A0A3Q0KJ22_SCHMA Loading...

Btz domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJ22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 458 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.7Very low40.8Very low230 Ų230173.8 Ų173.8100%1.13383%0.83SS**  0108.90-72.3165.580.300108.1
2I38.4Very low41.4Very low141 Ų141166.3 Ų166.372%0.72381%0.809SS**  70.8100.679.2-74.7170000111.7
3T33.2Very low41.8Very low101 Ų101170.1 Ų170.162%0.6281%0.809SS**  trans72.1155.8136.671.70000116.2
4R43.1Very low42.2Very low226 Ų226164.4 Ų164.485%0.85380%0.797SS**  cis-147.6126.331.9-62.3169.7-154.8-1504.9106.5
5K40.7Very low42.6Very low195 Ų195169.3 Ų169.385%0.84880%0.803SS**  38114.3102.3-66.6-166179.7-178.40113.6
6R44.1Very low42.9Very low239 Ų239166.4 Ų166.490%0.90281%0.807SS**  -157.5131.2125.1-102.4165.7-166.2-156.13.6110.1
7S39.8Very low42.9Very low109 Ų109163.5 Ų163.576%0.76281%0.808SS**  trans-92.8139.8-177.7-48.30000109.3
8Y46.7Very low42.8Very low224 Ų224158.2 Ų158.288%0.87880%0.801SS**  trans-140.5126.4149.7-82.5-75.4000111.9
9S36.8Very low43.1Very low110 Ų110160.8 Ų160.877%0.76981%0.808SS**  trans-91.9130.4171.1143.40000108.2
10S44.3Very low42.8Very low114 Ų114165 Ų16580%0.79782%0.815SS**  trans-165.589.5155.332.10000110.7
11R40.1Very low42.8Very low223 Ų223163.2 Ų163.284%0.84281%0.813SS**  trans-58.5153.3147.3179.4175.3-174.7132.5-0.7108.8
12S47.7Very low42.9Very low83 Ų83158 Ų15858%0.5880%0.797SS**  trans103.9139.9167.8-52.50000112.2
13R47.2Very low43.3Very low216 Ų216163.3 Ų163.382%0.81581%0.808SS**  cis-177.2152.45.3-118.6170.5175.1136.2-11.6105.5
14S47.3Very low43.6Very low90 Ų90170.3 Ų170.363%0.62982%0.823SS**  trans60.8127.3135.4-51.40000118.7
15R47.7Very low43.6Very low238 Ų238168.7 Ų168.790%0.89882%0.822SS**  -177.9121.3106.1-91.4152175.1-167.2-2.7107.5
16S47.8Very low43.5Very low124 Ų124166.7 Ų166.787%0.86782%0.82SS**  62.4109.183.9179.30000110.9
17S42Very low43.1Very low117 Ų117166.9 Ų166.982%0.81882%0.821SS**  trans-130.9127.7174.260.40000109.7
18G42.8Very low43Very low67 Ų67166.6 Ų166.669%0.69182%0.819SS**  trans-69.5174.3172.500000113.8
19F47.5Very low42.7Very low209 Ų209166.9 Ų166.992%0.91782%0.818SS**  trans-64.7145.6-156-73.2-99.9000115.9T21F19-T21 PolarHBondContact O-N 3.15Å
20Y38Very low42.7Very low243 Ų243166 Ų16695%0.95381%0.812SS**  trans-41.4114.6-175.6-108.9-108.6000114.7
21T43.1Very low42.4Very low128 Ų128167.6 Ų167.679%0.78581%0.812SS**  trans-134.4147.8162.248.50000109.7F19F19-T21 PolarHBondContact O-N 3.15Å
22P42.2Very low42.1Very low120 Ų120165 Ų16578%0.77981%0.81SS**  trans-88.5136.4-157.930.6-27.7000114.6R24P22-R24 PolarHBondContact O-N 3.45Å
23R46.7Very low41.7Very low254 Ų254173.1 Ų173.196%0.95883%0.827SS**  trans0.793.4151.1-113.1173.8162.8169.9-5.5115.6
24R40.7Very low41Very low247 Ų247166.2 Ų166.293%0.93281%0.812SS**  trans-115.1102.5157.8-82.2-170.3173.7-174.1-0.3111.3P22P22-R24 PolarHBondContact O-N 3.45Å
25K42.2Very low40.4Very low193 Ų193170.1 Ų170.184%0.83982%0.818SS**  trans16110.3154.4-72.4173.9174.4177.20119.4R27K25-R27 PolarHBondContact O-N 2.99Å
26N38.7Very low40Very low152 Ų152168.7 Ų168.781%0.81382%0.818SS**  18.199.6121.9-56.8-19.6000116.4
27R35.7Very low39.3Very low244 Ų244167.9 Ų167.992%0.92181%0.813SS**  trans-11292.8145-95.1-177.9173.5139-2.1108.8K25K25-R27 PolarHBondContact O-N 2.99Å
28S37.9Very low39.1Very low102 Ų102167 Ų16771%0.71381%0.806SS**  trans-60.4125.5161-55.90000110
29R39.8Very low38.5Very low230 Ų230168.6 Ų168.687%0.86881%0.807SS**  trans-143.688146.4-70.5-171.4172135.2-5104.8
30S37.5Very low38.1Very low91 Ų91165.7 Ų165.764%0.63680%0.8SS**  35.9108.182.173.50000113.1
31N38.7Very low38Very low149 Ų149161.6 Ų161.680%0.79779%0.787SS**  trans-171.792133-86.5-12.8000104.4
32E33.4Very low37.7Very low169 Ų169165 Ų16579%0.7979%0.794SS**  43.694.889-69.3-162.9157.400112.1
33R38.5Very low37.6Very low253 Ų253169.6 Ų169.696%0.95580%0.796SS**  trans-126.191.1130.7-157.3168-173.3-169.21.3108.4
34S33.3Very low37Very low70 Ų70164.4 Ų164.449%0.4979%0.787SS.*  trans-58.8171.7162.350.80000111.9
35K34.4Very low36.8Very low173 Ų173163.5 Ų163.575%0.75278%0.784SS**  trans84.798.5165.9-50.1166-172.9-175.70111.3
36F39.1Very low36.3Very low208 Ų208162.7 Ų162.791%0.91278%0.783SS**  -137.2115.163.6-77.1-90.8000113.7
37S33.3Very low36.2Very low107 Ų107167.4 Ų167.475%0.74879%0.789SS**  trans-71.3140.4146.750.80000110.4
38S37.5Very low36.1Very low98 Ų98159.8 Ų159.869%0.68577%0.774SS**  trans168.8102136.354.40000107.7
39S30.7Very low35.9Very low100 Ų100163.8 Ų163.870%0.69978%0.781SS**  57.9102.189.873.90000112.9
40L38.2Very low35.7Very low149 Ų149157.9 Ų157.978%0.7878%0.775SS**  -175.7139.8122.7-125.271.8000112.1
41K36.8Very low35.5Very low156 Ų156162.2 Ų162.268%0.67878%0.782SS**  trans77.972.4155-70177.3175.1178.80117.6R43K41-R43 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact O-N 3.15Å
42E35.7Very low35Very low199 Ų199162.9 Ų162.993%0.9379%0.786SS**  -15.1101.3109-151.6155.6-149.200112.7
43R40.1Very low35.2Very low217 Ų217162.3 Ų162.382%0.81978%0.781SS**  trans-124102.5163.2-100.9-172.4-76.1162.6-5.5107.7K41K41-R43 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact O-N 3.15Å
44N34.9Very low35.1Very low145 Ų145156.2 Ų156.278%0.77577%0.767SS**  trans24.1110.5145.9-82-36.9000116.5
45R35.9Very low35.4Very low228 Ų228164.1 Ų164.186%0.8679%0.788SS**  48.2124.175.9-72.6-169.2170.1173-0.5113.3
46Q33Very low35.4Very low176 Ų176161 Ų16182%0.82279%0.788SS**  trans87.192.9160.9-60.2179.2-17.100117.9
47R36Very low35.6Very low251 Ų251157.4 Ų157.495%0.94779%0.786SS**  -146.183.1126.6-113.6177.9-175.4-160.51109.3
48S33.7Very low35.7Very low85 Ų85163.9 Ų163.959%0.59479%0.794SS**  trans-62.9164149.829.90000110
49H32.2Very low35.3Very low186 Ų186170.3 Ų170.386%0.86180%0.803SS**  trans94.6120.8-170.1-50.8-57.5000111.8
50S36.4Very low35.3Very low105 Ų105170.7 Ų170.773%0.73481%0.806SS**  cis-166.2140.120.9450000111.7
51K33.9Very low35.3Very low182 Ų182171.5 Ų171.579%0.79181%0.81SS**  trans57.995.9138.7-67.8176.6177-1800118.5F53K51-F53 HydrophobicContact CB-CD2 4.29Å; K51-F53 HydrophobicContact CD-CE2 4.25Å; K51-F53 HydrophobicContact CG-CE2 4.38Å
52N27.6Very low35.1Very low164 Ų164168.6 Ų168.688%0.87781%0.809SS**  trans-63.5125.3139.8-61.9-51.2000108.8
53F38.6Very low35.6Very low156 Ų156165.2 Ų165.268%0.68480%0.804SS**  trans-133.7115.2152.2-91.6-77.8000107.5K51K51-F53 HydrophobicContact CB-CD2 4.29Å; K51-F53 HydrophobicContact CD-CE2 4.25Å; K51-F53 HydrophobicContact CG-CE2 4.38Å
54D36.6Very low35.4Very low125 Ų125162 Ų16267%0.66880%0.802SS**  trans45.9119.7142.8-54.2-25.6000120
55Y39Very low35.3Very low236 Ų236163.5 Ų163.593%0.92580%0.804SS**  -155.582.2123.3-86-70.4000108.8P57Y55-P57 WeakPolarHBondContact O-CD 3.49Å
56S33.8Very low35.4Very low109 Ų109163.6 Ų163.676%0.76281%0.805SS**  trans-74.6124.7154.5-800000108.3R58S56-R58 PolarHBondContact O-N 3.12Å
57P44.1Very low35.5Very low132 Ų132165.1 Ų165.186%0.85781%0.808SS**  trans-66.9100.7170.5-19.633000109.9Y55 R59Y55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-R59 PolarHBondContact O-N 3.1Å
58R35.5Very low35.7Very low242 Ų242157.1 Ų157.191%0.91379%0.791SS**  trans-64.9128.8170.1-84.7-176159.9-146.8-2.4109.9S56S56-R58 PolarHBondContact O-N 3.12Å
59R29Very low36.1Very low234 Ų234163 Ų16388%0.88381%0.806SS**  trans-58.8149.4161.7-96.1176.7162.3-157.1-3.4110.6P57P57-R59 PolarHBondContact O-N 3.1Å
60S31.1Very low36.6Very low108 Ų108162.3 Ų162.376%0.75580%0.801SS**  trans61.6118.6168.762.60000117.4
61L36.4Very low36.6Very low166 Ų166162.9 Ų162.987%0.86981%0.805SS**  -166.4150.2102.5-87.2163.6000108.2
62S32.7Very low36.7Very low94 Ų94165.6 Ų165.666%0.65781%0.81SS**  trans-48.8150.6-173.640.20000114.9I64S62-I64 PolarHBondContact O-N 3.47Å
63P46.4Very low37.3Very low128 Ų128165.7 Ų165.783%0.83181%0.81SS**  trans-64108.3167.2-16.330.4000109.6E65P63-E65 PolarHBondContact O-N 2.9Å
64I36.7Very low37.1Very low149 Ų149170 Ų17076%0.76482%0.821SS**  trans-49.4128.7161.2-96139.8000109.3S62 R66S62-I64 PolarHBondContact O-N 3.47Å; I64-R66 PolarHBondContact O-N 2.93Å
65E33.2Very low37.4Very low177 Ų177173.2 Ų173.283%0.82783%0.829SS**  trans-54.296.3179.6-61.8176.9167.400111.2P63 K67P63-E65 PolarHBondContact O-N 2.9Å; E65-K67 PolarHBondContact O-N 3.32Å
66R37.9Very low37.3Very low231 Ų231167.3 Ų167.387%0.87282%0.82SS**  trans-85.3103161-67.9-171.1-165.7151.54107.9I64 S68I64-R66 PolarHBondContact O-N 2.93Å; R66-S68 PolarHBondContact O-N 3.29Å
67K33.5Very low37.4Very low207 Ų207170.3 Ų170.390%0.982%0.822SS**  trans-49.4100.2167.2-64.3175.3178.9178.70109.2E65E65-K67 PolarHBondContact O-N 3.32Å
68S41.2Very low37.1Very low83 Ų83171.1 Ų171.158%0.5882%0.817SS**  trans-123.3112.9175.3159.20000107.4R66 F70R66-S68 PolarHBondContact O-N 3.29Å; S68-F70 PolarHBondContact O-N 2.95Å
69K41.7Very low36.8Very low209 Ų209167.6 Ų167.691%0.90981%0.811SS**  trans-71.944.8-174-65.9-173.7176-178.10114.4
70F42.5Very low37.1Very low171 Ų171161.2 Ų161.275%0.7580%0.803SS**  trans-120.2103171-65.9-72.4000108.8S68 R72S68-F70 PolarHBondContact O-N 2.95Å; F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.97Å
71S36.4Very low37.2Very low118 Ų118160.5 Ų160.583%0.82580%0.797SS**  trans-58.992.9170.541.40000108.9L73S71-L73 PolarHBondContact O-N 2.95Å
72R36.4Very low37.2Very low239 Ų239158.6 Ų158.690%0.90279%0.793SS**  trans-63.7105.2166.5-81.7-174.7167.5115.6-1107.5F70 R74F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.97Å; R72-R74 PolarHBondContact O-N 3.48Å
73L40Very low37.1Very low165 Ų165160.5 Ų160.586%0.86480%0.795SS**  trans-43.3118.5172.3-68.6161.2000109.8S71 K75S71-L73 PolarHBondContact O-N 2.95Å; L73-K75 PolarHBondContact O-N 3.02Å
74R34.9Very low36.7Very low248 Ų248159.7 Ų159.794%0.93679%0.79SS**PPolyproline II helixtrans-56.5122.4174.9-112.3-178.9174.6161.4-2.9108.3R72R72-R74 PolarHBondContact O-N 3.48Å
75K42.3Very low36.7Very low192 Ų192160.2 Ų160.284%0.83579%0.793SS**PPolyproline II helixtrans-65131.5167.5-67179.6178-179.70108L73 E77L73-K75 PolarHBondContact O-N 3.02Å; K75-E77 PolarHBondContact O-N 2.85Å
76P38.3Very low36.8Very low111 Ų111156.7 Ų156.772%0.72178%0.784SS**PPolyproline II helixtrans-66129178.425.7-31.6000109.8I78P76-I78 PolarHBondContact O-N 3.2Å
77E35.1Very low36.5Very low172 Ų172153 Ų15380%0.80478%0.781SS**  trans-74.486.4174.8-171.5172-161.900108.1K75 Q79K75-E77 PolarHBondContact O-N 2.85Å; E77-Q79 PolarHBondContact O-N 3.28Å
78I37.2Very low36.6Very low149 Ų149152.4 Ų152.476%0.76478%0.779SS**  trans-71.599.6173.2-59.3172.3000106.8P76 S80P76-I78 PolarHBondContact O-N 3.2Å; I78-S80 VanDerWaalsContact C-N 3.34Å; I78-S80 PolarHBondContact O-N 2.82Å
79Q29.8Very low36Very low168 Ų168156.4 Ų156.479%0.78579%0.788SS**  trans-65.290.5171-66177.2-0.300108.6E77 S81E77-Q79 PolarHBondContact O-N 3.28Å; Q79-S81 PolarHBondContact O-N 3.27Å; Q79-S81 VanDerWaalsContact O-N 3.09Å
80S34.7Very low35.5Very low101 Ų101152.8 Ų152.871%0.70678%0.784SS**  trans-77.891.4168.561.70000108.2I78 V82I78-S80 VanDerWaalsContact C-N 3.34Å; I78-S80 PolarHBondContact O-N 2.82Å; S80-V82 PolarHBondContact O-N 2.92Å; S80-V82 VanDerWaalsContact O-N 3.09Å
81S34.5Very low35.1Very low92 Ų92153.8 Ų153.864%0.64379%0.791SS**  trans-60.1108.3165.652.90000108.4Q79 N83Q79-S81 PolarHBondContact O-N 3.27Å; Q79-S81 VanDerWaalsContact O-N 3.09Å; S81-N83 PolarHBondContact O-N 3.38Å
82V34.8Very low34.7Very low127 Ų127151.8 Ų151.877%0.7779%0.789SS**  trans-71.296.1169178.20000106.1S80 P84S80-V82 PolarHBondContact O-N 2.92Å; S80-V82 VanDerWaalsContact O-N 3.09Å; V82-P84 VanDerWaalsContact O-CD 3.23Å; V82-P84 WeakPolarHBondContact O-CD 3.49Å
83N31.7Very low34.7Very low133 Ų133147 Ų14771%0.71179%0.786SS**  trans-74.9112.7165.4-71.8-19.8000106.9S81 I85S81-N83 PolarHBondContact O-N 3.38Å; N83-I85 PolarHBondContact O-N 2.95Å
84P37Very low34.2Very low111 Ų111150.5 Ų150.572%0.72179%0.787SS**PPolyproline II helixtrans-67.4123177.728-32.3000109.1V82V82-P84 VanDerWaalsContact O-CD 3.23Å; V82-P84 WeakPolarHBondContact O-CD 3.49Å
85I38Very low34.2Very low160 Ų160144.8 Ų144.882%0.82178%0.78SS**PPolyproline II helixtrans-80.5118.4167.6-62.9168000106N83N83-I85 PolarHBondContact O-N 2.95Å
86T34.2Very low33.5Very low104 Ų104142.9 Ų142.964%0.63879%0.785SS**PPolyproline II helixtrans-63.2127.3-177.440.40000112.3F88T86-F88 PolarHBondContact O-N 3.38Å; T86-F88 VanDerWaalsContact O-N 3.15Å
87D31.9Very low33.3Very low152 Ų152141 Ų14181%0.81378%0.779SS**  trans-63.7102.5171.1-66.8-46.7000110.7Q89D87-Q89 PolarHBondContact O-N 3.02Å
88F36.7Very low33.2Very low195 Ų195144.3 Ų144.386%0.85578%0.784SS**  trans-77.374.3163.9-78.5-85.2000109.3T86T86-F88 PolarHBondContact O-N 3.38Å; T86-F88 VanDerWaalsContact O-N 3.15Å
89Q28.9Very low33.3Very low168 Ų168143 Ų14379%0.78578%0.779SS**  trans-140.759176.3-75.8-86.5-30.200110.4D87D87-Q89 PolarHBondContact O-N 3.02Å
90T30.8Very low33.6Very low132 Ų132140.3 Ų140.381%0.8178%0.778SS**  trans171.7109.2159.740.80000104.1
91E33.9Very low34.3Very low192 Ų192143.1 Ų143.190%0.89778%0.78SS**  -156.8143.473.3-77.7175.6173.300109.1
92G28.3Very low35.4Very low76 Ų76143.3 Ų143.378%0.78478%0.781SS**  trans-73.7139.5-165.200000115.1
93V35.5Very low36.4Very low138 Ų138143.1 Ų143.184%0.83678%0.782SS**  trans-142.4125.5136.4-178.50000106.9
94R30.6Very low38.2Very low239 Ų239139.5 Ų139.590%0.90276%0.763SS**  trans-77122.2177-63.5172.6171.6-144.6-1109
95T33.4Very low39.7Very low128 Ų128137.1 Ų137.179%0.78575%0.748SS**  trans-165.1132.2142.936.90000110.2A97T95-A97 VanDerWaalsContact C-N 3.33Å; T95-A97 PolarHBondContact O-N 3.37Å
96T29.3Very low41.2Very low152 Ų152135.7 Ų135.793%0.93374%0.742SS**  trans-67.886.3166.848.10000109.4
97A33.9Very low42.9Very low72 Ų72135.7 Ų135.760%0.59574%0.742SS**  trans-99.2109.6157.500000106.7T95 D99T95-A97 VanDerWaalsContact C-N 3.33Å; T95-A97 PolarHBondContact O-N 3.37Å; A97-D99 PolarHBondContact O-N 3.23Å
98R31.4Very low44.7Very low242 Ų242132 Ų13291%0.91372%0.72SS**  trans-6578.3174.4-167.8-173.9-167.9-177.33.3107S100R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 2.92Å
99D39.3Very low46.2Very low122 Ų122129.2 Ų129.265%0.65270%0.704SS**  trans-61.9102.5167.3-77.7-18.9000105.7A97 H101A97-D99 PolarHBondContact O-N 3.23Å; D99-H101 PolarHBondContact O-N 3.35Å
100S37.9Very low47.7Very low110 Ų110127 Ų12777%0.76969%0.692SS**  trans-64.180.1173.745.10000107.1R98 S102R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 2.92Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.07Å
101H49.4Very low49.2Very low161 Ų161123.4 Ų123.475%0.74567%0.669SS**  trans-60.5104.6158.6-61.8-48.6000105.3D99D99-H101 PolarHBondContact O-N 3.35Å
102S56.8Low50.6Low96 Ų96120.7 Ų120.767%0.67165%0.651SS**PPolyproline II helixtrans-47139167.839.50000108.3S100 I104S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 3.07Å; S102-I104 PolarHBondContact O-N 3.02Å
103P54.7Low52Low122 Ų122122.2 Ų122.279%0.79264%0.64SS**PPolyproline II helixtrans-55.7116.1-174.721.8-32.6000109.3S105P103-S105 PolarHBondContact O-N 3.24Å
104I70Confident52.9Low58 Ų58118.7 Ų118.730%0.29762%0.619SS.*PPolyproline II helixtrans-54.7125.5179.1-61.4167.2000108.1S102 E108 R109S102-I104 PolarHBondContact O-N 3.02Å; I104-E108 HydrophobicContact CG2-CB 3.66Å; I104-E108 HydrophobicContact CG2-CG 3.8Å; I104-R109 HydrophobicContact CB-CG 4.27Å; I104-R109 HydrophobicContact CG2-CG 3.85Å; I104-R109 PolarHBondContact O-NE 3.3Å; I104-R109 VanDerWaalsContact O-NE 3.09Å; I104-R109 PolarHBondContact O-NH2 3.26Å; I104-R109 VanDerWaalsContact O-NH2 3.08Å
105S68.2Low53.6Low60 Ų60113.5 Ų113.542%0.4261%0.61SS.*PPolyproline II helixtrans-55.8150.8-179.772.20000110.6P103 T107 E108 R109P103-S105 PolarHBondContact O-N 3.24Å; S105-T107 PolarHBondContact O-N 2.82Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 VanDerWaalsContact OG-CB 3.27Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 PolarHBondContact OG-N 3.44Å; S105-E108 VanDerWaalsContact OG-N 3.09Å; S105-R109 PolarHBondContact O-N 3.32Å
106L70.1Confident54.6Low130 Ų130111.1 Ų111.168%0.68160%0.598SS**Hα-helixtrans-56.4-39177.6-75.8170.5000111.4R109 F110L106-R109 PolarHBondContact O-N 2.85Å; L106-F110 WeakPolarHBondContact O-CB 3.48Å; L106-F110 PolarHBondContact O-N 2.93Å
107T70.8Confident55Low105 Ų105105.6 Ų105.664%0.64457%0.571SS**Hα-helixtrans-60.2-46.2175.8-41.50000111.5S105 F110 T111S105-T107 PolarHBondContact O-N 2.82Å; T107-F110 PolarHBondContact O-N 2.92Å; T107-T111 WeakPolarHBondContact O-CG2 3.46Å; T107-T111 PolarHBondContact O-N 2.87Å; T107-T111 PolarHBondContact O-OG1 3.24Å
108E69.5Low55.3Low75 Ų75105.5 Ų105.535%0.3556%0.563SS.*Hα-helixtrans-71-33.5179.2-169.4-173.7169.400112.4I104 S105 F110 T111 R112I104-E108 HydrophobicContact CG2-CB 3.66Å; I104-E108 HydrophobicContact CG2-CG 3.8Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 VanDerWaalsContact OG-CB 3.27Å; S105-E108 WeakPolarHBondContact OG-CB 3.43Å; S105-E108 PolarHBondContact OG-N 3.44Å; S105-E108 VanDerWaalsContact OG-N 3.09Å; E108-F110 VanDerWaalsContact C-N 3.35Å; E108-T111 WeakPolarHBondContact CA-OG1 3.38Å; E108-T111 PolarHBondContact O-OG1 3.47Å; E108-T111 VanDerWaalsContact O-OG1 3.08Å; E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 VanDerWaalsContact O-CB 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 WeakPolarHBondContact O-CG 3.27Å; E108-R112 PolarHBondContact O-N 3.29Å; E108-R112 IonicContact OE1-CZ 3.12Å; E108-R112 VanDerWaalsContact OE1-CZ 3.28Å; E108-R112 IonicContact OE1-NE 3.26Å; E108-R112 PolarHBondContact OE1-NE 2.84Å; E108-R112 VanDerWaalsContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.64Å; E108-R112 PolarHBondContact OE1-NH2 2.77Å
109R68.6Low55.7Low136 Ų13698.3 Ų98.351%0.51356%0.556SS.*Hα-helixtrans-62-43.8169.8-92.2-179.8-78.5176.9-5.1111.5I104 S105 L106 L113I104-R109 HydrophobicContact CB-CG 4.27Å; I104-R109 HydrophobicContact CG2-CG 3.85Å; I104-R109 PolarHBondContact O-NE 3.3Å; I104-R109 VanDerWaalsContact O-NE 3.09Å; I104-R109 PolarHBondContact O-NH2 3.26Å; I104-R109 VanDerWaalsContact O-NH2 3.08Å; S105-R109 PolarHBondContact O-N 3.32Å; L106-R109 PolarHBondContact O-N 2.85Å; R109-L113 WeakPolarHBondContact O-CB 3.44Å; R109-L113 PolarHBondContact O-N 3.03Å
110F59Low55.5Low122 Ų12297.2 Ų97.254%0.53555%0.553SS.*Hα-helixtrans-64.4-48.6177.7-176.2-98.8000111.1L106 T107 E108 R112 L113 T114L106-F110 WeakPolarHBondContact O-CB 3.48Å; L106-F110 PolarHBondContact O-N 2.93Å; T107-F110 PolarHBondContact O-N 2.92Å; E108-F110 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 2.97Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.04Å; F110-L113 VanDerWaalsContact O-N 3.1Å; F110-T114 HydrophobicContact CD1-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 3.77Å; F110-T114 HydrophobicContact CE2-CG2 4.28Å; F110-T114 HydrophobicContact CZ-CG2 3.85Å; F110-T114 WeakPolarHBondContact O-CG2 3.43Å; F110-T114 PolarHBondContact O-N 3.4Å; F110-T114 PolarHBondContact O-OG1 3.36Å
111T62.4Low55.2Low55 Ų55100.7 Ų100.734%0.33755%0.55SS.*Hα-helixtrans-64.5-38177.856.90000112.2T107 E108 L113 T114 N115T107-T111 WeakPolarHBondContact O-CG2 3.46Å; T107-T111 PolarHBondContact O-N 2.87Å; T107-T111 PolarHBondContact O-OG1 3.24Å; E108-T111 WeakPolarHBondContact CA-OG1 3.38Å; E108-T111 PolarHBondContact O-OG1 3.47Å; E108-T111 VanDerWaalsContact O-OG1 3.08Å; T111-L113 VanDerWaalsContact C-N 3.35Å; T111-T114 WeakPolarHBondContact CA-OG1 3.48Å; T111-T114 PolarHBondContact O-N 2.84Å; T111-T114 PolarHBondContact O-OG1 3.04Å; T111-T114 VanDerWaalsContact O-OG1 3.05Å; T111-N115 WeakPolarHBondContact O-CA 3.22Å; T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-ND2 2.74Å; T111-N115 PolarHBondContact O-OD1 2.91Å
112R62.7Low54.5Low136 Ų136100.5 Ų100.551%0.51356%0.555SS.*Hα-helixtrans-63.3-40.5171.6-74.3178.2-174.6-150.85.1111.3E108 F110 S116E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 VanDerWaalsContact O-CB 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 WeakPolarHBondContact O-CG 3.27Å; E108-R112 PolarHBondContact O-N 3.29Å; E108-R112 IonicContact OE1-CZ 3.12Å; E108-R112 VanDerWaalsContact OE1-CZ 3.28Å; E108-R112 IonicContact OE1-NE 3.26Å; E108-R112 PolarHBondContact OE1-NE 2.84Å; E108-R112 VanDerWaalsContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.64Å; E108-R112 PolarHBondContact OE1-NH2 2.77Å; F110-R112 PolarHBondContact O-N 2.97Å; R112-S116 WeakPolarHBondContact O-CA 3.37Å; R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.19Å
113L59.7Low53.5Low107 Ų107103 Ų10356%0.5655%0.554SS**Hα-helixtrans-64.9-41.7177.5-164.683.7000111.7R109 F110 T111 S116 T118R109-L113 WeakPolarHBondContact O-CB 3.44Å; R109-L113 PolarHBondContact O-N 3.03Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.04Å; F110-L113 VanDerWaalsContact O-N 3.1Å; T111-L113 VanDerWaalsContact C-N 3.35Å; L113-S116 PolarHBondContact O-OG 3.17Å; L113-T118 PolarHBondContact O-OG1 3.03Å
114T53.3Low52.7Low64 Ų64106.8 Ų106.839%0.39355%0.552SS.*Hα-helixtrans-73.7-43.9177.960.40000112.3F110 T111 G117F110-T114 HydrophobicContact CD1-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 3.77Å; F110-T114 HydrophobicContact CE2-CG2 4.28Å; F110-T114 HydrophobicContact CZ-CG2 3.85Å; F110-T114 WeakPolarHBondContact O-CG2 3.43Å; F110-T114 PolarHBondContact O-N 3.4Å; F110-T114 PolarHBondContact O-OG1 3.36Å; T111-T114 WeakPolarHBondContact CA-OG1 3.48Å; T111-T114 PolarHBondContact O-N 2.84Å; T111-T114 PolarHBondContact O-OG1 3.04Å; T111-T114 VanDerWaalsContact O-OG1 3.05Å; T114-G117 PolarHBondContact O-N 3.3Å
115N46.1Very low51Low131 Ų131114 Ų11470%0.70158%0.576SS**Hα-helixtrans-78.4-28.4-176-62.8-11.4000112.7T111 G117T111-N115 WeakPolarHBondContact O-CA 3.22Å; T111-N115 WeakPolarHBondContact O-CB 3.4Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-ND2 2.74Å; T111-N115 PolarHBondContact O-OD1 2.91Å; N115-G117 PolarHBondContact O-N 2.96Å
116S54.5Low49.6Very low78 Ų78121.1 Ų121.155%0.54560%0.595SS.*THydrogen-bonded Turntrans-66.44.317360.70000113.4R112 L113 T118R112-S116 WeakPolarHBondContact O-CA 3.37Å; R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.19Å; L113-S116 PolarHBondContact O-OG 3.17Å; S116-T118 PolarHBondContact O-N 2.75Å; S116-T118 VanDerWaalsContact O-N 3.08Å
117G36.5Very low48.2Very low35 Ų35117 Ų11736%0.36158%0.584SS.*THydrogen-bonded Turntrans64.423169.200000112.9T114 N115 A119 V120T114-G117 PolarHBondContact O-N 3.3Å; N115-G117 PolarHBondContact O-N 2.96Å; G117-A119 PolarHBondContact O-N 2.95Å; G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 WeakPolarHBondContact O-CG2 3.49Å; G117-V120 PolarHBondContact O-N 2.88Å
118T40.1Very low46.9Very low71 Ų71122.6 Ų122.644%0.43659%0.593SS.*  trans-67.90.9168.861.50000112.5L113 S116 V120L113-T118 PolarHBondContact O-OG1 3.03Å; S116-T118 PolarHBondContact O-N 2.75Å; S116-T118 VanDerWaalsContact O-N 3.08Å; T118-V120 PolarHBondContact O-N 2.86Å; T118-V120 VanDerWaalsContact O-N 3.16Å
119A40.2Very low45.7Very low91 Ų91129.9 Ų129.975%0.75262%0.624SS**  trans-77.147.6158.700000112.5G117G117-A119 PolarHBondContact O-N 2.95Å
120V34.4Very low44.6Very low98 Ų98126.1 Ų126.159%0.59463%0.628SS**  trans-141.8117.6179.51780000114.1G117 T118G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 WeakPolarHBondContact O-CG2 3.49Å; G117-V120 PolarHBondContact O-N 2.88Å; T118-V120 PolarHBondContact O-N 2.86Å; T118-V120 VanDerWaalsContact O-N 3.16Å
121Y33.1Very low44Very low183 Ų183125.3 Ų125.372%0.71863%0.629SS**  trans79.196.6163.5-71.2-61.9000120.2K123Y121-K123 PolarHBondContact O-N 2.65Å
122N34.6Very low43.2Very low158 Ų158129.5 Ų129.585%0.84565%0.65SS**  trans-43.538.5137.4-135.8-12.7000115.3
123K34.7Very low42.4Very low148 Ų148131.8 Ų131.864%0.64367%0.666SS**  trans-94.1100.7161.2-77.1-175.5-179.5175.50106.2Y121 R125Y121-K123 PolarHBondContact O-N 2.65Å; K123-R125 PolarHBondContact O-N 2.87Å
124R38Very low41.4Very low202 Ų202134.1 Ų134.176%0.76267%0.667SS**  trans-48.776.2162-58.5176.6-173-153.90.7109.8Y126R124-Y126 PolarHBondContact O-N 3.19Å
125R35.3Very low40.9Very low210 Ų210137.8 Ų137.879%0.79268%0.684SS**  trans-79.3110.5152.7-69.4-160.6-178.7-134.24.1103.6K123 G127K123-R125 PolarHBondContact O-N 2.87Å; R125-G127 PolarHBondContact O-N 3.47Å
126Y38.9Very low40.8Very low209 Ų209135.5 Ų135.582%0.8268%0.676SS**  trans-59.874.1164.5-62.3-88.7000107.6R124 R128R124-Y126 PolarHBondContact O-N 3.19Å; Y126-R128 PolarHBondContact O-N 3.32Å
127G39.2Very low40.2Very low44 Ų44137.1 Ų137.145%0.45468%0.675SS.*  trans-61.8128161.800000106R125 F129R125-G127 PolarHBondContact O-N 3.47Å; G127-F129 PolarHBondContact O-N 3.27Å
128R43.9Very low40.5Very low221 Ų221139.6 Ų139.683%0.83468%0.679SS**  trans-57.1140-175.5-67.3177.4-177.5-113.32.6108.6Y126 G130Y126-R128 PolarHBondContact O-N 3.32Å; R128-G130 PolarHBondContact O-N 3.03Å
129F44.8Very low40.8Very low228 Ų228141.4 Ų141.4100%169%0.685SS**THydrogen-bonded Turntrans-48.9110170.6-82.3-90.3000108.7G127G127-F129 PolarHBondContact O-N 3.27Å
130G45.2Very low41.2Very low58 Ų58142.3 Ų142.360%0.59868%0.677SS**THydrogen-bonded Turntrans146.4-19.1-177.600000115.3R128 N132R128-G130 PolarHBondContact O-N 3.03Å; G130-N132 VanDerWaalsContact C-N 3.3Å; G130-N132 PolarHBondContact O-N 2.86Å
131D45.8Very low41.7Very low104 Ų104140.1 Ų140.156%0.55666%0.664SS**  trans-77.181.1175.3-67.4-18.3000110.4H133 R134D131-H133 PolarHBondContact O-N 3.47Å; D131-R134 PolarHBondContact O-N 3.47Å; D131-R134 VanDerWaalsContact O-N 3.08Å
132N47.2Very low42.2Very low143 Ų143139 Ų13977%0.76567%0.67SS**THydrogen-bonded Turntrans-60.7-4.8174.6-67.5-22.2000113.6G130 R134G130-N132 VanDerWaalsContact C-N 3.3Å; G130-N132 PolarHBondContact O-N 2.86Å; N132-R134 VanDerWaalsContact C-N 3.33Å
133H44.1Very low42.5Very low184 Ų184136.2 Ų136.285%0.85266%0.655SS**THydrogen-bonded Turntrans-84.1-5.4174.1-60.6-58.2000113.8D131D131-H133 PolarHBondContact O-N 3.47Å
134R39.6Very low43.3Very low156 Ų156135.5 Ų135.559%0.58966%0.664SS**SBendtrans-104.273.7166.6-94.3-179.2161.7-154.4-7.5109.1D131 N132D131-R134 PolarHBondContact O-N 3.47Å; D131-R134 VanDerWaalsContact O-N 3.08Å; N132-R134 VanDerWaalsContact C-N 3.33Å
135L43Very low44.3Very low141 Ų141135.2 Ų135.274%0.73867%0.668SS**PPolyproline II helixtrans-51.1129.2162.9-70.3167.6000107.8H137L135-H137 PolarHBondContact O-N 3.42Å
136P43Very low45.8Very low84 Ų84128 Ų12855%0.54564%0.644SS.*PPolyproline II helixtrans-57.7117.418022.7-31.6000108.5L138 I158P136-L138 PolarHBondContact O-N 2.97Å; P136-L138 VanDerWaalsContact O-N 3.13Å; P136-I158 HydrophobicContact CB-CG1 4.46Å
137H42.6Very low47.3Very low111 Ų111121.5 Ų121.551%0.51463%0.628SS.*PPolyproline II helixtrans-54.5119-179.3-66.6-85.4000109.7L135 I139L135-H137 PolarHBondContact O-N 3.42Å; H137-I139 PolarHBondContact O-N 3.29Å
138L42.9Very low48.7Very low88 Ų88124.3 Ų124.346%0.46164%0.638SS.*  trans-59.4103.6167.1179.887000108.3P136 L140 I160P136-L138 PolarHBondContact O-N 2.97Å; P136-L138 VanDerWaalsContact O-N 3.13Å; L138-L140 HydrophobicContact CD1-CD2 4.17Å; L138-L140 HydrophobicContact CD1-CG 4.41Å; L138-L140 HydrophobicContact CD2-CD1 3.62Å; L138-L140 HydrophobicContact CD2-CD2 4.03Å; L138-L140 HydrophobicContact CD2-CG 3.5Å; L138-L140 HydrophobicContact CG-CD1 4.43Å; L138-L140 HydrophobicContact CG-CD2 4.07Å; L138-L140 HydrophobicContact CG-CG 3.77Å; L138-L140 PolarHBondContact O-N 2.86Å; L138-I160 HydrophobicContact CD1-CD1 3.66Å; L138-I160 HydrophobicContact CD1-CG2 4.45Å
139I47.2Very low49.9Very low108 Ų108117.3 Ų117.355%0.55463%0.628SS**  trans-85.786.5169.7-59.5178.4000107H137 T141H137-I139 PolarHBondContact O-N 3.29Å; I139-T141 VanDerWaalsContact C-N 3.32Å; I139-T141 HydrophobicContact CG2-CG2 3.31Å; I139-T141 PolarHBondContact O-N 2.83Å; I139-T141 VanDerWaalsContact O-N 3.14Å
140L46.8Very low51Low110 Ų110109 Ų10958%0.57660%0.596SS**  trans-76.290.6160.9-64.2177.2000107.2L138L138-L140 HydrophobicContact CD1-CD2 4.17Å; L138-L140 HydrophobicContact CD1-CG 4.41Å; L138-L140 HydrophobicContact CD2-CD1 3.62Å; L138-L140 HydrophobicContact CD2-CD2 4.03Å; L138-L140 HydrophobicContact CD2-CG 3.5Å; L138-L140 HydrophobicContact CG-CD1 4.43Å; L138-L140 HydrophobicContact CG-CD2 4.07Å; L138-L140 HydrophobicContact CG-CG 3.77Å; L138-L140 PolarHBondContact O-N 2.86Å
141T46Very low51.9Low53 Ų53109.7 Ų109.733%0.32559%0.585SS.*  trans-95.1126165.454.30000108.8I139 N143I139-T141 VanDerWaalsContact C-N 3.32Å; I139-T141 HydrophobicContact CG2-CG2 3.31Å; I139-T141 PolarHBondContact O-N 2.83Å; I139-T141 VanDerWaalsContact O-N 3.14Å; T141-N143 PolarHBondContact O-N 3.24Å
142N42.9Very low52.7Low159 Ų159111.5 Ų111.585%0.8559%0.592SS**  trans-6511.1163.1-68.8-12.9000112.8T144N142-T144 VanDerWaalsContact C-N 3.27Å; N142-T144 PolarHBondContact O-N 3.33Å
143N41.3Very low53.4Low99 Ų99112.9 Ų112.953%0.52959%0.587SS.*  trans-75.483.9174.7-64.3-19.6000108.5T141 K145 L146T141-N143 PolarHBondContact O-N 3.24Å; N143-K145 PolarHBondContact O-N 2.98Å; N143-L146 PolarHBondContact O-N 3.37Å
144T51.2Low54.2Low134 Ų134107.2 Ų107.282%0.82256%0.561SS**THydrogen-bonded Turntrans-58-6167.853.90000113.4N142 L146N142-T144 VanDerWaalsContact C-N 3.27Å; N142-T144 PolarHBondContact O-N 3.33Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.09Å
145K60Low55Low195 Ų195101.5 Ų101.585%0.84855%0.547SS*.THydrogen-bonded Turntrans-78.3-9.3-178.1-59.6-172.9178.8-174.40114.7N143N143-K145 PolarHBondContact O-N 2.98Å
146L66.6Low55.6Low58 Ų58103.8 Ų103.830%0.30455%0.551SS.*SBendtrans-77.7131.6175.9-72.4178.2000110N143 T144 L151N143-L146 PolarHBondContact O-N 3.37Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.09Å; L146-L151 HydrophobicContact CB-CD1 4.5Å; L146-L151 HydrophobicContact CB-CD2 4.13Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 4.19Å
147P69.3Low56Low73 Ų73106.7 Ų106.747%0.47456%0.557SS.*  trans-54.5141.3174.8-2532.7000110.9A149 T150 L151P147-A149 PolarHBondContact O-N 2.71Å; P147-T150 WeakPolarHBondContact O-CB 3.41Å; P147-T150 PolarHBondContact O-N 2.89Å; P147-L151 PolarHBondContact O-N 3.06Å
148P69.1Low56.4Low103 Ų103103 Ų10367%0.66954%0.541SS*.Hα-helixtrans-50.6-35.2-178.7-29.734.8000113.9T150 L151 M152P148-T150 VanDerWaalsContact C-N 3.33Å; P148-T150 PolarHBondContact O-N 3.48Å; P148-L151 PolarHBondContact O-N 2.74Å; P148-M152 WeakPolarHBondContact O-CB 3.4Å; P148-M152 WeakPolarHBondContact O-CG 3.4Å; P148-M152 PolarHBondContact O-N 3.42Å
149A69.8Low56.2Low74 Ų74104.3 Ų104.361%0.61256%0.557SS**Hα-helixtrans-63.2-35.2177.100000113.5P147 R153P147-A149 PolarHBondContact O-N 2.71Å; A149-R153 WeakPolarHBondContact O-CB 3.23Å; A149-R153 PolarHBondContact O-N 2.66Å
150T67.3Low56.1Low54 Ų54103.2 Ų103.233%0.33155%0.552SS.*Hα-helixtrans-73.4-41.9177.4-54.70000110.5P147 P148 R153 Q154P147-T150 WeakPolarHBondContact O-CB 3.41Å; P147-T150 PolarHBondContact O-N 2.89Å; P148-T150 VanDerWaalsContact C-N 3.33Å; P148-T150 PolarHBondContact O-N 3.48Å; T150-R153 PolarHBondContact O-N 3.43Å; T150-Q154 WeakPolarHBondContact O-CG 3.23Å; T150-Q154 PolarHBondContact O-N 2.95Å
151L63.5Low55.7Low72 Ų72104.2 Ų104.238%0.37756%0.562SS.*Hα-helixtrans-60.6-46.2173.9-71.3171.6000111.1L146 P147 P148 R153 Q154 A155L146-L151 HydrophobicContact CB-CD1 4.5Å; L146-L151 HydrophobicContact CB-CD2 4.13Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 4.19Å; P147-L151 PolarHBondContact O-N 3.06Å; P148-L151 PolarHBondContact O-N 2.74Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.04Å; L151-Q154 PolarHBondContact O-N 3.44Å; L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 3.25Å
152M62.8Low55.8Low143 Ų143107.6 Ų107.670%0.70458%0.577SS**Hα-helixtrans-62.3-38.8176.3-75.9-153.476.400112.7P148 K156P148-M152 WeakPolarHBondContact O-CB 3.4Å; P148-M152 WeakPolarHBondContact O-CG 3.4Å; P148-M152 PolarHBondContact O-N 3.42Å; M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.37Å; M152-K156 PolarHBondContact O-N 3.38Å
153R62.6Low55.5Low171 Ų171108.2 Ų108.265%0.64558%0.575SS**Hα-helixtrans-62.6-45.5175.1-173.5-175.4-62.2-90.8-0.7111.1A149 T150 L151 K156 E157A149-R153 WeakPolarHBondContact O-CB 3.23Å; A149-R153 PolarHBondContact O-N 2.66Å; T150-R153 PolarHBondContact O-N 3.43Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.04Å; R153-K156 PolarHBondContact O-N 3.23Å; R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.12Å; R153-E157 VanDerWaalsContact O-N 3.09Å
154Q60.9Low55.5Low65 Ų65113.8 Ų113.830%0.30459%0.588SS.*Hα-helixtrans-65.8-43.1178-71.7178.7-16.600111.9T150 L151 K156 E157 I158T150-Q154 WeakPolarHBondContact O-CG 3.23Å; T150-Q154 PolarHBondContact O-N 2.95Å; L151-Q154 PolarHBondContact O-N 3.44Å; Q154-K156 VanDerWaalsContact C-N 3.32Å; Q154-K156 PolarHBondContact O-N 2.9Å; Q154-E157 PolarHBondContact O-N 3.33Å; Q154-I158 WeakPolarHBondContact O-CB 3.34Å; Q154-I158 WeakPolarHBondContact O-CD1 3.23Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 2.92Å
155A55.1Low55.1Low37 Ų37113.7 Ų113.731%0.30659%0.588SS.*Hα-helixtrans-68.6-27.9176.500000113.2L151 I158L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 3.25Å; A155-I158 CarbonylContact C-O 3.56Å; A155-I158 CarbonylContact O-C 3.29Å; A155-I158 VanDerWaalsContact O-C 3.29Å
156K56.3Low54.3Low188 Ų188112.7 Ų112.782%0.81758%0.584SS**Hα-helixtrans-75.6-32.1173.7-165.7172-177.21760112.1M152 R153 Q154M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.37Å; M152-K156 PolarHBondContact O-N 3.38Å; R153-K156 PolarHBondContact O-N 3.23Å; Q154-K156 VanDerWaalsContact C-N 3.32Å; Q154-K156 PolarHBondContact O-N 2.9Å
157E52.6Low53.1Low146 Ų146115.6 Ų115.668%0.68261%0.606SS**Hα-helixtrans-74.7-32.1173.2-73.8176.6-173.800112.2R153 Q154R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.12Å; R153-E157 VanDerWaalsContact O-N 3.09Å; Q154-E157 PolarHBondContact O-N 3.33Å
158I50.7Low52.2Low32 Ų32119.9 Ų119.916%0.16462%0.624CS.*THydrogen-bonded Turntrans-107.787.9178-48.8160.8000106.9P136 Q154 A155 I160P136-I158 HydrophobicContact CB-CG1 4.46Å; Q154-I158 WeakPolarHBondContact O-CB 3.34Å; Q154-I158 WeakPolarHBondContact O-CD1 3.23Å; Q154-I158 VanDerWaalsContact O-CG1 3.22Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 2.92Å; A155-I158 CarbonylContact C-O 3.56Å; A155-I158 CarbonylContact O-C 3.29Å; A155-I158 VanDerWaalsContact O-C 3.29Å; I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.23Å; I158-I160 PolarHBondContact O-N 2.92Å
159S38.8Very low50.7Low116 Ų116121.4 Ų121.481%0.81163%0.627SS**THydrogen-bonded Turntrans-54.665.6-172.963.70000115.9
160I43.8Very low49.4Very low86 Ų86126.5 Ų126.544%0.44164%0.64SS.*  trans-135.7116.5-175.7-59.2177.9000107.7L138 I158 I162L138-I160 HydrophobicContact CD1-CD1 3.66Å; L138-I160 HydrophobicContact CD1-CG2 4.45Å; I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.23Å; I158-I160 PolarHBondContact O-N 2.92Å; I160-I162 PolarHBondContact O-N 3.14Å
161V40Very low47.9Very low131 Ų131130.7 Ų130.779%0.79466%0.661SS**  trans-69.3117.4171.9177.50000107.4E163V161-E163 PolarHBondContact O-N 2.61Å
162I46.1Very low46.8Very low123 Ų123135.4 Ų135.463%0.63169%0.686SS**  trans-83.1102.4173.4-59.9172.4000106.9I160 R164I160-I162 PolarHBondContact O-N 3.14Å; I162-R164 PolarHBondContact O-N 3.44Å; I162-R164 VanDerWaalsContact O-N 3.16Å
163E36.7Very low45.6Very low173 Ų173132.4 Ų132.481%0.80868%0.678SS**  trans-64.1108.8165.2-66.5179.5-177.600108V161 T165V161-E163 PolarHBondContact O-N 2.61Å; E163-T165 PolarHBondContact O-N 2.9Å; E163-T165 VanDerWaalsContact O-N 3.16Å
164R43.1Very low44.9Very low215 Ų215130.2 Ų130.281%0.81169%0.687SS**  trans-71.7105166-85.5-172.5169.5125.6-5.1107.2I162 F166I162-R164 PolarHBondContact O-N 3.44Å; I162-R164 VanDerWaalsContact O-N 3.16Å; R164-F166 PolarHBondContact O-N 3.27Å; R164-F166 VanDerWaalsContact O-N 3.11Å
165T41.1Very low44Very low133 Ų133135.6 Ų135.682%0.81671%0.711SS**  trans-60109159.749.10000107.9E163E163-T165 PolarHBondContact O-N 2.9Å; E163-T165 VanDerWaalsContact O-N 3.16Å
166F44.9Very low43.2Very low173 Ų173141.8 Ų141.876%0.75973%0.734SS**  trans-60.5146.4166.3-70.2-82.3000108.9R164 L168R164-F166 PolarHBondContact O-N 3.27Å; R164-F166 VanDerWaalsContact O-N 3.11Å; F166-L168 PolarHBondContact O-N 3.05Å
167P40.5Very low42.3Very low120 Ų120142 Ų14278%0.77974%0.735SS**  trans-60.8107.6-179.624.7-32.2000109.4N169P167-N169 VanDerWaalsContact C-N 3.32Å; P167-N169 PolarHBondContact O-N 3.03Å
168L49.8Very low41.6Very low162 Ų162140.6 Ų140.685%0.84874%0.738SS**  trans-60106.2151.4-97.191.4000104.6F166F166-L168 PolarHBondContact O-N 3.05Å
169N37.6Very low41.2Very low136 Ų136144.4 Ų144.473%0.72776%0.763SS**  trans170.364.7153.5-76.8-12.6000107P167P167-N169 VanDerWaalsContact C-N 3.32Å; P167-N169 PolarHBondContact O-N 3.03Å
170M43.1Very low41.1Very low180 Ų180144.7 Ų144.789%0.88776%0.76SS**  trans-93.6100.3143.3-82.7-153.583.700104.6L172M170-L172 PolarHBondContact O-N 3.41Å
171D35.1Very low41.3Very low142 Ų142148.4 Ų148.476%0.75977%0.773SS**  trans-53111.3173.7-69.3-42.8000108.5S173D171-S173 PolarHBondContact O-N 3.16Å
172L40.7Very low41.4Very low172 Ų172146.3 Ų146.390%0.90176%0.757SS**  trans-68.680.8170.1-67.4166.1000107.2M170M170-L172 PolarHBondContact O-N 3.41Å
173S37.1Very low41.5Very low79 Ų79148.4 Ų148.455%0.55276%0.762SS**  trans-59.7126.8166.783.90000107.4D171 H175D171-S173 PolarHBondContact O-N 3.16Å; S173-H175 PolarHBondContact O-N 2.96Å
174P48.6Very low42.1Very low126 Ų126149.2 Ų149.282%0.81876%0.758SS**THydrogen-bonded Turntrans-77.212.2-163.430.5-36000114.1
175H43.2Very low42.4Very low177 Ų177146.6 Ų146.682%0.81975%0.754SS**THydrogen-bonded Turntrans-114.71.5-169.5-100.3-58.2000117S173S173-H175 PolarHBondContact O-N 2.96Å
176E37.3Very low42.8Very low168 Ų168143.4 Ų143.479%0.78574%0.738SS**SBendtrans-122.5131.9169.7-69.6-170.2159.900110.3
177K36.6Very low43.1Very low192 Ų192142.3 Ų142.384%0.83573%0.734SS**  trans-35.7134.2-171.6-65.2162.2-178.61720111V179K177-V179 PolarHBondContact O-N 3Å
178P37.8Very low44Very low117 Ų117143.6 Ų143.676%0.7673%0.733SS**  trans-53.4112.6178.123.9-33000107.4T180P178-T180 PolarHBondContact O-N 3.09Å
179V43.1Very low44.5Very low112 Ų112142.9 Ų142.968%0.67973%0.729SS**  trans-63.594.1167.8176.70000103.7K177 F181K177-V179 PolarHBondContact O-N 3Å; V179-F181 HydrophobicContact CB-CE2 4.46Å; V179-F181 HydrophobicContact CG1-CD2 4.08Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 PolarHBondContact O-N 3.08Å
180T36Very low45.7Very low122 Ų122142 Ų14275%0.74872%0.723SS**  trans-59.595.3165.238.80000104.8P178 D182P178-T180 PolarHBondContact O-N 3.09Å; T180-D182 PolarHBondContact O-N 3.09Å
181F48.6Very low46.1Very low163 Ų163139.3 Ų139.372%0.71572%0.719SS**  trans-60.199.8165.1-87.6-87.4000105.8V179 F183V179-F181 HydrophobicContact CB-CE2 4.46Å; V179-F181 HydrophobicContact CG1-CD2 4.08Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 PolarHBondContact O-N 3.08Å; F181-F183 VanDerWaalsContact C-N 3.27Å; F181-F183 VanDerWaalsContact O-CD2 3.28Å; F181-F183 WeakPolarHBondContact O-CD2 3.11Å; F181-F183 PolarHBondContact O-N 2.96Å
182D41.6Very low46.9Very low87 Ų87137.7 Ų137.747%0.46570%0.702SS.*  trans-70.192.1174.4-16413.1000106.7T180 R184 H185T180-D182 PolarHBondContact O-N 3.09Å; D182-R184 PolarHBondContact O-N 2.91Å; D182-R184 WeakPolarHBondContact OD1-CD 3.46Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-NE 2.68Å; D182-R184 WeakPolarHBondContact OD2-CD 3.47Å; D182-H185 PolarHBondContact O-N 3.22Å
183F48.2Very low47.7Very low168 Ų168138.5 Ų138.574%0.73769%0.693SS**THydrogen-bonded Turntrans-57-0.2176.2-72.3-80.4000113.2F181 H185F181-F183 VanDerWaalsContact C-N 3.27Å; F181-F183 VanDerWaalsContact O-CD2 3.28Å; F181-F183 WeakPolarHBondContact O-CD2 3.11Å; F181-F183 PolarHBondContact O-N 2.96Å; F183-H185 PolarHBondContact O-N 3.41Å
184R50Low48.9Very low190 Ų190141.1 Ų141.172%0.71771%0.708SS**THydrogen-bonded Turntrans-58.8-31.4168.7-68.1-177.9-171.8-157.41.2113.1D182 H187D182-R184 PolarHBondContact O-N 2.91Å; D182-R184 WeakPolarHBondContact OD1-CD 3.46Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-NE 2.68Å; D182-R184 WeakPolarHBondContact OD2-CD 3.47Å; R184-H187 PolarHBondContact O-CE1 3.27Å; R184-H187 VanDerWaalsContact O-CE1 3.32Å; R184-H187 PolarHBondContact O-ND1 3.05Å
185H48.7Very low49.6Very low159 Ų159142.7 Ų142.774%0.73671%0.71SS**SBendtrans-105.2-10.4-174-60.897.2000115.2D182 F183 H187D182-H185 PolarHBondContact O-N 3.22Å; F183-H185 PolarHBondContact O-N 3.41Å; H185-H187 PolarHBondContact O-N 2.86Å
186S50.2Low50.1Low66 Ų66138.3 Ų138.346%0.46269%0.69SS.*  trans-82.164.8173.3630000110.2I188S186-I188 VanDerWaalsContact C-N 3.3Å; S186-I188 PolarHBondContact O-N 3.07Å
187H50.9Low50.8Low150 Ų150132.8 Ų132.869%0.69468%0.677SS**  trans-65.999.2163.7-73.832.3000106.5R184 H185 I189R184-H187 PolarHBondContact O-CE1 3.27Å; R184-H187 VanDerWaalsContact O-CE1 3.32Å; R184-H187 PolarHBondContact O-ND1 3.05Å; H185-H187 PolarHBondContact O-N 2.86Å; H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 PolarHBondContact O-N 3.24Å
188I60.9Low51.8Low147 Ų147129.6 Ų129.675%0.75468%0.678SS**  trans-62.297.6170.5-61.1172.3000106.2S186 I190S186-I188 VanDerWaalsContact C-N 3.3Å; S186-I188 PolarHBondContact O-N 3.07Å; I188-I190 VanDerWaalsContact C-N 3.29Å; I188-I190 HydrophobicContact CG2-CG1 4.2Å; I188-I190 PolarHBondContact O-N 2.92Å
189I59.9Low52.8Low147 Ų147130.8 Ų130.875%0.75467%0.671SS**  trans-75.390.1175.5-56.3176.6000106.6H187 P191H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 PolarHBondContact O-N 3.24Å; I189-P191 VanDerWaalsContact O-CD 3.23Å; I189-P191 WeakPolarHBondContact O-CD 3.34Å
190I61.7Low53.5Low119 Ų119127.4 Ų127.461%0.6165%0.651SS**  trans-62.7117.8166.4-59.1174.2000106.4I188 R192I188-I190 VanDerWaalsContact C-N 3.29Å; I188-I190 HydrophobicContact CG2-CG1 4.2Å; I188-I190 PolarHBondContact O-N 2.92Å; I190-R192 PolarHBondContact O-N 3.39Å
191P51.6Low54.7Low122 Ų122125.4 Ų125.479%0.79264%0.639SS**  trans-61.6106.8178.2-19.131.4000109.4I189I189-P191 VanDerWaalsContact O-CD 3.23Å; I189-P191 WeakPolarHBondContact O-CD 3.34Å
192R51.7Low55Low108 Ų108124.3 Ų124.341%0.40863%0.634SS.*  trans-85.2150.7177.9-72.3-173.9178.1151.23.8110.5I190 E196 C198I190-R192 PolarHBondContact O-N 3.39Å; R192-E196 HydrophobicContact CB-CB 4.35Å; R192-C198 VanDerWaalsContact NH1-C 3.33Å; R192-C198 PolarHBondContact NH1-O 3.13Å
193R58.5Low55.8Low190 Ų190124.7 Ų124.772%0.71764%0.636SS**  trans-65.6147.2171.9-69.5178.9176.1147.3-1.1109.3N195 E196R193-N195 PolarHBondContact O-N 2.9Å; R193-E196 HydrophobicContact CB-CG 4.21Å; R193-E196 PolarHBondContact N-OE2 3.41Å; R193-E196 PolarHBondContact O-N 3.34Å
194P62.6Low56.5Low134 Ų134123.4 Ų123.487%0.8763%0.626SS**THydrogen-bonded Turntrans-52.8-25.9-178.4-26.633.7000114.7
195N61.7Low57Low159 Ų159120.5 Ų120.585%0.8563%0.632SS**THydrogen-bonded Turntrans-97.9-0.2-177.2-58.7-10.6000113.6R193 G197R193-N195 PolarHBondContact O-N 2.9Å; N195-G197 PolarHBondContact O-N 3.23Å
196E55.4Low57.9Low85 Ų85116.2 Ų116.240%0.39763%0.631SS.*SBendtrans-85.3103.1171.4-75.8168.5-173.400107.5R192 R193R192-E196 HydrophobicContact CB-CB 4.35Å; R193-E196 HydrophobicContact CB-CG 4.21Å; R193-E196 PolarHBondContact N-OE2 3.41Å; R193-E196 PolarHBondContact O-N 3.34Å
197G52Low58.6Low51 Ų51117.1 Ų117.153%0.52663%0.63SS.*  trans-46.6148.4177.300000112.1N195 K199N195-G197 PolarHBondContact O-N 3.23Å; G197-K199 PolarHBondContact O-N 3.04Å
198C57.6Low59.3Low125 Ų125117.5 Ų117.585%0.84563%0.63SS**SBendtrans-58-3.4-169.1-68.50000116.1R192R192-C198 VanDerWaalsContact NH1-C 3.33Å; R192-C198 PolarHBondContact NH1-O 3.13Å
199K57.5Low59.8Low143 Ų143116.3 Ų116.362%0.62262%0.62SS**SBendtrans-98.5128.4177.7-61.7-174.3179.5-173.50109.5G197 D203G197-K199 PolarHBondContact O-N 3.04Å; K199-D203 HydrophobicContact CB-CB 4.28Å
200P58.5Low60.5Low40 Ų40114.3 Ų114.326%0.2660%0.603SS.*  trans-51.114717218.3-24.8000109.4F202 D203P200-F202 PolarHBondContact O-N 3.08Å; P200-D203 WeakPolarHBondContact CD-OD2 3Å; P200-D203 HydrophobicContact CG-CB 3.86Å; P200-D203 VanDerWaalsContact CG-CG 3.47Å; P200-D203 WeakPolarHBondContact CG-OD2 3.2Å; P200-D203 PolarHBondContact O-N 3.05Å
201V60.4Low61.2Low80 Ų80115.1 Ų115.149%0.48561%0.609SS.*G310 helixtrans-52.7-29.5-176.5178.10000111.9R204V201-R204 WeakPolarHBondContact O-CB 3.46Å; V201-R204 VanDerWaalsContact O-CG 3.32Å; V201-R204 WeakPolarHBondContact O-CG 3.26Å; V201-R204 PolarHBondContact O-N 2.92Å
202F55.3Low62.8Low140 Ų140112.8 Ų112.861%0.61459%0.593SS**G310 helixtrans-73.9-24.6176.7-55.5-70000114.2P200 R204 L207 F209P200-F202 PolarHBondContact O-N 3.08Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 2.66Å; F202-L207 HydrophobicContact CD1-CD2 4.06Å; F202-F209 HydrophobicContact CB-CZ 4.28Å; F202-F209 WeakPolarHBondContact O-CE2 3.05Å; F202-F209 WeakPolarHBondContact O-CZ 3.43Å
203D58.1Low64.3Low96 Ų96115.7 Ų115.751%0.51361%0.611SS.*G310 helixtrans-89.710.4175.4-70.4-4.6000112.7K199 P200K199-D203 HydrophobicContact CB-CB 4.28Å; P200-D203 WeakPolarHBondContact CD-OD2 3Å; P200-D203 HydrophobicContact CG-CB 3.86Å; P200-D203 VanDerWaalsContact CG-CG 3.47Å; P200-D203 WeakPolarHBondContact CG-OD2 3.2Å; P200-D203 PolarHBondContact O-N 3.05Å
204R62.7Low65.6Low140 Ų140110 Ų11053%0.52860%0.604SS.*  trans-66.3128173.4-71.5179.4179.4-159.41.4107.9V201 F202 G206 L207V201-R204 WeakPolarHBondContact O-CB 3.46Å; V201-R204 VanDerWaalsContact O-CG 3.32Å; V201-R204 WeakPolarHBondContact O-CG 3.26Å; V201-R204 PolarHBondContact O-N 2.92Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 2.66Å; R204-G206 PolarHBondContact O-N 3.34Å; R204-L207 PolarHBondContact O-N 2.72Å
205P61.8Low66.7Low129 Ų129105.8 Ų105.884%0.83857%0.574SS**THydrogen-bonded Turntrans-60.7-11.1-178.624.2-34.3000114
206G67.2Low67.8Low69 Ų69104.1 Ų104.171%0.71156%0.562SS**THydrogen-bonded Turntrans-87.6-11.8174.300000115.4R204 K208R204-G206 PolarHBondContact O-N 3.34Å; G206-K208 PolarHBondContact O-N 3.11Å
207L63.8Low69.3Low86 Ų86103 Ų10345%0.4557%0.567SS.*SBendtrans-90.297.8177.1-135.481000108.3F202 R204 F209F202-L207 HydrophobicContact CD1-CD2 4.06Å; R204-L207 PolarHBondContact O-N 2.72Å; L207-F209 PolarHBondContact O-N 3.32Å
208K67.2Low71Confident158 Ų158104.5 Ų104.569%0.68756%0.562SS**  trans-70.9122.7176.3-66.3-166.7174.8-165.50109.3G206 Y210G206-K208 PolarHBondContact O-N 3.11Å; K208-Y210 HydrophobicContact CB-CE1 4.2Å; K208-Y210 PolarHBondContact O-N 3.04Å
209F71.1Confident72.3Confident122 Ų122101.2 Ų101.254%0.53554%0.536SS..  trans-78.3115.9166-65.6-82.3000108.1F202 L207 N211F202-F209 HydrophobicContact CB-CZ 4.28Å; F202-F209 WeakPolarHBondContact O-CE2 3.05Å; F202-F209 WeakPolarHBondContact O-CZ 3.43Å; L207-F209 PolarHBondContact O-N 3.32Å; F209-N211 PolarHBondContact O-N 2.8Å
210Y73.5Confident73.7Confident104 Ų104101.7 Ų101.741%0.40854%0.535SS..  trans-87.987.9177.3-54.9-72.2000108K208 D215 I219K208-Y210 HydrophobicContact CB-CE1 4.2Å; K208-Y210 PolarHBondContact O-N 3.04Å; Y210-D215 HydrophobicContact CD1-CB 3.79Å; Y210-D215 HydrophobicContact CG-CB 4.28Å; Y210-I219 HydrophobicContact CD1-CD1 3.98Å; Y210-I219 HydrophobicContact CD1-CG1 4.23Å; Y210-I219 HydrophobicContact CD2-CD1 3.72Å; Y210-I219 HydrophobicContact CD2-CG1 4.42Å; Y210-I219 HydrophobicContact CE1-CD1 4.41Å; Y210-I219 HydrophobicContact CE1-CG1 4.25Å; Y210-I219 HydrophobicContact CE2-CD1 4.21Å; Y210-I219 HydrophobicContact CE2-CG1 4.47Å; Y210-I219 HydrophobicContact CG-CD1 3.57Å; Y210-I219 HydrophobicContact CG-CG1 4.28Å
211N78.2Confident75.3Confident137 Ų137106.2 Ų106.273%0.73355%0.55SS**  trans-109.4-3.9-175.1-65.3-11.6000112.7F209F209-N211 PolarHBondContact O-N 2.8Å
212T84.4Confident76.6Confident73 Ų73109.4 Ų109.445%0.44855%0.554SS.*SBendtrans-112.4148.6-176.567.10000111.2A214 D215 E216T212-A214 PolarHBondContact O-N 3.24Å; T212-A214 VanDerWaalsContact O-N 3.16Å; T212-D215 VanDerWaalsContact O-CB 3.3Å; T212-D215 WeakPolarHBondContact O-CB 2.92Å; T212-D215 PolarHBondContact O-N 2.84Å; T212-D215 PolarHBondContact OG1-N 3.11Å; T212-D215 PolarHBondContact OG1-OD2 3.16Å; T212-E216 PolarHBondContact O-N 3.15Å
213E83.9Confident78.1Confident168 Ų168107 Ų10779%0.78555%0.547SS*.Hα-helixtrans-57.7-30.3176.4-65.6177.9178.700112.2D215 E216 A217E213-D215 VanDerWaalsContact C-N 3.32Å; E213-D215 PolarHBondContact O-N 2.84Å; E213-E216 PolarHBondContact O-N 3.16Å; E213-A217 PolarHBondContact O-N 3.32Å; E213-A217 VanDerWaalsContact O-N 3.1Å
214A85.2Confident79.6Confident71 Ų71105.6 Ų105.659%0.58754%0.538SS*.Hα-helixtrans-65-34.9174.600000112.6T212 L218T212-A214 PolarHBondContact O-N 3.24Å; T212-A214 VanDerWaalsContact O-N 3.16Å; A214-L218 PolarHBondContact O-N 3.29Å
215D85.9Confident80.7Confident45 Ų45102.8 Ų102.824%0.24153%0.534CS..Hα-helixtrans-70-39.9175.3-71.5-43.1000111.6Y210 T212 E213 A217 L218 I219Y210-D215 HydrophobicContact CD1-CB 3.79Å; Y210-D215 HydrophobicContact CG-CB 4.28Å; T212-D215 VanDerWaalsContact O-CB 3.3Å; T212-D215 WeakPolarHBondContact O-CB 2.92Å; T212-D215 PolarHBondContact O-N 2.84Å; T212-D215 PolarHBondContact OG1-N 3.11Å; T212-D215 PolarHBondContact OG1-OD2 3.16Å; E213-D215 VanDerWaalsContact C-N 3.32Å; E213-D215 PolarHBondContact O-N 2.84Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 2.93Å; D215-L218 WeakPolarHBondContact O-CB 3.39Å; D215-L218 PolarHBondContact O-N 3.05Å; D215-L218 VanDerWaalsContact O-N 3.11Å; D215-I219 WeakPolarHBondContact O-CG1 3.21Å; D215-I219 PolarHBondContact O-N 2.88Å
216E83.8Confident81.7Confident125 Ų125100.7 Ų100.758%0.58452%0.518SS*.Hα-helixtrans-60.1-43.3175.5-63.6-172.8165.500111.3T212 E213 L218 I219 Y220T212-E216 PolarHBondContact O-N 3.15Å; E213-E216 PolarHBondContact O-N 3.16Å; E216-L218 VanDerWaalsContact C-N 3.28Å; E216-L218 PolarHBondContact O-N 3.48Å; E216-I219 PolarHBondContact O-N 3.43Å; E216-Y220 WeakPolarHBondContact O-CB 3.28Å; E216-Y220 PolarHBondContact O-N 2.76Å
217A88Confident82.5Confident61 Ų61101.4 Ų101.450%0.50451%0.505SS..Hα-helixtrans-61.4-36.9174.200000112.3E213 D215 Y220 K221E213-A217 PolarHBondContact O-N 3.32Å; E213-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 2.93Å; A217-Y220 PolarHBondContact O-N 3.15Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.95Å
218L87.7Confident83.3Confident82 Ų82100.7 Ų100.743%0.42951%0.507SS..Hα-helixtrans-70.8-38.6177.2-158.3153.2000111.8A214 D215 E216 R222A214-L218 PolarHBondContact O-N 3.29Å; D215-L218 WeakPolarHBondContact O-CB 3.39Å; D215-L218 PolarHBondContact O-N 3.05Å; D215-L218 VanDerWaalsContact O-N 3.11Å; E216-L218 VanDerWaalsContact C-N 3.28Å; E216-L218 PolarHBondContact O-N 3.48Å; L218-R222 HydrophobicContact CD2-CG 4.23Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.76Å
219I85Confident83.7Confident57 Ų5796.6 Ų96.629%0.29250%0.498SS..Hα-helixtrans-61.8-48.8171.8-67162.8000109.9Y210 D215 E216 K221 R222 L223Y210-I219 HydrophobicContact CD1-CD1 3.98Å; Y210-I219 HydrophobicContact CD1-CG1 4.23Å; Y210-I219 HydrophobicContact CD2-CD1 3.72Å; Y210-I219 HydrophobicContact CD2-CG1 4.42Å; Y210-I219 HydrophobicContact CE1-CD1 4.41Å; Y210-I219 HydrophobicContact CE1-CG1 4.25Å; Y210-I219 HydrophobicContact CE2-CD1 4.21Å; Y210-I219 HydrophobicContact CE2-CG1 4.47Å; Y210-I219 HydrophobicContact CG-CD1 3.57Å; Y210-I219 HydrophobicContact CG-CG1 4.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.21Å; D215-I219 PolarHBondContact O-N 2.88Å; E216-I219 PolarHBondContact O-N 3.43Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.45Å; I219-R222 PolarHBondContact O-N 3.31Å; I219-L223 HydrophobicContact CG2-CD1 3.93Å; I219-L223 HydrophobicContact CG2-CG 4.34Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3.22Å
220Y87Confident83.5Confident152 Ų15294.2 Ų94.260%0.59650%0.497SS*.Hα-helixtrans-59.3-45.8179.5-171.1-94.7000111E216 A217 R222 L223 M224E216-Y220 WeakPolarHBondContact O-CB 3.28Å; E216-Y220 PolarHBondContact O-N 2.76Å; A217-Y220 PolarHBondContact O-N 3.15Å; Y220-R222 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.35Å; Y220-M224 HydrophobicContact CD1-CG 3.97Å; Y220-M224 HydrophobicContact CE1-CE 4.41Å; Y220-M224 HydrophobicContact CE1-CG 3.63Å; Y220-M224 HydrophobicContact CE1-SD 4.28Å; Y220-M224 HydrophobicContact CE2-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CG 3.35Å; Y220-M224 PolarHBondContact O-N 3.38Å
221K90.3Very high83Confident136 Ų13693.7 Ų93.759%0.59150%0.501SS*.Hα-helixtrans-57.8-48.3173.9-175.5179.2177.1179.40112A217 I219 L223 M224 D225A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.95Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.45Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.32Å; K221-M224 PolarHBondContact O-N 2.83Å; K221-D225 WeakPolarHBondContact O-CB 3.15Å; K221-D225 VanDerWaalsContact O-CG 3.22Å; K221-D225 PolarHBondContact O-N 3.05Å
222R88.1Confident81.9Confident146 Ų14691 Ų9155%0.55149%0.493SS*.Hα-helixtrans-60.5-41.2176.9-78.7-176.5-175.2-172.13.4112.3L218 I219 Y220 D225 T226L218-R222 HydrophobicContact CD2-CG 4.23Å; L218-R222 WeakPolarHBondContact O-CG 3.34Å; L218-R222 PolarHBondContact O-N 2.76Å; I219-R222 PolarHBondContact O-N 3.31Å; Y220-R222 PolarHBondContact O-N 3.22Å; R222-D225 PolarHBondContact O-N 3.37Å; R222-T226 VanDerWaalsContact O-CG2 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.27Å; R222-T226 PolarHBondContact O-N 2.8Å; R222-T226 PolarHBondContact O-OG1 3.3Å
223L87.5Confident80.4Confident90 Ų9098.9 Ų98.947%0.47152%0.515SS..Hα-helixtrans-61.9-47.2175.8-73.7171.7000110.5I219 Y220 K221 D225 T226 I227I219-L223 HydrophobicContact CG2-CD1 3.93Å; I219-L223 HydrophobicContact CG2-CG 4.34Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.35Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.32Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.41Å; L223-T226 WeakPolarHBondContact CA-OG1 3.45Å; L223-T226 PolarHBondContact O-N 2.93Å; L223-T226 PolarHBondContact O-OG1 2.8Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.19Å; L223-I227 PolarHBondContact O-N 2.91Å
224M89.2Confident78.8Confident67 Ų67100.3 Ų100.333%0.3351%0.513SS..Hα-helixtrans-62.1-40.1176.3-67.7-54.5111.800112.3Y220 K221 I227 S228Y220-M224 HydrophobicContact CD1-CG 3.97Å; Y220-M224 HydrophobicContact CE1-CE 4.41Å; Y220-M224 HydrophobicContact CE1-CG 3.63Å; Y220-M224 HydrophobicContact CE1-SD 4.28Å; Y220-M224 HydrophobicContact CE2-CE 4.02Å; Y220-M224 WeakPolarHBondContact O-CG 3.35Å; Y220-M224 PolarHBondContact O-N 3.38Å; K221-M224 PolarHBondContact O-N 2.83Å; M224-I227 HydrophobicContact CE-CD1 3.81Å; M224-I227 PolarHBondContact O-N 2.96Å; M224-S228 VanDerWaalsContact O-CB 3.23Å; M224-S228 WeakPolarHBondContact O-CB 3.41Å; M224-S228 PolarHBondContact O-N 3.49Å; M224-S228 PolarHBondContact O-OG 2.9Å
225D85.8Confident77Confident81 Ų81100.9 Ų100.943%0.43351%0.513SS..Hα-helixtrans-65-39.8176.3-70.8-20.8000111.2K221 R222 L223 S228 S229K221-D225 WeakPolarHBondContact O-CB 3.15Å; K221-D225 VanDerWaalsContact O-CG 3.22Å; K221-D225 PolarHBondContact O-N 3.05Å; R222-D225 PolarHBondContact O-N 3.37Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.41Å; D225-S228 PolarHBondContact O-N 2.92Å; D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 3.33Å; D225-S229 PolarHBondContact O-OG 3.27Å
226T82.8Confident74.8Confident84 Ų84105.4 Ų105.452%0.51554%0.537SS..Hα-helixtrans-68.4-40.7176.657.80000112.4R222 L223 S229 S230R222-T226 VanDerWaalsContact O-CG2 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.27Å; R222-T226 PolarHBondContact O-N 2.8Å; R222-T226 PolarHBondContact O-OG1 3.3Å; L223-T226 WeakPolarHBondContact CA-OG1 3.45Å; L223-T226 PolarHBondContact O-N 2.93Å; L223-T226 PolarHBondContact O-OG1 2.8Å; T226-S229 PolarHBondContact O-N 3.26Å; T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.49Å; T226-S230 PolarHBondContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.43Å
227I83.2Confident72.6Confident84 Ų84105.6 Ų105.643%0.43154%0.542SS..Hα-helixtrans-63.7-47.1174.8-66.2165000109.2L223 M224 S229 S230 N231L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.19Å; L223-I227 PolarHBondContact O-N 2.91Å; M224-I227 HydrophobicContact CE-CD1 3.81Å; M224-I227 PolarHBondContact O-N 2.96Å; I227-S229 PolarHBondContact O-N 3.08Å; I227-S230 PolarHBondContact O-N 2.9Å; I227-S230 PolarHBondContact O-OG 2.85Å; I227-N231 PolarHBondContact O-N 2.86Å; I227-N231 PolarHBondContact O-ND2 2.91Å
228S82.1Confident70.1Confident71 Ų71108.4 Ų108.450%0.49755%0.553SS.*Hα-helixtrans-64.2-42.1178.5-56.90000112.4M224 D225 S230 N231 S232M224-S228 VanDerWaalsContact O-CB 3.23Å; M224-S228 WeakPolarHBondContact O-CB 3.41Å; M224-S228 PolarHBondContact O-N 3.49Å; M224-S228 PolarHBondContact O-OG 2.9Å; D225-S228 PolarHBondContact O-N 2.92Å; S228-S230 PolarHBondContact O-N 2.64Å; S228-N231 PolarHBondContact O-N 3.47Å; S228-S232 PolarHBondContact O-N 3.31Å
229S75.7Confident68Low72 Ų72112.4 Ų112.450%0.50358%0.575SS.*Hα-helixtrans-67.4-35177.1-61.80000112.4D225 T226 I227 N231 S232D225-S229 WeakPolarHBondContact O-CB 3.27Å; D225-S229 PolarHBondContact O-N 3.33Å; D225-S229 PolarHBondContact O-OG 3.27Å; T226-S229 PolarHBondContact O-N 3.26Å; I227-S229 PolarHBondContact O-N 3.08Å; S229-N231 PolarHBondContact O-N 2.89Å; S229-S232 PolarHBondContact O-N 3.01Å
230S66.5Low65.4Low72 Ų72116.2 Ų116.250%0.50360%0.596SS.*Hα-helixtrans-65.6-30.1174.774.30000112.1T226 I227 S228T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.49Å; T226-S230 PolarHBondContact O-N 3.1Å; T226-S230 PolarHBondContact O-OG 3.43Å; I227-S230 PolarHBondContact O-N 2.9Å; I227-S230 PolarHBondContact O-OG 2.85Å; S228-S230 PolarHBondContact O-N 2.64Å
231N61.7Low63.1Low93 Ų93118.6 Ų118.650%0.49761%0.609SS.*Hα-helixtrans-82.6-33.7175.8-67.7-25000112.8I227 S228 S229 R233 R234I227-N231 PolarHBondContact O-N 2.86Å; I227-N231 PolarHBondContact O-ND2 2.91Å; S228-N231 PolarHBondContact O-N 3.47Å; S229-N231 PolarHBondContact O-N 2.89Å; N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 3.15Å; N231-R234 WeakPolarHBondContact O-CB 3.28Å; N231-R234 PolarHBondContact O-N 3.15Å
232S57.1Low60.4Low82 Ų82120.9 Ų120.957%0.57362%0.619SS**Hα-helixtrans-64.6-29.5-178.91730000114S228 S229 R234 S235S228-S232 PolarHBondContact O-N 3.31Å; S229-S232 PolarHBondContact O-N 3.01Å; S232-R234 PolarHBondContact O-N 3.28Å; S232-R234 VanDerWaalsContact O-N 3.11Å; S232-S235 PolarHBondContact O-N 3.39Å
233R52.9Low57.9Low238 Ų238122.2 Ų122.290%0.89863%0.632SS**THydrogen-bonded Turntrans-66.8-9.8173.3-72.6-171.3-176.5-176.21.9113.9N231N231-R233 VanDerWaalsContact C-N 3.32Å; N231-R233 PolarHBondContact O-N 3.15Å
234R50.2Low55.4Low197 Ų197121 Ų12174%0.74363%0.63SS**THydrogen-bonded Turntrans-97-11.4-177.8-70.4-179.6131.7-163.5-5.4114.4N231 S232N231-R234 WeakPolarHBondContact O-CB 3.28Å; N231-R234 PolarHBondContact O-N 3.15Å; S232-R234 PolarHBondContact O-N 3.28Å; S232-R234 VanDerWaalsContact O-N 3.11Å
235S47.4Very low52.7Low84 Ų84125 Ų12559%0.58765%0.649SS**SBendtrans-102.5-1.2-164.871.80000117.8S232S232-S235 PolarHBondContact O-N 3.39Å
236N38.3Very low50.3Low140 Ų140127 Ų12775%0.74965%0.651SS**SBendtrans-125.885.8176.3-63.31.2000110.7
237N37.7Very low47.8Very low129 Ų129128.9 Ų128.969%0.6965%0.653SS**  trans165.172.3147.1-84.3-21.5000111
238T36.1Very low45.3Very low120 Ų120132.4 Ų132.474%0.73667%0.673SS**SBendtrans-12870.8158.250.70000107.6
239D42.7Very low43.1Very low165 Ų165135.3 Ų135.388%0.88268%0.682SS**SBendtrans-157.513.1154.8-86.5-33.3000111.3
240N32.2Very low41.1Very low137 Ų137135.6 Ų135.673%0.73368%0.684SS**SBendtrans-156.5119.8165.8-84.2-59.2000105.8
241K38.4Very low39.5Very low203 Ų203139.7 Ų139.788%0.88370%0.695SS**SBendtrans37.491.1167.8-70.1-179.7175.4174.70117.5
242K33.4Very low38.5Very low184 Ų184144.6 Ų144.680%0.871%0.712SS**  172.9114.7110-87.2-144.9178.5-167.60109.4
243E33.9Very low37.3Very low174 Ų174147.7 Ų147.781%0.81373%0.728SS**  trans-59.2166.7169.6-70.4167.6144.500113
244S36Very low36.1Very low63 Ų63138.3 Ų138.344%0.44171%0.705SS.*  trans9281.8164.171.20000116.3Y246S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 WeakPolarHBondContact O-CD2 3.14Å; S244-Y246 WeakPolarHBondContact O-CE2 3.32Å; S244-Y246 PolarHBondContact O-N 2.84Å; S244-Y246 VanDerWaalsContact O-N 3.16Å; S244-Y246 VanDerWaalsContact OG-CE2 3.28Å; S244-Y246 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y246 PolarHBondContact OG-OH 2.81Å
245E32.1Very low35.7Very low153 Ų153135.5 Ų135.572%0.71571%0.712SS**  24.178.489.5-165.7172-147.100112.5H247E245-H247 PolarHBondContact O-N 3.22Å; E245-H247 IonicContact OE1-CE1 3.93Å; E245-H247 IonicContact OE1-NE2 3.62Å; E245-H247 PolarHBondContact OE1-NE2 2.9Å
246Y34.9Very low35.2Very low122 Ų122134.6 Ų134.648%0.47872%0.716SS.*  trans-93.387.1157.3-79.2-73000107.4S244 K271S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 WeakPolarHBondContact O-CD2 3.14Å; S244-Y246 WeakPolarHBondContact O-CE2 3.32Å; S244-Y246 PolarHBondContact O-N 2.84Å; S244-Y246 VanDerWaalsContact O-N 3.16Å; S244-Y246 VanDerWaalsContact OG-CE2 3.28Å; S244-Y246 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y246 PolarHBondContact OG-OH 2.81Å; Y246-K271 VanDerWaalsContact CD1-NZ 3.33Å; Y246-K271 HydrophobicContact CE1-CD 3.52Å; Y246-K271 VanDerWaalsContact CE1-CE 3.45Å; Y246-K271 VanDerWaalsContact OH-CD 3.23Å; Y246-K271 WeakPolarHBondContact OH-CD 3.34Å; Y246-K271 WeakPolarHBondContact OH-CE 3.45Å; Y246-K271 PolarHBondContact OH-NZ 3.27Å
247H30.7Very low34.7Very low123 Ų123139.6 Ų139.657%0.56972%0.724SS**  trans-38.4135.7148.5-76.2-60.1000110.5E245 I249E245-H247 PolarHBondContact O-N 3.22Å; E245-H247 IonicContact OE1-CE1 3.93Å; E245-H247 IonicContact OE1-NE2 3.62Å; E245-H247 PolarHBondContact OE1-NE2 2.9Å; H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 HydrophobicContact CB-CG1 4.07Å; H247-I249 PolarHBondContact O-N 2.86Å
248D31Very low34.4Very low158 Ų158142.3 Ų142.385%0.84573%0.73SS**  trans-45.697.8149.2-72.6-43.1000109.1
249I37.3Very low34.3Very low132 Ų132146.6 Ų146.668%0.67773%0.734SS**  trans-106.169.5164.3-51.4172.5000106.3H247H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 HydrophobicContact CB-CG1 4.07Å; H247-I249 PolarHBondContact O-N 2.86Å
250S33.5Very low34.2Very low78 Ų78142 Ų14255%0.54573%0.726SS.*  trans-49.9145132.356.90000108
251H32.6Very low34.3Very low158 Ų158139.7 Ų139.773%0.73172%0.721SS**  trans101.881.6-179.9-44.8-44.8000115.3
252F39.6Very low34.1Very low196 Ų196141.6 Ų141.686%0.8672%0.723SS**  -157.745.3120.3-135.5-96.6000112.8G254F252-G254 PolarHBondContact O-N 2.79Å; F252-G254 VanDerWaalsContact O-N 3.15Å
253T32.9Very low34.3Very low147 Ų147139.1 Ų139.190%0.90272%0.723SS**  trans-8361.7158.952.60000108.7
254G27.2Very low34.3Very low41 Ų41138 Ų13842%0.42372%0.722SS.*  trans-105.2128.7167.300000108.2F252 G256F252-G254 PolarHBondContact O-N 2.79Å; F252-G254 VanDerWaalsContact O-N 3.15Å; G254-G256 PolarHBondContact O-N 3.03Å
255P40.9Very low34.5Very low139 Ų139140.2 Ų140.290%0.90373%0.725SS**SBendtrans-77115.1-170.430.7-30.9000109.5
256G36.8Very low35Very low64 Ų64144.6 Ų144.666%0.6674%0.735SS**  trans98.2101165.800000114.8G254G254-G256 PolarHBondContact O-N 3.03Å
257R29Very low35.6Very low245 Ų245146.3 Ų146.393%0.92575%0.752SS**  -175.198.3127.8-97.5158.6-166.6-882.9111
258F31.2Very low35.6Very low187 Ų187147.1 Ų147.182%0.8276%0.758SS**  trans37.9117132.1-106-101.8000121.6
259Y33.7Very low35.9Very low209 Ų209146.3 Ų146.382%0.8275%0.753SS**SBend20.4115129.8-60.3-86.7000119.9
260G40Very low36.1Very low69 Ų69143 Ų14371%0.71174%0.742SS**  trans84.356.3134.100000118.9
261S35.9Very low36.6Very low88 Ų88146.2 Ų146.262%0.61575%0.746SS**  trans-113.1109.4167.4-163.80000111.6
262R33.5Very low36.9Very low244 Ų244147 Ų14792%0.92174%0.743SS**  trans-60.2130.6171-71.4164.4145.4138.8-6.5110.3
263V37.9Very low36.9Very low132 Ų132144.7 Ų144.780%0.875%0.745SS**  trans-136.4128.6155-160.20000107.8
264D33Very low37.1Very low150 Ų150143.3 Ų143.380%0.80272%0.724SS**  trans-58125177.7-82.2-54.1000111.9
265E40.7Very low37.9Very low109 Ų109147.2 Ų147.251%0.50974%0.742SS.*THydrogen-bonded Turntrans-1012.8-174.5-124.4-161.5154.600114.2L267 M268 S270E265-L267 PolarHBondContact O-N 2.96Å; E265-L267 VanDerWaalsContact O-N 3.11Å; E265-M268 PolarHBondContact O-N 3.02Å; E265-S270 WeakPolarHBondContact OE1-CA 3.3Å; E265-S270 PolarHBondContact OE1-N 3.36Å
266R42.4Very low38.2Very low246 Ų246145.8 Ų145.893%0.92873%0.726SS**THydrogen-bonded Turntrans-66.3-8.3168.3-70.1-174.2-177.3174.91.8112.1
267L47.6Very low38.6Very low157 Ų157147.3 Ų147.382%0.82272%0.719SS**SBendtrans-99.962.6166.9-155.475.4000110E265E265-L267 PolarHBondContact O-N 2.96Å; E265-L267 VanDerWaalsContact O-N 3.11Å
268M31.6Very low39.8Very low141 Ų141140.4 Ų140.470%0.69571%0.706SS**SBendtrans58.9129.6163.9-54.7-65.213700119.2E265E265-M268 PolarHBondContact O-N 3.02Å
269D37.5Very low40.9Very low141 Ų141134.9 Ų134.975%0.75469%0.69SS**  trans43.982.8151.8-54-43.1000120.1
270S40.5Very low41.9Very low62 Ų62131.1 Ų131.143%0.43468%0.68SS.*  trans-151.589.4165.8-153.10000115E265 R272E265-S270 WeakPolarHBondContact OE1-CA 3.3Å; E265-S270 PolarHBondContact OE1-N 3.36Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 3.09Å
271K43.8Very low42.7Very low145 Ų145129.8 Ų129.863%0.6366%0.658SS**  trans-32.473.2161.2-66.7-177.1154.8-170.30116.9Y246Y246-K271 VanDerWaalsContact CD1-NZ 3.33Å; Y246-K271 HydrophobicContact CE1-CD 3.52Å; Y246-K271 VanDerWaalsContact CE1-CE 3.45Å; Y246-K271 VanDerWaalsContact OH-CD 3.23Å; Y246-K271 WeakPolarHBondContact OH-CD 3.34Å; Y246-K271 WeakPolarHBondContact OH-CE 3.45Å; Y246-K271 PolarHBondContact OH-NZ 3.27Å
272R38.5Very low43.2Very low175 Ų175130.2 Ų130.266%0.6666%0.659SS**  trans-136.275.5171.6-67.4-168.8-174.7-132.11.2111S270 Y274S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 3.09Å; R272-Y274 VanDerWaalsContact C-N 3.29Å; R272-Y274 HydrophobicContact CB-CD2 4.09Å; R272-Y274 HydrophobicContact CB-CE2 3.85Å; R272-Y274 WeakPolarHBondContact O-CD2 3.47Å; R272-Y274 PolarHBondContact O-N 3.11Å
273T39.9Very low44Very low147 Ų147127.2 Ų127.290%0.90265%0.653SS**  trans-63.388.9161.9-44.20000108.7
274Y37.2Very low44.1Very low118 Ų118122 Ų12246%0.46363%0.626SS.*PPolyproline II helixtrans-72.6154.4171.3-81.7-81.6000111R272 L276R272-Y274 VanDerWaalsContact C-N 3.29Å; R272-Y274 HydrophobicContact CB-CD2 4.09Å; R272-Y274 HydrophobicContact CB-CE2 3.85Å; R272-Y274 WeakPolarHBondContact O-CD2 3.47Å; R272-Y274 PolarHBondContact O-N 3.11Å; Y274-L276 PolarHBondContact O-N 3.41Å
275P44.2Very low44.7Very low123 Ų123122.5 Ų122.580%0.79962%0.623SS**PPolyproline II helixtrans-65.8120.5-175.3-13.628000110.4D277P275-D277 PolarHBondContact O-N 3.08Å
276L47.3Very low45.3Very low110 Ų110123.1 Ų123.158%0.57664%0.64SS**PPolyproline II helixtrans-52.7119.9-175.7-65.8161.1000111.1Y274 E280 T281Y274-L276 PolarHBondContact O-N 3.41Å; L276-E280 HydrophobicContact CD2-CB 4.4Å; L276-T281 HydrophobicContact CB-CG2 4.48Å
277D45.2Very low45.6Very low95 Ų95120.4 Ų120.451%0.50863%0.631SS.*PPolyproline II helixtrans-53.4137.5165.5-174.143.3000108.5P275 S279 E280P275-D277 PolarHBondContact O-N 3.08Å; D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 WeakPolarHBondContact OD2-CB 3.37Å; D277-S279 PolarHBondContact OD2-OG 2.89Å; D277-E280 PolarHBondContact O-N 2.68Å
278P53.3Low45.7Very low101 Ų101120.6 Ų120.666%0.65662%0.622SS**THydrogen-bonded Turntrans-57.2-17-176.3-27.135.3000114.1T281P278-T281 PolarHBondContact O-OG1 3.12Å
279S55.6Low46.9Very low70 Ų70122.4 Ų122.449%0.4963%0.633SS.*THydrogen-bonded Turntrans-74.4-25.617575.80000114.3D277D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 WeakPolarHBondContact OD2-CB 3.37Å; D277-S279 PolarHBondContact OD2-OG 2.89Å
280E53.5Low47.2Very low130 Ų130121.8 Ų121.861%0.60763%0.625SS**THydrogen-bonded Turntrans-94.4-13.7-178.7-66.6-172.8170.100113.5L276 D277L276-E280 HydrophobicContact CD2-CB 4.4Å; D277-E280 PolarHBondContact O-N 2.68Å
281T57.2Low47.9Very low41 Ų41123.3 Ų123.325%0.25263%0.629SS.*SBendtrans-53.9126169.855.20000108.9L276 P278 K283L276-T281 HydrophobicContact CB-CG2 4.48Å; P278-T281 PolarHBondContact O-OG1 3.12Å; T281-K283 PolarHBondContact O-N 3.11Å
282P46.5Very low48.3Very low98 Ų98123 Ų12364%0.63663%0.634SS**  trans-54.1116.9-177.8-24.331.5000108.5G284P282-G284 PolarHBondContact O-N 3.03Å
283K50.8Low49.1Very low180 Ų180124.4 Ų124.478%0.78364%0.639SS**  trans-73.746175.7-65.4173-175.4161.50110.2T281T281-K283 PolarHBondContact O-N 3.11Å
284G39.1Very low49.4Very low24 Ų24123 Ų12325%0.24763%0.631CS.*  trans-95.2138178.200000110P282 S286 Y287P282-G284 PolarHBondContact O-N 3.03Å; G284-S286 PolarHBondContact O-N 2.89Å; G284-Y287 PolarHBondContact O-N 3.16Å
285H46.3Very low49.7Very low160 Ų160126.3 Ų126.374%0.74165%0.65SS**THydrogen-bonded Turntrans-58.5-9.7179.3-32.782.5000113.7H290H285-H290 PolarHBondContact O-NE2 2.97Å
286S52.8Low49.8Very low122 Ų122128 Ų12885%0.85365%0.653SS**THydrogen-bonded Turntrans-85-17.9-178.550.40000114.5G284G284-S286 PolarHBondContact O-N 2.89Å
287Y49.5Very low49.4Very low188 Ų188125.9 Ų125.974%0.73766%0.658SS**SBendtrans-99.5-16.7-171.4-159.3-98000114.6G284G284-Y287 PolarHBondContact O-N 3.16Å
288Y50Low49.1Very low161 Ų161133.4 Ų133.463%0.63168%0.681SS**SBendtrans-95120172.4-78.6-86.2000109H290Y288-H290 PolarHBondContact O-N 3.46Å
289L56.3Low48.2Very low180 Ų180131.2 Ų131.294%0.94268%0.676SS**  trans-53.5102.5166-156.386.8000107.1D291L289-D291 PolarHBondContact O-N 2.84Å
290H44.5Very low47.7Very low127 Ų127134.1 Ų134.159%0.58869%0.694SS**  trans-67.2121.3176.8-64.4-69.9000107.3H285 Y288 D292H285-H290 PolarHBondContact O-NE2 2.97Å; Y288-H290 PolarHBondContact O-N 3.46Å; H290-D292 VanDerWaalsContact C-N 3.28Å; H290-D292 PolarHBondContact O-N 2.75Å
291D54.1Low47.3Very low94 Ų94139.1 Ų139.150%0.50371%0.707SS.*  trans-67.699.5157.5-166.97.3000105.2L289 R293L289-D291 PolarHBondContact O-N 2.84Å; D291-R293 PolarHBondContact O-N 3.28Å; D291-R293 IonicContact OD1-CZ 3.65Å; D291-R293 IonicContact OD1-NE 2.84Å; D291-R293 PolarHBondContact OD1-NE 3.49Å; D291-R293 IonicContact OD1-NH2 3.61Å; D291-R293 IonicContact OD2-NE 3.76Å
292D51.9Low46.9Very low139 Ų139147.3 Ų147.374%0.74373%0.733SS**G310 helixtrans-59.4-6.1178.947.3-18.9000113.1H290 T294H290-D292 VanDerWaalsContact C-N 3.28Å; H290-D292 PolarHBondContact O-N 2.75Å; D292-T294 PolarHBondContact O-N 3.09Å
293R55.7Low46.9Very low204 Ų204153 Ų15377%0.7774%0.742SS**G310 helixtrans-68.14.6174.4-73.7-174.6-93.9-156.7-16.1116D291D291-R293 PolarHBondContact O-N 3.28Å; D291-R293 IonicContact OD1-CZ 3.65Å; D291-R293 IonicContact OD1-NE 2.84Å; D291-R293 PolarHBondContact OD1-NE 3.49Å; D291-R293 IonicContact OD1-NH2 3.61Å; D291-R293 IonicContact OD2-NE 3.76Å
294T45.5Very low46.7Very low117 Ų117154.5 Ų154.572%0.71874%0.743SS**G310 helixtrans-138.550.7178.652.30000114.2D292D292-T294 PolarHBondContact O-N 3.09Å
295E45.4Very low46.8Very low188 Ų188159.5 Ų159.588%0.87976%0.764SS**  trans-69.7-21.8156.8-94.4-161157.200112.5G297E295-G297 PolarHBondContact O-N 3.2Å
296D46Very low46.4Very low160 Ų160156.1 Ų156.186%0.85675%0.751SS**SBendtrans-88.895.9178-66.4-34.8000112.4
297G38.8Very low46Very low65 Ų65159.5 Ų159.567%0.6775%0.751SS**  trans102.390.4148.800000115.9E295 G299E295-G297 PolarHBondContact O-N 3.2Å; G297-G299 PolarHBondContact O-N 2.96Å
298Y38.2Very low45.9Very low253 Ų253154.8 Ų154.899%0.99275%0.745SS**  trans-26.589.4144.3-76.8-101.5000114.3
299G34.4Very low45.6Very low55 Ų55152.1 Ų152.157%0.56774%0.742SS**  trans-120.5129.8167.800000110.1G297 R301G297-G299 PolarHBondContact O-N 2.96Å; G299-R301 PolarHBondContact O-N 3.23Å
300P44.9Very low45Very low131 Ų131153.8 Ų153.885%0.85174%0.736SS**  trans-63.1111.3-170.6-5.716.1000110R302P300-R302 PolarHBondContact O-N 2.88Å
301R46Very low45Very low234 Ų234155.3 Ų155.388%0.88375%0.747SS**  trans-22.2106.1169.3-61172100.2153.94.1109.8G299 R303G299-R301 PolarHBondContact O-N 3.23Å; R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.37Å
302R48.9Very low44.3Very low214 Ų214161.2 Ų161.281%0.80876%0.764SS**  trans-49.1101.3167.1-79.9-178.6177.2-173.21.2106P300 W304P300-R302 PolarHBondContact O-N 2.88Å; R302-W304 VanDerWaalsContact C-N 3.28Å; R302-W304 PolarHBondContact O-N 3.25Å
303R45Very low43.5Very low217 Ų217159.6 Ų159.682%0.81976%0.764SS**  trans-6298172-90.4-174.4171.9-166.2-3.9105.9R301 N305R301-R303 VanDerWaalsContact C-N 3.3Å; R301-R303 PolarHBondContact O-N 3.37Å; R303-N305 PolarHBondContact O-N 2.74Å
304W46.6Very low42.7Very low211 Ų211154.8 Ų154.880%0.79976%0.761SS**  trans-77.27.6174.2-91.690.3000113.1R302R302-W304 VanDerWaalsContact C-N 3.28Å; R302-W304 PolarHBondContact O-N 3.25Å
305N42.1Very low42.3Very low129 Ų129154 Ų15469%0.6976%0.761SS**SBendtrans-125.7137.7174.4-71.9-15000111.4R303R303-N305 PolarHBondContact O-N 2.74Å
306N38.2Very low41.8Very low90 Ų90155.7 Ų155.748%0.48176%0.76SS.*  trans106.640.1168-53.79.6000117.4
307K44.3Very low41.3Very low193 Ų193159.5 Ų159.584%0.83976%0.763SS**SBendtrans-95.1-20.2147.4-79.5-176.4179.1-178.60113.3
308S46.7Very low41.3Very low89 Ų89168 Ų16862%0.62278%0.775SS**SBendtrans-80.6-29-18043.60000114.2R310S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.95Å
309D44.5Very low41.3Very low104 Ų104161.7 Ų161.756%0.55676%0.758SS**THydrogen-bonded Turntrans-81.1-9.5-176.6-66.5-7.8000114.4
310R44.2Very low41.3Very low216 Ų216168.4 Ų168.482%0.81577%0.766SS**THydrogen-bonded Turntrans-79.6-16.5176.4-76.1-171.9-172.5161.52.5113.9S308S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.95Å
311L43.2Very low41Very low159 Ų159172.5 Ų172.583%0.83277%0.765SS**THydrogen-bonded Turntrans-99.5-5.3-176.2-70.6173.7000113.9
312Y39.9Very low40.5Very low217 Ų217166.6 Ų166.685%0.85176%0.759SS**THydrogen-bonded Turntrans-126.7-5.6-178.4-144.2-100.7000116.3S314Y312-S314 PolarHBondContact O-N 3.49Å
313S36Very low39.9Very low106 Ų106167.7 Ų167.774%0.74176%0.763SS**  trans-92.979.1167.1-146.40000109.5S315S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.43Å
314S37.5Very low39.7Very low103 Ų103163.1 Ų163.172%0.7276%0.762SS**  trans-54.5100.4163.4-178.20000107.7Y312 Y316Y312-S314 PolarHBondContact O-N 3.49Å; S314-Y316 PolarHBondContact O-N 2.91Å
315S36.7Very low39.4Very low101 Ų101159.7 Ų159.771%0.70677%0.765SS**  trans-61.1103.7168.952.70000107.5S313 R317S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.43Å; S315-R317 PolarHBondContact O-N 3.3Å
316Y36.2Very low39.1Very low222 Ų222158.3 Ų158.387%0.87177%0.765SS**  trans-41.9115.3151.5-76.9-87.4000107.8S314 R318S314-Y316 PolarHBondContact O-N 2.91Å; Y316-R318 VanDerWaalsContact C-N 3.31Å; Y316-R318 PolarHBondContact O-N 2.7Å
317R36Very low39.3Very low240 Ų240160.1 Ų160.191%0.90678%0.782SS**  trans-55.591.5171.5-71.3-109.1-173.4175.21.5108.9S315 D319S315-R317 PolarHBondContact O-N 3.3Å; R317-D319 VanDerWaalsContact C-N 3.25Å; R317-D319 PolarHBondContact O-N 2.76Å
318R36.9Very low39Very low245 Ų245156.5 Ų156.593%0.92578%0.781SS**  trans-85.584.5151.1-92-169.1-165.5176.36.1108Y316Y316-R318 VanDerWaalsContact C-N 3.31Å; Y316-R318 PolarHBondContact O-N 2.7Å
319D38.2Very low38.7Very low119 Ų119157.8 Ų157.864%0.63679%0.787SS**  trans10.2132.8132.3-126.418.8000118.2R317R317-D319 VanDerWaalsContact C-N 3.25Å; R317-D319 PolarHBondContact O-N 2.76Å
320R36.3Very low38.5Very low196 Ų196165 Ų16574%0.7481%0.806SS**  trans98.5110.5147.8-60.7175.7-169.9-155.1-0.6119.6
321R37.1Very low38.2Very low217 Ų217159.9 Ų159.982%0.81980%0.804SS**  trans89.594.3142.8-68.1174.8-177.6169.5-0.2117.8
322S35.1Very low38Very low110 Ų110158.1 Ų158.177%0.76980%0.804SS**  65.187.1121.7-46.10000117.1
323R37.9Very low37.9Very low237 Ų237157.5 Ų157.589%0.89480%0.801SS**  -157.8123.5120.1-106.7165.7-178.7167.80.7108.7T325R323-T325 PolarHBondContact O-N 3.49Å; R323-T325 VanDerWaalsContact O-N 3.12Å
324P39.9Very low38.2Very low122 Ų122157 Ų15779%0.79280%0.798SS**  trans-67.6113.4176.126.7-28.9000107.8S326P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 3.49Å
325T41.1Very low38.5Very low139 Ų139160.2 Ų160.285%0.85380%0.801SS**  trans-67.599.4162.1-44.70000106.1R323R323-T325 PolarHBondContact O-N 3.49Å; R323-T325 VanDerWaalsContact O-N 3.12Å
326S35.8Very low38.9Very low100 Ų100161.8 Ų161.870%0.69980%0.8SS**PPolyproline II helixtrans-55.8138.4174.221.70000109.8P324 S328P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 3.49Å; S326-S328 PolarHBondContact O-N 3.48Å
327P42.7Very low39.6Very low127 Ų127159.2 Ų159.283%0.82579%0.793SS**PPolyproline II helixtrans-77.6124.4-168.630.2-32.2000110.1
328S37.1Very low40.2Very low118 Ų118153.5 Ų153.583%0.82579%0.788SS**PPolyproline II helixtrans-82.9145.3166.2-136.60000109.9S326S326-S328 PolarHBondContact O-N 3.48Å
329P40.7Very low40.7Very low115 Ų115151.2 Ų151.275%0.74778%0.784SS**PPolyproline II helixtrans-75.2139.7-152.327.9-32.9000113.9S331P329-S331 PolarHBondContact O-N 2.68Å; P329-S331 VanDerWaalsContact O-N 3.1Å
330R39Very low41.2Very low256 Ų256154.3 Ų154.397%0.96679%0.792SS**  trans-58105.2172.3-83.2173.7158.9175.4-7110.4
331S39.4Very low41.5Very low109 Ų109156.3 Ų156.376%0.76280%0.8SS**  trans-78118.2158.8173.80000108.4P329 R333P329-S331 PolarHBondContact O-N 2.68Å; P329-S331 VanDerWaalsContact O-N 3.1Å; S331-R333 VanDerWaalsContact C-N 3.29Å; S331-R333 PolarHBondContact O-N 3.39Å
332S38.3Very low41.7Very low121 Ų121153.2 Ų153.285%0.84680%0.799SS**  trans-61.579.7173.533.80000111.5
333R38Very low42.4Very low204 Ų204156.1 Ų156.177%0.7780%0.8SS**  trans-90.8102.5167.9-167.1173.8-173.2174.32.4107.9S331 E335S331-R333 VanDerWaalsContact C-N 3.29Å; S331-R333 PolarHBondContact O-N 3.39Å; R333-E335 PolarHBondContact O-N 2.83Å
334S42.1Very low43Very low97 Ų97151.7 Ų151.768%0.67879%0.794SS**  trans-42.7128.3169.752.90000110.4I336S334-I336 PolarHBondContact O-N 3.19Å
335E43.7Very low43.1Very low169 Ų169155.5 Ų155.579%0.7980%0.798SS**  trans-57.8101.2177.4-65.9177174.600109.8R333 K337R333-E335 PolarHBondContact O-N 2.83Å; E335-K337 PolarHBondContact O-N 3.38Å
336I46.3Very low42.8Very low135 Ų135158.2 Ų158.269%0.69280%0.798SS**  trans-73.189.7167.5-60.2155.7000105.4S334S334-I336 PolarHBondContact O-N 3.19Å
337K50.7Low43.2Very low167 Ų167162.3 Ų162.373%0.72681%0.806SS**  trans-56.1134.1169.7-71.8-176.4178.7177.60107.9E335 K339E335-K337 PolarHBondContact O-N 3.38Å; K337-K339 PolarHBondContact O-N 3.41Å
338P47.5Very low43.1Very low121 Ų121164.2 Ų164.279%0.78680%0.804SS**  trans-62.7108-179.725.8-32.8000108.6K340P338-K340 PolarHBondContact O-N 3.33Å
339K47.7Very low43.3Very low197 Ų197167.5 Ų167.586%0.85781%0.809SS**  trans-59.4103.6166.4-91.2-179.1171.7-177.20106.6K337 W341K337-K339 PolarHBondContact O-N 3.41Å; K339-W341 PolarHBondContact O-N 2.92Å
340K48.1Very low43Very low183 Ų183170.3 Ų170.380%0.79681%0.812SS**  trans-51134.8159.4-68.9175.9178179.50106P338 L342P338-K340 PolarHBondContact O-N 3.33Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.4Å
341W44Very low42.7Very low239 Ų239160.5 Ų160.591%0.90579%0.79SS**  trans-60.699.5179.1-65.525.9000106.5K339 H343K339-W341 PolarHBondContact O-N 2.92Å; W341-H343 PolarHBondContact O-N 3.19Å
342L40.4Very low42.4Very low152 Ų152162.9 Ų162.980%0.79680%0.795SS**  trans-71.5115163.4-88.7107000104.2K340 D344K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.4Å; L342-D344 PolarHBondContact O-N 3.42Å
343H49.1Very low42.1Very low171 Ų171162.2 Ų162.279%0.79279%0.79SS**  trans-55.6122.9159.6-62.7173.1000106W341 K345W341-H343 PolarHBondContact O-N 3.19Å; H343-K345 PolarHBondContact O-N 3.46Å
344D51.1Low41.8Very low144 Ų144158.2 Ų158.277%0.7779%0.794SS**  trans-48.4112.9174.6-68-46.2000108.4L342 F346L342-D344 PolarHBondContact O-N 3.42Å; D344-F346 PolarHBondContact O-N 3.26Å; D344-F346 VanDerWaalsContact O-N 3.07Å
345K42.6Very low41.8Very low202 Ų202158.7 Ų158.788%0.87880%0.797SS**  6223.194.2-93-131.3179.1-158.70115.5H343H343-K345 PolarHBondContact O-N 3.46Å
346F34.9Very low41.3Very low196 Ų196159.5 Ų159.586%0.8680%0.801SS**  trans-103.7133.3157-96.4-93.4000109.4D344D344-F346 PolarHBondContact O-N 3.26Å; D344-F346 VanDerWaalsContact O-N 3.07Å
347E43Very low41Very low185 Ų185162.3 Ų162.386%0.86481%0.808SS**SBendtrans8084.1-173.5-64.7-175.3137.300116.1
348E40.5Very low40.6Very low167 Ų167160.2 Ų160.278%0.7881%0.811SS**  trans-17666.9133.7-98.3166.6-155.200106E350E348-E350 PolarHBondContact O-N 3.29Å
349M41.9Very low40.6Very low188 Ų188162.1 Ų162.193%0.92681%0.813SS**  trans-82.274150.9-75.7-71.2-70.100105.4
350E35.6Very low40.4Very low173 Ų173158 Ų15881%0.80881%0.807SS**  trans-81.8123.1158-75-171.9157.600107.2E348E348-E350 PolarHBondContact O-N 3.29Å
351G32.2Very low40.6Very low50 Ų50157.3 Ų157.352%0.51581%0.808SS.*  trans127.7114177.800000109.6
352D32.1Very low41Very low159 Ų159151.7 Ų151.785%0.8580%0.803SS**  cis-160.6165.816.8-82.1-49000108.7
353S31.9Very low41.9Very low107 Ų107150.8 Ų150.875%0.74880%0.803SS**  trans98.782.2158.8-40.40000116.7S355S353-S355 PolarHBondContact O-N 2.76Å
354S33.3Very low42Very low121 Ų121148.2 Ų148.285%0.84680%0.802SS**  trans-10.6108.2131.654.20000116
355S40.7Very low42Very low107 Ų107145.5 Ų145.575%0.74880%0.799SS**  trans-177.7118.3132.842.80000110.7S353S353-S355 PolarHBondContact O-N 2.76Å
356Q34.8Very low42.2Very low186 Ų186141.9 Ų141.987%0.86980%0.796SS**  trans25.4106.3150.3-70.3172.5-3400118.8
357K39Very low42.8Very low194 Ų194141.6 Ų141.684%0.84380%0.795SS**  -168.1136.2119.6-99.2161.7-170.3-178.20108.5I359K357-I359 PolarHBondContact O-N 2.87Å
358P43.3Very low43Very low123 Ų123138.5 Ų138.580%0.79979%0.79SS**PPolyproline II helixtrans-61.6126.517725.2-31.6000109.3P360P358-P360 WeakPolarHBondContact O-CD 3.44Å
359I45.6Very low43.5Very low160 Ų160137.3 Ų137.382%0.82179%0.788SS**PPolyproline II helixtrans-62121.3175.6-61.8163000107.2K357 M361K357-I359 PolarHBondContact O-N 2.87Å; I359-M361 PolarHBondContact O-N 3.26Å
360P44.7Very low43.4Very low112 Ų112135 Ų13573%0.72778%0.779SS**PPolyproline II helixtrans-63.1136-178.223.5-31.1000110.1P358P358-P360 WeakPolarHBondContact O-CD 3.44Å
361M51.3Low43.3Very low168 Ų168136.6 Ų136.683%0.82878%0.778SS**PPolyproline II helixtrans-56.8139.7176.6-71.5-171.862.200110.4I359 V363I359-M361 PolarHBondContact O-N 3.26Å; M361-V363 PolarHBondContact O-N 3.11Å; M361-V363 VanDerWaalsContact O-N 3.17Å
362P53Low43.9Very low121 Ų121138.7 Ų138.779%0.78678%0.784SS**PPolyproline II helixtrans-60.2121.7179.123.4-32.1000110.2
363V58.5Low44.3Very low133 Ų133136.3 Ų136.381%0.80678%0.776SS**PPolyproline II helixtrans-61.9129.3174.7-179.10000108.5M361 A365M361-V363 PolarHBondContact O-N 3.11Å; M361-V363 VanDerWaalsContact O-N 3.17Å; V363-A365 PolarHBondContact O-N 3.19Å
364P51.2Low44.7Very low117 Ų117136.7 Ų136.776%0.7677%0.768SS**PPolyproline II helixtrans-58.8128.5177.3-22.532.5000111
365A51.8Low44.9Very low87 Ų87134 Ų13472%0.71976%0.76SS**PPolyproline II helixtrans-55141175.300000110.9V363 K367V363-A365 PolarHBondContact O-N 3.19Å; A365-K367 PolarHBondContact O-N 3.38Å
366P46.8Very low44.7Very low126 Ų126138.4 Ų138.482%0.81877%0.766SS**PPolyproline II helixtrans-58.2130.5-179.220.4-29.7000110.6
367K47.7Very low44.9Very low189 Ų189136.5 Ų136.582%0.82276%0.757SS**PPolyproline II helixtrans-59.8140.9175.3-64.9172.5-177.2169.90108.6A365 I369A365-K367 PolarHBondContact O-N 3.38Å; K367-I369 PolarHBondContact O-N 3.34Å
368P47.3Very low44.7Very low120 Ų120134.7 Ų134.778%0.77976%0.755SS**PPolyproline II helixtrans-58.4128.5178.525-33.5000109.7L370P368-L370 PolarHBondContact O-N 2.86Å; P368-L370 VanDerWaalsContact O-N 3.15Å
369I50.1Low44.2Very low142 Ų142136.3 Ų136.373%0.72876%0.756SS**  trans-62.9114.3172.3-62.8168.8000106.2K367 W371K367-I369 PolarHBondContact O-N 3.34Å; I369-W371 PolarHBondContact O-N 3.46Å
370L40.1Very low43.6Very low141 Ų141135.2 Ų135.274%0.73875%0.752SS**  trans-71.2107.8167-86.9144.9000106.7P368 S372P368-L370 PolarHBondContact O-N 2.86Å; P368-L370 VanDerWaalsContact O-N 3.15Å; L370-S372 PolarHBondContact O-N 2.89Å
371W33.3Very low42.9Very low205 Ų205133.1 Ų133.178%0.77775%0.751SS**  trans-69.337.4174.8-76.749.1000112.3I369 I374I369-W371 PolarHBondContact O-N 3.46Å; W371-I374 HydrophobicContact CB-CD1 4.36Å; W371-I374 HydrophobicContact CD2-CD1 3.53Å; W371-I374 HydrophobicContact CE3-CD1 3.02Å; W371-I374 HydrophobicContact CG-CD1 4.14Å; W371-I374 HydrophobicContact CH2-CD1 4.17Å; W371-I374 HydrophobicContact CZ3-CD1 3.38Å
372S45.1Very low42.1Very low94 Ų94133 Ų13366%0.65775%0.753SS**SBendtrans-93.713.2178.850.50000113.7L370L370-S372 PolarHBondContact O-N 2.89Å
373T41.6Very low41Very low110 Ų110136.5 Ų136.568%0.67576%0.756SS**  trans-139.112.6179.551.60000116.2G375T373-G375 PolarHBondContact O-N 2.94Å
374I39.4Very low39.7Very low114 Ų114137.2 Ų137.259%0.58576%0.761SS**THydrogen-bonded Turntrans-66.1105.3165.2-68.7158.5000106.9W371W371-I374 HydrophobicContact CB-CD1 4.36Å; W371-I374 HydrophobicContact CD2-CD1 3.53Å; W371-I374 HydrophobicContact CE3-CD1 3.02Å; W371-I374 HydrophobicContact CG-CD1 4.14Å; W371-I374 HydrophobicContact CH2-CD1 4.17Å; W371-I374 HydrophobicContact CZ3-CD1 3.38Å
375G37.8Very low38.7Very low66 Ų66137 Ų13768%0.6876%0.757SS**THydrogen-bonded Turntrans150.82.4-173.300000115.3T373T373-G375 PolarHBondContact O-N 2.94Å
376K36.3Very low37.7Very low199 Ų199137.7 Ų137.787%0.86575%0.752SS**  trans-14352.5175.5-64.8-169.5-179.4-175.60114.1
377E39.1Very low36.9Very low145 Ų145137.6 Ų137.668%0.67875%0.754SS**  trans-122.6127.9145.557.5-89.3176.400104.6
378I35.2Very low36.3Very low157 Ų157134 Ų13481%0.80575%0.745SS**  cis-153.2107.845.5-64.1150.4000105.7
379L31.9Very low35.8Very low157 Ų157136 Ų13682%0.82275%0.748SS**SBendtrans-141.7118.2156.5-125.6103.7000108.1
380N32.7Very low35Very low137 Ų137136 Ų13673%0.73375%0.745SS**  trans82.374.3162-52.3-14.8000116.2
381G30.2Very low34.5Very low68 Ų68135.7 Ų135.770%0.70175%0.745SS**  28.9107.512300000118
382N34.3Very low34.2Very low166 Ų166137.3 Ų137.389%0.88875%0.752SS**  trans-129.5112.4137.6-84.6-30.1000107.4T384N382-T384 PolarHBondContact O-N 3.48Å
383K30.5Very low33.3Very low193 Ų193138 Ų13884%0.83976%0.757SS**  trans-65.4112.3-179.9-61.2168.4179.31780108.4V385K383-V385 HydrophobicContact CB-CG2 4.05Å; K383-V385 PolarHBondContact O-N 3.18Å
384T31.4Very low32.8Very low149 Ų149137.8 Ų137.891%0.91476%0.758SS**  trans-81.6105.6153.236.50000107.6N382N382-T384 PolarHBondContact O-N 3.48Å
385V30.3Very low32.2Very low111 Ų111139.1 Ų139.167%0.67377%0.766SS**  trans-75.1130.5-170.8155.60000110.4K383K383-V385 HydrophobicContact CB-CG2 4.05Å; K383-V385 PolarHBondContact O-N 3.18Å
386V30.8Very low31.8Very low103 Ų103141.7 Ų141.762%0.62477%0.773SS**  trans74.7103.7139.9-1770000118D388V386-D388 HydrophobicContact CG1-CB 4.15Å
387S29.1Very low31.7Very low123 Ų123136.8 Ų136.886%0.8677%0.77SS**  trans-73.1113.5135.9-59.70000108.5
388D35.3Very low31.3Very low115 Ų115133.7 Ų133.762%0.61577%0.769SS**  trans-87.793.3159.8-114.9-22.7000106.5V386 Q390V386-D388 HydrophobicContact CG1-CB 4.15Å; D388-Q390 PolarHBondContact OD1-NE2 2.92Å
389D36.7Very low30.9Very low161 Ų161133.1 Ų133.186%0.86177%0.768SS**  trans-132.194.1150.8-88.2-35.1000104.4
390Q34.3Very low31Very low142 Ų142135.2 Ų135.266%0.66477%0.774SS**  trans-68.4139.5-177.1-72.1-77.2-28.800110.5D388D388-Q390 PolarHBondContact OD1-NE2 2.92Å
391N29.7Very low30.8Very low135 Ų135133.8 Ų133.872%0.72277%0.774SS**  trans87.283.4159.9-50.3-44.7000117.1
392Y25.6Very low31Very low239 Ų239135.9 Ų135.994%0.93778%0.775SS**  -157.9103128.8-116.7-82000111.1
393S27.5Very low30.5Very low109 Ų109135.3 Ų135.376%0.76277%0.771SS**  trans-166.1130.4152-156.90000109.3
394P30.3Very low30.5Very low105 Ų105132.2 Ų132.268%0.68277%0.769SS**  -144.1139.6111.833.9-17.7000114.9
395N26.3Very low30.2Very low141 Ų141132.6 Ų132.675%0.75477%0.765SS**  trans52.7119.2133.7-58.5-18.4000120
396S29.7Very low30.3Very low120 Ų120133.8 Ų133.884%0.83977%0.768SS**  167.4127.4101.8-72.40000112.4
397A35.4Very low30.4Very low96 Ų96137.2 Ų137.279%0.79378%0.777SS**  trans134.165.6162.900000109.2
398A29.3Very low30.4Very low81 Ų81137.6 Ų137.667%0.66977%0.769SS**  51.593.866.400000113
399N28.2Very low30.5Very low144 Ų144140.4 Ų140.477%0.7778%0.783SS**  trans74.1107.9138.2-48-31.9000118.3
400Q34.2Very low30Very low202 Ų202137.3 Ų137.394%0.94477%0.77SS**  -143.2131.9123-106.717063.100110.4
401S27.2Very low29.9Very low107 Ų107137.4 Ų137.475%0.74878%0.775SS**  trans-87.5171.6-157.6-58.50000113.8
402P34.9Very low29.8Very low111 Ų111140 Ų14072%0.72178%0.78SS**  trans-98.1-178.1-173.236.9-26.8000113.2
403L23.3Very low30.2Very low154 Ų154137.1 Ų137.181%0.80678%0.78SS**  trans113.3118.8168.6-8673.9000114.4
404T31.5Very low30.3Very low128 Ų128139.7 Ų139.779%0.78578%0.78SS**  -171112100.741.50000109.2
405D25.8Very low30.3Very low157 Ų157140.8 Ų140.884%0.8478%0.784SS**  trans-76.3137.4151.2-64.8-45.2000107.9
406N31.9Very low30.5Very low136 Ų136143 Ų14373%0.72779%0.788SS**  trans-164.698.7157.1-89.2-25.6000107.1
407E32.4Very low30.4Very low175 Ų175142.9 Ų142.982%0.81878%0.781SS**  80105.495.2-75.1-168.5-170.900114.8
408N28.5Very low30.1Very low131 Ų131147 Ų14770%0.70178%0.784SS**  trans52.995132.9-109.1-18.9000119.2T410N408-T410 PolarHBondContact OD1-OG1 3.43Å
409I37.4Very low30Very low175 Ų175147.3 Ų147.390%0.89778%0.781SS**  trans-117.973.8144.5-53.8175.6000107.4
410T26.2Very low30.2Very low95 Ų95147.3 Ų147.358%0.58379%0.786SS**  trans-97.9114.9156.143.90000107N408N408-T410 PolarHBondContact OD1-OG1 3.43Å
411N31.9Very low30Very low145 Ų145144.5 Ų144.578%0.77578%0.782SS**  trans149.2129138.2-71.9-33.9000113.5
412K28.8Very low30Very low188 Ų188144.1 Ų144.182%0.81778%0.78SS**  trans8195.7158.1-65.6-177.2177.6-175.30119
413L33.4Very low29.7Very low179 Ų179146.3 Ų146.394%0.93779%0.786SS**  trans-148.678.2130.9-108.2153.4000108.4
414E30.3Very low30Very low164 Ų164145 Ų14577%0.76679%0.789SS**  trans-70.7139.7163.8-73.8179.9152.100109.7
415T29.8Very low29.7Very low127 Ų127145.3 Ų145.378%0.77979%0.791SS**  trans57.886150.157.20000119.3
416K29.8Very low29.7Very low189 Ų189143.2 Ų143.282%0.82278%0.784SS**  trans-119.970.7143.5-154.6174.2-174.6-177.40110
417V28.9Very low29.5Very low116 Ų116146.5 Ų146.570%0.70379%0.786SS**  trans-78.2136.1162.9173.40000107.4
418Q27.9Very low29.2Very low182 Ų182143.2 Ų143.285%0.8578%0.782SS**SBendtrans73.285.6172.6-74.7164.2-6.900117.7
419S28Very low29.2Very low88 Ų88143.2 Ų143.262%0.61578%0.783SS**  trans-173.960.2141.442.70000112
420V33.2Very low28.7Very low145 Ų145143.5 Ų143.588%0.87978%0.78SS**SBendtrans-140.343.8160.3-161.60000109.9
421V29.6Very low28.9Very low142 Ų142146 Ų14686%0.86179%0.79SS**SBendtrans-132.264.8166.8-172.20000107.8
422S27Very low28.6Very low100 Ų100145.5 Ų145.570%0.69979%0.792SS**SBendtrans-162.6132.2159.7-210000107.2
423N27.4Very low28.5Very low157 Ų157141.8 Ų141.884%0.8479%0.788SS**  trans95.575.3168.8-44.7-15.6000116
424S30.6Very low28.2Very low125 Ų125138.8 Ų138.887%0.87478%0.777SS**  -155.258.4126.3560000111.1
425T24.3Very low28.1Very low135 Ų135139.6 Ų139.683%0.82878%0.778SS**  trans-76.7116.9149.9-47.70000105.6
426V27.3Very low28.1Very low113 Ų113142.2 Ų142.269%0.68578%0.782SS**  trans161.8126.5140.1160.30000110.8
427R26.8Very low28.3Very low205 Ų205141.1 Ų141.177%0.77478%0.78SS**  trans8787.6156.9-77.9161.3-167.2-159.2-0.5119.2N429R427-N429 PolarHBondContact O-N 3.46Å
428S25.5Very low28.3Very low106 Ų106143.3 Ų143.374%0.74178%0.782SS**  -37.2112.4125.1520000111.6
429N29.2Very low28.7Very low132 Ų132141.8 Ų141.871%0.70678%0.779SS**  trans-122.8102.2152.4-82.6-14.2000106.7R427 N431R427-N429 PolarHBondContact O-N 3.46Å; N429-N431 PolarHBondContact O-N 2.85Å; N429-N431 VanDerWaalsContact O-N 3.09Å
430E28Very low28.7Very low180 Ų180144.7 Ų144.784%0.84179%0.787SS**  trans-55.8102.9159.6-62167.5-178.700107.6
431N29.3Very low29Very low148 Ų148142.9 Ų142.979%0.79178%0.781SS**  trans-125.594.5159.9-88.4-17.9000107.1N429 C433N429-N431 PolarHBondContact O-N 2.85Å; N429-N431 VanDerWaalsContact O-N 3.09Å; N431-C433 PolarHBondContact O-N 2.76Å
432V25.6Very low29.1Very low135 Ų135143.4 Ų143.482%0.81877%0.774SS**  trans-55101.6156.4175.50000106.8T434V432-T434 HydrophobicContact CG1-CG2 4.38Å
433C26.3Very low29.6Very low109 Ų109145.1 Ų145.174%0.73677%0.774SS**  trans-106.992.6165.6-165.20000107.8N431 K435N431-C433 PolarHBondContact O-N 2.76Å; C433-K435 PolarHBondContact O-N 2.85Å
434T27.5Very low30.1Very low116 Ų116145.7 Ų145.771%0.71277%0.769SS**  trans-63.7110.9153.846.80000107.8V432V432-T434 HydrophobicContact CG1-CG2 4.38Å
435K29.2Very low30.3Very low182 Ų182147.7 Ų147.779%0.79177%0.765SS**  trans-166.5124.1149-104.3159.9-168.5-169.90109.3C433 E437C433-K435 PolarHBondContact O-N 2.85Å; K435-E437 PolarHBondContact O-N 2.81Å
436E28.9Very low30.9Very low181 Ų181148.5 Ų148.585%0.84676%0.763SS**  trans-56.799.6169.1-64.1164.2155.100108.6
437E33.2Very low31.5Very low167 Ų167149.1 Ų149.178%0.7876%0.763SS**  trans-99.3102.1160.9-74.3-172.817700107.2K435 L439K435-E437 PolarHBondContact O-N 2.81Å; E437-L439 PolarHBondContact O-N 3.41Å
438H28.8Very low32.4Very low161 Ų161143.6 Ų143.675%0.74575%0.751SS**  trans-53.684.6163.2-75-87000109.7N440H438-N440 VanDerWaalsContact C-N 3.26Å; H438-N440 PolarHBondContact O-N 3.24Å
439L36.5Very low33.5Very low151 Ų151144.6 Ų144.679%0.79175%0.748SS**  trans-7692160.1-70.9174.2000106.9E437 S441E437-L439 PolarHBondContact O-N 3.41Å; L439-S441 PolarHBondContact O-N 2.89Å
440N28.2Very low34Very low149 Ų149145.6 Ų145.680%0.79775%0.748SS**  trans-56.385.6162.5-65.7-29.5000108.7H438 E442H438-N440 VanDerWaalsContact C-N 3.26Å; H438-N440 PolarHBondContact O-N 3.24Å; N440-E442 PolarHBondContact O-N 3.21Å
441S40.5Very low35.1Very low106 Ų106142.2 Ų142.274%0.74174%0.74SS**  trans-87.595.3160430000107.9L439 I443L439-S441 PolarHBondContact O-N 2.89Å; S441-I443 PolarHBondContact O-N 2.72Å
442E31.3Very low36Very low153 Ų153141.7 Ų141.772%0.71573%0.731SS**  trans-46.9120.1171.5-158.8167-159.200110.1N440 F444N440-E442 PolarHBondContact O-N 3.21Å; E442-F444 HydrophobicContact CB-CE2 4.36Å; E442-F444 WeakPolarHBondContact O-CD2 3.36Å; E442-F444 PolarHBondContact O-N 2.8Å; E442-F444 VanDerWaalsContact O-N 3.07Å
443I38.4Very low37.1Very low137 Ų137140.8 Ų140.870%0.70372%0.721SS**  trans-73.399.4177.6-62.3168.2000106.7S441 H445S441-I443 PolarHBondContact O-N 2.72Å; I443-H445 PolarHBondContact O-N 3.41Å
444F36.6Very low38.2Very low169 Ų169142 Ų14274%0.74172%0.716SS**  trans-70.499.7170.2-71-81.7000109.2E442 L446E442-F444 HydrophobicContact CB-CE2 4.36Å; E442-F444 WeakPolarHBondContact O-CD2 3.36Å; E442-F444 PolarHBondContact O-N 2.8Å; E442-F444 VanDerWaalsContact O-N 3.07Å; F444-L446 PolarHBondContact O-N 3.01Å
445H35.2Very low39.4Very low167 Ų167139.9 Ų139.977%0.77371%0.71SS**  trans-73.3100.5162.1-80.1-66.2000108.2I443 D447I443-H445 PolarHBondContact O-N 3.41Å; H445-D447 PolarHBondContact O-N 3.47Å
446L36.4Very low40.5Very low151 Ų151137.8 Ų137.879%0.79171%0.706SS**  trans-80.9107.5165.9-74.3166.8000108F444 V448F444-L446 PolarHBondContact O-N 3.01Å; L446-V448 PolarHBondContact O-N 2.94Å; L446-V448 VanDerWaalsContact O-N 3.12Å
447D41Very low41.3Very low127 Ų127138 Ų13868%0.67971%0.707SS**  trans-67.9104.4168.2-83.2-24.2000108.7H445 D449H445-D447 PolarHBondContact O-N 3.47Å; D447-D449 PolarHBondContact O-N 3.16Å
448V45.9Very low41.8Very low89 Ų89142.5 Ų142.554%0.53972%0.717SS.*THydrogen-bonded Turntrans-67-15.3-175.5179.20000112.1L446 H450 F452L446-V448 PolarHBondContact O-N 2.94Å; L446-V448 VanDerWaalsContact O-N 3.12Å; V448-H450 PolarHBondContact O-N 3.24Å; V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG1-CE2 3.71Å; V448-F452 WeakPolarHBondContact O-CD2 3.23Å
449D46.7Very low42.4Very low126 Ų126141.6 Ų141.667%0.67472%0.716SS**Hα-helixtrans-71.4-28.9-177.3-64.9-17.5000112.8D447D447-D449 PolarHBondContact O-N 3.16Å
450H41.4Very low42.8Very low154 Ų154141.1 Ų141.171%0.71371%0.712SS**Hα-helixtrans-76.6-21.5180-92.760.5000114.4V448 F452V448-H450 PolarHBondContact O-N 3.24Å; H450-F452 VanDerWaalsContact C-N 3.33Å
451V50.4Low43.6Very low109 Ų109140.7 Ų140.766%0.66171%0.707SS**Hα-helixtrans-78.5-23.1-178.9-176.30000111.3
452F48.5Very low43.8Very low137 Ų137142.7 Ų142.760%0.60171%0.705SS**Hα-helixtrans-81.5-25.9-180-78.6-73.1000113.6V448 H450V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG1-CE2 3.71Å; V448-F452 WeakPolarHBondContact O-CD2 3.23Å; H450-F452 VanDerWaalsContact C-N 3.33Å
453D48.8Very low44.5Very low116 Ų116142.1 Ų142.162%0.6271%0.705SS**Hα-helixtrans-77.1-33.5179.6-70.6-18000112.1A455 I456D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.1Å; D453-I456 PolarHBondContact O-N 2.94Å
454E49.8Very low44.9Very low134 Ų134142.4 Ų142.463%0.62671%0.705SS**Hα-helixtrans-73.1-20.8178.4-156.4-177.2171.400113I456 R458E454-I456 VanDerWaalsContact C-N 3.34Å; E454-R458 IonicContact OE1-NH2 3.28Å
455A51.6Low45.5Very low71 Ų71140.5 Ų140.559%0.58770%0.702SS**THydrogen-bonded Turntrans-82.9-7.1179.100000114D453D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.1Å
456I51.5Low46.3Very low139 Ų139138.5 Ų138.571%0.71370%0.697SS**THydrogen-bonded Turntrans-98.3-14.5179.8-64.9173.5000111.9D453 E454D453-I456 PolarHBondContact O-N 2.94Å; E454-I456 VanDerWaalsContact C-N 3.34Å
457E46.9Very low47.1Very low184 Ų184137.4 Ų137.486%0.8669%0.689SS**  trans-102.211179.2-74.3-165.5162.500115.5
458R43.3Very low47.7Very low263 Ų263138.4 Ų138.499%0.99269%0.69SS**  trans-120.20166.7-65.3-170.6-172.3-172.87.2110.6E454E454-R458 IonicContact OE1-NH2 3.28Å

Retrieved 458 of 458 residues in 55.4 ms (Link to these results)