very low35.9Very low103 Ų103114.5 Ų114.572%0.7277%0.766SS**  trans-155.8167.7-173.8-171.60000114.2
194F32.8Very low36.2Very low205 Ų205115.2 Ų115.290%0.89977%0.771SS**  trans122.1131.3150.3-67.8-64.7000120.2
195G29Very low36.1Very low74 Ų74121.3 Ų121.376%0.76379%0.788SS**  trans88.9162.9149.900000118.6
196R31.7Very low35.6Very low246 Ų246119.6 Ų119.693%0.92879%0.789SS**  cis-175.7142.3-30.3-133.7179.6-175.3-108.36.9108.2
197S33.5Very low35.3Very low109 Ų109120.5 Ų120.576%0.76280%0.795SS**  trans-94.5152.1168.2-49.50000111.1
198P46.4Very low35.3Very low135 Ų135119.6 Ų119.688%0.87780%0.8SS**  -135.7-174.87937.7-21.7000112.7
199G30.7Very low35.1Very low62 Ų62123.1 Ų123.164%0.63981%0.81SS**  cis160.8-166.9-4.800000112.3
200T34Very low35Very low152 Ų152121.4 Ų121.493%0.93381%0.809SS**  trans71.6135.3177.2-45.20000116.4
201G30.2Very low34.9Very low67 Ų67124.8 Ų124.869%0.69181%0.812SS**  trans-115.9-153.3173.600000111.9
202P44.7Very low35.1Very low132 Ų132127.9 Ų127.986%0.85781%0.81SS**  cis-121.7-162.51.541.6-26000113.2
203G35Very low35.7Very low65 Ų65130.4 Ų130.467%0.6780%0.803SS**  trans-74.9-174.8168.500000113.8
204P50.2Low35.4Very low130 Ų130132.8 Ų132.884%0.84480%0.803SS**  -144.8-171.468.242.1-25.3000115.8
205F31.2Very low35.8Very low207 Ų207130.3 Ų130.391%0.90880%0.798SS**  trans-69.9156170.9-50.6-97.7000113
206S31.2Very low36.1Very low122 Ų122130.6 Ų130.685%0.85380%0.801SS**  -165162.3127.5-1590000112.1
207S35.6Very low36.2Very low109 Ų109122.4 Ų122.476%0.76279%0.793SS**  trans-109.5157.9173.354.90000111
208S33.1Very low36Very low116 Ų116122.5 Ų122.581%0.81179%0.794SS**  trans-166.4165.5148.3-151.70000114.9
209L33.8Very low35.4Very low171 Ų171123.8 Ų123.890%0.89579%0.793SS**  trans-68.2169.8-172-61.8149.8000116.8
210G30.6Very low36.3Very low71 Ų71128.3 Ų128.373%0.73280%0.802SS**  trans123.698.5164.200000113.4
211H35.6Very low36.3Very low182 Ų182133.1 Ų133.184%0.84380%0.803SS**  cis74.8148.347.4-115.1-67.2000115.7
212L37.3Very low36.4Very low144 Ų144134.3 Ų134.375%0.75481%0.806SS**  trans78.7142-178.7-46.1174.9000114.1
213N42.3Very low35.7Very low136 Ų136132.8 Ų132.873%0.72780%0.798SS**  cis-160.6-176.8-8.9-106.9-7.6000107.1
214H34.9Very low35.8Very low154 Ų154141.1 Ų141.171%0.71381%0.81SS**  cis-159.4-170.814.6-162-127.6000110.9
215L40.5Very low34.9Very low153 Ų153138 Ų13880%0.80180%0.802SS**  trans69.4122.5168.1-52.3171.6000116.9
216G36.6Very low35.5Very low80 Ų80135.1 Ų135.183%0.82580%0.804SS**  cis112.5131.2-0.800000113.2
217G32.1Very low36Very low74 Ų74138.3 Ų138.376%0.76380%0.802SS**  cis170.9-168.8-3.800000112.5
218S29.8Very low35.8Very low110 Ų110141.5 Ų141.577%0.76981%0.805SS**  trans72.3116.7166.3-163.60000120.5
219L34.9Very low35.8Very low163 Ų163140.8 Ų140.885%0.85381%0.806SS**  -174.2134.8104.2-101.6174.8000112.8
220D47.9Very low35.6Very low156 Ų156135.9 Ų135.983%0.83480%0.797SS**  trans-96.7146.7177.9-71.5-75.9000113.9
221R35.8Very low36.7Very low254 Ų254138.3 Ų138.396%0.95880%0.8SS**  trans-161.7141.8132.3-131.3171.7-176.4139.23.8113.7
222A30.7Very low37.1Very low91 Ų91135.9 Ų135.975%0.75280%0.8SS**  trans-104165.1177.700000112.7
223S31.2Very low37Very low100 Ų100133.6 Ų133.670%0.69980%0.802SS**  169.2161.311065.40000114.9
224R35.8Very low36.6Very low240 Ų240133.2 Ų133.291%0.90680%0.804SS**  trans67.6124.8156.6-69.1174.7175.7-168.6-2.7120.1
225G32.4Very low36.6Very low66 Ų66132.9 Ų132.968%0.6881%0.807SS**  trans-97.3-173.7147.400000111.4
226P44.2Very low36.3Very low146 Ų146130.5 Ų130.595%0.94880%0.803SS**  -134.6-150.9120.239.9-29.2000113.3
227K41Very low36Very low188 Ų188132.3 Ų132.382%0.81780%0.802SS**  trans-131.4174.9-154.6-172.9-175.2173.7-166.80111.4
228E31.9Very low36Very low177 Ų177136.9 Ų136.983%0.82781%0.808SS**  trans86.9149.2172.8-49.9-169.6161.500114.9
229A31.6Very low36.6Very low100 Ų100137.2 Ų137.283%0.82681%0.807SS**  cis-137.8-177.95.700000112.9
230G31Very low36.7Very low68 Ų68138 Ų13870%0.70181%0.807SS**  trans-88.1-179-177.800000116.4
231P52.9Low36.7Very low122 Ų122135.8 Ų135.879%0.79280%0.801SS**  trans-93.5179.9-165.139.6-38.9000114.5
232P44.2Very low37.4Very low131 Ų131129.3 Ų129.385%0.85179%0.792SS**  -128.9164.2104.838.3-33.5000113.9
233A34.9Very low38.3Very low96 Ų96130.4 Ų130.479%0.79379%0.791SS**  trans-104.1155.1-177.900000112.7
234V34.3Very low39.1Very low129 Ų129131.8 Ų131.878%0.78280%0.798SS**  trans-141.4108.4167.1-174.40000109.8
235L35.4Very low39.3Very low146 Ų146128.9 Ų128.976%0.76479%0.788SS**  trans52.8119153.2-55.9175.7000118.7
236S33.6Very low39.8Very low104 Ų104134 Ų13473%0.72779%0.794SS**  68.312669.7-64.40000112.9
237C29.7Very low39.2Very low117 Ų117135.1 Ų135.179%0.79178%0.784SS**  cis-151.5165.97.7-79.40000111.2
238L33.6Very low39.5Very low170 Ų170131.8 Ų131.889%0.8979%0.785SS**  177.9160126.6-90.1173.9000109.1
239P41.6Very low39.4Very low117 Ų117129.2 Ų129.276%0.7679%0.785SS**PPolyproline II helixtrans-99.2156.7-151.1-0.821.8000116.6
240E36.6Very low39.8Very low180 Ų180130.1 Ų130.184%0.84179%0.785SS**PPolyproline II helixtrans-77.8138.5165.7-177.5175.7-170.400111
241P49.2Very low40.2Very low110 Ų110131.7 Ų131.771%0.71479%0.786SS**PPolyproline II helixtrans-80136.517731.6-33.5000111.9
242P49.3Very low39.8Very low117 Ų117130.6 Ų130.676%0.7679%0.787SS**PPolyproline II helixtrans-73.2156.117930.7-35.5000112.8
243P49.9Very low40Very low114 Ų114133 Ų13374%0.7479%0.786SS**PPolyproline II helixtrans-68.9156.9176.130-35.8000112.5
244P47.6Very low40.7Very low130 Ų130138 Ų13884%0.84479%0.793SS**PPolyproline II helixtrans-67.7135.3178.528.8-34.7000111.7
245Y41.6Very low41.3Very low179 Ų179139.8 Ų139.870%0.70280%0.795SS**PPolyproline II helixtrans-88.3135.7178.8176.9-87.8000111.3F247Y245-F247 AromaticContact CD1-CD2 3.49Å; Y245-F247 HydrophobicContact CD1-CD2 3.49Å; Y245-F247 VanDerWaalsContact CD1-CD2 3.49Å; Y245-F247 AromaticContact CD1-CE2 3.48Å; Y245-F247 HydrophobicContact CD1-CE2 3.48Å; Y245-F247 VanDerWaalsContact CD1-CE2 3.48Å; Y245-F247 HydrophobicContact CD1-CG 4.03Å; Y245-F247 HydrophobicContact CD1-CZ 4.02Å; Y245-F247 AromaticContact CE1-CD1 3.9Å; Y245-F247 HydrophobicContact CE1-CD1 3.9Å; Y245-F247 AromaticContact CE1-CD2 3.69Å; Y245-F247 HydrophobicContact CE1-CD2 3.69Å; Y245-F247 AromaticContact CE1-CE1 3.78Å; Y245-F247 HydrophobicContact CE1-CE1 3.78Å; Y245-F247 AromaticContact CE1-CE2 3.57Å; Y245-F247 HydrophobicContact CE1-CE2 3.57Å; Y245-F247 AromaticContact CE1-CG 3.85Å; Y245-F247 HydrophobicContact CE1-CG 3.85Å; Y245-F247 AromaticContact CE1-CZ 3.61Å; Y245-F247 HydrophobicContact CE1-CZ 3.61Å; Y245-F247 PolarHBondContact O-N 2.91Å
246E41.2Very low41.8Very low173 Ų173136.5 Ų136.581%0.80880%0.797SS**  trans-79.4114.4176.3-63.7-176.3163.700111.3
247F32.1Very low42.8Very low169 Ų169135.9 Ų135.974%0.74180%0.798SS**  trans-97.6108.3168.5-93.6-71.8000111.1Y245Y245-F247 AromaticContact CD1-CD2 3.49Å; Y245-F247 HydrophobicContact CD1-CD2 3.49Å; Y245-F247 VanDerWaalsContact CD1-CD2 3.49Å; Y245-F247 AromaticContact CD1-CE2 3.48Å; Y245-F247 HydrophobicContact CD1-CE2 3.48Å; Y245-F247 VanDerWaalsContact CD1-CE2 3.48Å; Y245-F247 HydrophobicContact CD1-CG 4.03Å; Y245-F247 HydrophobicContact CD1-CZ 4.02Å; Y245-F247 AromaticContact CE1-CD1 3.9Å; Y245-F247 HydrophobicContact CE1-CD1 3.9Å; Y245-F247 AromaticContact CE1-CD2 3.69Å; Y245-F247 HydrophobicContact CE1-CD2 3.69Å; Y245-F247 AromaticContact CE1-CE1 3.78Å; Y245-F247 HydrophobicContact CE1-CE1 3.78Å; Y245-F247 AromaticContact CE1-CE2 3.57Å; Y245-F247 HydrophobicContact CE1-CE2 3.57Å; Y245-F247 AromaticContact CE1-CG 3.85Å; Y245-F247 HydrophobicContact CE1-CG 3.85Å; Y245-F247 AromaticContact CE1-CZ 3.61Å; Y245-F247 HydrophobicContact CE1-CZ 3.61Å; Y245-F247 PolarHBondContact O-N 2.91Å
248S46.6Very low44Very low119 Ų119136.6 Ų136.683%0.83280%0.799SS**  trans-76.8125.3161-66.90000109.6
249C31.5Very low44.8Very low122 Ų122135 Ų13582%0.82479%0.791SS**  trans-117.8144.9174.4-76.20000111.1
250S39.7Very low45.5Very low119 Ų119134.1 Ų134.183%0.83278%0.784SS**  trans-102.3134.6-169.6176.20000112.8
251S38Very low46.1Very low102 Ų102133.6 Ų133.671%0.71378%0.782SS**  trans53.6148.1166.6-156.10000118.6
252A45Very low46.4Very low98 Ų98131.3 Ų131.381%0.8177%0.773SS**  trans-13014.4-166.500000115.1
253E48.9Very low46.4Very low181 Ų181128.8 Ų128.885%0.84676%0.757SS**  trans-96-10.7-164.6-62.9-170.412000116
254E49.2Very low46.7Very low201 Ų201128.2 Ų128.294%0.93974%0.744SS**SBendtrans-105.616.4-164.7-130.7174-163.400116.4
255M48Very low47Very low167 Ų167128 Ų12882%0.82373%0.732SS**  trans-11416.9-175.4-121.4-68.8176.600115.2
256G45.5Very low47.6Very low77 Ų77125.8 Ų125.879%0.79473%0.731SS**  trans-82.2-10.6-16800000118.1
257A55.1Low48.1Very low92 Ų92122.9 Ų122.976%0.7672%0.716SS**SBendtrans-105.5-11.1-15400000118
258V54.2Low49.3Very low132 Ų132123 Ų12380%0.871%0.712SS**SBendtrans-1218.7-164-161.80000113.9
259L50.3Low49.4Very low137 Ų137120.5 Ų120.572%0.71771%0.705SS**  trans-85-18.4-173.2-12973000119.4
260P55.1Low50.4Low97 Ų97122.2 Ų122.263%0.6371%0.705SS**Hα-helixtrans-62-51.7-170.3-28.135.9000116.7C263P260-C263 PolarHBondContact O-N 3.43Å
261E50Low50.8Low170 Ų170119.7 Ų119.779%0.79470%0.698SS**Hα-helixtrans-71.4-37.5-166.8-69.2-173.8116.500113.5C263 E264E261-C263 PolarHBondContact O-N 3.14Å; E261-E264 PolarHBondContact O-N 3.42Å; E261-E264 VanDerWaalsContact O-N 3.1Å
262A55.9Low51.3Low62 Ų62120 Ų12051%0.51270%0.7SS.*Hα-helixtrans-60.1-22.218000000113.4
263C48.5Very low52.2Low64 Ų64123.6 Ų123.643%0.43270%0.7SS.*Hα-helixtrans-74.8-30.1178.9-158.10000113.1P260 E261 K267P260-C263 PolarHBondContact O-N 3.43Å; E261-C263 PolarHBondContact O-N 3.14Å; C263-K267 WeakPolarHBondContact O-CG 3.47Å; C263-K267 PolarHBondContact O-N 3.29Å
264E56.7Low52.6Low102 Ų102123 Ų12348%0.47770%0.703SS.*Hα-helixtrans-85-15.4-179.9-62.5-54137.200113.4E261 K267 R268E261-E264 PolarHBondContact O-N 3.42Å; E261-E264 VanDerWaalsContact O-N 3.1Å; E264-K267 IonicContact OE1-NZ 3.74Å; E264-K267 PolarHBondContact OE1-NZ 2.7Å; E264-K267 WeakPolarHBondContact OE2-CD 3.46Å; E264-K267 IonicContact OE2-NZ 3.82Å; E264-R268 PolarHBondContact O-NE 3.02Å; E264-R268 VanDerWaalsContact O-NE 3.08Å
265E54.7Low53Low126 Ų126116.7 Ų116.759%0.58969%0.692SS**Hα-helixtrans-74.9-47.3169.9-55.2-120.5105.200110.4K267 R268 G269E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.46Å; E265-R268 PolarHBondContact O-N 2.9Å; E265-R268 VanDerWaalsContact O-N 3.14Å; E265-R268 IonicContact OE1-CZ 3.96Å; E265-R268 IonicContact OE1-NH2 2.84Å; E265-R268 PolarHBondContact OE1-NH2 3.48Å; E265-G269 PolarHBondContact O-N 3.29Å
266L53.4Low53.9Low131 Ų131113.1 Ų113.169%0.68668%0.683SS**Hα-helixtrans-60.4-33.7177.7-73.9167.7000113.1G269L266-G269 PolarHBondContact O-N 3.08Å
267K52.6Low55.5Low113 Ų113113.9 Ų113.949%0.49167%0.669SS.*Hα-helixtrans-67.2-38.8175.4-72.1168.7-171.5174.60112.7C263 E264 E265 G269 L270C263-K267 WeakPolarHBondContact O-CG 3.47Å; C263-K267 PolarHBondContact O-N 3.29Å; E264-K267 IonicContact OE1-NZ 3.74Å; E264-K267 PolarHBondContact OE1-NZ 2.7Å; E264-K267 WeakPolarHBondContact OE2-CD 3.46Å; E264-K267 IonicContact OE2-NZ 3.82Å; E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.46Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 3.38Å; K267-L270 PolarHBondContact O-N 2.92Å
268R55.4Low56.8Low170 Ų170114 Ų11464%0.64266%0.662SS**Hα-helixtrans-67.1-31.4177.2-75.3178-76151.33.3112.2E264 E265 L270 G271E264-R268 PolarHBondContact O-NE 3.02Å; E264-R268 VanDerWaalsContact O-NE 3.08Å; E265-R268 PolarHBondContact O-N 2.9Å; E265-R268 VanDerWaalsContact O-N 3.14Å; E265-R268 IonicContact OE1-CZ 3.96Å; E265-R268 IonicContact OE1-NH2 2.84Å; E265-R268 PolarHBondContact OE1-NH2 3.48Å; R268-L270 PolarHBondContact O-N 3.43Å; R268-G271 PolarHBondContact O-N 2.94Å
269G49.7Very low58.1Low67 Ų67114.7 Ų114.769%0.69166%0.655SS**THydrogen-bonded Turntrans-66.2-16.1174.100000115.6E265 L266 K267E265-G269 PolarHBondContact O-N 3.29Å; L266-G269 PolarHBondContact O-N 3.08Å; K267-G269 VanDerWaalsContact C-N 3.3Å; K267-G269 PolarHBondContact O-N 3.38Å
270L51.8Low59.9Low158 Ų158110.9 Ų110.983%0.82764%0.637SS**THydrogen-bonded Turntrans-100.23.5177.9-69.3166.7000113.3K267 R268K267-L270 PolarHBondContact O-N 2.92Å; R268-L270 PolarHBondContact O-N 3.43Å
271G49.2Very low61.6Low67 Ų67110.7 Ų110.769%0.69163%0.628SS**  trans-98.816.5-171.300000116.5R268R268-G271 PolarHBondContact O-N 2.94Å
272S48.2Very low63.6Low108 Ų108107 Ų10776%0.75562%0.617SS**  trans-102.6129.3175.4-1730000111.1
273E64.2Low65.3Low174 Ų174108.5 Ų108.581%0.81362%0.616SS**SBendtrans-70.8177.3172.1-65.4-169108.400112.4G275E273-G275 PolarHBondContact O-N 3.35Å
274D55.9Low67.5Low168 Ų168110.6 Ų110.690%0.89862%0.619SS**SBendtrans61.1-9.7179.8-65.6-19.4000117.9S276D274-S276 VanDerWaalsContact C-N 3.3Å; D274-S276 PolarHBondContact O-N 3.03Å
275G58.1Low69.2Low68 Ų68109.2 Ų109.270%0.70161%0.613SS**  trans-7468.2170.400000114.2E273 N277E273-G275 PolarHBondContact O-N 3.35Å; G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.15Å
276S68.2Low71.1Confident92 Ų92112 Ų11264%0.64362%0.618SS**  trans-51.4121168.5-73.60000110.1D274D274-S276 VanDerWaalsContact C-N 3.3Å; D274-S276 PolarHBondContact O-N 3.03Å
277N78.7Confident73Confident93 Ų93111.9 Ų111.950%0.49761%0.614SS.*  trans-53.4125.5-171.9-177.2-34000110.3G275 F279 T280 Q281G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.15Å; N277-F279 PolarHBondContact O-N 2.98Å; N277-F279 WeakPolarHBondContact OD1-CB 3.28Å; N277-F279 PolarHBondContact OD1-N 2.85Å; N277-F279 VanDerWaalsContact OD1-N 3.11Å; N277-T280 HydrophobicContact CB-CG2 4.42Å; N277-T280 PolarHBondContact O-N 2.92Å; N277-T280 PolarHBondContact O-OG1 3.18Å; N277-Q281 PolarHBondContact O-N 3.41Å; N277-Q281 VanDerWaalsContact O-N 3.11Å
278P82.8Confident75.1Confident96 Ų96113.7 Ų113.762%0.62362%0.618SS**Hα-helixtrans-58.3-26.7-172.420.9-33.3000113V282P278-V282 WeakPolarHBondContact O-CG2 3.44Å; P278-V282 PolarHBondContact O-N 3.33Å; P278-V282 VanDerWaalsContact O-N 3.15Å
279F81.6Confident77.1Confident145 Ų145111.1 Ų111.164%0.63662%0.616SS**Hα-helixtrans-67.6-39.5173.2-176.1-106.1000113.1N277 L283N277-F279 PolarHBondContact O-N 2.98Å; N277-F279 WeakPolarHBondContact OD1-CB 3.28Å; N277-F279 PolarHBondContact OD1-N 2.85Å; N277-F279 VanDerWaalsContact OD1-N 3.11Å; F279-L283 HydrophobicContact CD1-CD1 3.97Å; F279-L283 HydrophobicContact CE1-CD1 3.55Å; F279-L283 HydrophobicContact CE1-CG 4.5Å; F279-L283 HydrophobicContact CZ-CD1 3.92Å; F279-L283 WeakPolarHBondContact O-CG 3.13Å; F279-L283 PolarHBondContact O-N 3.45Å
280T86.6Confident79.3Confident58 Ų58115.9 Ų115.936%0.35661%0.613SS.*Hα-helixtrans-72.6-37.8176.858.30000111.2N277 V282 L283 E284N277-T280 HydrophobicContact CB-CG2 4.42Å; N277-T280 PolarHBondContact O-N 2.92Å; N277-T280 PolarHBondContact O-OG1 3.18Å; T280-V282 PolarHBondContact O-N 3.31Å; T280-L283 PolarHBondContact O-N 2.97Å; T280-E284 WeakPolarHBondContact O-CG 3.29Å; T280-E284 PolarHBondContact O-N 3Å
281Q90.6Very high81.4Confident92 Ų92111.7 Ų111.743%0.4359%0.591SS.*Hα-helixtrans-57.1-49.5174.1-178.7178.1-10.300111.9N277 L283 E284 E285N277-Q281 PolarHBondContact O-N 3.41Å; N277-Q281 VanDerWaalsContact O-N 3.11Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.03Å; Q281-E284 PolarHBondContact O-N 3.32Å; Q281-E285 HydrophobicContact CG-CG 4.4Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.34Å; Q281-E285 PolarHBondContact NE2-OE1 3Å; Q281-E285 WeakPolarHBondContact O-CB 3.49Å; Q281-E285 WeakPolarHBondContact O-CG 3.48Å; Q281-E285 PolarHBondContact O-N 3.05Å
282V93.3Very high83.7Confident92 Ų92111.1 Ų111.156%0.55858%0.58SS**Hα-helixtrans-61.8-36.2178.8170.70000111.9P278 T280 R286P278-V282 WeakPolarHBondContact O-CG2 3.44Å; P278-V282 PolarHBondContact O-N 3.33Å; P278-V282 VanDerWaalsContact O-N 3.15Å; T280-V282 PolarHBondContact O-N 3.31Å; V282-R286 VanDerWaalsContact O-CB 3.23Å; V282-R286 WeakPolarHBondContact O-CB 3.27Å; V282-R286 PolarHBondContact O-N 3.33Å
283L91.5Very high86.1Confident94 Ų94109.9 Ų109.949%0.49256%0.562SS.*Hα-helixtrans-68-41.6175.1-72.2174.1000112.6F279 T280 Q281 R286 Q287F279-L283 HydrophobicContact CD1-CD1 3.97Å; F279-L283 HydrophobicContact CE1-CD1 3.55Å; F279-L283 HydrophobicContact CE1-CG 4.5Å; F279-L283 HydrophobicContact CZ-CD1 3.92Å; F279-L283 WeakPolarHBondContact O-CG 3.13Å; F279-L283 PolarHBondContact O-N 3.45Å; T280-L283 PolarHBondContact O-N 2.97Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.03Å; L283-R286 PolarHBondContact O-N 2.71Å; L283-Q287 WeakPolarHBondContact O-CB 3.43Å; L283-Q287 PolarHBondContact O-N 3.44Å
284E93.4Very high87.6Confident109 Ų109105.8 Ų105.851%0.50955%0.545SS..Hα-helixtrans-66.4-41.9176.1-74.4176.6-153.800112.2T280 Q281 Q287 R288T280-E284 WeakPolarHBondContact O-CG 3.29Å; T280-E284 PolarHBondContact O-N 3Å; Q281-E284 PolarHBondContact O-N 3.32Å; E284-Q287 PolarHBondContact O-N 3.32Å; E284-R288 WeakPolarHBondContact O-CB 3.47Å; E284-R288 PolarHBondContact O-N 2.92Å
285E92.6Very high89.6Confident73 Ų73104.8 Ų104.834%0.34153%0.533SS..Hα-helixtrans-63.6-42.7173.8-72.9175.2-175.300111.2Q281 Q287 R288 L289Q281-E285 HydrophobicContact CG-CG 4.4Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.34Å; Q281-E285 PolarHBondContact NE2-OE1 3Å; Q281-E285 WeakPolarHBondContact O-CB 3.49Å; Q281-E285 WeakPolarHBondContact O-CG 3.48Å; Q281-E285 PolarHBondContact O-N 3.05Å; E285-Q287 PolarHBondContact O-N 2.86Å; E285-R288 WeakPolarHBondContact O-CB 3.46Å; E285-R288 PolarHBondContact O-N 3.18Å; E285-L289 WeakPolarHBondContact O-CB 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.24Å; E285-L289 PolarHBondContact O-N 2.91Å
286R94.3Very high91.6Very high185 Ų185107 Ų10770%0.69852%0.52SS*.Hα-helixtrans-63.2-40.9175.1-172.360.3171.1-172-1.3112.2V282 L283 W290V282-R286 VanDerWaalsContact O-CB 3.23Å; V282-R286 WeakPolarHBondContact O-CB 3.27Å; V282-R286 PolarHBondContact O-N 3.33Å; L283-R286 PolarHBondContact O-N 2.71Å; R286-W290 WeakPolarHBondContact O-CB 3.48Å; R286-W290 PolarHBondContact O-N 3.28Å
287Q93.6Very high93Very high127 Ų127106.5 Ų106.559%0.59351%0.51SS*.Hα-helixtrans-65.3-43.1174.5-173.6-173.492.100111.4L283 E284 E285 W290 L291L283-Q287 WeakPolarHBondContact O-CB 3.43Å; L283-Q287 PolarHBondContact O-N 3.44Å; E284-Q287 PolarHBondContact O-N 3.32Å; E285-Q287 PolarHBondContact O-N 2.86Å; Q287-W290 PolarHBondContact O-N 2.91Å; Q287-L291 HydrophobicContact CG-CD1 4.08Å; Q287-L291 HydrophobicContact CG-CG 4.49Å; Q287-L291 WeakPolarHBondContact O-CB 3.5Å; Q287-L291 WeakPolarHBondContact O-CG 3.29Å; Q287-L291 PolarHBondContact O-N 2.84Å
288R97.3Very high93.9Very high152 Ų152109.4 Ų109.457%0.57452%0.515SS*.Hα-helixtrans-60.5-45.7178.2-168.5-172.3-50.5176.46.5111.6E284 E285 L291 A292E284-R288 WeakPolarHBondContact O-CB 3.47Å; E284-R288 PolarHBondContact O-N 2.92Å; E285-R288 WeakPolarHBondContact O-CB 3.46Å; E285-R288 PolarHBondContact O-N 3.18Å; R288-L291 PolarHBondContact O-N 3.11Å; R288-A292 WeakPolarHBondContact O-CB 3.37Å; R288-A292 PolarHBondContact O-N 2.76Å
289L96.8Very high94.6Very high116 Ų116108.2 Ų108.261%0.60751%0.506SS*.Hα-helixtrans-64.6-43.5174.8-70.8171.5000112E285 L291 A292 E293E285-L289 WeakPolarHBondContact O-CB 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.24Å; E285-L289 PolarHBondContact O-N 2.91Å; L289-L291 PolarHBondContact O-N 2.97Å; L289-A292 PolarHBondContact O-N 2.94Å; L289-E293 PolarHBondContact O-N 2.85Å
290W95.8Very high95.4Very high167 Ų167106 Ų10663%0.63350%0.497SS*.Hα-helixtrans-62.8-41.6176.9-174.983.6000112.4R286 Q287 E293 L294R286-W290 WeakPolarHBondContact O-CB 3.48Å; R286-W290 PolarHBondContact O-N 3.28Å; Q287-W290 PolarHBondContact O-N 2.91Å; W290-E293 PolarHBondContact O-N 2.9Å; W290-L294 HydrophobicContact CH2-CD2 3.79Å; W290-L294 HydrophobicContact CZ2-CD2 4.4Å; W290-L294 HydrophobicContact CZ3-CD2 3.89Å; W290-L294 VanDerWaalsContact O-CB 3.31Å; W290-L294 WeakPolarHBondContact O-CB 3.36Å; W290-L294 PolarHBondContact O-N 2.67Å
291L97.8Very high96Very high69 Ų69110.5 Ų110.536%0.36151%0.508SS..Hα-helixtrans-68.3-32174.7-71.5172.7000112.8Q287 R288 L289 K295Q287-L291 HydrophobicContact CG-CD1 4.08Å; Q287-L291 HydrophobicContact CG-CG 4.49Å; Q287-L291 WeakPolarHBondContact O-CB 3.5Å; Q287-L291 WeakPolarHBondContact O-CG 3.29Å; Q287-L291 PolarHBondContact O-N 2.84Å; R288-L291 PolarHBondContact O-N 3.11Å; L289-L291 PolarHBondContact O-N 2.97Å; L291-K295 WeakPolarHBondContact O-CB 3.4Å; L291-K295 WeakPolarHBondContact O-CD 3.17Å; L291-K295 WeakPolarHBondContact O-CG 3.48Å; L291-K295 PolarHBondContact O-N 2.92Å; L291-K295 VanDerWaalsContact O-N 3.16Å
292A96.8Very high96.4Very high55 Ų55109.8 Ų109.846%0.45551%0.507SS..Hα-helixtrans-68.4-46.5173.900000111.3R288 L289 K295 R296R288-A292 WeakPolarHBondContact O-CB 3.37Å; R288-A292 PolarHBondContact O-N 2.76Å; L289-A292 PolarHBondContact O-N 2.94Å; A292-K295 WeakPolarHBondContact O-CB 3.48Å; A292-K295 PolarHBondContact O-N 3.38Å; A292-R296 PolarHBondContact O-N 3.24Å
293E97.5Very high96.6Very high83 Ų83111.6 Ų111.639%0.38851%0.509SS..Hα-helixtrans-67.3-39.5178.6-175.956.5-161.400112L289 W290 K295 R296 L297L289-E293 PolarHBondContact O-N 2.85Å; W290-E293 PolarHBondContact O-N 2.9Å; E293-K295 VanDerWaalsContact C-N 3.31Å; E293-K295 PolarHBondContact O-N 2.9Å; E293-R296 VanDerWaalsContact CD-NE 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.39Å; E293-R296 PolarHBondContact O-N 3.43Å; E293-R296 VanDerWaalsContact O-N 3.14Å; E293-R296 IonicContact OE1-CZ 3.86Å; E293-R296 IonicContact OE1-NE 3.79Å; E293-R296 PolarHBondContact OE1-NE 2.87Å; E293-R296 VanDerWaalsContact OE1-NE 3.13Å; E293-R296 IonicContact OE1-NH2 2.68Å; E293-R296 PolarHBondContact OE1-NH2 2.94Å; E293-R296 WeakPolarHBondContact OE2-CD 3.37Å; E293-R296 IonicContact OE2-CZ 3.86Å; E293-R296 IonicContact OE2-NE 2.78Å; E293-R296 PolarHBondContact OE2-NE 2.92Å; E293-R296 IonicContact OE2-NH2 3.94Å; E293-L297 HydrophobicContact CG-CD1 4.12Å; E293-L297 WeakPolarHBondContact O-CG 3.16Å; E293-L297 PolarHBondContact O-N 3.35Å
294L97.4Very high96.9Very high88 Ų88111.8 Ų111.846%0.46151%0.507SS..Hα-helixtrans-60.7-39.5173.1-175.565.3000112W290 Y298W290-L294 HydrophobicContact CH2-CD2 3.79Å; W290-L294 HydrophobicContact CZ2-CD2 4.4Å; W290-L294 HydrophobicContact CZ3-CD2 3.89Å; W290-L294 VanDerWaalsContact O-CB 3.31Å; W290-L294 WeakPolarHBondContact O-CB 3.36Å; W290-L294 PolarHBondContact O-N 2.67Å; L294-Y298 VanDerWaalsContact O-CB 3.32Å; L294-Y298 WeakPolarHBondContact O-CB 3.31Å; L294-Y298 PolarHBondContact O-N 3.36Å
295K98.1Very high97.1Very high146 Ų146110.4 Ų110.464%0.63551%0.506SS*.Hα-helixtrans-65.7-42.3172.6-74.6168.8-176.2178.30111.7L291 A292 E293 Y298 V299L291-K295 WeakPolarHBondContact O-CB 3.4Å; L291-K295 WeakPolarHBondContact O-CD 3.17Å; L291-K295 WeakPolarHBondContact O-CG 3.48Å; L291-K295 PolarHBondContact O-N 2.92Å; L291-K295 VanDerWaalsContact O-N 3.16Å; A292-K295 WeakPolarHBondContact O-CB 3.48Å; A292-K295 PolarHBondContact O-N 3.38Å; E293-K295 VanDerWaalsContact C-N 3.31Å; E293-K295 PolarHBondContact O-N 2.9Å; K295-Y298 PolarHBondContact O-N 3.48Å; K295-V299 WeakPolarHBondContact O-CG2 3.39Å; K295-V299 PolarHBondContact O-N 3.03Å
296R98.4Very high97.4Very high114 Ų114110.6 Ų110.643%0.4351%0.512SS..Hα-helixtrans-58.2-52.7177.3-164.1-167.569.467.17.5110.8A292 E293 Y298 V299 E300A292-R296 PolarHBondContact O-N 3.24Å; E293-R296 VanDerWaalsContact CD-NE 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.39Å; E293-R296 PolarHBondContact O-N 3.43Å; E293-R296 VanDerWaalsContact O-N 3.14Å; E293-R296 IonicContact OE1-CZ 3.86Å; E293-R296 IonicContact OE1-NE 3.79Å; E293-R296 PolarHBondContact OE1-NE 2.87Å; E293-R296 VanDerWaalsContact OE1-NE 3.13Å; E293-R296 IonicContact OE1-NH2 2.68Å; E293-R296 PolarHBondContact OE1-NH2 2.94Å; E293-R296 WeakPolarHBondContact OE2-CD 3.37Å; E293-R296 IonicContact OE2-CZ 3.86Å; E293-R296 IonicContact OE2-NE 2.78Å; E293-R296 PolarHBondContact OE2-NE 2.92Å; E293-R296 IonicContact OE2-NH2 3.94Å; R296-Y298 PolarHBondContact O-N 3.4Å; R296-V299 PolarHBondContact O-N 3.32Å; R296-E300 IonicContact CZ-OE2 2.83Å; R296-E300 IonicContact NH1-OE1 3.71Å; R296-E300 IonicContact NH1-OE2 2.64Å; R296-E300 PolarHBondContact NH1-OE2 3.32Å; R296-E300 IonicContact NH2-OE2 3.13Å; R296-E300 PolarHBondContact NH2-OE2 2.97Å; R296-E300 WeakPolarHBondContact O-CB 3.3Å; R296-E300 PolarHBondContact O-N 3Å
297L98.1Very high97.6Very high83 Ų83106.2 Ų106.244%0.43550%0.5SS..Hα-helixtrans-62.2-38.2178.2-69168.5000112.6E293 R301E293-L297 HydrophobicContact CG-CD1 4.12Å; E293-L297 WeakPolarHBondContact O-CG 3.16Å; E293-L297 PolarHBondContact O-N 3.35Å; L297-R301 VanDerWaalsContact O-CB 3.29Å; L297-R301 WeakPolarHBondContact O-CB 3.34Å; L297-R301 PolarHBondContact O-N 2.81Å
298Y97.5Very high97.8Very high153 Ų153107.7 Ų107.760%0.650%0.504SS*.Hα-helixtrans-65.2-44.3175178-103.7000112.3L294 K295 R296 R301 L302L294-Y298 VanDerWaalsContact O-CB 3.32Å; L294-Y298 WeakPolarHBondContact O-CB 3.31Å; L294-Y298 PolarHBondContact O-N 3.36Å; K295-Y298 PolarHBondContact O-N 3.48Å; R296-Y298 PolarHBondContact O-N 3.4Å; Y298-R301 PolarHBondContact O-N 2.93Å; Y298-L302 HydrophobicContact CD1-CD1 4.06Å; Y298-L302 HydrophobicContact CE1-CD1 3.47Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.47Å; Y298-L302 HydrophobicContact CE1-CG 4.19Å; Y298-L302 WeakPolarHBondContact O-CG 3.47Å; Y298-L302 PolarHBondContact O-N 2.73Å
299V98.4Very high97.8Very high72 Ų72102.9 Ų102.944%0.43650%0.497SS..Hα-helixtrans-66.3-42.6176.91710000111.2K295 R296 R301 L302 H303K295-V299 WeakPolarHBondContact O-CG2 3.39Å; K295-V299 PolarHBondContact O-N 3.03Å; R296-V299 PolarHBondContact O-N 3.32Å; V299-R301 PolarHBondContact O-N 2.91Å; V299-L302 PolarHBondContact O-N 3Å; V299-H303 PolarHBondContact O-N 3.09Å; V299-H303 VanDerWaalsContact O-N 3.09Å; V299-H303 PolarHBondContact O-ND1 2.88Å
300E98.3Very high97.8Very high97 Ų97100.9 Ų100.945%0.45349%0.485SS..Hα-helixtrans-57.7-47174-175.6162.5-141.100111R296 L302 H303 E304R296-E300 IonicContact CZ-OE2 2.83Å; R296-E300 IonicContact NH1-OE1 3.71Å; R296-E300 IonicContact NH1-OE2 2.64Å; R296-E300 PolarHBondContact NH1-OE2 3.32Å; R296-E300 IonicContact NH2-OE2 3.13Å; R296-E300 PolarHBondContact NH2-OE2 2.97Å; R296-E300 WeakPolarHBondContact O-CB 3.3Å; R296-E300 PolarHBondContact O-N 3Å; E300-L302 PolarHBondContact O-N 2.88Å; E300-H303 WeakPolarHBondContact O-CB 3.35Å; E300-H303 PolarHBondContact O-N 2.81Å; E300-H303 VanDerWaalsContact O-N 3.12Å; E300-E304 PolarHBondContact O-N 3Å
301R98.4Very high98Very high153 Ų153100.3 Ų100.358%0.57748%0.483SS*.Hα-helixtrans-63.4-35.4176.4-172.353.8165.1-162.9-6.9113.6L297 Y298 V299 E304 V305L297-R301 VanDerWaalsContact O-CB 3.29Å; L297-R301 WeakPolarHBondContact O-CB 3.34Å; L297-R301 PolarHBondContact O-N 2.81Å; Y298-R301 PolarHBondContact O-N 2.93Å; V299-R301 PolarHBondContact O-N 2.91Å; R301-E304 WeakPolarHBondContact CD-OE2 3.17Å; R301-E304 IonicContact CZ-OE2 2.71Å; R301-E304 IonicContact NE-OE2 3.81Å; R301-E304 IonicContact NH1-OE2 3.75Å; R301-E304 PolarHBondContact NH1-OE2 2.89Å; R301-E304 PolarHBondContact O-N 2.71Å; R301-V305 VanDerWaalsContact O-CG2 3.31Å; R301-V305 WeakPolarHBondContact O-CG2 3.37Å; R301-V305 PolarHBondContact O-N 3.22Å
302L98.3Very high97.8Very high78 Ų78100 Ų10041%0.40849%0.486SS..Hα-helixtrans-64.5-39.5173-76.4177.3000111.8Y298 V299 E300 V305 T306Y298-L302 HydrophobicContact CD1-CD1 4.06Å; Y298-L302 HydrophobicContact CE1-CD1 3.47Å; Y298-L302 VanDerWaalsContact CE1-CD1 3.47Å; Y298-L302 HydrophobicContact CE1-CG 4.19Å; Y298-L302 WeakPolarHBondContact O-CG 3.47Å; Y298-L302 PolarHBondContact O-N 2.73Å; V299-L302 PolarHBondContact O-N 3Å; E300-L302 PolarHBondContact O-N 2.88Å; L302-V305 PolarHBondContact O-N 3.49Å; L302-T306 WeakPolarHBondContact O-CB 3.49Å; L302-T306 PolarHBondContact O-N 3.01Å; L302-T306 PolarHBondContact O-OG1 3.08Å
303H98.6Very high97.8Very high129 Ų129102.6 Ų102.660%0.59749%0.489SS*.Hα-helixtrans-66-43175.2-72.784.6000111.9V299 E300 V305 T306 Q307V299-H303 PolarHBondContact O-N 3.09Å; V299-H303 VanDerWaalsContact O-N 3.09Å; V299-H303 PolarHBondContact O-ND1 2.88Å; E300-H303 WeakPolarHBondContact O-CB 3.35Å; E300-H303 PolarHBondContact O-N 2.81Å; E300-H303 VanDerWaalsContact O-N 3.12Å; H303-V305 PolarHBondContact O-N 2.9Å; H303-T306 PolarHBondContact O-N 3.07Å; H303-Q307 VanDerWaalsContact O-CB 3.3Å; H303-Q307 WeakPolarHBondContact O-CB 3.46Å; H303-Q307 PolarHBondContact O-N 3.28Å
304E98.2Very high97.8Very high99 Ų99105.4 Ų105.446%0.46350%0.496SS..Hα-helixtrans-56.7-48.4173.4-69.2-172.3124.800112.3E300 R301 K308E300-E304 PolarHBondContact O-N 3Å; R301-E304 WeakPolarHBondContact CD-OE2 3.17Å; R301-E304 IonicContact CZ-OE2 2.71Å; R301-E304 IonicContact NE-OE2 3.81Å; R301-E304 IonicContact NH1-OE2 3.75Å; R301-E304 PolarHBondContact NH1-OE2 2.89Å; R301-E304 PolarHBondContact O-N 2.71Å; E304-K308 VanDerWaalsContact O-CB 3.25Å; E304-K308 WeakPolarHBondContact O-CB 3.37Å; E304-K308 PolarHBondContact O-N 3.01Å
305V98Very high97.9Very high79 Ų79105.1 Ų105.148%0.47950%0.495SS..Hα-helixtrans-64.4-42.1-179.2169.30000110.8R301 L302 H303 K308 A309R301-V305 VanDerWaalsContact O-CG2 3.31Å; R301-V305 WeakPolarHBondContact O-CG2 3.37Å; R301-V305 PolarHBondContact O-N 3.22Å; L302-V305 PolarHBondContact O-N 3.49Å; H303-V305 PolarHBondContact O-N 2.9Å; V305-K308 PolarHBondContact O-N 3.02Å; V305-A309 WeakPolarHBondContact O-CB 3.4Å; V305-A309 PolarHBondContact O-N 2.88Å
306T97.6Very high97.9Very high78 Ų78102.8 Ų102.848%0.47949%0.489SS..Hα-helixtrans-65.2-48.9178.5-55.40000111.1L302 H303 K308 A309 E310L302-T306 WeakPolarHBondContact O-CB 3.49Å; L302-T306 PolarHBondContact O-N 3.01Å; L302-T306 PolarHBondContact O-OG1 3.08Å; H303-T306 PolarHBondContact O-N 3.07Å; T306-K308 VanDerWaalsContact C-N 3.3Å; T306-K308 PolarHBondContact O-N 3.43Å; T306-A309 WeakPolarHBondContact O-CB 3.43Å; T306-A309 PolarHBondContact O-N 3.5Å; T306-A309 VanDerWaalsContact O-N 3.1Å; T306-E310 PolarHBondContact O-N 2.98Å
307Q98.3Very high97.9Very high93 Ų93102.3 Ų102.344%0.43549%0.491SS..Hα-helixtrans-63.3-35.3177.5-170.3-173.885.400112.1H303 R311H303-Q307 VanDerWaalsContact O-CB 3.3Å; H303-Q307 WeakPolarHBondContact O-CB 3.46Å; H303-Q307 PolarHBondContact O-N 3.28Å; Q307-R311 WeakPolarHBondContact O-CB 3.43Å; Q307-R311 VanDerWaalsContact O-CG 3.24Å; Q307-R311 WeakPolarHBondContact O-CG 3.22Å; Q307-R311 PolarHBondContact O-N 3.28Å; Q307-R311 VanDerWaalsContact O-N 3.09Å
308K97.8Very high97.9Very high157 Ų157103.2 Ų103.268%0.68350%0.496SS*.Hα-helixtrans-67.6-39.8173.2-172.3175.4-178.9178.40111.7E304 V305 T306 R311 S312E304-K308 VanDerWaalsContact O-CB 3.25Å; E304-K308 WeakPolarHBondContact O-CB 3.37Å; E304-K308 PolarHBondContact O-N 3.01Å; V305-K308 PolarHBondContact O-N 3.02Å; T306-K308 VanDerWaalsContact C-N 3.3Å; T306-K308 PolarHBondContact O-N 3.43Å; K308-R311 PolarHBondContact O-N 2.89Å; K308-S312 PolarHBondContact O-N 3.23Å
309A97.2Very high97.9Very high52 Ų52101.2 Ų101.243%0.4349%0.492SS..Hα-helixtrans-61.1-51.8174.600000111V305 T306 R311 S312 E313V305-A309 WeakPolarHBondContact O-CB 3.4Å; V305-A309 PolarHBondContact O-N 2.88Å; T306-A309 WeakPolarHBondContact O-CB 3.43Å; T306-A309 PolarHBondContact O-N 3.5Å; T306-A309 VanDerWaalsContact O-N 3.1Å; A309-R311 VanDerWaalsContact C-N 3.34Å; A309-R311 PolarHBondContact O-N 2.91Å; A309-S312 CarbonylContact O-C 3.6Å; A309-S312 WeakPolarHBondContact O-CA 3.25Å; A309-S312 PolarHBondContact O-N 2.97Å; A309-S312 PolarHBondContact O-OG 3.33Å; A309-E313 PolarHBondContact O-N 3.5Å
310E98.3Very high97.9Very high74 Ų74103 Ų10335%0.34650%0.498SS..Hα-helixtrans-54.6-45.5175.8-71.9179.4-148.600113.1T306 S312 E313 R314T306-E310 PolarHBondContact O-N 2.98Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.31Å; E310-E313 PolarHBondContact O-N 3.21Å; E310-R314 WeakPolarHBondContact O-CG 3.25Å; E310-R314 PolarHBondContact O-N 3.08Å; E310-R314 IonicContact OE2-CZ 2.72Å; E310-R314 IonicContact OE2-NH1 2.7Å; E310-R314 PolarHBondContact OE2-NH1 2.69Å; E310-R314 IonicContact OE2-NH2 3.79Å; E310-R314 PolarHBondContact OE2-NH2 3.04Å
311R98.3Very high97.9Very high155 Ų155104.4 Ų104.459%0.58550%0.504SS*.Hα-helixtrans-61.8-39.5177.6-74.3169.6177.6167.61.5111.4Q307 K308 A309 N315Q307-R311 WeakPolarHBondContact O-CB 3.43Å; Q307-R311 VanDerWaalsContact O-CG 3.24Å; Q307-R311 WeakPolarHBondContact O-CG 3.22Å; Q307-R311 PolarHBondContact O-N 3.28Å; Q307-R311 VanDerWaalsContact O-N 3.09Å; K308-R311 PolarHBondContact O-N 2.89Å; A309-R311 VanDerWaalsContact C-N 3.34Å; A309-R311 PolarHBondContact O-N 2.91Å; R311-N315 PolarHBondContact O-N 3.47Å
312S94Very high97.9Very high61 Ų61101.7 Ų101.743%0.42750%0.498SS..Hα-helixtrans-69.2-38.5175.574.90000112.4K308 A309 E310 N315 L316K308-S312 PolarHBondContact O-N 3.23Å; A309-S312 CarbonylContact O-C 3.6Å; A309-S312 WeakPolarHBondContact O-CA 3.25Å; A309-S312 PolarHBondContact O-N 2.97Å; A309-S312 PolarHBondContact O-OG 3.33Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.31Å; S312-N315 PolarHBondContact O-N 3.26Å; S312-L316 WeakPolarHBondContact O-CG 3.47Å; S312-L316 PolarHBondContact O-N 2.88Å
313E97.8Very high97.8Very high110 Ų110100.7 Ų100.751%0.51450%0.502SS..Hα-helixtrans-64-49.8177.4-164.8-161.8156.700111A309 E310 N315 L316 Q317A309-E313 PolarHBondContact O-N 3.5Å; E310-E313 PolarHBondContact O-N 3.21Å; E313-N315 PolarHBondContact O-N 3.48Å; E313-L316 PolarHBondContact O-N 3.19Å; E313-L316 VanDerWaalsContact O-N 3.09Å; E313-Q317 HydrophobicContact CG-CG 4.47Å; E313-Q317 WeakPolarHBondContact O-CB 3.38Å; E313-Q317 VanDerWaalsContact O-CG 3.31Å; E313-Q317 WeakPolarHBondContact O-CG 3.37Å; E313-Q317 PolarHBondContact O-N 3.03Å; E313-Q317 PolarHBondContact OE1-NE2 3.44Å
314R97.9Very high97.8Very high142 Ų14298.9 Ų98.954%0.53649%0.493SS..Hα-helixtrans-57.3-36.4176.1-68.9170.8-174130.512.4111.9E310 L318E310-R314 WeakPolarHBondContact O-CG 3.25Å; E310-R314 PolarHBondContact O-N 3.08Å; E310-R314 IonicContact OE2-CZ 2.72Å; E310-R314 IonicContact OE2-NH1 2.7Å; E310-R314 PolarHBondContact OE2-NH1 2.69Å; E310-R314 IonicContact OE2-NH2 3.79Å; E310-R314 PolarHBondContact OE2-NH2 3.04Å; R314-L318 PolarHBondContact O-N 3.45Å
315N98.1Very high97.8Very high83 Ų8399.2 Ų99.244%0.44450%0.495SS..Hα-helixtrans-69-45.1174.8-166.9-92.6000112.2R311 S312 E313 L318 Q319R311-N315 PolarHBondContact O-N 3.47Å; S312-N315 PolarHBondContact O-N 3.26Å; E313-N315 PolarHBondContact O-N 3.48Å; N315-L318 PolarHBondContact O-N 2.93Å; N315-Q319 WeakPolarHBondContact O-CG 3.49Å; N315-Q319 PolarHBondContact O-N 2.92Å; N315-Q319 PolarHBondContact OD1-NE2 2.66Å
316L98.3Very high97.7Very high97 Ų97100.1 Ų100.151%0.50849%0.494SS..Hα-helixtrans-64.8-39.1177.2-71.1169.2000112.3S312 E313 L318 Q319 L320S312-L316 WeakPolarHBondContact O-CG 3.47Å; S312-L316 PolarHBondContact O-N 2.88Å; E313-L316 PolarHBondContact O-N 3.19Å; E313-L316 VanDerWaalsContact O-N 3.09Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 3.46Å; L316-Q319 PolarHBondContact O-N 3.26Å; L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.39Å
317Q98.4Very high97.7Very high104 Ų104100.9 Ų100.949%0.48649%0.492SS..Hα-helixtrans-58.4-43.8172.7-71.3175.46.200111.4E313 L320 F321E313-Q317 HydrophobicContact CG-CG 4.47Å; E313-Q317 WeakPolarHBondContact O-CB 3.38Å; E313-Q317 VanDerWaalsContact O-CG 3.31Å; E313-Q317 WeakPolarHBondContact O-CG 3.37Å; E313-Q317 PolarHBondContact O-N 3.03Å; E313-Q317 PolarHBondContact OE1-NE2 3.44Å; Q317-L320 PolarHBondContact O-N 2.85Å; Q317-F321 PolarHBondContact O-N 2.95Å
318L98.4Very high97.7Very high101 Ų101103.6 Ų103.653%0.52950%0.498SS..Hα-helixtrans-65.7-44175.4-179.361.7000112.2R314 N315 L316 L320 F321 M322R314-L318 PolarHBondContact O-N 3.45Å; N315-L318 PolarHBondContact O-N 2.93Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 3.46Å; L318-L320 VanDerWaalsContact C-N 3.33Å; L318-L320 PolarHBondContact O-N 3.24Å; L318-F321 PolarHBondContact O-N 3.38Å; L318-M322 HydrophobicContact CD1-CG 4.49Å; L318-M322 WeakPolarHBondContact O-CG 3.45Å; L318-M322 PolarHBondContact O-N 2.89Å
319Q97.7Very high97.7Very high112 Ų112101.5 Ų101.552%0.52349%0.486SS..Hα-helixtrans-60-42.5175.2-69.7-176.620.700111.8N315 L316 M322 A323N315-Q319 WeakPolarHBondContact O-CG 3.49Å; N315-Q319 PolarHBondContact O-N 2.92Å; N315-Q319 PolarHBondContact OD1-NE2 2.66Å; L316-Q319 PolarHBondContact O-N 3.26Å; Q319-M322 PolarHBondContact O-N 3.39Å; Q319-A323 WeakPolarHBondContact O-CB 3.37Å; Q319-A323 PolarHBondContact O-N 2.88Å
320L98.3Very high97.6Very high108 Ų108103.4 Ų103.457%0.56549%0.488SS*.Hα-helixtrans-63.2-40.2175.5-74.5168.9000112.1L316 Q317 L318 Q324L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.39Å; Q317-L320 PolarHBondContact O-N 2.85Å; L318-L320 VanDerWaalsContact C-N 3.33Å; L318-L320 PolarHBondContact O-N 3.24Å; L320-Q324 WeakPolarHBondContact O-CB 3.01Å; L320-Q324 VanDerWaalsContact O-CG 3.28Å; L320-Q324 WeakPolarHBondContact O-CG 3.44Å; L320-Q324 PolarHBondContact O-N 3.37Å
321F98.6Very high97.5Very high128 Ų128106.4 Ų106.456%0.56150%0.497SS*.Hα-helixtrans-62.3-48.6174.4178.1-92.3000111.6Q317 L318 A323 Q324 Q325Q317-F321 PolarHBondContact O-N 2.95Å; L318-F321 PolarHBondContact O-N 3.38Å; F321-A323 PolarHBondContact O-N 3.09Å; F321-Q324 PolarHBondContact O-N 2.96Å; F321-Q325 PolarHBondContact O-N 3.5Å
322M98.3Very high97.4Very high95 Ų95106.6 Ų106.647%0.46850%0.502SS..Hα-helixtrans-60-47.6177.7-68.9-60.7-64.800111.6L318 Q319 Q324 Q325 E326L318-M322 HydrophobicContact CD1-CG 4.49Å; L318-M322 WeakPolarHBondContact O-CG 3.45Å; L318-M322 PolarHBondContact O-N 2.89Å; Q319-M322 PolarHBondContact O-N 3.39Å; M322-Q324 VanDerWaalsContact C-N 3.32Å; M322-Q324 PolarHBondContact O-N 3.1Å; M322-Q325 WeakPolarHBondContact O-CB 3.4Å; M322-Q325 PolarHBondContact O-N 2.72Å; M322-Q325 VanDerWaalsContact O-N 3.09Å; M322-E326 PolarHBondContact O-N 2.9Å
323A96.4Very high97.4Very high58 Ų58107.6 Ų107.648%0.47950%0.5SS..Hα-helixtrans-62.2-36.6177.100000112.5Q319 F321 Q327Q319-A323 WeakPolarHBondContact O-CB 3.37Å; Q319-A323 PolarHBondContact O-N 2.88Å; F321-A323 PolarHBondContact O-N 3.09Å; A323-Q327 VanDerWaalsContact O-CB 3.28Å; A323-Q327 WeakPolarHBondContact O-CB 3.37Å; A323-Q327 PolarHBondContact O-N 3.33Å
324Q97.9Very high97.1Very high90 Ų90106.5 Ų106.542%0.42150%0.497SS..Hα-helixtrans-67.6-38.1171.9-76.8-176.644.900112.6L320 F321 M322 Q327 R328L320-Q324 WeakPolarHBondContact O-CB 3.01Å; L320-Q324 VanDerWaalsContact O-CG 3.28Å; L320-Q324 WeakPolarHBondContact O-CG 3.44Å; L320-Q324 PolarHBondContact O-N 3.37Å; F321-Q324 PolarHBondContact O-N 2.96Å; M322-Q324 VanDerWaalsContact C-N 3.32Å; M322-Q324 PolarHBondContact O-N 3.1Å; Q324-Q327 PolarHBondContact O-N 3.17Å; Q324-R328 WeakPolarHBondContact O-CB 3.28Å; Q324-R328 WeakPolarHBondContact O-CG 3.37Å; Q324-R328 PolarHBondContact O-N 2.89Å
325Q98.2Very high96.8Very high107 Ų107108.5 Ų108.550%0.551%0.505SS..Hα-helixtrans-64.5-45.4175.8-175.2-179.5-3.200110.9F321 M322 R328 R329F321-Q325 PolarHBondContact O-N 3.5Å; M322-Q325 WeakPolarHBondContact O-CB 3.4Å; M322-Q325 PolarHBondContact O-N 2.72Å; M322-Q325 VanDerWaalsContact O-N 3.09Å; Q325-R328 WeakPolarHBondContact O-CB 3.39Å; Q325-R328 PolarHBondContact O-N 3.36Å; Q325-R329 PolarHBondContact O-N 2.7Å
326E96.6Very high96.4Very high98 Ų98107.5 Ų107.546%0.45851%0.507SS..Hα-helixtrans-65.2-42.3175-68.8-144.4102.800112.2M322 R328 R329 L330M322-E326 PolarHBondContact O-N 2.9Å; E326-R328 VanDerWaalsContact C-N 3.25Å; E326-R328 PolarHBondContact O-N 3.38Å; E326-R329 CarbonylContact O-C 3.54Å; E326-R329 WeakPolarHBondContact O-CA 3.17Å; E326-R329 WeakPolarHBondContact O-CB 3.38Å; E326-R329 PolarHBondContact O-N 2.99Å; E326-R329 IonicContact OE1-CZ 3.65Å; E326-R329 IonicContact OE1-NH1 3.66Å; E326-R329 PolarHBondContact OE1-NH1 3.03Å; E326-L330 WeakPolarHBondContact O-CB 3.48Å; E326-L330 WeakPolarHBondContact O-CG 3.44Å; E326-L330 PolarHBondContact O-N 3.48Å
327Q97.8Very high95.7Very high93 Ų93109.3 Ų109.344%0.43551%0.513SS..Hα-helixtrans-57.4-38.9172.6-173.2-171.381.500111.8A323 Q324 R331A323-Q327 VanDerWaalsContact O-CB 3.28Å; A323-Q327 WeakPolarHBondContact O-CB 3.37Å; A323-Q327 PolarHBondContact O-N 3.33Å; Q324-Q327 PolarHBondContact O-N 3.17Å; Q327-R331 VanDerWaalsContact O-CB 3.25Å; Q327-R331 WeakPolarHBondContact O-CB 3.18Å; Q327-R331 WeakPolarHBondContact O-CG 3.31Å; Q327-R331 PolarHBondContact O-N 2.91Å; Q327-R331 VanDerWaalsContact OE1-CZ 3.3Å
328R97.6Very high94.9Very high150 Ų150110.4 Ų110.457%0.56652%0.519SS*.Hα-helixtrans-70-31.8174.1-68.5167.9-161-159.58.9112.2Q324 Q325 E326 K332Q324-R328 WeakPolarHBondContact O-CB 3.28Å; Q324-R328 WeakPolarHBondContact O-CG 3.37Å; Q324-R328 PolarHBondContact O-N 2.89Å; Q325-R328 WeakPolarHBondContact O-CB 3.39Å; Q325-R328 PolarHBondContact O-N 3.36Å; E326-R328 VanDerWaalsContact C-N 3.25Å; E326-R328 PolarHBondContact O-N 3.38Å; R328-K332 WeakPolarHBondContact O-CG 3.41Å; R328-K332 PolarHBondContact O-N 3.29Å
329R98Very high93.4Very high114 Ų114108.8 Ų108.843%0.4353%0.526SS..Hα-helixtrans-69.3-55.3175.2-153.7-165.579.4-129.6-6.4110.9Q325 E326 R331 K332 E333Q325-R329 PolarHBondContact O-N 2.7Å; E326-R329 CarbonylContact O-C 3.54Å; E326-R329 WeakPolarHBondContact O-CA 3.17Å; E326-R329 WeakPolarHBondContact O-CB 3.38Å; E326-R329 PolarHBondContact O-N 2.99Å; E326-R329 IonicContact OE1-CZ 3.65Å; E326-R329 IonicContact OE1-NH1 3.66Å; E326-R329 PolarHBondContact OE1-NH1 3.03Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 3.29Å; R329-K332 WeakPolarHBondContact O-CA 3.44Å; R329-K332 WeakPolarHBondContact O-CB 3.49Å; R329-K332 PolarHBondContact O-N 3.43Å; R329-E333 WeakPolarHBondContact CD-OE1 3.46Å; R329-E333 WeakPolarHBondContact CG-OE1 3.5Å; R329-E333 IonicContact CZ-OE1 3.57Å; R329-E333 IonicContact NE-OE1 2.69Å; R329-E333 PolarHBondContact NE-OE1 2.8Å; R329-E333 IonicContact NE-OE2 2.84Å; R329-E333 IonicContact NH2-OE1 3.52Å; R329-E333 IonicContact NH2-OE2 2.67Å; R329-E333 PolarHBondContact O-N 3.38Å
330L95.4Very high91.7Very high91 Ų91110.2 Ų110.248%0.47654%0.537SS..Hα-helixtrans-59.5-37.7178.2-64.7171.2000112E326 K332 E333 L334E326-L330 WeakPolarHBondContact O-CB 3.48Å; E326-L330 WeakPolarHBondContact O-CG 3.44Å; E326-L330 PolarHBondContact O-N 3.48Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3Å; L330-E333 PolarHBondContact O-N 2.9Å; L330-L334 WeakPolarHBondContact O-CB 3.29Å; L330-L334 PolarHBondContact O-N 3.32Å
331R95.1Very high89.4Confident137 Ų137108.7 Ų108.752%0.51754%0.54SS..Hα-helixtrans-65-28.2172.4-80.8175.9174151.13.7114Q327 R329 R335Q327-R331 VanDerWaalsContact O-CB 3.25Å; Q327-R331 WeakPolarHBondContact O-CB 3.18Å; Q327-R331 WeakPolarHBondContact O-CG 3.31Å; Q327-R331 PolarHBondContact O-N 2.91Å; Q327-R331 VanDerWaalsContact OE1-CZ 3.3Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 3.29Å; R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 VanDerWaalsContact O-CG 3.25Å; R331-R335 WeakPolarHBondContact O-CG 3.33Å; R331-R335 PolarHBondContact O-N 3.28Å
332K95.6Very high87.3Confident159 Ų159108.5 Ų108.569%0.69155%0.551SS**Hα-helixtrans-77.2-42.4172.6-72.9175.5178-173.30110.9R328 R329 L330 R335 A336R328-K332 WeakPolarHBondContact O-CG 3.41Å; R328-K332 PolarHBondContact O-N 3.29Å; R329-K332 WeakPolarHBondContact O-CA 3.44Å; R329-K332 WeakPolarHBondContact O-CB 3.49Å; R329-K332 PolarHBondContact O-N 3.43Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3Å; K332-R335 PolarHBondContact O-N 2.95Å; K332-A336 WeakPolarHBondContact O-CB 3.28Å; K332-A336 PolarHBondContact O-N 3.35Å
333E94.5Very high85.1Confident82 Ų82111.8 Ų111.838%0.38357%0.565SS.*Hα-helixtrans-59.6-48.1176.2-70.1164.2-159.900111.1R329 L330 R335 A336 Q337R329-E333 WeakPolarHBondContact CD-OE1 3.46Å; R329-E333 WeakPolarHBondContact CG-OE1 3.5Å; R329-E333 IonicContact CZ-OE1 3.57Å; R329-E333 IonicContact NE-OE1 2.69Å; R329-E333 PolarHBondContact NE-OE1 2.8Å; R329-E333 IonicContact NE-OE2 2.84Å; R329-E333 IonicContact NH2-OE1 3.52Å; R329-E333 IonicContact NH2-OE2 2.67Å; R329-E333 PolarHBondContact O-N 3.38Å; L330-E333 PolarHBondContact O-N 2.9Å; E333-R335 PolarHBondContact O-N 2.87Å; E333-A336 WeakPolarHBondContact O-CB 3.34Å; E333-A336 PolarHBondContact O-N 3.27Å; E333-Q337 PolarHBondContact O-N 2.85Å
334L91.8Very high83Confident87 Ų87114.6 Ų114.646%0.45558%0.578SS.*Hα-helixtrans-60.8-41.6175.6-178.464.4000112.8L330 A336 Q337 Q338L330-L334 WeakPolarHBondContact O-CB 3.29Å; L330-L334 PolarHBondContact O-N 3.32Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-Q337 PolarHBondContact O-N 2.81Å; L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.33Å; L334-Q338 PolarHBondContact O-N 3.13Å
335R92.2Very high80.5Confident185 Ų185121.6 Ų121.670%0.69860%0.601SS**Hα-helixtrans-67-35.1175.6-78176.2179.4-170.3-0.9112.6R331 K332 E333 Q337 Q338 G339R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 VanDerWaalsContact O-CG 3.25Å; R331-R335 WeakPolarHBondContact O-CG 3.33Å; R331-R335 PolarHBondContact O-N 3.28Å; K332-R335 PolarHBondContact O-N 2.95Å; E333-R335 PolarHBondContact O-N 2.87Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; R335-Q338 PolarHBondContact O-N 3.49Å; R335-G339 PolarHBondContact O-N 3.38Å
336A90.4Very high78.1Confident61 Ų61120.7 Ų120.750%0.50461%0.612SS.*Hα-helixtrans-67.2-36.4175.600000111.7K332 E333 L334 L340K332-A336 WeakPolarHBondContact O-CB 3.28Å; K332-A336 PolarHBondContact O-N 3.35Å; E333-A336 WeakPolarHBondContact O-CB 3.34Å; E333-A336 PolarHBondContact O-N 3.27Å; L334-A336 VanDerWaalsContact C-N 3.35Å; A336-L340 WeakPolarHBondContact O-CD1 3.44Å; A336-L340 WeakPolarHBondContact O-CG 3.19Å
337Q81.9Confident76.1Confident136 Ų136122.7 Ų122.764%0.63663%0.634SS**Hα-helixtrans-67.6-45.1171.7-69.4170.3-17.900111.9E333 L334 R335 G339 L340E333-Q337 PolarHBondContact O-N 2.85Å; L334-Q337 PolarHBondContact O-N 2.81Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-G339 VanDerWaalsContact C-N 3.3Å; Q337-G339 PolarHBondContact O-N 3.11Å; Q337-L340 PolarHBondContact O-N 2.86Å; Q337-L340 VanDerWaalsContact O-N 3.08Å
338Q81.7Confident73.7Confident127 Ų127121.2 Ų121.259%0.59364%0.643SS**Hα-helixtrans-63.8-33.3177.6-72.7171.4-12.700113L334 R335 L340 A341L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.33Å; L334-Q338 PolarHBondContact O-N 3.13Å; R335-Q338 PolarHBondContact O-N 3.49Å; Q338-L340 PolarHBondContact O-N 3.49Å; Q338-A341 PolarHBondContact O-N 2.92Å
339G68.1Low71Confident66 Ų66120.6 Ų120.668%0.6866%0.656SS**THydrogen-bonded Turntrans-74.82.1173.800000115.2R335 Q337R335-G339 PolarHBondContact O-N 3.38Å; Q337-G339 VanDerWaalsContact C-N 3.3Å; Q337-G339 PolarHBondContact O-N 3.11Å
340L60.5Low68.4Low143 Ų143123.3 Ų123.375%0.74968%0.678SS**THydrogen-bonded Turntrans-112.310175.6-70.7168.8000112.8A336 Q337 Q338A336-L340 WeakPolarHBondContact O-CD1 3.44Å; A336-L340 WeakPolarHBondContact O-CG 3.19Å; Q337-L340 PolarHBondContact O-N 2.86Å; Q337-L340 VanDerWaalsContact O-N 3.08Å; Q338-L340 PolarHBondContact O-N 3.49Å
341A49.9Very low66.3Low76 Ų76124.9 Ų124.963%0.62870%0.697SS**PPolyproline II helixtrans-61.2134.1171.200000110.4Q338Q338-A341 PolarHBondContact O-N 2.92Å
342P56.4Low63.8Low123 Ų123127 Ų12780%0.79971%0.712SS**PPolyproline II helixtrans-73.9140.6-171.728.2-34.7000113.3
343E50.7Low62Low164 Ų164124 Ų12477%0.76672%0.718SS**PPolyproline II helixtrans-55139.2165.5-95.5-76.6120.800111.4R345E343-R345 PolarHBondContact O-N 2.94Å
344P52.6Low60.2Low117 Ų117125.3 Ų125.376%0.7673%0.727SS**  trans-72.495.9-17629.9-35.1000111.7
345R45.2Very low58.6Low237 Ų237126.6 Ų126.689%0.89474%0.741SS**  trans-77.7150.2174.8-70.7-171.9179.6169.81.9112.7E343E343-R345 PolarHBondContact O-N 2.94Å
346A47.4Very low57Low88 Ų88119.5 Ų119.573%0.72773%0.726SS**  trans-62.7154.5-176.600000113.5G348A346-G348 PolarHBondContact O-N 2.97Å
347P56.3Low55.7Low141 Ų141119.3 Ų119.392%0.91672%0.724SS**  trans-70.9115.4-176.928.5-35000111.8
348G46.3Very low54.9Low61 Ų61121.9 Ų121.963%0.62973%0.728SS**  trans-167.7106.3178.600000114.5A346A346-G348 PolarHBondContact O-N 2.97Å
349T41.5Very low54.6Low137 Ų137119.5 Ų119.584%0.8472%0.723SS**  trans61.6129.715740.50000121.2
350L43.1Very low55.1Low171 Ų171121.6 Ų121.690%0.89572%0.715SS**  trans76.5130.7154.4-61.5170.9000119E352L350-E352 PolarHBondContact O-N 3.15Å
351S50.9Low56.3Low125 Ų125119.8 Ų119.887%0.87470%0.703SS**  trans-89.984.2179.31680000110.6
352E43Very low57.9Low180 Ų180122.3 Ų122.384%0.84170%0.702SS**  trans-76.3149152.6-74.9-154.4116.700109.8L350 D354L350-E352 PolarHBondContact O-N 3.15Å; E352-D354 PolarHBondContact O-N 2.89Å; E352-D354 VanDerWaalsContact O-N 3.11Å
353A56.6Low59.5Low97 Ų97118.8 Ų118.880%0.80268%0.683SS**  trans-74.2101.9175.900000109.5P355A353-P355 WeakPolarHBondContact O-CD 3.31Å; A353-P355 VanDerWaalsContact O-N 3.14Å
354D57.5Low61.5Low110 Ų110118.3 Ų118.359%0.58867%0.674SS**  trans-50.5115.6-173.6-174.2-13000112E352 G356 A357E352-D354 PolarHBondContact O-N 2.89Å; E352-D354 VanDerWaalsContact O-N 3.11Å; D354-G356 PolarHBondContact O-N 2.99Å; D354-G356 VanDerWaalsContact O-N 3.15Å; D354-G356 PolarHBondContact OD1-N 2.88Å; D354-A357 HydrophobicContact CB-CB 4.45Å; D354-A357 WeakPolarHBondContact O-CB 3.46Å; D354-A357 PolarHBondContact O-N 3.38Å
355P59.4Low63.4Low113 Ų113120.9 Ų120.973%0.73467%0.669SS**THydrogen-bonded Turntrans-65.2-16.3-179.627-34.6000113.3A353 P359A353-P355 WeakPolarHBondContact O-CD 3.31Å; A353-P355 VanDerWaalsContact O-N 3.14Å; P355-P359 VanDerWaalsContact O-CD 3.28Å; P355-P359 WeakPolarHBondContact O-CD 3.39Å
356G58.4Low65.8Low37 Ų37116 Ų11638%0.38166%0.656SS.*THydrogen-bonded Turntrans-72.2-24.9171.400000114.1D354 R358 P359D354-G356 PolarHBondContact O-N 2.99Å; D354-G356 VanDerWaalsContact O-N 3.15Å; D354-G356 PolarHBondContact OD1-N 2.88Å; G356-R358 PolarHBondContact O-N 3.39Å; G356-P359 WeakPolarHBondContact O-CD 3.38Å
357A61.5Low68.2Low56 Ų56116.2 Ų116.246%0.46365%0.648SS.*Hα-helixtrans-68.8-32-176.500000113.2D354 E360 E361D354-A357 HydrophobicContact CB-CB 4.45Å; D354-A357 WeakPolarHBondContact O-CB 3.46Å; D354-A357 PolarHBondContact O-N 3.38Å; A357-E360 PolarHBondContact O-N 3Å; A357-E361 PolarHBondContact O-N 3.45Å
358R66.9Low70.1Confident191 Ų191113.2 Ų113.272%0.72163%0.63SS**Hα-helixtrans-65.9-52.3-178.7-93.2179.1165.6160.6-3.2113.6G356 E360 E361 E362G356-R358 PolarHBondContact O-N 3.39Å; R358-E360 PolarHBondContact O-N 2.98Å; R358-E361 PolarHBondContact O-N 2.96Å; R358-E361 VanDerWaalsContact O-N 3.1Å; R358-E362 WeakPolarHBondContact O-CG 3.34Å; R358-E362 PolarHBondContact O-N 2.94Å
359P74.7Confident72.5Confident76 Ų76116.2 Ų116.249%0.49463%0.627SS.*Hα-helixtrans-58-33.9174.1-27.535.5000113.7P355 G356 A363P355-P359 VanDerWaalsContact O-CD 3.28Å; P355-P359 WeakPolarHBondContact O-CD 3.39Å; G356-P359 WeakPolarHBondContact O-CD 3.38Å; P359-A363 VanDerWaalsContact O-CB 3.29Å; P359-A363 WeakPolarHBondContact O-CB 3.44Å; P359-A363 PolarHBondContact O-N 3.28Å
360E77.8Confident75.1Confident110 Ų110114.5 Ų114.551%0.51461%0.608SS.*Hα-helixtrans-68.2-41.3173.1-77.5-159.1-153.500112.6A357 R358 A363 R364A357-E360 PolarHBondContact O-N 3Å; R358-E360 PolarHBondContact O-N 2.98Å; E360-A363 PolarHBondContact O-N 3.39Å; E360-R364 WeakPolarHBondContact O-CB 3.38Å; E360-R364 WeakPolarHBondContact O-CD 3.47Å; E360-R364 WeakPolarHBondContact O-CG 3.24Å; E360-R364 PolarHBondContact O-N 3.19Å; E360-R364 IonicContact OE2-CZ 3.62Å; E360-R364 IonicContact OE2-NE 3.84Å; E360-R364 IonicContact OE2-NH2 2.66Å; E360-R364 PolarHBondContact OE2-NH2 3.46Å
361E85.8Confident77.7Confident106 Ų106110 Ų11050%0.49559%0.588SS.*Hα-helixtrans-64.7-46.4176.5-155.3-164.1148.700111.4A357 R358 A363 R364 W365A357-E361 PolarHBondContact O-N 3.45Å; R358-E361 PolarHBondContact O-N 2.96Å; R358-E361 VanDerWaalsContact O-N 3.1Å; E361-A363 VanDerWaalsContact C-N 3.35Å; E361-A363 PolarHBondContact O-N 2.98Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.95Å; E361-R364 VanDerWaalsContact O-N 3.14Å; E361-W365 PolarHBondContact O-N 3.3Å; E361-W365 PolarHBondContact OE1-NE1 2.94Å
362E84.3Confident79.9Confident128 Ų128107 Ų10760%0.59857%0.571SS**Hα-helixtrans-56.7-46.6174.9-71.7177.517500111.2R358 R364 W365 E366R358-E362 WeakPolarHBondContact O-CG 3.34Å; R358-E362 PolarHBondContact O-N 2.94Å; E362-R364 PolarHBondContact O-N 2.86Å; E362-W365 PolarHBondContact O-N 2.98Å; E362-E366 PolarHBondContact O-N 3.24Å
363A90.4Very high82.5Confident49 Ų49102.6 Ų102.641%0.40555%0.55SS.*Hα-helixtrans-63.9-36.3176.300000113.1P359 E360 E361 V367P359-A363 VanDerWaalsContact O-CB 3.29Å; P359-A363 WeakPolarHBondContact O-CB 3.44Å; P359-A363 PolarHBondContact O-N 3.28Å; E360-A363 PolarHBondContact O-N 3.39Å; E361-A363 VanDerWaalsContact C-N 3.35Å; E361-A363 PolarHBondContact O-N 2.98Å; A363-V367 WeakPolarHBondContact O-CB 3.25Å; A363-V367 VanDerWaalsContact O-CG2 3.27Å; A363-V367 WeakPolarHBondContact O-CG2 3.33Å; A363-V367 PolarHBondContact O-N 2.69Å
364R92.3Very high84.4Confident155 Ų155102 Ų10259%0.58553%0.532SS*.Hα-helixtrans-65.4-43.8174.2-69.3161.2-165.1-159.26.6110.8E360 E361 E362 V367 C368E360-R364 WeakPolarHBondContact O-CB 3.38Å; E360-R364 WeakPolarHBondContact O-CD 3.47Å; E360-R364 WeakPolarHBondContact O-CG 3.24Å; E360-R364 PolarHBondContact O-N 3.19Å; E360-R364 IonicContact OE2-CZ 3.62Å; E360-R364 IonicContact OE2-NE 3.84Å; E360-R364 IonicContact OE2-NH2 2.66Å; E360-R364 PolarHBondContact OE2-NH2 3.46Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.95Å; E361-R364 VanDerWaalsContact O-N 3.14Å; E362-R364 PolarHBondContact O-N 2.86Å; R364-V367 PolarHBondContact O-N 3.44Å; R364-C368 PolarHBondContact O-N 3.43Å; R364-C368 PolarHBondContact O-SG 3.38Å; R364-C368 VanDerWaalsContact O-SG 3.36Å
365W92.6Very high86.4Confident171 Ų17199.6 Ų99.665%0.64852%0.524SS*.Hα-helixtrans-63.1-44.1175.2-76.6113.6000112.5E361 E362 V367 C368 Q369E361-W365 PolarHBondContact O-N 3.3Å; E361-W365 PolarHBondContact OE1-NE1 2.94Å; E362-W365 PolarHBondContact O-N 2.98Å; W365-V367 PolarHBondContact O-N 3.23Å; W365-C368 PolarHBondContact O-N 2.93Å; W365-Q369 WeakPolarHBondContact O-CB 3.31Å; W365-Q369 PolarHBondContact O-N 2.82Å
366E95.8Very high88.2Confident133 Ų13398.7 Ų98.762%0.62151%0.513SS*.Hα-helixtrans-60.6-43.8174-74.9-165.9167.800112E362 C368 Q369 K370E362-E366 PolarHBondContact O-N 3.24Å; E366-C368 PolarHBondContact O-N 2.88Å; E366-Q369 PolarHBondContact O-N 3.12Å; E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 VanDerWaalsContact O-CG 3.29Å; E366-K370 WeakPolarHBondContact O-CG 3.21Å; E366-K370 PolarHBondContact O-N 2.8Å
367V96.4Very high90.1Very high93 Ų93101.6 Ų101.656%0.56452%0.519SS*.Hα-helixtrans-63-40.8176.4167.20000111.5A363 R364 W365 T371A363-V367 WeakPolarHBondContact O-CB 3.25Å; A363-V367 VanDerWaalsContact O-CG2 3.27Å; A363-V367 WeakPolarHBondContact O-CG2 3.33Å; A363-V367 PolarHBondContact O-N 2.69Å; R364-V367 PolarHBondContact O-N 3.44Å; W365-V367 PolarHBondContact O-N 3.23Å; V367-T371 VanDerWaalsContact O-CB 3.24Å; V367-T371 WeakPolarHBondContact O-CB 3.13Å; V367-T371 PolarHBondContact O-N 3.49Å; V367-T371 PolarHBondContact O-OG1 2.93Å
368C96.3Very high91.8Very high79 Ų79104.7 Ų104.753%0.53452%0.522SS..Hα-helixtrans-63.7-45.9174.1-72.60000112R364 W365 E366 T371 A372R364-C368 PolarHBondContact O-N 3.43Å; R364-C368 PolarHBondContact O-SG 3.38Å; R364-C368 VanDerWaalsContact O-SG 3.36Å; W365-C368 PolarHBondContact O-N 2.93Å; E366-C368 PolarHBondContact O-N 2.88Å; C368-T371 PolarHBondContact O-N 3.24Å; C368-A372 PolarHBondContact O-N 3.15Å
369Q97.6Very high93.3Very high123 Ų12399.7 Ų99.758%0.57551%0.507SS*.Hα-helixtrans-58.7-50.6176.1-173.6-170.816.600111.4W365 E366 T371 A372 E373W365-Q369 WeakPolarHBondContact O-CB 3.31Å; W365-Q369 PolarHBondContact O-N 2.82Å; E366-Q369 PolarHBondContact O-N 3.12Å; Q369-T371 VanDerWaalsContact C-N 3.31Å; Q369-T371 PolarHBondContact O-N 2.9Å; Q369-A372 WeakPolarHBondContact O-CB 3.42Å; Q369-A372 PolarHBondContact O-N 2.98Å; Q369-A372 VanDerWaalsContact O-N 3.16Å; Q369-E373 WeakPolarHBondContact O-CB 3.42Å; Q369-E373 PolarHBondContact O-N 3.41Å
370K96.8Very high94.4Very high101 Ų101100.8 Ų100.844%0.43951%0.506SS..Hα-helixtrans-66.6-32.3-179.6-67-71.6153.7-161.90112.1E366 E373 I374E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 VanDerWaalsContact O-CG 3.29Å; E366-K370 WeakPolarHBondContact O-CG 3.21Å; E366-K370 PolarHBondContact O-N 2.8Å; K370-E373 WeakPolarHBondContact CD-OE2 3.23Å; K370-E373 WeakPolarHBondContact CE-OE2 3.44Å; K370-E373 IonicContact NZ-OE1 2.71Å; K370-E373 IonicContact NZ-OE2 3.19Å; K370-E373 PolarHBondContact NZ-OE2 3.07Å; K370-I374 VanDerWaalsContact O-CB 3.3Å; K370-I374 WeakPolarHBondContact O-CB 3.39Å; K370-I374 WeakPolarHBondContact O-CD1 3.39Å; K370-I374 WeakPolarHBondContact O-CG1 3.5Å; K370-I374 PolarHBondContact O-N 3.34Å
371T96.9Very high95.4Very high78 Ų78100.4 Ų100.448%0.47951%0.507SS..Hα-helixtrans-67.3-38.5172.7-59.90000111.8V367 C368 Q369 S375V367-T371 VanDerWaalsContact O-CB 3.24Å; V367-T371 WeakPolarHBondContact O-CB 3.13Å; V367-T371 PolarHBondContact O-N 3.49Å; V367-T371 PolarHBondContact O-OG1 2.93Å; C368-T371 PolarHBondContact O-N 3.24Å; Q369-T371 VanDerWaalsContact C-N 3.31Å; Q369-T371 PolarHBondContact O-N 2.9Å; T371-S375 WeakPolarHBondContact O-CB 3.1Å; T371-S375 PolarHBondContact O-N 3.33Å; T371-S375 PolarHBondContact O-OG 3.23Å
372A97.1Very high96Very high62 Ų62102.1 Ų102.151%0.51251%0.509SS..Hα-helixtrans-67-45.2174.100000111.8C368 Q369 S375 L376C368-A372 PolarHBondContact O-N 3.15Å; Q369-A372 WeakPolarHBondContact O-CB 3.42Å; Q369-A372 PolarHBondContact O-N 2.98Å; Q369-A372 VanDerWaalsContact O-N 3.16Å; A372-S375 WeakPolarHBondContact O-CA 3.46Å; A372-S375 WeakPolarHBondContact O-CB 3.26Å; A372-S375 PolarHBondContact O-N 2.95Å; A372-L376 PolarHBondContact O-N 3.19Å
373E97.5Very high96.6Very high86 Ų86100.2 Ų100.240%0.40250%0.5SS..Hα-helixtrans-59.2-47.4175.6-173.3179.5169.400112Q369 K370 S375 L376 L377Q369-E373 WeakPolarHBondContact O-CB 3.42Å; Q369-E373 PolarHBondContact O-N 3.41Å; K370-E373 WeakPolarHBondContact CD-OE2 3.23Å; K370-E373 WeakPolarHBondContact CE-OE2 3.44Å; K370-E373 IonicContact NZ-OE1 2.71Å; K370-E373 IonicContact NZ-OE2 3.19Å; K370-E373 PolarHBondContact NZ-OE2 3.07Å; E373-S375 PolarHBondContact O-N 2.88Å; E373-L376 PolarHBondContact O-N 3.48Å; E373-L377 HydrophobicContact CG-CD1 4.35Å; E373-L377 WeakPolarHBondContact O-CG 3.48Å; E373-L377 PolarHBondContact O-N 2.96Å
374I97.2Very high96.9Very high84 Ų84100.3 Ų100.343%0.43150%0.501SS..Hα-helixtrans-60.6-33.9173-72.2166.1000111.6K370 K378K370-I374 VanDerWaalsContact O-CB 3.3Å; K370-I374 WeakPolarHBondContact O-CB 3.39Å; K370-I374 WeakPolarHBondContact O-CD1 3.39Å; K370-I374 WeakPolarHBondContact O-CG1 3.5Å; K370-I374 PolarHBondContact O-N 3.34Å; I374-K378 HydrophobicContact CG2-CD 4Å; I374-K378 VanDerWaalsContact CG2-CE 3.44Å; I374-K378 VanDerWaalsContact O-CB 3.31Å; I374-K378 WeakPolarHBondContact O-CB 3.46Å; I374-K378 WeakPolarHBondContact O-CD 3.45Å; I374-K378 WeakPolarHBondContact O-CG 3.31Å; I374-K378 PolarHBondContact O-N 2.88Å
375S97.8Very high97.1Very high60 Ų6098.3 Ų98.342%0.4250%0.498SS..Hα-helixtrans-72.6-38.9178.6-60.70000112.3T371 A372 E373 K378 Q379T371-S375 WeakPolarHBondContact O-CB 3.1Å; T371-S375 PolarHBondContact O-N 3.33Å; T371-S375 PolarHBondContact O-OG 3.23Å; A372-S375 WeakPolarHBondContact O-CA 3.46Å; A372-S375 WeakPolarHBondContact O-CB 3.26Å; A372-S375 PolarHBondContact O-N 2.95Å; E373-S375 PolarHBondContact O-N 2.88Å; S375-K378 PolarHBondContact O-N 3.06Å; S375-Q379 PolarHBondContact O-N 3.29Å
376L98.3Very high97.4Very high95 Ų9593.1 Ų93.150%0.49749%0.491SS..Hα-helixtrans-63.8-49172.3177.961.9000111.4A372 E373 K378 Q379 Q380A372-L376 PolarHBondContact O-N 3.19Å; E373-L376 PolarHBondContact O-N 3.48Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.35Å; L376-Q379 WeakPolarHBondContact O-CA 3.38Å; L376-Q379 WeakPolarHBondContact O-CB 3.46Å; L376-Q379 PolarHBondContact O-N 2.96Å; L376-Q380 HydrophobicContact CD1-CG 4.41Å; L376-Q380 PolarHBondContact O-N 3.45Å
377L98.3Very high97.4Very high97 Ų9792.7 Ų92.751%0.50849%0.489SS..Hα-helixtrans-60.5-38.5176.6-69.2169.4000111.9E373 Q379 L381E373-L377 HydrophobicContact CG-CD1 4.35Å; E373-L377 WeakPolarHBondContact O-CG 3.48Å; E373-L377 PolarHBondContact O-N 2.96Å; L377-Q379 VanDerWaalsContact C-N 3.28Å; L377-Q379 PolarHBondContact O-N 2.88Å; L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.44Å
378K97.9Very high97.5Very high121 Ų12193.4 Ų93.453%0.52649%0.489SS..Hα-helixtrans-66.7-26.1172.4-77.6171.5-175.5173.40113.3I374 S375 L376 R382I374-K378 HydrophobicContact CG2-CD 4Å; I374-K378 VanDerWaalsContact CG2-CE 3.44Å; I374-K378 VanDerWaalsContact O-CB 3.31Å; I374-K378 WeakPolarHBondContact O-CB 3.46Å; I374-K378 WeakPolarHBondContact O-CD 3.45Å; I374-K378 WeakPolarHBondContact O-CG 3.31Å; I374-K378 PolarHBondContact O-N 2.88Å; S375-K378 PolarHBondContact O-N 3.06Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.35Å; K378-R382 VanDerWaalsContact C-NH2 3.34Å; K378-R382 PolarHBondContact O-NE 3.4Å; K378-R382 PolarHBondContact O-NH2 2.85Å
379Q97.8Very high97.5Very high87 Ų8792.4 Ų92.441%0.40749%0.487SS..Hα-helixtrans-76.7-51174.5170.7170.1-13.300110.5S375 L376 L377 L381 R382 E383S375-Q379 PolarHBondContact O-N 3.29Å; L376-Q379 WeakPolarHBondContact O-CA 3.38Å; L376-Q379 WeakPolarHBondContact O-CB 3.46Å; L376-Q379 PolarHBondContact O-N 2.96Å; L377-Q379 VanDerWaalsContact C-N 3.28Å; L377-Q379 PolarHBondContact O-N 2.88Å; Q379-L381 PolarHBondContact O-N 3.45Å; Q379-R382 WeakPolarHBondContact O-CA 3.42Å; Q379-R382 WeakPolarHBondContact O-CB 3.31Å; Q379-R382 PolarHBondContact O-N 2.86Å; Q379-E383 HydrophobicContact CG-CG 4.4Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.25Å; Q379-E383 PolarHBondContact NE2-OE1 3.41Å; Q379-E383 PolarHBondContact O-N 3.42Å
380Q98.1Very high97.6Very high99 Ų9992.4 Ų92.446%0.46349%0.487SS..Hα-helixtrans-56.7-38176.5-68.7174.6-38.300112.3L376 R382 E383 A384L376-Q380 HydrophobicContact CD1-CG 4.41Å; L376-Q380 PolarHBondContact O-N 3.45Å; Q380-R382 PolarHBondContact O-N 3.01Å; Q380-E383 WeakPolarHBondContact CA-OE2 3.3Å; Q380-E383 PolarHBondContact O-N 3.29Å; Q380-A384 WeakPolarHBondContact O-CB 3.28Å; Q380-A384 PolarHBondContact O-N 3.39Å
381L97.9Very high97.5Very high102 Ų10292.7 Ų92.753%0.53449%0.488SS..Hα-helixtrans-63.9-37173.3-179.561.1000113L377 Q379 Q385L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.44Å; Q379-L381 PolarHBondContact O-N 3.45Å; L381-Q385 WeakPolarHBondContact O-CB 3.43Å; L381-Q385 WeakPolarHBondContact O-CG 3.41Å; L381-Q385 PolarHBondContact O-N 2.74Å; L381-Q385 VanDerWaalsContact O-N 3.08Å
382R98.2Very high97.6Very high142 Ų14293 Ų9354%0.53649%0.487SS..Hα-helixtrans-72-37.4176.1-81.9176.4-87.1118.7-5.7111.8K378 Q379 Q380 Q385 A386K378-R382 VanDerWaalsContact C-NH2 3.34Å; K378-R382 PolarHBondContact O-NE 3.4Å; K378-R382 PolarHBondContact O-NH2 2.85Å; Q379-R382 WeakPolarHBondContact O-CA 3.42Å; Q379-R382 WeakPolarHBondContact O-CB 3.31Å; Q379-R382 PolarHBondContact O-N 2.86Å; Q380-R382 PolarHBondContact O-N 3.01Å; R382-Q385 PolarHBondContact O-N 3.21Å; R382-A386 PolarHBondContact O-N 3.12Å
383E97.8Very high97.5Very high88 Ų8893 Ų9341%0.41149%0.486SS..Hα-helixtrans-65-50.5175.7-71159.8170.500110.5Q379 Q380 Q385 A386 E387Q379-E383 HydrophobicContact CG-CG 4.4Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.25Å; Q379-E383 PolarHBondContact NE2-OE1 3.41Å; Q379-E383 PolarHBondContact O-N 3.42Å; Q380-E383 WeakPolarHBondContact CA-OE2 3.3Å; Q380-E383 PolarHBondContact O-N 3.29Å; E383-Q385 VanDerWaalsContact C-N 3.29Å; E383-Q385 PolarHBondContact O-N 3.05Å; E383-A386 WeakPolarHBondContact O-CB 3.45Å; E383-A386 PolarHBondContact O-N 2.94Å; E383-E387 PolarHBondContact O-N 2.82Å
384A96.3Very high97.6Very high51 Ų5192.7 Ų92.742%0.42149%0.485SS..Hα-helixtrans-60.9-32.9174.800000113.6Q380 L388Q380-A384 WeakPolarHBondContact O-CB 3.28Å; Q380-A384 PolarHBondContact O-N 3.39Å; A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 3.34Å
385Q97.4Very high97.5Very high112 Ų11293.3 Ų93.352%0.52349%0.488SS..Hα-helixtrans-68.4-37.5172.4-78.5171.3-0.900112.5L381 R382 E383 A389L381-Q385 WeakPolarHBondContact O-CB 3.43Å; L381-Q385 WeakPolarHBondContact O-CG 3.41Å; L381-Q385 PolarHBondContact O-N 2.74Å; L381-Q385 VanDerWaalsContact O-N 3.08Å; R382-Q385 PolarHBondContact O-N 3.21Å; E383-Q385 VanDerWaalsContact C-N 3.29Å; E383-Q385 PolarHBondContact O-N 3.05Å; Q385-A389 PolarHBondContact O-N 3.3Å; Q385-A389 VanDerWaalsContact O-N 3.07Å
386A97.1Very high97.6Very high62 Ų6296.7 Ų96.751%0.51250%0.495SS..Hα-helixtrans-69.2-42.317500000111.8R382 E383 L388 A389 Q390R382-A386 PolarHBondContact O-N 3.12Å; E383-A386 WeakPolarHBondContact O-CB 3.45Å; E383-A386 PolarHBondContact O-N 2.94Å; A386-L388 PolarHBondContact O-N 3.3Å; A386-A389 PolarHBondContact O-N 2.87Å; A386-Q390 PolarHBondContact O-N 2.89Å
387E97.4Very high97.5Very high124 Ų12494.9 Ų94.958%0.57949%0.49SS*.Hα-helixtrans-59.5-44.5173.3-71.9178.8-17700111.8E383 A389 Q390 K391E383-E387 PolarHBondContact O-N 2.82Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 3.21Å; E387-Q390 PolarHBondContact O-N 3.2Å; E387-K391 WeakPolarHBondContact O-CB 3.33Å; E387-K391 VanDerWaalsContact O-CG 3.31Å; E387-K391 WeakPolarHBondContact O-CG 3.31Å; E387-K391 PolarHBondContact O-N 3.4Å
388L98.1Very high97.4Very high108 Ų10894.9 Ų94.957%0.56549%0.491SS*.Hα-helixtrans-61-42.2175.2178.760.3000111.8A384 A386 K391 L392A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 3.34Å; A386-L388 PolarHBondContact O-N 3.3Å; L388-K391 PolarHBondContact O-N 2.92Å; L388-L392 HydrophobicContact CD1-CD1 4.36Å; L388-L392 HydrophobicContact CD1-CG 4.36Å; L388-L392 HydrophobicContact CG-CD1 4.22Å; L388-L392 WeakPolarHBondContact O-CB 3.49Å; L388-L392 VanDerWaalsContact O-CG 3.29Å; L388-L392 WeakPolarHBondContact O-CG 3.46Å; L388-L392 PolarHBondContact O-N 3.3Å
389A97.1Very high97.4Very high59 Ų5994 Ų9449%0.48849%0.487SS..Hα-helixtrans-63.6-41.7175.900000112.1Q385 A386 E387 L392 A393Q385-A389 PolarHBondContact O-N 3.3Å; Q385-A389 VanDerWaalsContact O-N 3.07Å; A386-A389 PolarHBondContact O-N 2.87Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 3.21Å; A389-L392 PolarHBondContact O-N 3.09Å; A389-A393 PolarHBondContact O-N 3.25Å
390Q97.8Very high97.3Very high123 Ų12394.2 Ų94.258%0.57549%0.494SS*.Hα-helixtrans-62.4-46.2174.3-178.3-179.4-7.600111.6A386 E387 L392 A393 E394A386-Q390 PolarHBondContact O-N 2.89Å; E387-Q390 PolarHBondContact O-N 3.2Å; Q390-L392 VanDerWaalsContact C-N 3.34Å; Q390-L392 PolarHBondContact O-N 2.68Å; Q390-A393 WeakPolarHBondContact O-CB 3.44Å; Q390-A393 PolarHBondContact O-N 2.97Å; Q390-E394 WeakPolarHBondContact O-CB 3.46Å; Q390-E394 PolarHBondContact O-N 3Å
391K96.1Very high97.2Very high107 Ų10795.3 Ų95.347%0.46550%0.499SS..Hα-helixtrans-65.6-35.1178.9-69.5-72.8147.8-163.10112.3E387 L388 E394 I395E387-K391 WeakPolarHBondContact O-CB 3.33Å; E387-K391 VanDerWaalsContact O-CG 3.31Å; E387-K391 WeakPolarHBondContact O-CG 3.31Å; E387-K391 PolarHBondContact O-N 3.4Å; L388-K391 PolarHBondContact O-N 2.92Å; K391-E394 WeakPolarHBondContact CD-OE2 3.22Å; K391-E394 WeakPolarHBondContact CE-OE2 3.4Å; K391-E394 IonicContact NZ-OE1 3.59Å; K391-E394 PolarHBondContact NZ-OE1 2.93Å; K391-E394 IonicContact NZ-OE2 3.68Å; K391-E394 PolarHBondContact NZ-OE2 3.3Å; K391-E394 PolarHBondContact O-N 3.31Å; K391-I395 WeakPolarHBondContact O-CD1 3.27Å; K391-I395 VanDerWaalsContact O-CG1 3.25Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 2.94Å
392L97.9Very high97.2Very high85 Ų8596.4 Ų96.445%0.44551%0.505SS..Hα-helixtrans-64.2-44.3170.9-73.7169000111.8L388 A389 Q390 E394 I395 F396L388-L392 HydrophobicContact CD1-CD1 4.36Å; L388-L392 HydrophobicContact CD1-CG 4.36Å; L388-L392 HydrophobicContact CG-CD1 4.22Å; L388-L392 WeakPolarHBondContact O-CB 3.49Å; L388-L392 VanDerWaalsContact O-CG 3.29Å; L388-L392 WeakPolarHBondContact O-CG 3.46Å; L388-L392 PolarHBondContact O-N 3.3Å; A389-L392 PolarHBondContact O-N 3.09Å; Q390-L392 VanDerWaalsContact C-N 3.34Å; Q390-L392 PolarHBondContact O-N 2.68Å; L392-E394 VanDerWaalsContact C-N 3.34Å; L392-E394 PolarHBondContact O-N 3.42Å; L392-I395 PolarHBondContact O-N 3.21Å; L392-F396 WeakPolarHBondContact O-CD2 3.44Å; L392-F396 PolarHBondContact O-N 3.44Å
393A96.7Very high97.1Very high60 Ų6098 Ų9850%0.49651%0.511SS..Hα-helixtrans-62.1-40.5176.400000112.5A389 Q390 F396 S397A389-A393 PolarHBondContact O-N 3.25Å; Q390-A393 WeakPolarHBondContact O-CB 3.44Å; Q390-A393 PolarHBondContact O-N 2.97Å; A393-F396 PolarHBondContact O-N 2.97Å; A393-S397 PolarHBondContact O-N 3.11Å
394E97.8Very high97.1Very high80 Ų8095.4 Ų95.437%0.37451%0.508SS..Hα-helixtrans-63.9-40.8174.5-168178.6-115.700112Q390 K391 L392 F396 S397 L398Q390-E394 WeakPolarHBondContact O-CB 3.46Å; Q390-E394 PolarHBondContact O-N 3Å; K391-E394 WeakPolarHBondContact CD-OE2 3.22Å; K391-E394 WeakPolarHBondContact CE-OE2 3.4Å; K391-E394 IonicContact NZ-OE1 3.59Å; K391-E394 PolarHBondContact NZ-OE1 2.93Å; K391-E394 IonicContact NZ-OE2 3.68Å; K391-E394 PolarHBondContact NZ-OE2 3.3Å; K391-E394 PolarHBondContact O-N 3.31Å; L392-E394 VanDerWaalsContact C-N 3.34Å; L392-E394 PolarHBondContact O-N 3.42Å; E394-F396 VanDerWaalsContact C-N 3.32Å; E394-F396 PolarHBondContact O-N 3.2Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.46Å; E394-L398 HydrophobicContact CG-CD1 4.26Å; E394-L398 WeakPolarHBondContact O-CB 3.32Å; E394-L398 VanDerWaalsContact O-CG 3.26Å; E394-L398 WeakPolarHBondContact O-CG 3.49Å; E394-L398 PolarHBondContact O-N 3.03Å
395I96.8Very high96.9Very high98 Ų9896.2 Ų96.250%0.50351%0.511SS..Hα-helixtrans-62.9-38.6171.6-70.8163.5000111.2K391 L392 K399K391-I395 WeakPolarHBondContact O-CD1 3.27Å; K391-I395 VanDerWaalsContact O-CG1 3.25Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 2.94Å; L392-I395 PolarHBondContact O-N 3.21Å; I395-K399 WeakPolarHBondContact O-CB 3.46Å; I395-K399 PolarHBondContact O-N 2.92Å
396F98.2Very high96.9Very high130 Ų13099.1 Ų99.157%0.5752%0.517SS*.Hα-helixtrans-68.4-38.9176.8-80.3-65.9000113.2L392 A393 E394 T400L392-F396 WeakPolarHBondContact O-CD2 3.44Å; L392-F396 PolarHBondContact O-N 3.44Å; A393-F396 PolarHBondContact O-N 2.97Å; E394-F396 VanDerWaalsContact C-N 3.32Å; E394-F396 PolarHBondContact O-N 3.2Å; F396-T400 WeakPolarHBondContact O-CB 3.32Å; F396-T400 PolarHBondContact O-N 3.33Å; F396-T400 VanDerWaalsContact O-N 3.12Å; F396-T400 PolarHBondContact O-OG1 3.05Å
397S96.8Very high96.9Very high57 Ų5798.9 Ų98.940%0.39952%0.515SS..Hα-helixtrans-68.4-47.2175.762.70000111.5A393 E394 K399 T400 Q401A393-S397 PolarHBondContact O-N 3.11Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.46Å; S397-K399 VanDerWaalsContact C-N 3.35Å; S397-K399 PolarHBondContact O-N 3.34Å; S397-T400 WeakPolarHBondContact O-CA 3.2Å; S397-T400 WeakPolarHBondContact O-CB 3.47Å; S397-T400 PolarHBondContact O-N 2.89Å; S397-Q401 WeakPolarHBondContact O-CG 3.36Å; S397-Q401 PolarHBondContact O-N 2.93Å
398L97.1Very high96.9Very high98 Ų9899 Ų9951%0.51352%0.515SS..Hα-helixtrans-58.9-42.7175.4-70.6169.3000112.2E394 T400 Q401 L402E394-L398 HydrophobicContact CG-CD1 4.26Å; E394-L398 WeakPolarHBondContact O-CB 3.32Å; E394-L398 VanDerWaalsContact O-CG 3.26Å; E394-L398 WeakPolarHBondContact O-CG 3.49Å; E394-L398 PolarHBondContact O-N 3.03Å; L398-T400 PolarHBondContact O-N 3.35Å; L398-Q401 PolarHBondContact O-N 2.87Å; L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 PolarHBondContact O-N 3.07Å
399K97.2Very high96.6Very high102 Ų10295.8 Ų95.844%0.44350%0.504SS..Hα-helixtrans-64.8-24.8175.2-175.3173.6-175.5173.20113.1I395 S397 R403I395-K399 WeakPolarHBondContact O-CB 3.46Å; I395-K399 PolarHBondContact O-N 2.92Å; S397-K399 VanDerWaalsContact C-N 3.35Å; S397-K399 PolarHBondContact O-N 3.34Å; K399-R403 WeakPolarHBondContact O-CD 3.45Å; K399-R403 WeakPolarHBondContact O-CG 3.44Å
400T96.4Very high96.5Very high91 Ų9198.2 Ų98.256%0.55851%0.506SS*.Hα-helixtrans-82.6-43.3175.8-57.30000110.9F396 S397 L398 R403 G404F396-T400 WeakPolarHBondContact O-CB 3.32Å; F396-T400 PolarHBondContact O-N 3.33Å; F396-T400 VanDerWaalsContact O-N 3.12Å; F396-T400 PolarHBondContact O-OG1 3.05Å; S397-T400 WeakPolarHBondContact O-CA 3.2Å; S397-T400 WeakPolarHBondContact O-CB 3.47Å; S397-T400 PolarHBondContact O-N 2.89Å; L398-T400 PolarHBondContact O-N 3.35Å; T400-R403 WeakPolarHBondContact O-CB 3.07Å; T400-R403 PolarHBondContact O-N 2.93Å; T400-G404 PolarHBondContact O-N 3.41Å
401Q95.8Very high96.4Very high122 Ų12295.3 Ų95.357%0.5750%0.503SS*.Hα-helixtrans-57.9-48.6171.7-70.7172.4-15.500111.6S397 L398 R403 G404 S405S397-Q401 WeakPolarHBondContact O-CG 3.36Å; S397-Q401 PolarHBondContact O-N 2.93Å; L398-Q401 PolarHBondContact O-N 2.87Å; Q401-R403 PolarHBondContact O-N 3.37Å; Q401-G404 CarbonylContact O-C 3.6Å; Q401-G404 WeakPolarHBondContact O-CA 3.31Å; Q401-G404 PolarHBondContact O-N 3.48Å; Q401-S405 PolarHBondContact O-N 3.19Å; Q401-S405 PolarHBondContact O-OG 3.4Å
402L96.9Very high96.3Very high126 Ų12696.4 Ų96.466%0.6651%0.509SS*.Hα-helixtrans-57.7-34177.2-178.263.4000113L398 R406L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 PolarHBondContact O-N 3.07Å; L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.5Å; L402-R406 PolarHBondContact O-N 2.92Å
403R96.7Very high96.3Very high174 Ų17496.9 Ų96.966%0.65751%0.512SS*.Hα-helixtrans-70.1-41173.1-76.1169.7167-169.3-6.1111.9K399 T400 Q401 A407K399-R403 WeakPolarHBondContact O-CD 3.45Å; K399-R403 WeakPolarHBondContact O-CG 3.44Å; T400-R403 WeakPolarHBondContact O-CB 3.07Å; T400-R403 PolarHBondContact O-N 2.93Å; Q401-R403 PolarHBondContact O-N 3.37Å; R403-A407 WeakPolarHBondContact O-CB 3.5Å; R403-A407 PolarHBondContact O-N 3.07Å
404G96.9Very high96.3Very high34 Ų3497 Ų9735%0.35151%0.513SS..Hα-helixtrans-60.2-54.2174.100000112T400 Q401 R406 A407 Q408T400-G404 PolarHBondContact O-N 3.41Å; Q401-G404 CarbonylContact O-C 3.6Å; Q401-G404 WeakPolarHBondContact O-CA 3.31Å; Q401-G404 PolarHBondContact O-N 3.48Å; G404-R406 VanDerWaalsContact C-N 3.3Å; G404-R406 PolarHBondContact O-N 3.37Å; G404-A407 PolarHBondContact O-N 3.01Å; G404-A407 VanDerWaalsContact O-N 3.07Å; G404-Q408 WeakPolarHBondContact O-CG 3.24Å; G404-Q408 PolarHBondContact O-N 2.96Å
405S93.9Very high96.2Very high68 Ų6897.9 Ų97.948%0.47652%0.517SS..Hα-helixtrans-60.8-36.8178.4-53.70000112.7Q401 Q408 A409Q401-S405 PolarHBondContact O-N 3.19Å; Q401-S405 PolarHBondContact O-OG 3.4Å; S405-Q408 PolarHBondContact O-N 3.21Å; S405-A409 PolarHBondContact O-N 3.49Å
406R97.1Very high96.2Very high174 Ų17497.4 Ų97.466%0.65752%0.515SS*.Hα-helixtrans-65.4-40.7173.3-175.5174-177.5153.77.6112.4L402 G404 Q408 A409 Q410L402-R406 VanDerWaalsContact O-CB 3.27Å; L402-R406 WeakPolarHBondContact O-CB 3.5Å; L402-R406 PolarHBondContact O-N 2.92Å; G404-R406 VanDerWaalsContact C-N 3.3Å; G404-R406 PolarHBondContact O-N 3.37Å; R406-Q408 VanDerWaalsContact C-N 3.34Å; R406-A409 PolarHBondContact O-N 2.96Å; R406-Q410 WeakPolarHBondContact O-CB 3.47Å; R406-Q410 VanDerWaalsContact O-CG 3.28Å; R406-Q410 WeakPolarHBondContact O-CG 3.38Å; R406-Q410 PolarHBondContact O-N 3.07Å
407A96.4Very high96.1Very high56 Ų5694.6 Ų94.646%0.46351%0.509SS..Hα-helixtrans-67.2-36.2176.100000112R403 G404 Q410 A411R403-A407 WeakPolarHBondContact O-CB 3.5Å; R403-A407 PolarHBondContact O-N 3.07Å; G404-A407 PolarHBondContact O-N 3.01Å; G404-A407 VanDerWaalsContact O-N 3.07Å; A407-Q410 PolarHBondContact O-N 3.33Å; A407-A411 PolarHBondContact O-N 2.9Å
408Q96.6Very high96.1Very high126 Ų12698.1 Ų98.159%0.58951%0.513SS*.Hα-helixtrans-63.9-47.7173.8-71.6170.4-40.900111.8G404 S405 R406 Q410 A411 Q412G404-Q408 WeakPolarHBondContact O-CG 3.24Å; G404-Q408 PolarHBondContact O-N 2.96Å; S405-Q408 PolarHBondContact O-N 3.21Å; R406-Q408 VanDerWaalsContact C-N 3.34Å; Q408-Q410 PolarHBondContact O-N 2.78Å; Q408-A411 WeakPolarHBondContact O-CB 3.47Å; Q408-A411 PolarHBondContact O-N 3.1Å; Q408-Q412 WeakPolarHBondContact O-CG 3.24Å; Q408-Q412 PolarHBondContact O-N 3.05Å
409A91.7Very high96.1Very high41 Ų4197.2 Ų97.234%0.33951%0.509SS..Hα-helixtrans-58.1-46.8174.700000111.6S405 R406 A411 Q412 D413S405-A409 PolarHBondContact O-N 3.49Å; R406-A409 PolarHBondContact O-N 2.96Å; A409-A411 VanDerWaalsContact C-N 3.26Å; A409-A411 PolarHBondContact O-N 2.85Å; A409-Q412 CarbonylContact O-C 3.49Å; A409-Q412 WeakPolarHBondContact O-CB 3.28Å; A409-Q412 PolarHBondContact O-N 3.01Å; A409-D413 VanDerWaalsContact O-CG 3.3Å; A409-D413 PolarHBondContact O-N 3.09Å
410Q96.6Very high96Very high111 Ų111100.4 Ų100.452%0.51952%0.518SS..Hα-helixtrans-63.7-28.1177.9-71.3-178.7-56.300113.8R406 A407 Q408 A414R406-Q410 WeakPolarHBondContact O-CB 3.47Å; R406-Q410 VanDerWaalsContact O-CG 3.28Å; R406-Q410 WeakPolarHBondContact O-CG 3.38Å; R406-Q410 PolarHBondContact O-N 3.07Å; A407-Q410 PolarHBondContact O-N 3.33Å; Q408-Q410 PolarHBondContact O-N 2.78Å; Q410-A414 WeakPolarHBondContact O-CB 3.27Å; Q410-A414 PolarHBondContact O-N 2.94Å
411A95.3Very high95.9Very high62 Ų62101.3 Ų101.351%0.51252%0.515SS..Hα-helixtrans-72.8-40.3171.800000111.8A407 Q408 A409 A414 E415A407-A411 PolarHBondContact O-N 2.9Å; Q408-A411 WeakPolarHBondContact O-CB 3.47Å; Q408-A411 PolarHBondContact O-N 3.1Å; A409-A411 VanDerWaalsContact C-N 3.26Å; A409-A411 PolarHBondContact O-N 2.85Å; A411-A414 PolarHBondContact O-N 3.28Å; A411-E415 PolarHBondContact O-N 2.69Å
412Q94.8Very high95.8Very high130 Ų13097.3 Ų97.361%0.60750%0.503SS*.Hα-helixtrans-65.2-42.1174.3-69.6174.6-36.200111.7Q408 A409 A414 E415 L416Q408-Q412 WeakPolarHBondContact O-CG 3.24Å; Q408-Q412 PolarHBondContact O-N 3.05Å; A409-Q412 CarbonylContact O-C 3.49Å; A409-Q412 WeakPolarHBondContact O-CB 3.28Å; A409-Q412 PolarHBondContact O-N 3.01Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.45Å; Q412-E415 PolarHBondContact O-N 3.32Å; Q412-L416 WeakPolarHBondContact O-CB 3.41Å; Q412-L416 WeakPolarHBondContact O-CG 3.43Å; Q412-L416 PolarHBondContact O-N 3.46Å
413D96.6Very high95.6Very high95 Ų9595.7 Ų95.751%0.50850%0.499SS..Hα-helixtrans-57.9-44.9173.7-67.2-37.5000111.4A409 L416 V417A409-D413 VanDerWaalsContact O-CG 3.3Å; A409-D413 PolarHBondContact O-N 3.09Å; D413-L416 PolarHBondContact O-N 2.96Å; D413-V417 WeakPolarHBondContact O-CG2 3.4Å; D413-V417 PolarHBondContact O-N 3.48Å
414A96.6Very high95.4Very high61 Ų6193.6 Ų93.650%0.50449%0.491SS..Hα-helixtrans-65.4-38.3177.700000112.4Q410 A411 Q412 V417 R418Q410-A414 WeakPolarHBondContact O-CB 3.27Å; Q410-A414 PolarHBondContact O-N 2.94Å; A411-A414 PolarHBondContact O-N 3.28Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.45Å; A414-V417 PolarHBondContact O-N 3.11Å; A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 2.96Å
415E96.7Very high95Very high100 Ų10094.1 Ų94.147%0.46749%0.489SS..Hα-helixtrans-67.4-43.1173.5176.1145.2-122.700112.3A411 Q412 V417 R418 L419A411-E415 PolarHBondContact O-N 2.69Å; Q412-E415 PolarHBondContact O-N 3.32Å; E415-V417 VanDerWaalsContact C-N 3.29Å; E415-V417 PolarHBondContact O-N 3.21Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 2.87Å; E415-R418 VanDerWaalsContact O-N 3.13Å; E415-R418 IonicContact OE1-CZ 2.76Å; E415-R418 IonicContact OE1-NE 3.46Å; E415-R418 IonicContact OE1-NH2 3.48Å; E415-R418 PolarHBondContact OE1-NH2 3.33Å; E415-L419 HydrophobicContact CG-CD1 3.93Å; E415-L419 HydrophobicContact CG-CG 4.27Å; E415-L419 WeakPolarHBondContact O-CG 3.33Å; E415-L419 PolarHBondContact O-N 2.89Å
416L95.8Very high94.8Very high87 Ų8796.3 Ų96.346%0.45550%0.495SS..Hα-helixtrans-60.2-38.9174.4-72.2172000111.7Q412 D413 R420Q412-L416 WeakPolarHBondContact O-CB 3.41Å; Q412-L416 WeakPolarHBondContact O-CG 3.43Å; Q412-L416 PolarHBondContact O-N 3.46Å; D413-L416 PolarHBondContact O-N 2.96Å; L416-R420 VanDerWaalsContact O-CB 3.28Å; L416-R420 WeakPolarHBondContact O-CB 3.41Å; L416-R420 WeakPolarHBondContact O-CD 3.49Å; L416-R420 WeakPolarHBondContact O-CG 3.42Å; L416-R420 PolarHBondContact O-N 2.85Å
417V97Very high94Very high72 Ų7294.9 Ų94.944%0.43650%0.496SS..Hα-helixtrans-64.4-44.9172.7169.80000111.4D413 A414 E415 L419 R420 Q421D413-V417 WeakPolarHBondContact O-CG2 3.4Å; D413-V417 PolarHBondContact O-N 3.48Å; A414-V417 PolarHBondContact O-N 3.11Å; E415-V417 VanDerWaalsContact C-N 3.29Å; E415-V417 PolarHBondContact O-N 3.21Å; V417-L419 PolarHBondContact O-N 3.35Å; V417-R420 CarbonylContact O-C 3.59Å; V417-R420 PolarHBondContact O-N 3.46Å; V417-Q421 WeakPolarHBondContact O-CG 3.4Å; V417-Q421 PolarHBondContact O-N 3.33Å
418R96.9Very high93.1Very high131 Ų13199.6 Ų99.649%0.49451%0.508SS..Hα-helixtrans-59.4-45.5176.3-176.1-171.569.283.5-4.2111.9A414 E415 Q421 A422A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 2.96Å; E415-R418 WeakPolarHBondContact O-CB 3.44Å; E415-R418 PolarHBondContact O-N 2.87Å; E415-R418 VanDerWaalsContact O-N 3.13Å; E415-R418 IonicContact OE1-CZ 2.76Å; E415-R418 IonicContact OE1-NE 3.46Å; E415-R418 IonicContact OE1-NH2 3.48Å; E415-R418 PolarHBondContact OE1-NH2 3.33Å; R418-Q421 WeakPolarHBondContact O-CB 3.25Å; R418-Q421 PolarHBondContact O-N 2.82Å; R418-A422 PolarHBondContact O-N 3.09Å
419L95.6Very high91.7Very high79 Ų79100.6 Ų100.641%0.41451%0.513SS..Hα-helixtrans-65.6-43.8177.7-68.1171.3000111.3E415 V417 Q421 A422 V423E415-L419 HydrophobicContact CG-CD1 3.93Å; E415-L419 HydrophobicContact CG-CG 4.27Å; E415-L419 WeakPolarHBondContact O-CG 3.33Å; E415-L419 PolarHBondContact O-N 2.89Å; V417-L419 PolarHBondContact O-N 3.35Å; L419-Q421 PolarHBondContact O-N 3.22Å; L419-A422 PolarHBondContact O-N 3.08Å; L419-V423 WeakPolarHBondContact O-CG2 3.4Å; L419-V423 PolarHBondContact O-N 3.02Å
420R95.6Very high90.1Very high168 Ų168101.5 Ų101.563%0.63452%0.521SS*.Hα-helixtrans-64.1-20.5173-73.9169.9173.6174.9-1.9113.7L416 V417 R424L416-R420 VanDerWaalsContact O-CB 3.28Å; L416-R420 WeakPolarHBondContact O-CB 3.41Å; L416-R420 WeakPolarHBondContact O-CD 3.49Å; L416-R420 WeakPolarHBondContact O-CG 3.42Å; L416-R420 PolarHBondContact O-N 2.85Å; V417-R420 CarbonylContact O-C 3.59Å; V417-R420 PolarHBondContact O-N 3.46Å; R420-R424 PolarHBondContact O-NE 3.06Å; R420-R424 PolarHBondContact O-NH2 3.44Å
421Q95.1Very high88.1Confident110 Ų110101.7 Ų101.751%0.51453%0.531SS..Hα-helixtrans-81.4-45.8170.2-75.4169.6-27.700110.9V417 R418 L419 V423 R424 S425V417-Q421 WeakPolarHBondContact O-CG 3.4Å; V417-Q421 PolarHBondContact O-N 3.33Å; R418-Q421 WeakPolarHBondContact O-CB 3.25Å; R418-Q421 PolarHBondContact O-N 2.82Å; L419-Q421 PolarHBondContact O-N 3.22Å; Q421-V423 PolarHBondContact O-N 2.82Å; Q421-R424 PolarHBondContact O-N 3.45Å; Q421-S425 PolarHBondContact O-N 2.84Å; Q421-S425 PolarHBondContact O-OG 3.38Å
422A93.6Very high86.3Confident38 Ų38110 Ų11031%0.31455%0.549SS..Hα-helixtrans-57.4-47.5177.200000112.3R418 L419 R424 S425 L426R418-A422 PolarHBondContact O-N 3.09Å; L419-A422 PolarHBondContact O-N 3.08Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.26Å; A422-S425 WeakPolarHBondContact CA-OG 3.24Å; A422-S425 PolarHBondContact O-N 2.9Å; A422-S425 PolarHBondContact O-OG 3.34Å; A422-L426 WeakPolarHBondContact O-CG 3.04Å; A422-L426 PolarHBondContact O-N 2.91Å
423V92.7Very high84.2Confident93 Ų93112.3 Ų112.356%0.56456%0.56SS**Hα-helixtrans-58.5-44.1176.91720000111.6L419 Q421 L426 Q427L419-V423 WeakPolarHBondContact O-CG2 3.4Å; L419-V423 PolarHBondContact O-N 3.02Å; Q421-V423 PolarHBondContact O-N 2.82Å; V423-L426 PolarHBondContact O-N 3.03Å; V423-Q427 WeakPolarHBondContact O-CB 3.36Å; V423-Q427 PolarHBondContact O-N 3.48Å
424R92.4Very high81.8Confident129 Ų129116 Ų11649%0.48757%0.574SS.*Hα-helixtrans-63.4-44175.4-83.3178.8-71.8166.9-1.3112.4R420 Q421 A422 L426 Q427 E428R420-R424 PolarHBondContact O-NE 3.06Å; R420-R424 PolarHBondContact O-NH2 3.44Å; Q421-R424 PolarHBondContact O-N 3.45Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.26Å; R424-L426 VanDerWaalsContact C-N 3.26Å; R424-L426 PolarHBondContact O-N 3.26Å; R424-Q427 CarbonylContact O-C 3.6Å; R424-Q427 WeakPolarHBondContact O-CB 3.3Å; R424-Q427 PolarHBondContact O-N 2.83Å; R424-Q427 VanDerWaalsContact O-N 3.12Å; R424-E428 WeakPolarHBondContact O-CB 3.45Å; R424-E428 VanDerWaalsContact O-CG 3.32Å; R424-E428 WeakPolarHBondContact O-CG 3.47Å; R424-E428 PolarHBondContact O-N 3.35Å
425S88.6Confident79.2Confident45 Ų45117.9 Ų117.932%0.31559%0.59SS.*Hα-helixtrans-64.5-29.1177.459.10000113.5Q421 A422 Q429Q421-S425 PolarHBondContact O-N 2.84Å; Q421-S425 PolarHBondContact O-OG 3.38Å; A422-S425 WeakPolarHBondContact CA-OG 3.24Å; A422-S425 PolarHBondContact O-N 2.9Å; A422-S425 PolarHBondContact O-OG 3.34Å; S425-Q429 WeakPolarHBondContact O-CB 3.3Å; S425-Q429 WeakPolarHBondContact O-CG 3.46Å; S425-Q429 PolarHBondContact O-N 2.99Å; S425-Q429 PolarHBondContact O-NE2 3.23Å
426L88.3Confident76.9Confident115 Ų115119 Ų11960%0.60261%0.606SS**Hα-helixtrans-73.8-39.5171.9-68.1170.3000111.5A422 V423 R424 E428 Q429 A430A422-L426 WeakPolarHBondContact O-CG 3.04Å; A422-L426 PolarHBondContact O-N 2.91Å; V423-L426 PolarHBondContact O-N 3.03Å; R424-L426 VanDerWaalsContact C-N 3.26Å; R424-L426 PolarHBondContact O-N 3.26Å; L426-E428 VanDerWaalsContact C-N 3.33Å; L426-Q429 CarbonylContact O-C 3.59Å; L426-Q429 PolarHBondContact O-N 2.84Å; L426-A430 PolarHBondContact O-N 3.17Å; L426-A430 VanDerWaalsContact O-N 3.1Å
427Q82.2Confident74.4Confident143 Ų143118.6 Ų118.667%0.66862%0.623SS**Hα-helixtrans-65.7-34.6175.1-168.5175.318.400112.5V423 R424 Q429V423-Q427 WeakPolarHBondContact O-CB 3.36Å; V423-Q427 PolarHBondContact O-N 3.48Å; R424-Q427 CarbonylContact O-C 3.6Å; R424-Q427 WeakPolarHBondContact O-CB 3.3Å; R424-Q427 PolarHBondContact O-N 2.83Å; R424-Q427 VanDerWaalsContact O-N 3.12Å; Q427-Q429 VanDerWaalsContact C-N 3.33Å
428E76.5Confident72Confident156 Ų156120.7 Ų120.773%0.72964%0.64SS**Hα-helixtrans-75.8-18.8173.6-71.1165.2-175.900113R424 L426R424-E428 WeakPolarHBondContact O-CB 3.45Å; R424-E428 VanDerWaalsContact O-CG 3.32Å; R424-E428 WeakPolarHBondContact O-CG 3.47Å; R424-E428 PolarHBondContact O-N 3.35Å; L426-E428 VanDerWaalsContact C-N 3.33Å
429Q68.3Low69.2Low146 Ų146120 Ų12068%0.68266%0.655SS**Hα-helixtrans-95.3-6175.6-74.3167.131.700113.4S425 L426 Q427S425-Q429 WeakPolarHBondContact O-CB 3.3Å; S425-Q429 WeakPolarHBondContact O-CG 3.46Å; S425-Q429 PolarHBondContact O-N 2.99Å; S425-Q429 PolarHBondContact O-NE2 3.23Å; L426-Q429 CarbonylContact O-C 3.59Å; L426-Q429 PolarHBondContact O-N 2.84Å; Q427-Q429 VanDerWaalsContact C-N 3.33Å
430A57Low67Low61 Ų61125.7 Ų125.750%0.50468%0.679SS.*SBendtrans-63.4129.416900000109.3L426 R432L426-A430 PolarHBondContact O-N 3.17Å; L426-A430 VanDerWaalsContact O-N 3.1Å; A430-R432 PolarHBondContact O-N 3.43Å
431P55.7Low64.6Low114 Ų114123.9 Ų123.974%0.7469%0.687SS**  trans-64.6130.2-175.625.7-33.6000110.8E433P431-E433 PolarHBondContact O-N 3.06Å
432R57.2Low62.9Low236 Ų236124.8 Ų124.889%0.89170%0.695SS**  trans-67.999.5157.1-84.5-174.5168.7-167.9-3.4107.8A430 E434A430-R432 PolarHBondContact O-N 3.43Å; R432-E434 PolarHBondContact O-N 3.02Å; R432-E434 VanDerWaalsContact O-N 3.15Å
433E50.8Low60.5Low179 Ų179129.2 Ų129.284%0.83671%0.714SS**  trans-66.9106156.8-67-168.514900107.6P431 A435P431-E433 PolarHBondContact O-N 3.06Å; E433-A435 PolarHBondContact O-N 3.45Å
434E45.8Very low58.7Low172 Ų172130.1 Ų130.180%0.80472%0.723SS**  trans-67.9128.5165.3-63.9-168.5150.300108R432 P436R432-E434 PolarHBondContact O-N 3.02Å; R432-E434 VanDerWaalsContact O-N 3.15Å; E434-P436 WeakPolarHBondContact O-CD 3.35Å
435A42.5Very low56.7Low102 Ų102133 Ų13384%0.84374%0.739SS**  trans-100.697.6-177.600000110.9E433E433-A435 PolarHBondContact O-N 3.45Å
436P48.4Very low54.7Low123 Ų123136.2 Ų136.280%0.79976%0.761SS**  trans-83.3148.6165.134.8-34.9000110.8E434E434-P436 WeakPolarHBondContact O-CD 3.35Å
437G42.9Very low52.8Low78 Ų78142.8 Ų142.880%0.80478%0.778SS**  trans96.5111.5157.100000116
438S46.7Very low51.2Low116 Ų116138.4 Ų138.481%0.81177%0.771SS**  trans-59.9135.5152.2170.60000110.5
439C38.3Very low49.9Very low118 Ų118139.3 Ų139.380%0.79778%0.78SS**  trans-161117.7145.7-106.90000110T441C439-T441 PolarHBondContact O-N 3.02Å
440E48.3Very low48.8Very low197 Ų197140.5 Ų140.592%0.92179%0.79SS**  trans-84.3100.8166.2-66.8-175.5128.300109.9
441T45.8Very low48.3Very low130 Ų130140.5 Ų140.580%0.79880%0.796SS**  trans-142.9139.5161.5-35.10000111.1C439C439-T441 PolarHBondContact O-N 3.02Å
442D59.3Low48Very low129 Ų129142.7 Ų142.769%0.6980%0.797SS**  trans-59.7130.1175.6175.426.5000112.9C444D442-C444 PolarHBondContact OD1-N 2.95Å; D442-C444 PolarHBondContact OD1-SG 3.36Å
443D42.2Very low47.7Very low131 Ų131135.1 Ų135.170%0.70178%0.784SS**  trans-152.786.2146.6-144.6-24.5000112.3K445D443-K445 VanDerWaalsContact C-N 3.32Å; D443-K445 PolarHBondContact O-N 3.4Å
444C55.3Low47.8Very low112 Ų112129 Ų12976%0.75777%0.769SS**THydrogen-bonded Turntrans-69.572.9-179.9-67.20000114.1D442D442-C444 PolarHBondContact OD1-N 2.95Å; D442-C444 PolarHBondContact OD1-SG 3.36Å
445K51.3Low48.3Very low190 Ų190122.8 Ų122.883%0.82675%0.751SS**THydrogen-bonded Turntrans-149.5-7.5174.2-104126.9-166.5171.70120.3D443D443-K445 VanDerWaalsContact C-N 3.32Å; D443-K445 PolarHBondContact O-N 3.4Å
446S45.4Very low49.2Very low112 Ų112120.6 Ų120.678%0.78373%0.73SS**  trans-99.6-3.4-170.853.70000116.5G448S446-G448 PolarHBondContact O-N 3.47Å
447R49Very low49.9Very low254 Ų254122 Ų12296%0.95873%0.726SS**THydrogen-bonded Turntrans-78.554.7178.8-158.1-17578.3-171.84.6113.1
448G48.7Very low51.1Low51 Ų51121.8 Ų121.853%0.52672%0.716SS.*THydrogen-bonded Turntrans-132.2-30.5-172.500000117.4S446S446-G448 PolarHBondContact O-N 3.47Å
449L48.5Very low52.5Low174 Ų174123.7 Ų123.791%0.91171%0.706SS**SBendtrans-136.38.3-166.8-69.3174.9000116.2
450L46.7Very low54.4Low171 Ų171121.9 Ų121.990%0.89569%0.688SS**SBendtrans-129.7-4179.6-99.9157000114.5
451G46.4Very low56.2Low61 Ų61113.9 Ų113.963%0.62966%0.658SS**SBendtrans-91.3-18.1-177.700000115.7G455G451-G455 PolarHBondContact O-N 3.46Å
452E49Very low58.1Low161 Ų161109.3 Ų109.375%0.75263%0.634SS**Hα-helixtrans-82-30-167.4-60.2-159.1137.400114.1G455 S456E452-G455 PolarHBondContact O-N 3.04Å; E452-S456 WeakPolarHBondContact O-CB 3.47Å; E452-S456 PolarHBondContact O-N 2.89Å
453A50.6Low59.4Low76 Ų76107 Ų10763%0.62862%0.619SS**Hα-helixtrans-64.4-61.5-177.800000112.4G455 S456 E457A453-G455 PolarHBondContact O-N 3.35Å; A453-S456 PolarHBondContact O-N 2.69Å; A453-S456 VanDerWaalsContact O-N 3.16Å; A453-E457 PolarHBondContact O-N 2.83Å; A453-E457 VanDerWaalsContact O-N 3.13Å
454G52.3Low61.7Low50 Ų50106.6 Ų106.652%0.51561%0.613SS.*Hα-helixtrans-66.6-26.3176.200000113.2A458G454-A458 WeakPolarHBondContact O-CB 3.08Å; G454-A458 PolarHBondContact O-N 2.71Å; G454-A458 VanDerWaalsContact O-N 3.14Å
455G56.3Low63.5Low42 Ų42106.8 Ų106.843%0.43361%0.606SS.*Hα-helixtrans-66.1-37.7171.400000113.4G451 E452 A453 R459G451-G455 PolarHBondContact O-N 3.46Å; E452-G455 PolarHBondContact O-N 3.04Å; A453-G455 PolarHBondContact O-N 3.35Å; G455-R459 WeakPolarHBondContact O-CB 3.44Å; G455-R459 PolarHBondContact O-N 2.84Å
456S61.1Low65.4Low56 Ų56104.9 Ų104.939%0.39259%0.593SS.*Hα-helixtrans-67.8-56172.3-157.90000110.5E452 A453 A458 R459 D460E452-S456 WeakPolarHBondContact O-CB 3.47Å; E452-S456 PolarHBondContact O-N 2.89Å; A453-S456 PolarHBondContact O-N 2.69Å; A453-S456 VanDerWaalsContact O-N 3.16Å; S456-A458 VanDerWaalsContact C-N 3.3Å; S456-A458 PolarHBondContact O-N 2.91Å; S456-R459 CarbonylContact O-C 3.51Å; S456-R459 WeakPolarHBondContact O-CA 3.31Å; S456-R459 WeakPolarHBondContact O-CB 3.43Å; S456-R459 PolarHBondContact O-N 3.28Å; S456-D460 WeakPolarHBondContact O-CB 3.49Å; S456-D460 PolarHBondContact O-N 3.36Å; S456-D460 PolarHBondContact OG-OD2 2.7Å
457E63.3Low67.6Low154 Ų154102.2 Ų102.272%0.7258%0.578SS**Hα-helixtrans-57.3-40.3-175.3-66.3-172.8158.300113.3A453 G461A453-E457 PolarHBondContact O-N 2.83Å; A453-E457 VanDerWaalsContact O-N 3.13Å; E457-G461 PolarHBondContact O-N 3.44Å
458A69.3Low69.6Low73 Ų7394.7 Ų94.760%0.60355%0.554SS**Hα-helixtrans-67.2-34.6174.800000112.9G454 S456 A462G454-A458 WeakPolarHBondContact O-CB 3.08Å; G454-A458 PolarHBondContact O-N 2.71Å; G454-A458 VanDerWaalsContact O-N 3.14Å; S456-A458 VanDerWaalsContact C-N 3.3Å; S456-A458 PolarHBondContact O-N 2.91Å; A458-A462 WeakPolarHBondContact O-CB 3.49Å; A458-A462 PolarHBondContact O-N 3.49Å; A458-A462 VanDerWaalsContact O-N 3.11Å
459R75Confident71.8Confident156 Ų15696.9 Ų96.959%0.58955%0.553SS**Hα-helixtrans-72.9-45.2175.5175.2-178.6172.8-168.2-10.8111.8G455 S456 G461 A462 E463G455-R459 WeakPolarHBondContact O-CB 3.44Å; G455-R459 PolarHBondContact O-N 2.84Å; S456-R459 CarbonylContact O-C 3.51Å; S456-R459 WeakPolarHBondContact O-CA 3.31Å; S456-R459 WeakPolarHBondContact O-CB 3.43Å; S456-R459 PolarHBondContact O-N 3.28Å; R459-G461 VanDerWaalsContact C-N 3.34Å; R459-A462 CarbonylContact O-C 3.59Å; R459-A462 WeakPolarHBondContact O-CA 3.49Å; R459-A462 WeakPolarHBondContact O-CB 3.33Å; R459-A462 PolarHBondContact O-N 2.98Å; R459-A462 VanDerWaalsContact O-N 3.08Å; R459-E463 IonicContact CZ-OE1 3.77Å; R459-E463 IonicContact NE-OE1 2.7Å; R459-E463 PolarHBondContact NE-OE1 3.01Å; R459-E463 IonicContact NH2-OE1 2.8Å; R459-E463 PolarHBondContact NH2-OE1 3.07Å; R459-E463 WeakPolarHBondContact O-CG 2.96Å; R459-E463 PolarHBondContact O-N 2.92Å
460D79.1Confident74Confident80 Ų8093.4 Ų93.443%0.42854%0.535SS..Hα-helixtrans-63.9-41.9179.8-64.1-41.8000109.9S456 A462 E463 Q464S456-D460 WeakPolarHBondContact O-CB 3.49Å; S456-D460 PolarHBondContact O-N 3.36Å; S456-D460 PolarHBondContact OG-OD2 2.7Å; D460-A462 PolarHBondContact O-N 2.69Å; D460-E463 PolarHBondContact O-N 3.07Å; D460-Q464 WeakPolarHBondContact O-CB 3.3Å; D460-Q464 PolarHBondContact O-N 3.48Å
461G86.8Confident76.2Confident28 Ų2891.4 Ų91.429%0.28952%0.521SS..Hα-helixtrans-62.1-38.8169.300000113.5E457 R459 Q464 L465E457-G461 PolarHBondContact O-N 3.44Å; R459-G461 VanDerWaalsContact C-N 3.34Å; G461-Q464 PolarHBondContact O-N 3.07Å; G461-L465 WeakPolarHBondContact O-CB 3.46Å; G461-L465 WeakPolarHBondContact O-CG 3.48Å; G461-L465 PolarHBondContact O-N 2.76Å
462A84.1Confident78.4Confident35 Ų3592.8 Ų92.829%0.28951%0.511SS..Hα-helixtrans-69.6-33.9174.500000112.9A458 R459 D460 R466A458-A462 WeakPolarHBondContact O-CB 3.49Å; A458-A462 PolarHBondContact O-N 3.49Å; A458-A462 VanDerWaalsContact O-N 3.11Å; R459-A462 CarbonylContact O-C 3.59Å; R459-A462 WeakPolarHBondContact O-CA 3.49Å; R459-A462 WeakPolarHBondContact O-CB 3.33Å; R459-A462 PolarHBondContact O-N 2.98Å; R459-A462 VanDerWaalsContact O-N 3.08Å; D460-A462 PolarHBondContact O-N 2.69Å; A462-R466 WeakPolarHBondContact O-CD 3.28Å; A462-R466 WeakPolarHBondContact O-CG 3.35Å; A462-R466 PolarHBondContact O-N 2.98Å; A462-R466 VanDerWaalsContact O-N 3.07Å
463E86.7Confident80.5Confident80 Ų8092.4 Ų92.437%0.37450%0.503SS..Hα-helixtrans-72.3-35.6173.7-70.9-175.7-156.100111.4R459 D460 R466 A467R459-E463 IonicContact CZ-OE1 3.77Å; R459-E463 IonicContact NE-OE1 2.7Å; R459-E463 PolarHBondContact NE-OE1 3.01Å; R459-E463 IonicContact NH2-OE1 2.8Å; R459-E463 PolarHBondContact NH2-OE1 3.07Å; R459-E463 WeakPolarHBondContact O-CG 2.96Å; R459-E463 PolarHBondContact O-N 2.92Å; D460-E463 PolarHBondContact O-N 3.07Å; E463-R466 WeakPolarHBondContact O-CB 3.31Å; E463-R466 PolarHBondContact O-N 3.34Å; E463-A467 PolarHBondContact O-N 3.26Å
464Q91.8Very high82.7Confident123 Ų12393.8 Ų93.858%0.57550%0.499SS*.Hα-helixtrans-64-47.2171-172.5169.82.200112.2D460 G461 R466 A467 E468D460-Q464 WeakPolarHBondContact O-CB 3.3Å; D460-Q464 PolarHBondContact O-N 3.48Å; G461-Q464 PolarHBondContact O-N 3.07Å; Q464-R466 VanDerWaalsContact C-N 3.29Å; Q464-R466 PolarHBondContact O-N 3.41Å; Q464-A467 WeakPolarHBondContact O-CB 3.41Å; Q464-A467 PolarHBondContact O-N 3.05Å; Q464-A467 VanDerWaalsContact O-N 3.07Å; Q464-E468 PolarHBondContact O-N 2.93Å
465L92Very high84.6Confident115 Ų11598 Ų9860%0.60250%0.499SS*.Hα-helixtrans-62.9-32.5174.8-72.6170000112.8G461 L469G461-L465 WeakPolarHBondContact O-CB 3.46Å; G461-L465 WeakPolarHBondContact O-CG 3.48Å; G461-L465 PolarHBondContact O-N 2.76Å; L465-L469 WeakPolarHBondContact O-CB 3.46Å; L465-L469 PolarHBondContact O-N 3.38Å
466R91.4Very high86.4Confident150 Ų15097.6 Ų97.657%0.56650%0.495SS*.Hα-helixtrans-66.9-39.7171.3-72.8162.5-172.5160.81.4111.6A462 E463 Q464 L469 L470A462-R466 WeakPolarHBondContact O-CD 3.28Å; A462-R466 WeakPolarHBondContact O-CG 3.35Å; A462-R466 PolarHBondContact O-N 2.98Å; A462-R466 VanDerWaalsContact O-N 3.07Å; E463-R466 WeakPolarHBondContact O-CB 3.31Å; E463-R466 PolarHBondContact O-N 3.34Å; Q464-R466 VanDerWaalsContact C-N 3.29Å; Q464-R466 PolarHBondContact O-N 3.41Å; R466-L469 PolarHBondContact O-N 2.9Å; R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 2.84Å
467A90.8Very high87.9Confident57 Ų57100.4 Ų100.447%0.47150%0.502SS..Hα-helixtrans-65.6-43.9175.800000111.9E463 Q464 L470 Q471E463-A467 PolarHBondContact O-N 3.26Å; Q464-A467 WeakPolarHBondContact O-CB 3.41Å; Q464-A467 PolarHBondContact O-N 3.05Å; Q464-A467 VanDerWaalsContact O-N 3.07Å; A467-L470 PolarHBondContact O-N 3.49Å; A467-Q471 WeakPolarHBondContact O-CB 3.33Å; A467-Q471 PolarHBondContact O-N 3.21Å
468E91.8Very high89.4Confident96 Ų9697.9 Ų97.945%0.44949%0.49SS..Hα-helixtrans-61.1-43.8174.1-70.4178.2-172.200111.8Q464 L470 Q471 E472Q464-E468 PolarHBondContact O-N 2.93Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 2.95Å; E468-Q471 PolarHBondContact O-N 2.98Å; E468-E472 PolarHBondContact O-N 3.13Å
469L94.8Very high90.4Very high96 Ų9698.3 Ų98.350%0.50348%0.48SS..Hα-helixtrans-62.3-37.7175.4179.863.8000112.6L465 R466 R473L465-L469 WeakPolarHBondContact O-CB 3.46Å; L465-L469 PolarHBondContact O-N 3.38Å; R466-L469 PolarHBondContact O-N 2.9Å; L469-R473 WeakPolarHBondContact O-CB 3.16Å; L469-R473 WeakPolarHBondContact O-CG 3.49Å; L469-R473 PolarHBondContact O-N 3.46Å
470L95.2Very high91.2Very high101 Ų10193.1 Ų93.153%0.52947%0.47SS..Hα-helixtrans-69.6-39.8174.1-73.1170.5000111.7R466 A467 E468 R473 L474R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 2.84Å; A467-L470 PolarHBondContact O-N 3.49Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 2.95Å; L470-R473 PolarHBondContact O-N 3.38Å; L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 2.97Å
471Q92.8Very high92.1Very high130 Ų13093.8 Ų93.861%0.60747%0.474SS*.Hα-helixtrans-62.2-47.7176-17317744.800111.6A467 E468 R473 L474 R475A467-Q471 WeakPolarHBondContact O-CB 3.33Å; A467-Q471 PolarHBondContact O-N 3.21Å; E468-Q471 PolarHBondContact O-N 2.98Å; Q471-R473 VanDerWaalsContact C-N 3.34Å; Q471-R473 PolarHBondContact O-N 3.24Å; Q471-L474 PolarHBondContact O-N 3.47Å; Q471-R475 VanDerWaalsContact O-CB 3.3Å; Q471-R475 WeakPolarHBondContact O-CB 3.34Å; Q471-R475 PolarHBondContact O-N 2.93Å
472E92.5Very high92.5Very high90 Ų9098.9 Ų98.942%0.42148%0.484SS..Hα-helixtrans-67.4-32.1176.6-76.3-59.8123.800112.6E468 R475 G476E468-E472 PolarHBondContact O-N 3.13Å; E472-R475 PolarHBondContact O-N 3Å; E472-R475 WeakPolarHBondContact OE1-CD 3.43Å; E472-R475 IonicContact OE1-CZ 3.32Å; E472-R475 IonicContact OE1-NE 3.92Å; E472-R475 IonicContact OE1-NH1 2.69Å; E472-R475 PolarHBondContact OE1-NH1 2.85Å; E472-R475 IonicContact OE2-NH1 3.55Å; E472-G476 PolarHBondContact O-N 3.13Å
473R93.8Very high93Very high153 Ų153102.2 Ų102.258%0.57749%0.492SS*.Hα-helixtrans-64.2-39.9170.5-79.4172.4176.4-162.9-0.3112.8L469 L470 Q471 Q477L469-R473 WeakPolarHBondContact O-CB 3.16Å; L469-R473 WeakPolarHBondContact O-CG 3.49Å; L469-R473 PolarHBondContact O-N 3.46Å; L470-R473 PolarHBondContact O-N 3.38Å; Q471-R473 VanDerWaalsContact C-N 3.34Å; Q471-R473 PolarHBondContact O-N 3.24Å; R473-Q477 WeakPolarHBondContact O-CG 3.5Å; R473-Q477 PolarHBondContact O-N 3.39Å; R473-Q477 VanDerWaalsContact O-N 3.08Å; R473-Q477 PolarHBondContact O-NE2 3.34Å; R473-Q477 VanDerWaalsContact O-NE2 3.09Å
474L95.4Very high93.5Very high104 Ų104101.9 Ų101.955%0.54549%0.491SS..Hα-helixtrans-69.8-44.4175.5-70.9166.4000110.9L470 Q471 G476 Q477 E478L470-L474 WeakPolarHBondContact O-CG 3.37Å; L470-L474 PolarHBondContact O-N 2.97Å; Q471-L474 PolarHBondContact O-N 3.47Å; L474-G476 VanDerWaalsContact C-N 3.28Å; L474-G476 PolarHBondContact O-N 2.72Å; L474-Q477 WeakPolarHBondContact O-CB 3.2Å; L474-Q477 PolarHBondContact O-N 3.09Å; L474-Q477 VanDerWaalsContact O-N 3.11Å; L474-E478 PolarHBondContact O-N 3.12Å
475R92.6Very high93.8Very high139 Ų139101.8 Ų101.853%0.52549%0.49SS..Hα-helixtrans-58.8-38174.5-166.5-170.5-178.8-179-0.2112.1Q471 E472 Q479Q471-R475 VanDerWaalsContact O-CB 3.3Å; Q471-R475 WeakPolarHBondContact O-CB 3.34Å; Q471-R475 PolarHBondContact O-N 2.93Å; E472-R475 PolarHBondContact O-N 3Å; E472-R475 WeakPolarHBondContact OE1-CD 3.43Å; E472-R475 IonicContact OE1-CZ 3.32Å; E472-R475 IonicContact OE1-NE 3.92Å; E472-R475 IonicContact OE1-NH1 2.69Å; E472-R475 PolarHBondContact OE1-NH1 2.85Å; E472-R475 IonicContact OE2-NH1 3.55Å; R475-Q479 VanDerWaalsContact O-CG 3.3Å; R475-Q479 WeakPolarHBondContact O-CG 3.48Å; R475-Q479 PolarHBondContact O-N 3.11Å; R475-Q479 PolarHBondContact O-NE2 3.49Å
476G93.9Very high94Very high34 Ų34101.1 Ų101.135%0.35148%0.484SS..Hα-helixtrans-67.8-40.2173.300000113.1E472 L474 Q479 A480E472-G476 PolarHBondContact O-N 3.13Å; L474-G476 VanDerWaalsContact C-N 3.28Å; L474-G476 PolarHBondContact O-N 2.72Å; G476-Q479 PolarHBondContact O-N 2.95Å; G476-A480 WeakPolarHBondContact O-CB 3.2Å; G476-A480 PolarHBondContact O-N 3.16Å
477Q93.6Very high94.3Very high115 Ų115101 Ų10154%0.53748%0.484SS..Hα-helixtrans-64.3-42.9173.1-74.6167.166.300111.9R473 L474 Q479 A480 L481R473-Q477 WeakPolarHBondContact O-CG 3.5Å; R473-Q477 PolarHBondContact O-N 3.39Å; R473-Q477 VanDerWaalsContact O-N 3.08Å; R473-Q477 PolarHBondContact O-NE2 3.34Å; R473-Q477 VanDerWaalsContact O-NE2 3.09Å; L474-Q477 WeakPolarHBondContact O-CB 3.2Å; L474-Q477 PolarHBondContact O-N 3.09Å; L474-Q477 VanDerWaalsContact O-N 3.11Å; Q477-Q479 VanDerWaalsContact C-N 3.33Å; Q477-Q479 PolarHBondContact O-N 3.18Å; Q477-A480 PolarHBondContact O-N 3.25Å; Q477-L481 WeakPolarHBondContact O-CG 3.28Å; Q477-L481 PolarHBondContact O-N 3.08Å
478E93.4Very high94.7Very high101 Ų101105.7 Ų105.747%0.47249%0.489SS..Hα-helixtrans-59.3-43.1173-76.5-170.2-149.100112.3L474 L481 R482L474-E478 PolarHBondContact O-N 3.12Å; E478-L481 PolarHBondContact O-N 2.73Å; E478-R482 VanDerWaalsContact O-CG 3.24Å; E478-R482 WeakPolarHBondContact O-CG 3.46Å; E478-R482 PolarHBondContact O-N 2.88Å; E478-R482 IonicContact OE2-CZ 3.79Å; E478-R482 IonicContact OE2-NH2 3.39Å; E478-R482 PolarHBondContact OE2-NH2 3.44Å
479Q90.8Very high94.9Very high82 Ų82105 Ų10538%0.38349%0.491SS..Hα-helixtrans-63.5-43.6175.6-73.5171.746.400111.5R475 G476 Q477 L481 R482 F483R475-Q479 VanDerWaalsContact O-CG 3.3Å; R475-Q479 WeakPolarHBondContact O-CG 3.48Å; R475-Q479 PolarHBondContact O-N 3.11Å; R475-Q479 PolarHBondContact O-NE2 3.49Å; G476-Q479 PolarHBondContact O-N 2.95Å; Q477-Q479 VanDerWaalsContact C-N 3.33Å; Q477-Q479 PolarHBondContact O-N 3.18Å; Q479-L481 VanDerWaalsContact C-N 3.34Å; Q479-L481 PolarHBondContact O-N 2.94Å; Q479-R482 PolarHBondContact O-N 2.94Å; Q479-F483 HydrophobicContact CB-CE2 4.25Å; Q479-F483 WeakPolarHBondContact O-CD2 3.34Å; Q479-F483 WeakPolarHBondContact O-CG 3.35Å; Q479-F483 PolarHBondContact O-N 2.76Å
480A93.1Very high95.1Very high47 Ų47109.5 Ų109.539%0.38850%0.502SS..Hα-helixtrans-59.1-43.2175.800000112.2G476 Q477 F483 E484G476-A480 WeakPolarHBondContact O-CB 3.2Å; G476-A480 PolarHBondContact O-N 3.16Å; Q477-A480 PolarHBondContact O-N 3.25Å; A480-F483 PolarHBondContact O-N 3.2Å; A480-E484 PolarHBondContact O-N 3.41Å
481L96.5Very high95.2Very high94 Ų94108.8 Ų108.849%0.49250%0.496SS..Hα-helixtrans-65.6-37.7175.7-71.4171.5000112.7Q477 E478 Q479 E484 Q485Q477-L481 WeakPolarHBondContact O-CG 3.28Å; Q477-L481 PolarHBondContact O-N 3.08Å; E478-L481 PolarHBondContact O-N 2.73Å; Q479-L481 VanDerWaalsContact C-N 3.34Å; Q479-L481 PolarHBondContact O-N 2.94Å; L481-E484 PolarHBondContact O-N 2.79Å; L481-Q485 VanDerWaalsContact O-CG 3.31Å; L481-Q485 WeakPolarHBondContact O-CG 3.46Å; L481-Q485 PolarHBondContact O-N 3.41Å
482R95.6Very high95.5Very high134 Ų134107.4 Ų107.451%0.50649%0.489SS..Hα-helixtrans-63.8-46.2172.8-67.7166.8-158-158.27.1110.9E478 Q479 E484 Q485 E486E478-R482 VanDerWaalsContact O-CG 3.24Å; E478-R482 WeakPolarHBondContact O-CG 3.46Å; E478-R482 PolarHBondContact O-N 2.88Å; E478-R482 IonicContact OE2-CZ 3.79Å; E478-R482 IonicContact OE2-NH2 3.39Å; E478-R482 PolarHBondContact OE2-NH2 3.44Å; Q479-R482 PolarHBondContact O-N 2.94Å; R482-E484 VanDerWaalsContact C-N 3.28Å; R482-E484 PolarHBondContact O-N 2.99Å; R482-Q485 WeakPolarHBondContact O-CB 3.49Å; R482-Q485 PolarHBondContact O-N 2.93Å; R482-Q485 VanDerWaalsContact O-N 3.11Å; R482-E486 WeakPolarHBondContact O-CG 3.19Å; R482-E486 PolarHBondContact O-N 3.33Å
483F95.3Very high95.7Very high105 Ų105107.4 Ų107.446%0.46149%0.489SS..Hα-helixtrans-64-29.4174.5-66.3-51.8000113.2Q479 A480 R487Q479-F483 HydrophobicContact CB-CE2 4.25Å; Q479-F483 WeakPolarHBondContact O-CD2 3.34Å; Q479-F483 WeakPolarHBondContact O-CG 3.35Å; Q479-F483 PolarHBondContact O-N 2.76Å; A480-F483 PolarHBondContact O-N 3.2Å; F483-R487 WeakPolarHBondContact O-CB 3.36Å; F483-R487 VanDerWaalsContact O-CG 3.31Å; F483-R487 WeakPolarHBondContact O-CG 3.46Å; F483-R487 PolarHBondContact O-N 3.3Å
484E97.3Very high95.9Very high74 Ų74105.4 Ų105.435%0.34649%0.485SS..Hα-helixtrans-68.2-41.8169.7-82.4-166.9-153.600113A480 L481 R482 E486 R487 R488A480-E484 PolarHBondContact O-N 3.41Å; L481-E484 PolarHBondContact O-N 2.79Å; R482-E484 VanDerWaalsContact C-N 3.28Å; R482-E484 PolarHBondContact O-N 2.99Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E484-R487 VanDerWaalsContact CG-NH2 3.27Å; E484-R487 PolarHBondContact O-N 2.81Å; E484-R488 VanDerWaalsContact O-CG 3.28Å; E484-R488 WeakPolarHBondContact O-CG 3.29Å; E484-R488 PolarHBondContact O-N 3.18Å; E484-R488 IonicContact OE2-CZ 3.91Å; E484-R488 IonicContact OE2-NH2 3.81Å; E484-R488 PolarHBondContact OE2-NH2 2.79Å
485Q96.8Very high96.1Very high121 Ų121103.3 Ų103.357%0.56547%0.472SS*.Hα-helixtrans-62.7-43.9175.8-68.6164.923.800110.5L481 R482 R488 T489L481-Q485 VanDerWaalsContact O-CG 3.31Å; L481-Q485 WeakPolarHBondContact O-CG 3.46Å; L481-Q485 PolarHBondContact O-N 3.41Å; R482-Q485 WeakPolarHBondContact O-CB 3.49Å; R482-Q485 PolarHBondContact O-N 2.93Å; R482-Q485 VanDerWaalsContact O-N 3.11Å; Q485-R488 PolarHBondContact O-N 3.25Å; Q485-T489 PolarHBondContact O-N 3.21Å; Q485-T489 PolarHBondContact O-OG1 2.92Å
486E97.4Very high96.4Very high100 Ų100102 Ų10247%0.46747%0.467SS..Hα-helixtrans-60.3-44.3172.4-70.6174-17000112.4R482 E484 R488 T489 W490R482-E486 WeakPolarHBondContact O-CG 3.19Å; R482-E486 PolarHBondContact O-N 3.33Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E486-R488 VanDerWaalsContact C-N 3.28Å; E486-R488 PolarHBondContact O-N 3.26Å; E486-T489 PolarHBondContact O-N 3.48Å; E486-T489 PolarHBondContact O-OG1 3.01Å; E486-W490 WeakPolarHBondContact O-CB 3.38Å; E486-W490 VanDerWaalsContact O-CD1 3.24Å; E486-W490 PolarHBondContact O-N 3.43Å
487R97.8Very high96.6Very high149 Ų149103.4 Ų103.456%0.56247%0.468SS*.Hα-helixtrans-60.3-37174.8-79.6-174.1-67.5-90.94.9112.4F483 E484 Q491F483-R487 WeakPolarHBondContact O-CB 3.36Å; F483-R487 VanDerWaalsContact O-CG 3.31Å; F483-R487 WeakPolarHBondContact O-CG 3.46Å; F483-R487 PolarHBondContact O-N 3.3Å; E484-R487 VanDerWaalsContact CG-NH2 3.27Å; E484-R487 PolarHBondContact O-N 2.81Å; R487-Q491 WeakPolarHBondContact O-CB 3.37Å; R487-Q491 PolarHBondContact O-N 2.95Å
488R97.7Very high96.8Very high155 Ų155100.6 Ų100.659%0.58546%0.457SS*.Hα-helixtrans-67.7-47.4176.3-67.7169.1-157.2-159.27.6111.3E484 Q485 E486 W490 Q491 E492E484-R488 VanDerWaalsContact O-CG 3.28Å; E484-R488 WeakPolarHBondContact O-CG 3.29Å; E484-R488 PolarHBondContact O-N 3.18Å; E484-R488 IonicContact OE2-CZ 3.91Å; E484-R488 IonicContact OE2-NH2 3.81Å; E484-R488 PolarHBondContact OE2-NH2 2.79Å; Q485-R488 PolarHBondContact O-N 3.25Å; E486-R488 VanDerWaalsContact C-N 3.28Å; E486-R488 PolarHBondContact O-N 3.26Å; R488-W490 PolarHBondContact O-N 2.89Å; R488-Q491 PolarHBondContact O-N 3.4Å; R488-E492 PolarHBondContact O-N 3.36Å
489T97.2Very high97.1Very high80 Ų80101.4 Ų101.449%0.49146%0.456SS..Hα-helixtrans-65.3-38.2178.557.60000112.4Q485 E486 E492 E493Q485-T489 PolarHBondContact O-N 3.21Å; Q485-T489 PolarHBondContact O-OG1 2.92Å; E486-T489 PolarHBondContact O-N 3.48Å; E486-T489 PolarHBondContact O-OG1 3.01Å; T489-E492 PolarHBondContact O-N 3.46Å; T489-E493 WeakPolarHBondContact O-CB 3.5Å; T489-E493 PolarHBondContact O-N 2.71Å
490W98.3Very high97.4Very high192 Ų192104.2 Ų104.273%0.72746%0.464SS*.Hα-helixtrans-62.9-41.5172.2-87.1109.8000113.1E486 R488 E493 K494E486-W490 WeakPolarHBondContact O-CB 3.38Å; E486-W490 VanDerWaalsContact O-CD1 3.24Å; E486-W490 PolarHBondContact O-N 3.43Å; R488-W490 PolarHBondContact O-N 2.89Å; W490-E493 PolarHBondContact O-N 2.7Å; W490-K494 VanDerWaalsContact O-CB 3.24Å; W490-K494 WeakPolarHBondContact O-CB 3.35Å; W490-K494 PolarHBondContact O-N 3.3Å
491Q97.8Very high97.7Very high86 Ų86106.3 Ų106.340%0.40247%0.466SS..Hα-helixtrans-70.4-35.4177178.5563500111.9R487 R488 E495R487-Q491 WeakPolarHBondContact O-CB 3.37Å; R487-Q491 PolarHBondContact O-N 2.95Å; R488-Q491 PolarHBondContact O-N 3.4Å; Q491-E495 PolarHBondContact NE2-OE1 2.87Å; Q491-E495 WeakPolarHBondContact O-CG 3.34Å; Q491-E495 PolarHBondContact O-N 3.36Å; Q491-E495 VanDerWaalsContact O-N 3.07Å
492E98.3Very high97.8Very high101 Ų101108 Ų10847%0.47247%0.465SS..Hα-helixtrans-62.5-48.2170.6-78.7-174.7-136.100112.5R488 T489 K494 E495 R496R488-E492 PolarHBondContact O-N 3.36Å; T489-E492 PolarHBondContact O-N 3.46Å; E492-K494 VanDerWaalsContact C-N 3.35Å; E492-E495 PolarHBondContact O-N 3.38Å; E492-E495 VanDerWaalsContact O-N 3.15Å; E492-R496 WeakPolarHBondContact O-CG 3.42Å; E492-R496 PolarHBondContact O-N 3.14Å; E492-R496 IonicContact OE2-CZ 2.69Å; E492-R496 IonicContact OE2-NH2 3.61Å; E492-R496 PolarHBondContact OE2-NH2 3.46Å
493E98Very high97.9Very high89 Ų89107.6 Ų107.642%0.41647%0.469SS..Hα-helixtrans-65.1-40.2-179.1-168.660.2-152.100111.2T489 W490 E495 R496 V497T489-E493 WeakPolarHBondContact O-CB 3.5Å; T489-E493 PolarHBondContact O-N 2.71Å; W490-E493 PolarHBondContact O-N 2.7Å; E493-E495 VanDerWaalsContact C-N 3.33Å; E493-E495 PolarHBondContact O-N 3.29Å; E493-R496 WeakPolarHBondContact O-CB 3.42Å; E493-R496 PolarHBondContact O-N 3.31Å; E493-R496 VanDerWaalsContact O-N 3.12Å; E493-R496 VanDerWaalsContact OE2-CD 3.3Å; E493-R496 WeakPolarHBondContact OE2-CD 3.44Å; E493-R496 IonicContact OE2-CZ 3.99Å; E493-R496 IonicContact OE2-NE 2.73Å; E493-R496 IonicContact OE2-NH1 3.64Å; E493-R496 PolarHBondContact OE2-NH1 3.12Å; E493-V497 WeakPolarHBondContact O-CG2 3.34Å; E493-V497 PolarHBondContact O-N 2.96Å
494K98.4Very high98Very high112 Ų112107 Ų10749%0.48747%0.47SS..Hα-helixtrans-55.6-45.2169.7174.8179.9158.8-157.10111.9W490 E492 V497 L498W490-K494 VanDerWaalsContact O-CB 3.24Å; W490-K494 WeakPolarHBondContact O-CB 3.35Å; W490-K494 PolarHBondContact O-N 3.3Å; E492-K494 VanDerWaalsContact C-N 3.35Å; K494-V497 PolarHBondContact O-N 3.1Å; K494-L498 HydrophobicContact CG-CD1 4.04Å; K494-L498 WeakPolarHBondContact O-CB 3.36Å; K494-L498 VanDerWaalsContact O-CG 3.27Å; K494-L498 WeakPolarHBondContact O-CG 3.34Å; K494-L498 PolarHBondContact O-N 3.18Å
495E98.4Very high98.1Very high60 Ų60109.2 Ų109.228%0.2848%0.48SS..Hα-helixtrans-69.6-29.3176.1-72-52.7141.700113.7Q491 E492 E493 R499 R502Q491-E495 PolarHBondContact NE2-OE1 2.87Å; Q491-E495 WeakPolarHBondContact O-CG 3.34Å; Q491-E495 PolarHBondContact O-N 3.36Å; Q491-E495 VanDerWaalsContact O-N 3.07Å; E492-E495 PolarHBondContact O-N 3.38Å; E492-E495 VanDerWaalsContact O-N 3.15Å; E493-E495 VanDerWaalsContact C-N 3.33Å; E493-E495 PolarHBondContact O-N 3.29Å; E495-R499 WeakPolarHBondContact O-CB 3.47Å; E495-R499 WeakPolarHBondContact O-CG 3.33Å; E495-R499 PolarHBondContact O-N 2.94Å; E495-R502 IonicContact OE2-NH2 2.66Å
496R98.6Very high98.1Very high112 Ų112105 Ų10542%0.42347%0.47SS..Hα-helixtrans-65.6-48.2170.6-64.8166.2-156.2168.5-1.7110.5E492 E493 L498 R499 Y500E492-R496 WeakPolarHBondContact O-CG 3.42Å; E492-R496 PolarHBondContact O-N 3.14Å; E492-R496 IonicContact OE2-CZ 2.69Å; E492-R496 IonicContact OE2-NH2 3.61Å; E492-R496 PolarHBondContact OE2-NH2 3.46Å; E493-R496 WeakPolarHBondContact O-CB 3.42Å; E493-R496 PolarHBondContact O-N 3.31Å; E493-R496 VanDerWaalsContact O-N 3.12Å; E493-R496 VanDerWaalsContact OE2-CD 3.3Å; E493-R496 WeakPolarHBondContact OE2-CD 3.44Å; E493-R496 IonicContact OE2-CZ 3.99Å; E493-R496 IonicContact OE2-NE 2.73Å; E493-R496 IonicContact OE2-NH1 3.64Å; E493-R496 PolarHBondContact OE2-NH1 3.12Å; R496-L498 PolarHBondContact O-N 3.22Å; R496-R499 PolarHBondContact O-N 2.92Å; R496-Y500 WeakPolarHBondContact O-CB 3.34Å; R496-Y500 PolarHBondContact O-N 2.9Å
497V98.6Very high98.2Very high62 Ų62102.4 Ų102.438%0.37647%0.469SS..Hα-helixtrans-60.5-44.3175.9172.40000111.4E493 K494 Y500 Q501E493-V497 WeakPolarHBondContact O-CG2 3.34Å; E493-V497 PolarHBondContact O-N 2.96Å; K494-V497 PolarHBondContact O-N 3.1Å; V497-Y500 PolarHBondContact O-N 3.39Å; V497-Q501 HydrophobicContact CG1-CG 4.39Å; V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 VanDerWaalsContact O-CG 3.31Å; V497-Q501 WeakPolarHBondContact O-CG 3.48Å; V497-Q501 PolarHBondContact O-N 3.25Å
498L98.5Very high98.2Very high56 Ų56101.5 Ų101.529%0.29347%0.466SS..Hα-helixtrans-66.5-35.5177.8-72173.5000112.8K494 R496 R502K494-L498 HydrophobicContact CG-CD1 4.04Å; K494-L498 WeakPolarHBondContact O-CB 3.36Å; K494-L498 VanDerWaalsContact O-CG 3.27Å; K494-L498 WeakPolarHBondContact O-CG 3.34Å; K494-L498 PolarHBondContact O-N 3.18Å; R496-L498 PolarHBondContact O-N 3.22Å; L498-R502 WeakPolarHBondContact O-CG 3.32Å; L498-R502 PolarHBondContact O-N 2.83Å; L498-R502 PolarHBondContact O-NE 3.16Å
499R98.3Very high98.2Very high118 Ų11898.7 Ų98.745%0.44546%0.461SS..Hα-helixtrans-63.6-51.2170.2-78.9-173.4-66.4-89.61111.3E495 R496 Q501 R502 E503E495-R499 WeakPolarHBondContact O-CB 3.47Å; E495-R499 WeakPolarHBondContact O-CG 3.33Å; E495-R499 PolarHBondContact O-N 2.94Å; R496-R499 PolarHBondContact O-N 2.92Å; R499-Q501 VanDerWaalsContact C-N 3.32Å; R499-Q501 PolarHBondContact O-N 2.93Å; R499-R502 WeakPolarHBondContact O-CB 3.35Å; R499-R502 PolarHBondContact O-N 3.48Å; R499-E503 WeakPolarHBondContact O-CG 3.47Å; R499-E503 PolarHBondContact O-N 3.14Å
500Y98.3Very high98.3Very high142 Ų14297.9 Ų97.956%0.55745%0.454SS*.Hα-helixtrans-59.7-39.3-179.9-178-116.6000113.2R496 V497 E503 I504R496-Y500 WeakPolarHBondContact O-CB 3.34Å; R496-Y500 PolarHBondContact O-N 2.9Å; V497-Y500 PolarHBondContact O-N 3.39Å; Y500-E503 PolarHBondContact O-N 3.13Å; Y500-I504 HydrophobicContact CD1-CD1 4.11Å; Y500-I504 HydrophobicContact CE1-CD1 3.56Å; Y500-I504 HydrophobicContact CE2-CD1 4.1Å; Y500-I504 HydrophobicContact CE2-CG1 4.37Å; Y500-I504 PolarHBondContact O-N 3.26Å
501Q98.2Very high98.3Very high91 Ų9192.4 Ų92.443%0.42544%0.437SS..Hα-helixtrans-63.2-43.4173.3-75.2175.6-4.900112.1V497 R499 I504 Q505V497-Q501 HydrophobicContact CG1-CG 4.39Å; V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 VanDerWaalsContact O-CG 3.31Å; V497-Q501 WeakPolarHBondContact O-CG 3.48Å; V497-Q501 PolarHBondContact O-N 3.25Å; R499-Q501 VanDerWaalsContact C-N 3.32Å; R499-Q501 PolarHBondContact O-N 2.93Å; Q501-I504 PolarHBondContact O-N 3.25Å; Q501-Q505 WeakPolarHBondContact O-CB 3.11Å; Q501-Q505 WeakPolarHBondContact O-CG 3.49Å; Q501-Q505 PolarHBondContact O-N 2.86Å
502R98.4Very high98.3Very high129 Ų12993.5 Ų93.549%0.48744%0.439SS..Hα-helixtrans-64.1-38.4174.7-72.8-179.5-68.9-1102.9112.2E495 L498 R499 Q505 G506E495-R502 IonicContact OE2-NH2 2.66Å; L498-R502 WeakPolarHBondContact O-CG 3.32Å; L498-R502 PolarHBondContact O-N 2.83Å; L498-R502 PolarHBondContact O-NE 3.16Å; R499-R502 WeakPolarHBondContact O-CB 3.35Å; R499-R502 PolarHBondContact O-N 3.48Å; R502-Q505 PolarHBondContact O-N 3.18Å; R502-G506 PolarHBondContact O-N 2.83Å
503E98.3Very high98.3Very high126 Ų12696 Ų9659%0.58944%0.444SS*.Hα-helixtrans-64.2-45.4176.1-72.5160.9-152.900111.9R499 Y500 G507R499-E503 WeakPolarHBondContact O-CG 3.47Å; R499-E503 PolarHBondContact O-N 3.14Å; Y500-E503 PolarHBondContact O-N 3.13Å; E503-G507 PolarHBondContact O-N 2.84Å
504I98.3Very high98.3Very high92 Ų9299.6 Ų99.647%0.47245%0.453SS..Hα-helixtrans-61.9-46.4173.6-73.5177.1000111.3Y500 Q501 G507 Y508Y500-I504 HydrophobicContact CD1-CD1 4.11Å; Y500-I504 HydrophobicContact CE1-CD1 3.56Å; Y500-I504 HydrophobicContact CE2-CD1 4.1Å; Y500-I504 HydrophobicContact CE2-CG1 4.37Å; Y500-I504 PolarHBondContact O-N 3.26Å; Q501-I504 PolarHBondContact O-N 3.25Å; I504-G507 PolarHBondContact O-N 2.89Å; I504-Y508 WeakPolarHBondContact O-CB 3.32Å; I504-Y508 PolarHBondContact O-N 3.48Å
505Q98.2Very high98.3Very high121 Ų12197.8 Ų97.857%0.56545%0.449SS*.Hα-helixtrans-63-44.2-180-73.4168.60.200111.5Q501 R502 Y508 M509Q501-Q505 WeakPolarHBondContact O-CB 3.11Å; Q501-Q505 WeakPolarHBondContact O-CG 3.49Å; Q501-Q505 PolarHBondContact O-N 2.86Å; R502-Q505 PolarHBondContact O-N 3.18Å; Q505-Y508 PolarHBondContact O-N 3.48Å; Q505-M509 VanDerWaalsContact O-CG 3.27Å; Q505-M509 WeakPolarHBondContact O-CG 3.31Å; Q505-M509 PolarHBondContact O-N 3.06Å
506G98.3Very high98.3Very high33 Ų3398.5 Ų98.534%0.3445%0.452SS..Hα-helixtrans-61.1-49.1174.100000112.3R502 Y508 M509 D510R502-G506 PolarHBondContact O-N 2.83Å; G506-Y508 VanDerWaalsContact C-N 3.33Å; G506-Y508 PolarHBondContact O-N 2.89Å; G506-M509 PolarHBondContact O-N 3.33Å; G506-M509 VanDerWaalsContact O-N 3.17Å; G506-D510 PolarHBondContact O-N 3.37Å
507G98.2Very high98.2Very high44 Ų4495.1 Ų95.145%0.45445%0.448SS..Hα-helixtrans-60.7-38.2177.900000113.5E503 I504 M511E503-G507 PolarHBondContact O-N 2.84Å; I504-G507 PolarHBondContact O-N 2.89Å; G507-M511 VanDerWaalsContact O-CB 3.24Å; G507-M511 WeakPolarHBondContact O-CB 3.37Å; G507-M511 PolarHBondContact O-N 3.48Å
508Y98.5Very high98.1Very high130 Ų13096.3 Ų96.351%0.5145%0.452SS..Hα-helixtrans-64.4-46.8172.6177.7-93.7000111.8I504 Q505 G506 D510 M511 Y512I504-Y508 WeakPolarHBondContact O-CB 3.32Å; I504-Y508 PolarHBondContact O-N 3.48Å; Q505-Y508 PolarHBondContact O-N 3.48Å; G506-Y508 VanDerWaalsContact C-N 3.33Å; G506-Y508 PolarHBondContact O-N 2.89Å; Y508-D510 PolarHBondContact O-N 3.22Å; Y508-M511 HydrophobicContact CD2-CE 3.66Å; Y508-M511 HydrophobicContact CE2-CE 3.77Å; Y508-M511 HydrophobicContact CG-CE 4.43Å; Y508-M511 PolarHBondContact O-N 3.27Å; Y508-Y512 VanDerWaalsContact O-CB 3.32Å; Y508-Y512 WeakPolarHBondContact O-CB 3.44Å; Y508-Y512 PolarHBondContact O-N 3.29Å
509M98.3Very high98Very high96 Ų9698.6 Ų98.647%0.47346%0.461SS..Hα-helixtrans-65.3-38.5-180-68.7-64.3172.600112.3Q505 G506 Y512 R513Q505-M509 VanDerWaalsContact O-CG 3.27Å; Q505-M509 WeakPolarHBondContact O-CG 3.31Å; Q505-M509 PolarHBondContact O-N 3.06Å; G506-M509 PolarHBondContact O-N 3.33Å; G506-M509 VanDerWaalsContact O-N 3.17Å; M509-Y512 PolarHBondContact O-N 3.01Å; M509-R513 WeakPolarHBondContact O-CB 3.22Å; M509-R513 WeakPolarHBondContact O-CD 3.46Å; M509-R513 WeakPolarHBondContact O-CG 3.49Å; M509-R513 PolarHBondContact O-N 3.24Å
510D98Very high97.9Very high63 Ų6398.1 Ų98.134%0.33746%0.464SS..Hα-helixtrans-70.2-38.2175.5-80-10.3000112.8G506 Y508 R513 R514G506-D510 PolarHBondContact O-N 3.37Å; Y508-D510 PolarHBondContact O-N 3.22Å; D510-R513 IonicContact OD1-CZ 3.76Å; D510-R513 IonicContact OD1-NH1 3.38Å; D510-R513 PolarHBondContact OD1-NH1 2.95Å; D510-R514 WeakPolarHBondContact O-CB 3.4Å; D510-R514 WeakPolarHBondContact O-CD 3.43Å; D510-R514 WeakPolarHBondContact O-CG 3.47Å; D510-R514 PolarHBondContact O-N 2.91Å
511M98.3Very high97.8Very high77 Ų7796.9 Ų96.938%0.37946%0.463SS..Hα-helixtrans-62-44.3170.9178.2-78.4-58.200110.9G507 Y508 R514 N515G507-M511 VanDerWaalsContact O-CB 3.24Å; G507-M511 WeakPolarHBondContact O-CB 3.37Å; G507-M511 PolarHBondContact O-N 3.48Å; Y508-M511 HydrophobicContact CD2-CE 3.66Å; Y508-M511 HydrophobicContact CE2-CE 3.77Å; Y508-M511 HydrophobicContact CG-CE 4.43Å; Y508-M511 PolarHBondContact O-N 3.27Å; M511-R514 PolarHBondContact O-N 3.26Å; M511-N515 PolarHBondContact O-N 3.5Å; M511-N515 PolarHBondContact SD-ND2 2.92Å
512Y98.3Very high97.6Very high110 Ų11097.1 Ų97.143%0.43147%0.467SS..Hα-helixtrans-63.2-45.7177.9-176.6-105.7000112.3Y508 M509 R514 N515 Q516Y508-Y512 VanDerWaalsContact O-CB 3.32Å; Y508-Y512 WeakPolarHBondContact O-CB 3.44Å; Y508-Y512 PolarHBondContact O-N 3.29Å; M509-Y512 PolarHBondContact O-N 3.01Å; Y512-R514 VanDerWaalsContact C-N 3.34Å; Y512-R514 PolarHBondContact O-N 2.89Å; Y512-N515 PolarHBondContact O-N 2.88Å; Y512-Q516 HydrophobicContact CD1-CG 4.43Å; Y512-Q516 HydrophobicContact CE1-CG 4.07Å; Y512-Q516 VanDerWaalsContact CZ-NE2 3.34Å; Y512-Q516 WeakPolarHBondContact O-CG 3.41Å; Y512-Q516 PolarHBondContact O-N 3.42Å; Y512-Q516 PolarHBondContact OH-NE2 2.83Å; Y512-Q516 VanDerWaalsContact OH-NE2 3.07Å
513R98.3Very high97.4Very high154 Ų15497.4 Ų97.458%0.58147%0.468SS*.Hα-helixtrans-57.5-44.1173.2-72.2162.1-177.7158.7-2.7112.1M509 D510 Q516 A517M509-R513 WeakPolarHBondContact O-CB 3.22Å; M509-R513 WeakPolarHBondContact O-CD 3.46Å; M509-R513 WeakPolarHBondContact O-CG 3.49Å; M509-R513 PolarHBondContact O-N 3.24Å; D510-R513 IonicContact OD1-CZ 3.76Å; D510-R513 IonicContact OD1-NH1 3.38Å; D510-R513 PolarHBondContact OD1-NH1 2.95Å; R513-Q516 PolarHBondContact O-N 3.3Å; R513-A517 PolarHBondContact O-N 3.13Å
514R98.1Very high97Very high164 Ų16494.7 Ų94.762%0.61947%0.467SS*.Hα-helixtrans-65.2-42.8177.8-70.4167.3-161.6179.98.4111.6D510 M511 Y512 A517 L518D510-R514 WeakPolarHBondContact O-CB 3.4Å; D510-R514 WeakPolarHBondContact O-CD 3.43Å; D510-R514 WeakPolarHBondContact O-CG 3.47Å; D510-R514 PolarHBondContact O-N 2.91Å; M511-R514 PolarHBondContact O-N 3.26Å; Y512-R514 VanDerWaalsContact C-N 3.34Å; Y512-R514 PolarHBondContact O-N 2.89Å; R514-A517 PolarHBondContact O-N 3.15Å; R514-L518 WeakPolarHBondContact O-CG 3.44Å; R514-L518 PolarHBondContact O-N 2.89Å
515N97.9Very high96.6Very high73 Ų7397.2 Ų97.239%0.3948%0.481SS..Hα-helixtrans-63.1-43.5174.3-76.7-0.3000111.6M511 Y512 A517 L518 E519M511-N515 PolarHBondContact O-N 3.5Å; M511-N515 PolarHBondContact SD-ND2 2.92Å; Y512-N515 PolarHBondContact O-N 2.88Å; N515-A517 VanDerWaalsContact C-N 3.29Å; N515-A517 PolarHBondContact O-N 3.2Å; N515-L518 PolarHBondContact O-N 3.46Å; N515-E519 WeakPolarHBondContact O-CB 3.34Å; N515-E519 VanDerWaalsContact O-CG 3.31Å; N515-E519 WeakPolarHBondContact O-CG 3.44Å; N515-E519 PolarHBondContact O-N 2.85Å
516Q97.8Very high96.1Very high76 Ų76101.2 Ų101.236%0.35549%0.491SS..Hα-helixtrans-59.7-37.1174.5-77.3-169.3-26.800112.9Y512 R513 Q520Y512-Q516 HydrophobicContact CD1-CG 4.43Å; Y512-Q516 HydrophobicContact CE1-CG 4.07Å; Y512-Q516 VanDerWaalsContact CZ-NE2 3.34Å; Y512-Q516 WeakPolarHBondContact O-CG 3.41Å; Y512-Q516 PolarHBondContact O-N 3.42Å; Y512-Q516 PolarHBondContact OH-NE2 2.83Å; Y512-Q516 VanDerWaalsContact OH-NE2 3.07Å; R513-Q516 PolarHBondContact O-N 3.3Å; Q516-Q520 VanDerWaalsContact O-CG 3.31Å; Q516-Q520 WeakPolarHBondContact O-CG 3.39Å; Q516-Q520 PolarHBondContact O-N 2.93Å; Q516-Q520 VanDerWaalsContact O-N 3.15Å; Q516-Q520 PolarHBondContact O-NE2 3.15Å
517A97.4Very high95.3Very high40 Ų40106.8 Ų106.833%0.33151%0.508SS..Hα-helixtrans-67.5-49.1174.700000111.6R513 R514 N515 E519 Q520 E521R513-A517 PolarHBondContact O-N 3.13Å; R514-A517 PolarHBondContact O-N 3.15Å; N515-A517 VanDerWaalsContact C-N 3.29Å; N515-A517 PolarHBondContact O-N 3.2Å; A517-E519 VanDerWaalsContact C-N 3.27Å; A517-E519 PolarHBondContact O-N 3Å; A517-Q520 WeakPolarHBondContact O-CA 3.4Å; A517-Q520 WeakPolarHBondContact O-CB 3.23Å; A517-Q520 PolarHBondContact O-N 3.27Å; A517-E521 PolarHBondContact O-N 3.48Å
518L97.4Very high93.9Very high88 Ų88109.9 Ų109.946%0.46152%0.52SS..Hα-helixtrans-60.5-35.6175.9-68.3169000112.3R514 N515 Q520 E521 L522R514-L518 WeakPolarHBondContact O-CG 3.44Å; R514-L518 PolarHBondContact O-N 2.89Å; N515-L518 PolarHBondContact O-N 3.46Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-E521 PolarHBondContact O-N 3.21Å; L518-L522 VanDerWaalsContact O-CB 3.25Å; L518-L522 WeakPolarHBondContact O-CB 3.34Å; L518-L522 WeakPolarHBondContact O-CG 3.03Å; L518-L522 PolarHBondContact O-N 2.92Å
519E96.1Very high92.4Very high103 Ų103109.6 Ų109.648%0.48153%0.534SS..Hα-helixtrans-68.4-28.1173-77.5176.4-170.300113.2N515 A517 R523N515-E519 WeakPolarHBondContact O-CB 3.34Å; N515-E519 VanDerWaalsContact O-CG 3.31Å; N515-E519 WeakPolarHBondContact O-CG 3.44Å; N515-E519 PolarHBondContact O-N 2.85Å; A517-E519 VanDerWaalsContact C-N 3.27Å; A517-E519 PolarHBondContact O-N 3Å; E519-R523 WeakPolarHBondContact O-CB 3.37Å; E519-R523 WeakPolarHBondContact O-CG 3.2Å; E519-R523 PolarHBondContact O-N 3.11Å; E519-R523 VanDerWaalsContact O-N 3.13Å; E519-R523 PolarHBondContact O-NE 3.34Å; E519-R523 IonicContact OE2-NH2 3.07Å
520Q96.3Very high90.8Very high109 Ų109111.2 Ų111.251%0.50955%0.549SS..Hα-helixtrans-75.8-44173.3-75165.179.600110.6Q516 A517 L518 R523 A524Q516-Q520 VanDerWaalsContact O-CG 3.31Å; Q516-Q520 WeakPolarHBondContact O-CG 3.39Å; Q516-Q520 PolarHBondContact O-N 2.93Å; Q516-Q520 VanDerWaalsContact O-N 3.15Å; Q516-Q520 PolarHBondContact O-NE2 3.15Å; A517-Q520 WeakPolarHBondContact O-CA 3.4Å; A517-Q520 WeakPolarHBondContact O-CB 3.23Å; A517-Q520 PolarHBondContact O-N 3.27Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; Q520-R523 WeakPolarHBondContact O-CB 3.47Å; Q520-R523 PolarHBondContact O-N 2.64Å; Q520-R523 VanDerWaalsContact O-N 3.11Å; Q520-A524 PolarHBondContact O-N 3.11Å
521E95.8Very high88.7Confident116 Ų116113.3 Ų113.354%0.54257%0.566SS.*Hα-helixtrans-59-46.7172.3-68.6172.6-166.900111.4A517 L518 R523 A524 L525A517-E521 PolarHBondContact O-N 3.48Å; L518-E521 PolarHBondContact O-N 3.21Å; E521-R523 PolarHBondContact O-N 2.8Å; E521-A524 PolarHBondContact O-N 3.45Å; E521-L525 WeakPolarHBondContact O-CB 3.36Å; E521-L525 VanDerWaalsContact O-CG 3.31Å; E521-L525 WeakPolarHBondContact O-CG 3.48Å; E521-L525 PolarHBondContact O-N 3.15Å
522L94.3Very high86.6Confident95 Ų95120.4 Ų120.450%0.49759%0.589SS.*Hα-helixtrans-65.6-23175.1-74.5171000113.6L518 R526L518-L522 VanDerWaalsContact O-CB 3.25Å; L518-L522 WeakPolarHBondContact O-CB 3.34Å; L518-L522 WeakPolarHBondContact O-CG 3.03Å; L518-L522 PolarHBondContact O-N 2.92Å; L522-R526 WeakPolarHBondContact O-CB 3.49Å; L522-R526 VanDerWaalsContact O-CD 3.23Å; L522-R526 WeakPolarHBondContact O-CD 3.4Å; L522-R526 WeakPolarHBondContact O-CG 3.37Å; L522-R526 PolarHBondContact O-N 3.24Å
523R93.6Very high84.4Confident136 Ų136120.2 Ų120.251%0.51360%0.604SS.*Hα-helixtrans-76.7-48.9170.3-87173.2-83.1165.4-13.7110.9E519 Q520 E521 L525 R526 E527E519-R523 WeakPolarHBondContact O-CB 3.37Å; E519-R523 WeakPolarHBondContact O-CG 3.2Å; E519-R523 PolarHBondContact O-N 3.11Å; E519-R523 VanDerWaalsContact O-N 3.13Å; E519-R523 PolarHBondContact O-NE 3.34Å; E519-R523 IonicContact OE2-NH2 3.07Å; Q520-R523 WeakPolarHBondContact O-CB 3.47Å; Q520-R523 PolarHBondContact O-N 2.64Å; Q520-R523 VanDerWaalsContact O-N 3.11Å; E521-R523 PolarHBondContact O-N 2.8Å; R523-L525 VanDerWaalsContact C-N 3.28Å; R523-L525 PolarHBondContact O-N 3.3Å; R523-R526 CarbonylContact O-C 3.59Å; R523-R526 WeakPolarHBondContact O-CA 3.39Å; R523-R526 WeakPolarHBondContact O-CB 3.46Å; R523-R526 PolarHBondContact O-N 3.28Å; R523-E527 PolarHBondContact O-N 2.92Å
524A90.5Very high82.2Confident68 Ų68117 Ų11756%0.56260%0.603SS**Hα-helixtrans-59.3-37.7176.800000112.6Q520 E521 R526 E527Q520-A524 PolarHBondContact O-N 3.11Å; E521-A524 PolarHBondContact O-N 3.45Å; A524-R526 PolarHBondContact O-N 3.45Å; A524-E527 PolarHBondContact O-N 3.43Å
525L89.5Confident79.9Confident146 Ų146119.3 Ų119.376%0.76461%0.612SS**THydrogen-bonded Turntrans-75.3-6.8174-67.3172.5000114.3E521 R523E521-L525 WeakPolarHBondContact O-CB 3.36Å; E521-L525 VanDerWaalsContact O-CG 3.31Å; E521-L525 WeakPolarHBondContact O-CG 3.48Å; E521-L525 PolarHBondContact O-N 3.15Å; R523-L525 VanDerWaalsContact C-N 3.28Å; R523-L525 PolarHBondContact O-N 3.3Å
526R87.6Confident77.8Confident205 Ų205123.2 Ų123.277%0.77463%0.632SS**THydrogen-bonded Turntrans-105.1-16.9173.9-77.6174.6-177.7-175.81.5113.3L522 R523 A524L522-R526 WeakPolarHBondContact O-CB 3.49Å; L522-R526 VanDerWaalsContact O-CD 3.23Å; L522-R526 WeakPolarHBondContact O-CD 3.4Å; L522-R526 WeakPolarHBondContact O-CG 3.37Å; L522-R526 PolarHBondContact O-N 3.24Å; R523-R526 CarbonylContact O-C 3.59Å; R523-R526 WeakPolarHBondContact O-CA 3.39Å; R523-R526 WeakPolarHBondContact O-CB 3.46Å; R523-R526 PolarHBondContact O-N 3.28Å; A524-R526 PolarHBondContact O-N 3.45Å
527E80.6Confident75.7Confident150 Ų150126.5 Ų126.570%0.70165%0.647SS**SBendtrans-67.7133.9167.4-65.7-158.6151.900109.1R523 A524R523-E527 PolarHBondContact O-N 2.92Å; A524-E527 PolarHBondContact O-N 3.43Å
528P70.5Confident73.5Confident109 Ų109129.5 Ų129.571%0.70867%0.666SS**PPolyproline II helixtrans-64.7144.2175.128.5-33.9000109.3T530P528-T530 PolarHBondContact O-N 3.44Å
529P66.9Low71.5Confident124 Ų124130.8 Ų130.881%0.80568%0.682SS**PPolyproline II helixtrans-56.5128.9176.724.6-33.9000109.3
530T64.5Low69.6Low129 Ų129134.9 Ų134.979%0.79170%0.698SS**PPolyproline II helixtrans-55.6135179.4360000109.8P528 W532P528-T530 PolarHBondContact O-N 3.44Å; T530-W532 PolarHBondContact O-N 3.28Å; T530-W532 VanDerWaalsContact O-N 3.08Å
531P53.4Low67.3Low107 Ų107141.1 Ų141.170%0.69573%0.733SS**PPolyproline II helixtrans-59.8121.7-179.224.1-32.8000108.6S533P531-S533 PolarHBondContact O-N 3.14Å
532W54.6Low65.9Low226 Ų226142.4 Ų142.486%0.85674%0.742SS**  trans-61.398.417950.9-81000108.4T530 P534T530-W532 PolarHBondContact O-N 3.28Å; T530-W532 VanDerWaalsContact O-N 3.08Å; W532-P534 HydrophobicContact CZ3-CG 4.39Å; W532-P534 WeakPolarHBondContact O-CD 3.36Å
533S52.3Low64.4Low107 Ų107144.9 Ų144.975%0.74876%0.755SS**  trans-82.6101.1173.2-67.20000108.1P531 R535P531-S533 PolarHBondContact O-N 3.14Å; S533-R535 PolarHBondContact O-N 3.06Å; S533-R535 VanDerWaalsContact O-N 3.09Å
534P51Low62.8Low87 Ų87145.4 Ų145.457%0.56577%0.769SS**  trans-61.6119171.827.5-34.1000107.7W532 L536W532-P534 HydrophobicContact CZ3-CG 4.39Å; W532-P534 WeakPolarHBondContact O-CD 3.36Å; P534-L536 PolarHBondContact O-N 3.27Å
535R50.9Low61.1Low211 Ų211149.9 Ų149.980%0.79678%0.781SS**  trans-68.389.4172.9-178.3-172.2-85.8-159.3-3.7107.9S533 E537S533-R535 PolarHBondContact O-N 3.06Å; S533-R535 VanDerWaalsContact O-N 3.09Å; R535-E537 VanDerWaalsContact C-N 3.29Å; R535-E537 HydrophobicContact CG-CG 4Å; R535-E537 IonicContact NH1-OE1 2.71Å; R535-E537 PolarHBondContact O-N 3.41Å
536L52.5Low59.4Low155 Ų155150.2 Ų150.281%0.81278%0.782SS**  trans-65.192.7166.6-83.2162000108.2P534 S538P534-L536 PolarHBondContact O-N 3.27Å; L536-S538 PolarHBondContact O-N 2.78Å
537E54.4Low57.5Low146 Ų146146.5 Ų146.568%0.68278%0.782SS**  trans-67.790.2166.3-63.5-164.6158.400107.8R535 S539R535-E537 VanDerWaalsContact C-N 3.29Å; R535-E537 HydrophobicContact CG-CG 4Å; R535-E537 IonicContact NH1-OE1 2.71Å; R535-E537 PolarHBondContact O-N 3.41Å; E537-S539 PolarHBondContact O-N 3.1Å
538S50.2Low55.8Low103 Ų103146.3 Ų146.372%0.7279%0.788SS**  trans-71.682.1175.8-173.40000108.8L536 K540L536-S538 PolarHBondContact O-N 2.78Å; S538-K540 PolarHBondContact O-N 3.08Å
539S55.1Low54.7Low114 Ų114149.2 Ų149.280%0.79779%0.794SS**  trans-54.8107.6164.8-590000108.4E537E537-S539 PolarHBondContact O-N 3.1Å
540K57.7Low53.7Low189 Ų189151.3 Ų151.382%0.82279%0.793SS**  trans-78.8143.8167.6-74.2-173.6175-177.60109.6S538S538-K540 PolarHBondContact O-N 3.08Å
541I47.8Very low52.7Low241 Ų241153.3 Ų153.3100%1.23679%0.794SS**  trans-65.90162.5-57.3165.5000108.2

Retrieved 541 of 541 residues in 133.2 ms (Link to these results)