A0A5K4F7U0_SCHMA Loading...

MADF domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7U0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 525 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.5Low52.9Low218 Ų218143.7 Ų143.7100%1.07478%0.782SS**  01130-71.9178.7170.900106.3
2D48.2Very low52.7Low146 Ų146144.3 Ų144.378%0.78178%0.784SS**  53.5126.2114-42.5-6.4000116.2
3S53.4Low53Low101 Ų101144.8 Ų144.871%0.70678%0.783SS**  cis-162.3158.3-0.4-80.90000110.4
4N51.9Low53.2Low145 Ų145148.1 Ų148.178%0.77579%0.791SS**  trans7.8140.1148.2-49.1-22.7000120
5L56.4Low53.5Low149 Ų149147.1 Ų147.178%0.7879%0.786SS**  -156.5130.8109.9-126.580.1000111.3
6D59Low53.4Low123 Ų123148.2 Ų148.266%0.65879%0.789SS**  trans45.9121.6151-46.6-21.1000119.8
7Q50.6Low53.6Low181 Ų181147.8 Ų147.885%0.84679%0.788SS**  50.5131.267.6-61.8-171.45.200112.7
8S51.5Low53.3Low102 Ų102149.9 Ų149.971%0.71379%0.792SS**  cis-167.6-178.1-6.950.70000107
9E51.7Low53.3Low176 Ų176148.7 Ų148.782%0.82279%0.791SS**  cis-134.6-141.613.3-64.6-174.266.300111.8
10N52.1Low53.2Low141 Ų141146.7 Ų146.775%0.75479%0.786SS**  trans-94.1144.1-174.3-56.3-43.3000111.7
11S50.3Low53Low99 Ų99148.4 Ų148.469%0.69279%0.79SS**  69.9140.8101.6930000114.3
12D51.3Low52.5Low150 Ų150145 Ų14580%0.80277%0.771SS**  cis-136.3167.338.7-69.3-45.2000114.9
13I56.5Low52.6Low151 Ų151143.9 Ų143.977%0.77477%0.765SS**  trans-94.8120.7-179.1-67.1164.6000109.4N15I13-N15 PolarHBondContact O-N 3.09Å
14E55.7Low52.4Low191 Ų191145.5 Ų145.589%0.89377%0.766SS**  trans-70.192.4167.7-71.5-171.6154.900110.1
15N57.4Low52.2Low134 Ų134146.5 Ų146.572%0.71777%0.765SS**  trans-79.6122.2170-116.10.8000109.6I13 D17I13-N15 PolarHBondContact O-N 3.09Å; N15-D17 PolarHBondContact O-N 3.37Å
16I52.1Low51.6Low164 Ų164147.3 Ų147.384%0.84176%0.763SS**  trans-83.191.9176.8-58.6171.1000107.9
17D56.3Low51Low142 Ų142147.8 Ų147.876%0.75976%0.761SS**PPolyproline II helixtrans-83.6126.4171.5-87.2-34.8000111.1N15N15-D17 PolarHBondContact O-N 3.37Å
18E48.9Very low50.8Low186 Ų186143.6 Ų143.687%0.86975%0.748SS**PPolyproline II helixtrans-65.4130.8176.8-67.9-178.9125.100111.3P20E18-P20 VanDerWaalsContact O-CD 3.29Å; E18-P20 WeakPolarHBondContact O-CD 3.5Å
19V53.8Low50.4Low126 Ų126143.6 Ų143.676%0.76474%0.74SS**PPolyproline II helixtrans-79.8118.7178177.10000110.6E21V19-E21 PolarHBondContact O-N 3.39Å
20P51.5Low50.2Low109 Ų109142.2 Ų142.271%0.70873%0.731SS**  trans-85.1102169.932.1-28.7000110.2E18 H22E18-P20 VanDerWaalsContact O-CD 3.29Å; E18-P20 WeakPolarHBondContact O-CD 3.5Å; P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.06Å
21E48.7Very low49.8Very low183 Ų183141 Ų14186%0.85573%0.728SS**  trans-67.185.4169.9-72.3-168.9148.800111.2V19V19-E21 PolarHBondContact O-N 3.39Å
22H44.6Very low49.3Very low147 Ų147142.1 Ų142.168%0.68173%0.726SS**  trans-145.1119.5177.2-100.4-60.5000114.7P20P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.06Å
23N50.6Low48.9Very low121 Ų121142.5 Ų142.565%0.64772%0.723SS**  trans9013.7140.1-50.8-25.7000122.2E25N23-E25 PolarHBondContact O-N 3.19Å
24N50.2Low48.1Very low136 Ų136143.5 Ų143.573%0.72772%0.724SS**THydrogen-bonded Turntrans-76.4-2.5-179.5-86.5-2.8000117.6
25E46.7Very low47.3Very low165 Ų165139.6 Ų139.677%0.77171%0.713SS**THydrogen-bonded Turntrans-85.1-8.4-179.5-66-166.5153.100115.1N23N23-E25 PolarHBondContact O-N 3.19Å
26F44.2Very low46.2Very low166 Ų166140.1 Ų140.173%0.72871%0.71SS**THydrogen-bonded Turntrans-97.8-15.8-177.3-84.4-83.9000115.3
27E46.2Very low45.7Very low134 Ų134136.7 Ų136.763%0.62670%0.697SS**THydrogen-bonded Turntrans-85.6-34.5178.4-68.6-160.4129.900113.2L29 K30 V31E27-L29 PolarHBondContact O-N 3.48Å; E27-K30 PolarHBondContact O-N 3.34Å; E27-V31 PolarHBondContact O-N 2.86Å
28T47.7Very low45.1Very low93 Ų93135.9 Ų135.957%0.57170%0.699SS**Hα-helixtrans-60.8-27.2174.2410000113
29L42Very low45Very low101 Ų101135.6 Ų135.653%0.52970%0.698SS.*Hα-helixtrans-80-19.2173.4-71.7173.6000114.3E27 Q33E27-L29 PolarHBondContact O-N 3.48Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å
30K47.2Very low44.3Very low148 Ų148137.7 Ų137.764%0.64370%0.699SS**Hα-helixtrans-78.2-40.1172.3-84.7-178.6174.1175.30111.9E27 L32 Q33E27-K30 PolarHBondContact O-N 3.34Å; K30-L32 PolarHBondContact O-N 3.2Å; K30-Q33 PolarHBondContact O-N 3.1Å; K30-Q33 VanDerWaalsContact O-N 3.14Å
31V43.8Very low43.7Very low114 Ų114138.2 Ų138.269%0.69170%0.695SS**Hα-helixtrans-64.4-27-179.6179.80000112.2E27E27-V31 PolarHBondContact O-N 2.86Å
32L39.5Very low43.3Very low124 Ų124135.2 Ų135.265%0.64968%0.684SS**THydrogen-bonded Turntrans-84.9-5.6176.4-92161.6000115.3K30K30-L32 PolarHBondContact O-N 3.2Å
33Q43Very low43.1Very low158 Ų158133.3 Ų133.374%0.73868%0.684SS**THydrogen-bonded Turntrans-95.81.2-177.9-77.2-177.721.900114.4L29 K30L29-Q33 WeakPolarHBondContact O-CG 3.43Å; K30-Q33 PolarHBondContact O-N 3.1Å; K30-Q33 VanDerWaalsContact O-N 3.14Å
34Q41Very low42.6Very low171 Ų171137 Ų13780%0.79970%0.698SS**SBendtrans-11110.7-163.3-139.8163.20.600115.5
35T37.8Very low42.2Very low109 Ų109136.9 Ų136.967%0.66969%0.691SS**  trans-13225.1-172.235.40000115.3
36F34.9Very low41.9Very low146 Ų146132.8 Ų132.864%0.6468%0.68SS**  trans-115.894.8172-71.5-67.9000112.4L41F36-L41 HydrophobicContact CD1-CD1 3.41Å; F36-L41 VanDerWaalsContact CD1-CD1 3.41Å; F36-L41 HydrophobicContact CD1-CG 4.29Å; F36-L41 HydrophobicContact CE1-CD1 3.69Å; F36-L41 HydrophobicContact CG-CD1 4.23Å
37T41Very low42Very low92 Ų92129.3 Ų129.356%0.56468%0.677SS**  trans-66.2137.8164.339.50000109.9E39T37-E39 PolarHBondContact O-N 2.96Å
38P43.9Very low41.9Very low124 Ų124131.1 Ų131.181%0.80568%0.683SS**THydrogen-bonded Turntrans-70.1-6.8-168.3-22.635000116.8
39E45.9Very low41.6Very low181 Ų181131.4 Ų131.485%0.84668%0.677SS**THydrogen-bonded Turntrans-95.8-18.2-170-71-176.2118.900114.7T37T37-E39 PolarHBondContact O-N 2.96Å
40E39.5Very low41.6Very low169 Ų169134.3 Ų134.379%0.7969%0.686SS**SBendtrans-96.9-5.5-168-136.4171.9-178.800115
41L39.8Very low41.6Very low120 Ų120136.9 Ų136.963%0.62869%0.691SS**  trans-110.130.2-174.3-80.3-179.2000115.2F36 P43F36-L41 HydrophobicContact CD1-CD1 3.41Å; F36-L41 VanDerWaalsContact CD1-CD1 3.41Å; F36-L41 HydrophobicContact CD1-CG 4.29Å; F36-L41 HydrophobicContact CE1-CD1 3.69Å; F36-L41 HydrophobicContact CG-CD1 4.23Å; L41-P43 WeakPolarHBondContact O-CD 3.18Å
42I40.7Very low41.4Very low121 Ų121137.8 Ų137.862%0.62168%0.683SS**  trans-96.593171.3-53.7-179000109.8Q44I42-Q44 PolarHBondContact O-N 3.2Å
43P39.2Very low41.6Very low106 Ų106135.7 Ų135.769%0.68867%0.672SS**  trans-59.5126.5168.725.7-33.8000108.6L41 K45L41-P43 WeakPolarHBondContact O-CD 3.18Å; P43-K45 WeakPolarHBondContact O-CG 3.5Å; P43-K45 PolarHBondContact O-N 3.16Å
44Q41.1Very low41.6Very low198 Ų198133.2 Ų133.293%0.92566%0.663SS**  trans-53.596-170.5-159-177.839.100110.9I42 S46I42-Q44 PolarHBondContact O-N 3.2Å; Q44-S46 PolarHBondContact O-N 3.19Å; Q44-S46 VanDerWaalsContact O-N 3.11Å
45K41.1Very low41.8Very low135 Ų135130.2 Ų130.259%0.58765%0.645SS**  trans-63118.9-166.3-69-177-178172.50110.4P43 H49P43-K45 WeakPolarHBondContact O-CG 3.5Å; P43-K45 PolarHBondContact O-N 3.16Å; K45-H49 HydrophobicContact CB-CB 4.2Å
46S40.1Very low42.3Very low78 Ų78129.2 Ų129.255%0.54564%0.635SS.*  trans-48.6147.5-179.2700000112.4Q44 K48 H49Q44-S46 PolarHBondContact O-N 3.19Å; Q44-S46 VanDerWaalsContact O-N 3.11Å; S46-K48 PolarHBondContact O-N 3.34Å; S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 3.28Å
47S47.4Very low42.6Very low94 Ų94126.3 Ų126.366%0.65763%0.632SS**Hα-helixtrans-55.6-19.3-17361.20000115H49S47-H49 VanDerWaalsContact C-N 3.34Å
48K43.9Very low42.8Very low172 Ų172127.7 Ų127.775%0.74864%0.635SS**Hα-helixtrans-65.2-34.2172.3-62.5179.9-177.41760112.4S46 R51S46-K48 PolarHBondContact O-N 3.34Å; K48-R51 PolarHBondContact O-N 2.85Å
49H40.1Very low42.6Very low99 Ų99125 Ų12546%0.45862%0.618SS.*Hα-helixtrans-73.7-35.2-176.5-133.7-52.9000113.1K45 S46 S47 R51 Y52 I53K45-H49 HydrophobicContact CB-CB 4.2Å; S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 3.28Å; S47-H49 VanDerWaalsContact C-N 3.34Å; H49-R51 VanDerWaalsContact C-N 3.3Å; H49-R51 PolarHBondContact O-N 2.99Å; H49-Y52 PolarHBondContact O-N 3.41Å; H49-I53 PolarHBondContact O-N 2.84Å
50K41.5Very low42.4Very low162 Ų162120.7 Ų120.770%0.70460%0.602SS**Hα-helixtrans-60-36.9174.1-93.8-173.9173.4-179.70112.4Y52 N54K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.2Å; K50-N54 PolarHBondContact O-N 3.36Å
51R48Very low42.7Very low201 Ų201117 Ų11776%0.75861%0.609SS**Hα-helixtrans-66.7-32.9178.6-64.4-173.1-172.7179.62.9113K48 H49 W55K48-R51 PolarHBondContact O-N 2.85Å; H49-R51 VanDerWaalsContact C-N 3.3Å; H49-R51 PolarHBondContact O-N 2.99Å; R51-W55 PolarHBondContact O-N 3.43Å
52Y40Very low42.9Very low134 Ų134116.6 Ų116.653%0.52561%0.612SS.*Hα-helixtrans-78.7-39.3-176.4-141.4-86.3000112.2H49 K50 W55 I56H49-Y52 PolarHBondContact O-N 3.41Å; K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.2Å; Y52-W55 HydrophobicContact CE1-CE3 4.47Å; Y52-W55 WeakPolarHBondContact O-CB 3.34Å; Y52-W55 PolarHBondContact O-N 2.86Å; Y52-W55 VanDerWaalsContact O-N 3.15Å; Y52-I56 HydrophobicContact CD1-CD1 3.85Å; Y52-I56 HydrophobicContact CD1-CG1 4.33Å; Y52-I56 HydrophobicContact CE1-CD1 4.13Å; Y52-I56 PolarHBondContact O-N 2.9Å; Y52-I56 VanDerWaalsContact O-N 3.08Å
53I42.5Very low43.5Very low79 Ų79112.4 Ų112.441%0.40559%0.59SS.*Hα-helixtrans-63.2-47.5176.4-64.4168.9000110.2H49 W55 I56 C57H49-I53 PolarHBondContact O-N 2.84Å; I53-W55 PolarHBondContact O-N 3.21Å; I53-I56 PolarHBondContact O-N 2.7Å; I53-I56 VanDerWaalsContact O-N 3.16Å; I53-C57 PolarHBondContact O-N 3.01Å; I53-C57 PolarHBondContact O-SG 2.95Å; I53-C57 VanDerWaalsContact O-SG 3.38Å
54N43.4Very low44.2Very low106 Ų106112.4 Ų112.457%0.56758%0.584SS**Hα-helixtrans-62.1-24.5175.1-7416000113.4K50 N58K50-N54 PolarHBondContact O-N 3.36Å; N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 2.97Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 2.85Å
55W46.4Very low45Very low108 Ų108110.9 Ų110.941%0.40957%0.574SS.*Hα-helixtrans-77.6-37.7176-168.758000112.2R51 Y52 I53 C59R51-W55 PolarHBondContact O-N 3.43Å; Y52-W55 HydrophobicContact CE1-CE3 4.47Å; Y52-W55 WeakPolarHBondContact O-CB 3.34Å; Y52-W55 PolarHBondContact O-N 2.86Å; Y52-W55 VanDerWaalsContact O-N 3.15Å; I53-W55 PolarHBondContact O-N 3.21Å; W55-C59 PolarHBondContact O-SG 2.65Å
56I47.2Very low45.8Very low89 Ų89109.3 Ų109.346%0.45657%0.569SS.*Hα-helixtrans-68.6-47.4174.1-66170000110.5Y52 I53 N58 C59Y52-I56 HydrophobicContact CD1-CD1 3.85Å; Y52-I56 HydrophobicContact CD1-CG1 4.33Å; Y52-I56 HydrophobicContact CE1-CD1 4.13Å; Y52-I56 PolarHBondContact O-N 2.9Å; Y52-I56 VanDerWaalsContact O-N 3.08Å; I53-I56 PolarHBondContact O-N 2.7Å; I53-I56 VanDerWaalsContact O-N 3.16Å; I56-N58 VanDerWaalsContact C-N 3.28Å; I56-N58 PolarHBondContact O-N 3.19Å; I56-C59 WeakPolarHBondContact O-CB 3.48Å; I56-C59 PolarHBondContact O-N 3.47Å; I56-C59 VanDerWaalsContact O-N 3.08Å
57C42.7Very low46.5Very low85 Ų85111.8 Ų111.857%0.57457%0.567SS**Hα-helixtrans-66.6-27.3-178.7-61.70000113.4I53 C59I53-C57 PolarHBondContact O-N 3.01Å; I53-C57 PolarHBondContact O-SG 2.95Å; I53-C57 VanDerWaalsContact O-SG 3.38Å; C57-C59 VanDerWaalsContact C-N 3.26Å; C57-C59 PolarHBondContact O-N 3.23Å
58N44.3Very low47Very low120 Ų120110.1 Ų110.164%0.64255%0.55SS*.THydrogen-bonded Turntrans-85.67.8175.5-70-7000113.5N54 I56 D60N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 2.97Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 2.85Å; I56-N58 VanDerWaalsContact C-N 3.28Å; I56-N58 PolarHBondContact O-N 3.19Å; N58-D60 VanDerWaalsContact C-N 3.28Å; N58-D60 PolarHBondContact O-N 2.74Å; N58-D60 VanDerWaalsContact O-N 3.13Å
59C40.5Very low47.9Very low67 Ų67108.2 Ų108.245%0.45354%0.541SS..  trans-84.768.1173.5-75.20000111.8W55 I56 C57 G61 I63W55-C59 PolarHBondContact O-SG 2.65Å; I56-C59 WeakPolarHBondContact O-CB 3.48Å; I56-C59 PolarHBondContact O-N 3.47Å; I56-C59 VanDerWaalsContact O-N 3.08Å; C57-C59 VanDerWaalsContact C-N 3.26Å; C57-C59 PolarHBondContact O-N 3.23Å; C59-G61 PolarHBondContact O-N 2.88Å; C59-I63 HydrophobicContact CB-CD1 4.43Å
60D40.4Very low48.7Very low92 Ų92110.6 Ų110.649%0.49255%0.546SS..  trans-44.5136.6169.2-70-44000111N58 T62 I63N58-D60 VanDerWaalsContact C-N 3.28Å; N58-D60 PolarHBondContact O-N 2.74Å; N58-D60 VanDerWaalsContact O-N 3.13Å; D60-T62 PolarHBondContact O-N 3.01Å; D60-I63 HydrophobicContact CB-CG1 4.33Å; D60-I63 WeakPolarHBondContact O-CB 3.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.24Å; D60-I63 PolarHBondContact O-N 3.01Å
61G46.2Very low49.5Very low91 Ų91106.8 Ų106.894%0.93853%0.531SS*.THydrogen-bonded Turntrans-59.6-2.4174.100000115C59C59-G61 PolarHBondContact O-N 2.88Å
62T45.1Very low50Low112 Ų112100.2 Ų100.269%0.68751%0.51SS*.THydrogen-bonded Turntrans-95.1-0.317468.10000113.7D60 N64D60-T62 PolarHBondContact O-N 3.01Å; T62-N64 PolarHBondContact O-N 3.19Å
63I51.7Low50.7Low33 Ų3399.2 Ų99.217%0.16951%0.514CS..  trans-63.694.6179.6-75-167.2000110.5C59 D60 R67 I68C59-I63 HydrophobicContact CB-CD1 4.43Å; D60-I63 HydrophobicContact CB-CG1 4.33Å; D60-I63 WeakPolarHBondContact O-CB 3.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.24Å; D60-I63 PolarHBondContact O-N 3.01Å; I63-R67 HydrophobicContact CG2-CB 4.34Å; I63-I68 HydrophobicContact CG2-CD1 3.87Å; I63-I68 HydrophobicContact CG2-CG1 3.22Å
64N54.1Low51.2Low105 Ų105105.6 Ų105.656%0.56153%0.533SS*.  trans-56.5142.8174-173.5-14.9000109.9T62 E66 R67 I68T62-N64 PolarHBondContact O-N 3.19Å; N64-E66 PolarHBondContact O-N 3Å; N64-R67 WeakPolarHBondContact O-CA 3.34Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.23Å; N64-I68 PolarHBondContact O-N 3.47Å
65K59.1Low51.3Low166 Ų166103 Ų10372%0.72252%0.523SS*.Hα-helixtrans-50.8-30.5179.6-69.1179.1178174.40112.8K69K65-K69 WeakPolarHBondContact O-CB 3.36Å; K65-K69 PolarHBondContact O-N 3.31Å; K65-K69 VanDerWaalsContact O-N 3.13Å
66E56.3Low51.3Low102 Ų102108 Ų10848%0.47755%0.548SS..Hα-helixtrans-64.2-38.1171.1-96.2-150.4104.100114.6N64 K69 R70N64-E66 PolarHBondContact O-N 3Å; E66-K69 PolarHBondContact O-N 3.03Å; E66-R70 VanDerWaalsContact CD-NH2 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.32Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 IonicContact OE1-CZ 2.79Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 3.22Å; E66-R70 IonicContact OE1-NH2 2.7Å; E66-R70 PolarHBondContact OE1-NH2 2.99Å; E66-R70 IonicContact OE2-NH2 3.23Å; E66-R70 PolarHBondContact OE2-NH2 2.9Å
67R55.4Low51.3Low131 Ų131108 Ų10849%0.49455%0.552SS.*Hα-helixtrans-70.9-41.6-177.6-162.8177.6-172.4-169.11.2110.6I63 N64 R70 Q71I63-R67 HydrophobicContact CG2-CB 4.34Å; N64-R67 WeakPolarHBondContact O-CA 3.34Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.23Å; R67-R70 PolarHBondContact O-N 3.12Å; R67-Q71 WeakPolarHBondContact O-CG 3.14Å; R67-Q71 PolarHBondContact O-N 3.24Å
68I59Low51.4Low59 Ų59110.6 Ų110.630%0.30357%0.566SS.*Hα-helixtrans-57.2-52.3169.2-52.4-176.9000109.9I63 N64 R70 Q71 L72I63-I68 HydrophobicContact CG2-CD1 3.87Å; I63-I68 HydrophobicContact CG2-CG1 3.22Å; N64-I68 PolarHBondContact O-N 3.47Å; I68-R70 VanDerWaalsContact C-N 3.28Å; I68-R70 PolarHBondContact O-N 3.01Å; I68-Q71 PolarHBondContact O-N 3.37Å; I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 PolarHBondContact O-N 3.47Å
69K60.9Low51.4Low131 Ų131108.5 Ų108.557%0.5756%0.557SS**Hα-helixtrans-60.6-36.4-178.7-170.5167.6-174166.80112.7K65 E66 N73K65-K69 WeakPolarHBondContact O-CB 3.36Å; K65-K69 PolarHBondContact O-N 3.31Å; K65-K69 VanDerWaalsContact O-N 3.13Å; E66-K69 PolarHBondContact O-N 3.03Å; K69-N73 WeakPolarHBondContact O-CB 3.48Å; K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.32Å
70R58.5Low51.6Low149 Ų149110.6 Ų110.656%0.56256%0.56SS**Hα-helixtrans-73.5-29.3174.9-71.6173-166.7-169.28113.1E66 R67 I68 R74E66-R70 VanDerWaalsContact CD-NH2 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.32Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 IonicContact OE1-CZ 2.79Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 3.22Å; E66-R70 IonicContact OE1-NH2 2.7Å; E66-R70 PolarHBondContact OE1-NH2 2.99Å; E66-R70 IonicContact OE2-NH2 3.23Å; E66-R70 PolarHBondContact OE2-NH2 2.9Å; R67-R70 PolarHBondContact O-N 3.12Å; I68-R70 VanDerWaalsContact C-N 3.28Å; I68-R70 PolarHBondContact O-N 3.01Å; R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 3.06Å
71Q57.5Low51.8Low82 Ų82112.9 Ų112.938%0.38357%0.568SS.*Hα-helixtrans-75.6-47.6174-76.8-174.4-4.300111.6R67 I68 N73 R74 S75R67-Q71 WeakPolarHBondContact O-CG 3.14Å; R67-Q71 PolarHBondContact O-N 3.24Å; I68-Q71 PolarHBondContact O-N 3.37Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.43Å; Q71-R74 WeakPolarHBondContact O-CA 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.93Å; Q71-S75 PolarHBondContact O-N 2.79Å; Q71-S75 PolarHBondContact O-OG 2.81Å
72L57.9Low52Low63 Ų63115.6 Ų115.633%0.3356%0.556SS.*Hα-helixtrans-59.2-39.7174.4-70.1173.7000112.1I68 R74 S75I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 PolarHBondContact O-N 3.47Å; L72-R74 PolarHBondContact O-N 2.84Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.34Å
73N54.9Low52.3Low114 Ų114114.4 Ų114.461%0.6155%0.548SS*.THydrogen-bonded Turntrans-72.5-10174.2-72-4.8000114.2K69 Q71K69-N73 WeakPolarHBondContact O-CB 3.48Å; K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.32Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.43Å
74R53.6Low52.4Low213 Ų213114.3 Ų114.380%0.80455%0.55SS**THydrogen-bonded Turntrans-100.5-28.1177.2-87.3178.5165.7177.9-5.8112.7R70 Q71 L72 K76R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 3.06Å; Q71-R74 WeakPolarHBondContact O-CA 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.93Å; L72-R74 PolarHBondContact O-N 2.84Å; R74-K76 PolarHBondContact O-N 3.23Å; R74-K76 VanDerWaalsContact O-N 3.14Å
75S45.9Very low52.5Low51 Ų51116.8 Ų116.836%0.35755%0.553SS.*  trans-66.3109.8169.349.60000109.3Q71 L72 T77Q71-S75 PolarHBondContact O-N 2.79Å; Q71-S75 PolarHBondContact O-OG 2.81Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.34Å; S75-T77 WeakPolarHBondContact CB-OG1 3.37Å; S75-T77 PolarHBondContact O-N 3.47Å
76K45.8Very low52.8Low214 Ų214112.2 Ų112.293%0.9354%0.54SS*.  trans-62.9-1.1173.1-70.7-174.6177.3-178.30113.8R74 T78R74-K76 PolarHBondContact O-N 3.23Å; R74-K76 VanDerWaalsContact O-N 3.14Å; K76-T78 PolarHBondContact O-N 3.06Å
77T46.8Very low53.4Low88 Ų88112.4 Ų112.454%0.5454%0.537SS..SBendtrans-72.6121.3171.452.80000109.2S75 V79S75-T77 WeakPolarHBondContact CB-OG1 3.37Å; S75-T77 PolarHBondContact O-N 3.47Å; T77-V79 PolarHBondContact O-N 3.33Å
78T45.3Very low54.2Low139 Ų139108.8 Ų108.885%0.85353%0.527SS*.  trans-70.255.8164.351.70000110.6K76 E80K76-T78 PolarHBondContact O-N 3.06Å; T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.34Å
79V44.9Very low54.7Low76 Ų76115 Ų11546%0.46155%0.546SS..  trans-64.9105.2160.8177.60000104.5T77 E81 C84T77-V79 PolarHBondContact O-N 3.33Å; V79-E81 PolarHBondContact O-N 3.16Å; V79-C84 HydrophobicContact CG1-CB 4.24Å; V79-C84 VanDerWaalsContact CG1-SG 3.51Å
80E43.5Very low55.3Low112 Ų112115.3 Ų115.352%0.52354%0.544SS..  trans-52129.2-170.5-59.5-176.8163.700110T78 H82 V83 C84T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.34Å; E80-H82 HydrophobicContact CB-CB 4.14Å; E80-H82 PolarHBondContact O-N 2.98Å; E80-V83 HydrophobicContact CB-CB 4.29Å; E80-V83 HydrophobicContact CB-CG2 3.99Å; E80-V83 HydrophobicContact CG-CG2 4.48Å; E80-V83 PolarHBondContact O-N 3.2Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.29Å; E80-C84 PolarHBondContact O-N 2.83Å
81E45Very low56.1Low139 Ų139110.2 Ų110.265%0.6553%0.528SS*.Hα-helixtrans-54.9-22168-73.2-170.112600110.3V79 Y85V79-E81 PolarHBondContact O-N 3.16Å; E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 2.9Å
82H50.3Low56.9Low148 Ų148110.8 Ų110.869%0.68553%0.529SS*.Hα-helixtrans-74.2-21.9174.9-46.5-52.3000115E80 P86E80-H82 HydrophobicContact CB-CB 4.14Å; E80-H82 PolarHBondContact O-N 2.98Å; H82-P86 WeakPolarHBondContact O-CD 3.31Å; H82-P86 WeakPolarHBondContact O-CG 3.19Å
83V51.2Low57.5Low88 Ų88113.7 Ų113.753%0.53354%0.54SS..Hα-helixtrans-97.9-54.3-179.6172.90000110.9E80E80-V83 HydrophobicContact CB-CB 4.29Å; E80-V83 HydrophobicContact CB-CG2 3.99Å; E80-V83 HydrophobicContact CG-CG2 4.48Å; E80-V83 PolarHBondContact O-N 3.2Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.29Å
84C54.8Low58.4Low31 Ų31111.6 Ų111.621%0.20953%0.526CS..Hα-helixtrans-70.6-40-177.7-91.50000112.8V79 E80 W87 L88V79-C84 HydrophobicContact CG1-CB 4.24Å; V79-C84 VanDerWaalsContact CG1-SG 3.51Å; E80-C84 PolarHBondContact O-N 2.83Å; C84-W87 PolarHBondContact O-N 3.08Å; C84-L88 HydrophobicContact CB-CD1 4.26Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 WeakPolarHBondContact O-CD1 3.39Å; C84-L88 PolarHBondContact O-N 2.96Å
85Y56.4Low59.5Low156 Ų156103.6 Ų103.661%0.61250%0.499SS*.Hα-helixtrans-71.7-40.3-169.7-147-97.9000113.7E81 R89E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 2.9Å; Y85-R89 WeakPolarHBondContact O-CB 3.37Å; Y85-R89 PolarHBondContact O-N 2.93Å
86P64.7Low60.8Low71 Ų71101.8 Ų101.846%0.46149%0.486SS..Hα-helixtrans-67.3-40.4173-24.638.3000112.9H82 R89 R90H82-P86 WeakPolarHBondContact O-CD 3.31Å; H82-P86 WeakPolarHBondContact O-CG 3.19Å; P86-R89 PolarHBondContact O-N 2.82Å; P86-R90 WeakPolarHBondContact O-CB 3.31Å; P86-R90 PolarHBondContact O-N 3.18Å
87W69.4Low61.8Low105 Ų10596.2 Ų96.240%0.39847%0.467SS..Hα-helixtrans-63.2-50.8177.1176.481.6000111.8C84 R89 R90 L91 W511C84-W87 PolarHBondContact O-N 3.08Å; W87-R89 VanDerWaalsContact C-N 3.29Å; W87-R89 PolarHBondContact O-N 3.08Å; W87-R90 PolarHBondContact O-N 3.04Å; W87-L91 HydrophobicContact CH2-CD2 3.87Å; W87-L91 HydrophobicContact CZ2-CD2 4.05Å; W87-L91 HydrophobicContact CZ3-CD2 4.33Å; W87-L91 WeakPolarHBondContact O-CB 3.49Å; W87-L91 PolarHBondContact O-N 2.92Å; W87-W511 AromaticContact NE1-CH2 3.65Å; W87-W511 AromaticContact NE1-CZ3 3.95Å
88L72.2Confident62.9Low56 Ų5697.4 Ų97.429%0.29346%0.462SS..Hα-helixtrans-58.8-40.4174.2-94.8126.3000111.6C84 L91 F92C84-L88 HydrophobicContact CB-CD1 4.26Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 WeakPolarHBondContact O-CD1 3.39Å; C84-L88 PolarHBondContact O-N 2.96Å; L88-L91 PolarHBondContact O-N 2.8Å; L88-F92 HydrophobicContact CD2-CD2 4.37Å; L88-F92 HydrophobicContact CD2-CE2 4.1Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 WeakPolarHBondContact O-CD2 3.37Å; L88-F92 PolarHBondContact O-N 3.05Å
89R69.9Low64.1Low188 Ų18895.4 Ų95.471%0.70944%0.441SS*.Hα-helixtrans-65.6-39177.8-172.3175.4-173.9168.60.9112.3Y85 P86 W87 F93Y85-R89 WeakPolarHBondContact O-CB 3.37Å; Y85-R89 PolarHBondContact O-N 2.93Å; P86-R89 PolarHBondContact O-N 2.82Å; W87-R89 VanDerWaalsContact C-N 3.29Å; W87-R89 PolarHBondContact O-N 3.08Å; R89-F93 VanDerWaalsContact O-CB 3.32Å; R89-F93 WeakPolarHBondContact O-CB 3.38Å; R89-F93 PolarHBondContact O-N 2.97Å
90R72.5Confident64.8Low138 Ų13896.4 Ų96.452%0.52145%0.45SS..Hα-helixtrans-69.3-41.7176.6-168.1168.7-171.9168.93111.2P86 W87 F93 H94P86-R90 WeakPolarHBondContact O-CB 3.31Å; P86-R90 PolarHBondContact O-N 3.18Å; W87-R90 PolarHBondContact O-N 3.04Å; R90-F93 PolarHBondContact O-N 3.05Å; R90-H94 PolarHBondContact O-CD2 2.95Å; R90-H94 VanDerWaalsContact O-CD2 3.25Å; R90-H94 PolarHBondContact O-N 3.24Å
91L76.5Confident65.5Low43 Ų4397.1 Ų97.123%0.22546%0.457CS..Hα-helixtrans-61.4-49.8173.2-177.963.2000111.5W87 L88 F93 H94 L95W87-L91 HydrophobicContact CH2-CD2 3.87Å; W87-L91 HydrophobicContact CZ2-CD2 4.05Å; W87-L91 HydrophobicContact CZ3-CD2 4.33Å; W87-L91 WeakPolarHBondContact O-CB 3.49Å; W87-L91 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 2.8Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.27Å; L91-H94 PolarHBondContact O-N 2.77Å; L91-L95 HydrophobicContact CD1-CD1 3.93Å; L91-L95 HydrophobicContact CD1-CG 4.09Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.9Å
92F72.9Confident66.4Low93 Ų9393.2 Ų93.241%0.40844%0.44SS..Hα-helixtrans-60.1-36.3175.3-97.3-84.6000112.7L88 S96 L102L88-F92 HydrophobicContact CD2-CD2 4.37Å; L88-F92 HydrophobicContact CD2-CE2 4.1Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 WeakPolarHBondContact O-CD2 3.37Å; L88-F92 PolarHBondContact O-N 3.05Å; F92-S96 VanDerWaalsContact O-CB 3.27Å; F92-S96 WeakPolarHBondContact O-CB 3.37Å; F92-S96 PolarHBondContact O-N 3.4Å; F92-S96 PolarHBondContact O-OG 2.94Å; F92-S96 VanDerWaalsContact O-OG 3.08Å; F92-L102 HydrophobicContact CD1-CD2 3.87Å; F92-L102 HydrophobicContact CE1-CD2 4.24Å
93F71.6Confident66.6Low125 Ų12591.7 Ų91.755%0.54843%0.433SS..Hα-helixtrans-68.2-49.3176.7-176.4-99.3000111.9R89 R90 L91 S96 N97R89-F93 VanDerWaalsContact O-CB 3.32Å; R89-F93 WeakPolarHBondContact O-CB 3.38Å; R89-F93 PolarHBondContact O-N 2.97Å; R90-F93 PolarHBondContact O-N 3.05Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.27Å; F93-S96 WeakPolarHBondContact CA-OG 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 3.36Å; F93-N97 PolarHBondContact O-N 2.94Å; F93-N97 PolarHBondContact O-OD1 2.86Å
94H73.1Confident66.2Low70 Ų7091.7 Ų91.732%0.32443%0.434SS..Hα-helixtrans-60.5-49.8175.4-81.4-73.1000111.6R90 L91 S96 N97 Y98R90-H94 PolarHBondContact O-CD2 2.95Å; R90-H94 VanDerWaalsContact O-CD2 3.25Å; R90-H94 PolarHBondContact O-N 3.24Å; L91-H94 PolarHBondContact O-N 2.77Å; H94-S96 PolarHBondContact O-N 3.34Å; H94-N97 WeakPolarHBondContact O-CB 3.2Å; H94-N97 PolarHBondContact O-N 2.97Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å
95L76.2Confident65.8Low45 Ų4595.4 Ų95.424%0.23646%0.456CS..Hα-helixtrans-59.7-34.5177.5-68.9174.5000111.9L91 N97 Y98 F99 L102L91-L95 HydrophobicContact CD1-CD1 3.93Å; L91-L95 HydrophobicContact CD1-CG 4.09Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.9Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 3.35Å; L95-Y98 PolarHBondContact O-N 2.82Å; L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CD2-CD2 4.35Å; L95-F99 HydrophobicContact CD2-CE2 4.13Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 WeakPolarHBondContact O-CD2 2.87Å; L95-F99 PolarHBondContact O-N 3.34Å; L95-L102 HydrophobicContact CB-CD2 3.51Å
96S73.8Confident65.1Low13 Ų1398.9 Ų98.99%0.09147%0.468CS..Hα-helixtrans-70.4-18.3177.162.60000115.4F92 F93 H94 F99 H103F92-S96 VanDerWaalsContact O-CB 3.27Å; F92-S96 WeakPolarHBondContact O-CB 3.37Å; F92-S96 PolarHBondContact O-N 3.4Å; F92-S96 PolarHBondContact O-OG 2.94Å; F92-S96 VanDerWaalsContact O-OG 3.08Å; F93-S96 WeakPolarHBondContact CA-OG 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 3.36Å; H94-S96 PolarHBondContact O-N 3.34Å; S96-F99 CarbonylContact O-C 3.56Å; S96-H103 WeakPolarHBondContact CB-CD2 3.49Å; S96-H103 WeakPolarHBondContact CB-NE2 3.35Å; S96-H103 PolarHBondContact OG-NE2 2.98Å
97N67.8Low64Low97 Ų97100.6 Ų100.652%0.51948%0.479SS..Hα-helixtrans-77.8-30.8173.1-62.9-16.6000111.4F93 H94 L95F93-N97 PolarHBondContact O-N 2.94Å; F93-N97 PolarHBondContact O-OD1 2.86Å; H94-N97 WeakPolarHBondContact O-CB 3.2Å; H94-N97 PolarHBondContact O-N 2.97Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 3.35Å
98Y69.3Low62.7Low112 Ų112100.9 Ų100.944%0.43950%0.497SS..Hα-helixtrans-88.2-27.9175.3-59.8-70000112.9H94 L95 I504H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; L95-Y98 PolarHBondContact O-N 2.82Å; Y98-I504 HydrophobicContact CD1-CD1 4.35Å
99F69.6Low61.2Low97 Ų97108 Ų10843%0.42552%0.519SS..  trans-123.289178.4-57.7-74000109.5L95 S96 N101 L102L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CD2-CD2 4.35Å; L95-F99 HydrophobicContact CD2-CE2 4.13Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 WeakPolarHBondContact O-CD2 2.87Å; L95-F99 PolarHBondContact O-N 3.34Å; S96-F99 CarbonylContact O-C 3.56Å; F99-N101 PolarHBondContact O-N 2.95Å; F99-L102 HydrophobicContact CB-CB 4.07Å; F99-L102 HydrophobicContact CB-CD1 4.1Å; F99-L102 HydrophobicContact CD2-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.37Å; F99-L102 PolarHBondContact O-N 2.91Å
100P60.9Low59.7Low98 Ų98109.6 Ų109.664%0.63653%0.526SS*.G310 helixtrans-54.2-30.5179.3-27.235000113.2L102P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.22Å
101N56.7Low58Low126 Ų126112.6 Ų112.667%0.67454%0.538SS*.G310 helixtrans-80.8-1.9-179.6-62.5-26.7000114.3F99 H103 T104F99-N101 PolarHBondContact O-N 2.95Å; N101-H103 VanDerWaalsContact C-N 3.28Å; N101-H103 PolarHBondContact O-N 3.02Å; N101-T104 WeakPolarHBondContact CA-OG1 3.39Å; N101-T104 WeakPolarHBondContact CB-OG1 3.21Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact O-OG1 2.74Å
102L64Low56.2Low57 Ų57119.8 Ų119.830%0.29856%0.563SS.*G310 helixtrans-66.4-31-179.8-15185.8000112.5F92 L95 F99 P100F92-L102 HydrophobicContact CD1-CD2 3.87Å; F92-L102 HydrophobicContact CE1-CD2 4.24Å; L95-L102 HydrophobicContact CB-CD2 3.51Å; F99-L102 HydrophobicContact CB-CB 4.07Å; F99-L102 HydrophobicContact CB-CD1 4.1Å; F99-L102 HydrophobicContact CD2-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.37Å; F99-L102 PolarHBondContact O-N 2.91Å; P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.22Å
103H55.3Low54.5Low116 Ų116120.1 Ų120.154%0.53758%0.576SS.*SBendtrans-83.8-18.4171.9-68.4-51.3000112.8S96 N101 T105S96-H103 WeakPolarHBondContact CB-CD2 3.49Å; S96-H103 WeakPolarHBondContact CB-NE2 3.35Å; S96-H103 PolarHBondContact OG-NE2 2.98Å; N101-H103 VanDerWaalsContact C-N 3.28Å; N101-H103 PolarHBondContact O-N 3.02Å; H103-T105 PolarHBondContact O-N 2.75Å
104T43.8Very low53Low88 Ų88120.2 Ų120.254%0.5458%0.578SS.*  trans-84.450.1179.169.90000111.9N101 R106N101-T104 WeakPolarHBondContact CA-OG1 3.39Å; N101-T104 WeakPolarHBondContact CB-OG1 3.21Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact O-OG1 2.74Å; T104-R106 PolarHBondContact O-N 2.78Å
105T45.3Very low51.4Low110 Ų110123.3 Ų123.368%0.67560%0.602SS**  trans-66.783.2149.540.10000106.9H103H103-T105 PolarHBondContact O-N 2.75Å
106R42.8Very low49.7Very low229 Ų229125 Ų12586%0.86462%0.618SS**  trans-41.4114.2175.2-171.6-177.9-165.3-1796.7105.9T104 S108T104-R106 PolarHBondContact O-N 2.78Å; R106-S108 PolarHBondContact O-N 2.89Å
107P39.8Very low48.1Very low106 Ų106129.8 Ų129.869%0.68865%0.647SS**  trans-56.5120.4-169.519.9-31.7000106.5R109P107-R109 PolarHBondContact O-N 3.13Å
108S43.7Very low46.6Very low111 Ų111130.7 Ų130.778%0.77666%0.658SS**  trans-69.975.4177.7-1710000107.7R106 R110R106-S108 PolarHBondContact O-N 2.89Å; S108-R110 PolarHBondContact O-N 3.4Å
109R40Very low45.2Very low205 Ų205130.9 Ų130.977%0.77467%0.671SS**  trans-56.387.3143.3-74.1-173.7177.6-175.61104.2P107 Y111P107-R109 PolarHBondContact O-N 3.13Å; R109-Y111 PolarHBondContact O-N 2.9Å
110R38.1Very low43.8Very low222 Ų222132.1 Ų132.184%0.83869%0.686SS**  trans-43.4106.9135.6-70.6-174.3-178.2-171.4-0.9104S108 R112S108-R110 PolarHBondContact O-N 3.4Å; R110-R112 PolarHBondContact O-N 3.23Å
111Y37.3Very low42.6Very low202 Ų202133.8 Ų133.879%0.79270%0.695SS**  trans-58.994164.1-98.5-92.8000104.3R109 S113R109-Y111 PolarHBondContact O-N 2.9Å; Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 2.7Å
112R38.1Very low41.7Very low194 Ų194134.8 Ų134.873%0.73270%0.699SS**  trans-60.2109.8160.9-175.7177-168.5-1644.5102.9R110 H114R110-R112 PolarHBondContact O-N 3.23Å; R112-H114 PolarHBondContact O-CD2 3.48Å; R112-H114 PolarHBondContact O-N 3.3Å
113S37.3Very low40.4Very low100 Ų100138.3 Ų138.370%0.69972%0.718SS**  trans-60.887.9-178.4-48.20000108.4Y111 T115Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 2.7Å; S113-T115 PolarHBondContact O-N 2.88Å
114H40.5Very low39.6Very low126 Ų126143.1 Ų143.158%0.58373%0.732SS**  trans-7771.9170.9-80.7-79000107R112 S116R112-H114 PolarHBondContact O-CD2 3.48Å; R112-H114 PolarHBondContact O-N 3.3Å; H114-S116 PolarHBondContact O-N 3.05Å
115T38.6Very low39.3Very low136 Ų136151 Ų15183%0.83475%0.751SS**  trans-70.660.6156.753.60000108.3S113S113-T115 PolarHBondContact O-N 2.88Å
116S40.9Very low39.1Very low79 Ų79154.3 Ų154.355%0.55276%0.759SS**  trans-121.690168.552.60000104.9H114H114-S116 PolarHBondContact O-N 3.05Å
117T39.8Very low39Very low114 Ų114155.1 Ų155.170%0.69976%0.763SS**  trans-47.5136177.237.40000110.9T119T117-T119 PolarHBondContact O-N 2.95Å
118P38Very low39.1Very low117 Ų117154.8 Ų154.876%0.7676%0.762SS**  trans-68.799.3167.728.8-31.6000107.8T120P118-T120 PolarHBondContact O-N 3.24Å
119T39.1Very low38.8Very low115 Ų115156.8 Ų156.871%0.70677%0.765SS**  trans-72.975.3175.642.60000110.6T117 V121T117-T119 PolarHBondContact O-N 2.95Å; T119-V121 PolarHBondContact O-N 3.13Å
120T40.4Very low38.8Very low123 Ų123154.4 Ų154.476%0.75577%0.766SS**  trans-68.287.1156.747.10000108.2P118 L122P118-T120 PolarHBondContact O-N 3.24Å; T120-L122 PolarHBondContact O-N 2.62Å
121V35.4Very low38.8Very low134 Ų134150.1 Ų150.181%0.81277%0.767SS**  trans-76.474173.6-173.10000108.8T119T119-V121 PolarHBondContact O-N 3.13Å
122L37.7Very low39.1Very low147 Ų147145.4 Ų145.477%0.7776%0.759SS**  trans-123.577.5168.9-106.6173.4000108.1T120T120-L122 PolarHBondContact O-N 2.62Å
123N37.4Very low39Very low130 Ų130143 Ų14370%0.69576%0.761SS**SBend-178.7139126.1-102.3-62.7000114.1
124R37.4Very low39.3Very low217 Ų217146.2 Ų146.282%0.81976%0.762SS**  trans22.7105.4142.8-64.8174.7176.1-174.3-1.9117.4Q126R124-Q126 PolarHBondContact O-N 3.25Å; R124-Q126 VanDerWaalsContact O-N 3.09Å
125R37Very low39.1Very low253 Ų253147.6 Ų147.696%0.95577%0.774SS**  trans-61.3104.5140.2-84-177.3168.3-178.4-4.3108.3
126Q42Very low39.2Very low181 Ų181147.8 Ų147.885%0.84677%0.769SS**  trans-67.2128.9160.6-75.2176.3-48.400108.9R124R124-Q126 PolarHBondContact O-N 3.25Å; R124-Q126 VanDerWaalsContact O-N 3.09Å
127R39.8Very low39Very low246 Ų246148.5 Ų148.593%0.92877%0.774SS**  trans-86.4112.9153.4-83.3-178.8166-173.5-3.9107.2
128S41.8Very low38.7Very low98 Ų98147.9 Ų147.969%0.68577%0.774SS**  trans169.9113.1137.954.50000110.4
129N38.5Very low38.5Very low154 Ų154152.2 Ų152.282%0.82478%0.776SS**  trans28.3101.5137.9-48.7-10.9000117.3
130L39.9Very low38.3Very low154 Ų154151.6 Ų151.681%0.80677%0.772SS**  trans-166.1120.2137.5-130.275.3000110.2V132L130-V132 HydrophobicContact CD2-CG2 4.16Å
131P38.2Very low38Very low132 Ų132154.4 Ų154.486%0.85777%0.771SS**  trans-92.5104.3172.433.2-27.5000109.9
132V42.7Very low38.2Very low104 Ų104156.9 Ų156.963%0.6377%0.77SS**  trans-128.196172.1-174.90000110.7L130 K134L130-V132 HydrophobicContact CD2-CG2 4.16Å; V132-K134 HydrophobicContact CG1-CG 4.22Å; V132-K134 PolarHBondContact O-N 3.31Å
133N36Very low37.9Very low143 Ų143154.1 Ų154.177%0.76576%0.763SS**  trans-59.9116.5162.8172.210.6000110.1
134K43.9Very low38.1Very low167 Ų167153.7 Ų153.773%0.72677%0.768SS**  trans-142.2109.5159.3-74.4-166.6179.3-178.80111.3V132 I136V132-K134 HydrophobicContact CG1-CG 4.22Å; V132-K134 PolarHBondContact O-N 3.31Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.89Å
135N37.2Very low37.9Very low155 Ų155149.5 Ų149.583%0.82977%0.767SS**  trans-57.3124.5156-71.4-34.2000109.1
136I39.8Very low37.8Very low141 Ų141143.6 Ų143.672%0.72375%0.753SS**  trans-12586.2169.1-60.5-177.8000107.9K134K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.89Å
137S37.7Very low37.6Very low94 Ų94139.6 Ų139.666%0.65775%0.745SS**  trans31.7113.1132.561.50000118.7Y139S137-Y139 PolarHBondContact O-N 2.9Å
138S33.1Very low37.5Very low100 Ų100137.7 Ų137.770%0.69974%0.739SS**  trans-7.8116.9146.254.20000117.2T140S138-T140 PolarHBondContact O-N 3.18Å
139Y33.5Very low37.5Very low209 Ų209142.4 Ų142.482%0.8275%0.747SS**  trans-89.780.4157.7-158.5-103.7000109.5S137 Y141S137-Y139 PolarHBondContact O-N 2.9Å; Y139-Y141 AromaticContact CE1-CD2 3.95Å; Y139-Y141 HydrophobicContact CE1-CD2 3.95Å; Y139-Y141 PolarHBondContact O-N 3.44Å
140T36Very low37.4Very low101 Ų101143.6 Ų143.662%0.6275%0.747SS**  trans-77.1105.2175.1-39.80000108.5S138 K142S138-T140 PolarHBondContact O-N 3.18Å; T140-K142 VanDerWaalsContact C-N 3.29Å; T140-K142 PolarHBondContact O-N 3.32Å
141Y32.4Very low37.3Very low183 Ų183142.8 Ų142.872%0.71874%0.744SS**  trans-71.785.4176-155.6-88.1000109.9Y139 S143Y139-Y141 AromaticContact CE1-CD2 3.95Å; Y139-Y141 HydrophobicContact CE1-CD2 3.95Å; Y139-Y141 PolarHBondContact O-N 3.44Å; Y141-S143 PolarHBondContact O-N 2.97Å
142K40.5Very low37.4Very low185 Ų185143.7 Ų143.780%0.80474%0.742SS**  trans-72.8104.2170.1-73.4-170.2175.4-173.30108.7T140T140-K142 VanDerWaalsContact C-N 3.29Å; T140-K142 PolarHBondContact O-N 3.32Å
143S30.7Very low37Very low89 Ų89142 Ų14262%0.62275%0.745SS**  trans-55.5143.5163.9-60.40000109.9Y141 T145Y141-S143 PolarHBondContact O-N 2.97Å; S143-T145 PolarHBondContact O-N 2.86Å; S143-T145 VanDerWaalsContact O-N 3.16Å
144P41.4Very low37Very low122 Ų122143.9 Ų143.979%0.79275%0.749SS**  trans-60.4120.3-178.6-23.333.8000111.8I146P144-I146 PolarHBondContact O-N 3.18Å
145T34.5Very low36.5Very low129 Ų129143.7 Ų143.779%0.79175%0.751SS**  trans-66.3107.8164.739.40000109.1S143 S147S143-T145 PolarHBondContact O-N 2.86Å; S143-T145 VanDerWaalsContact O-N 3.16Å; T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.34Å
146I35.1Very low36.4Very low129 Ų129146.4 Ų146.466%0.66276%0.756SS**  trans-81.686.3157.9-54.3178.7000106.5P144 Y148P144-I146 PolarHBondContact O-N 3.18Å; I146-Y148 HydrophobicContact CB-CE2 4.46Å; I146-Y148 HydrophobicContact CG2-CD2 3.75Å; I146-Y148 HydrophobicContact CG2-CE1 4.4Å; I146-Y148 HydrophobicContact CG2-CE2 3.35Å; I146-Y148 HydrophobicContact CG2-CG 4.42Å; I146-Y148 PolarHBondContact O-N 2.97Å
147S37.6Very low36.1Very low97 Ų97144.7 Ų144.768%0.67876%0.756SS**  trans-80.498.216654.70000108.2T145 K149T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.34Å; S147-K149 PolarHBondContact O-N 3.31Å
148Y37.3Very low36Very low206 Ų206147.8 Ų147.881%0.80876%0.763SS**  trans-66.1114163.1-73.4-79000107.8I146I146-Y148 HydrophobicContact CB-CE2 4.46Å; I146-Y148 HydrophobicContact CG2-CD2 3.75Å; I146-Y148 HydrophobicContact CG2-CE1 4.4Å; I146-Y148 HydrophobicContact CG2-CE2 3.35Å; I146-Y148 HydrophobicContact CG2-CG 4.42Å; I146-Y148 PolarHBondContact O-N 2.97Å
149K41.5Very low36Very low196 Ų196148.5 Ų148.585%0.85276%0.764SS**  trans-72.1143.9164.8-84.5-165.8168-165.20108.9S147S147-K149 PolarHBondContact O-N 3.31Å
150E35.5Very low35.9Very low179 Ų179146 Ų14684%0.83676%0.764SS**  trans-53.4139.5158.8-65.3154.6126.600109.9
151N39.4Very low35.6Very low138 Ų138146.2 Ų146.274%0.73877%0.77SS**  -174.2127.7120.2-89.61.9000109.8
152D39.4Very low35.5Very low151 Ų151145 Ų14581%0.80777%0.774SS**  trans49.3118.6140.8-49.1-33.8000121.2
153G34.6Very low34.9Very low68 Ų68144.7 Ų144.770%0.70178%0.776SS**  trans80.390.2139.900000117.4
154H36.5Very low35.1Very low182 Ų182144.6 Ų144.684%0.84378%0.775SS**  -170.4144.595.5-106.9-75.7000112.5
155E33.4Very low34.5Very low164 Ų164145.5 Ų145.577%0.76677%0.772SS**  trans-64.2133.1172.3-56.4156.8117.600110.7
156F34.7Very low34.3Very low212 Ų212146.7 Ų146.793%0.9377%0.773SS**  trans-146.2102.6135.6-90.2-66.3000109.1
157S33.6Very low34.1Very low104 Ų104145.4 Ų145.473%0.72777%0.773SS**  trans-72.3146.5166.3520000110
158I35.1Very low33.7Very low159 Ų159148.3 Ų148.382%0.81578%0.78SS**  trans-166.3104.1133.7-94.8148.4000109.2
159V32.4Very low33.4Very low116 Ų116144.2 Ų144.270%0.70378%0.776SS**  trans40.2100.2137-1630000118.5
160N31.7Very low32.8Very low156 Ų156146.9 Ų146.983%0.83478%0.781SS**  -171.878.8118.3-98-28.5000111.7
161S29.4Very low32.6Very low106 Ų106145.9 Ų145.974%0.74178%0.778SS**  trans-123.6108.1163.458.30000109.2
162I31.9Very low32.1Very low157 Ų157143.6 Ų143.681%0.80577%0.772SS**  trans-95.492.7163.8-62.2-179.7000107
163Q28Very low32Very low179 Ų179144.1 Ų144.184%0.83677%0.772SS**  trans-105.292.9170.5-176175.84.300108
164S33.2Very low31.7Very low86 Ų86147.7 Ų147.760%0.60178%0.775SS**  trans-146.498171.255.40000107.6
165I29.2Very low31.6Very low142 Ų142145.4 Ų145.473%0.72877%0.769SS**  61.393.689.9-59.4162.5000110.6
166N32.1Very low31.9Very low154 Ų154144 Ų14482%0.82477%0.765SS**  -168.7111.4129.1-94.5-23.8000109.7
167P30.9Very low31.7Very low102 Ų102141.1 Ų141.166%0.66276%0.76SS**  trans-79.8173.4164.936.4-33.8000110.1
168I27.7Very low31.9Very low158 Ų158141.8 Ų141.881%0.8176%0.764SS**  trans72.3101.6172.2-47.9163.2000114.2
169T32.2Very low31.9Very low119 Ų119138.4 Ų138.473%0.7376%0.755SS**  -160.7101.7120.8-75.60000108.4M171T169-M171 HydrophobicContact CG2-CG 3.75Å; T169-M171 HydrophobicContact CG2-SD 4.42Å; T169-M171 PolarHBondContact O-N 2.85Å
170R27.9Very low32Very low252 Ų252138.9 Ų138.995%0.95175%0.754SS**  trans-77.4108.4161.5-80.4177.1166.2177.7-4.9107
171M31Very low32.2Very low159 Ų159137.3 Ų137.378%0.78375%0.75SS**  trans-97104.8161-81.3-175.277.700109.6T169T169-M171 HydrophobicContact CG2-CG 3.75Å; T169-M171 HydrophobicContact CG2-SD 4.42Å; T169-M171 PolarHBondContact O-N 2.85Å
172S28.9Very low32.4Very low89 Ų89136.5 Ų136.562%0.62274%0.744SS**  trans-63.9131161.7164.20000109.1N174S172-N174 PolarHBondContact OG-N 3.45Å
173M36.8Very low32.5Very low163 Ų163138.5 Ų138.580%0.80374%0.743SS**  trans-12360.8159.7-74.1-70.8-76.900108.4
174N30Very low33.1Very low143 Ų143137.4 Ų137.477%0.76574%0.742SS**  trans-79.8106.9152.2-84-5.5000106.7S172S172-N174 PolarHBondContact OG-N 3.45Å
175D34.5Very low33.3Very low134 Ų134136.8 Ų136.872%0.71774%0.742SS**  trans-153.1129.2162.1-105.8-34.3000112.7
176I39.2Very low33.7Very low133 Ų133138.2 Ų138.268%0.68275%0.746SS**  trans78.885.1147.8-54.1162.8000117.7
177N30.9Very low34.1Very low152 Ų152138.2 Ų138.281%0.81375%0.746SS**  62.2107122.4-52.9-15000120.9
178S36.2Very low34.5Very low118 Ų118139.2 Ų139.283%0.82575%0.746SS**  -151.9131.5112.2-168.30000110.8
179S35Very low35Very low88 Ų88138 Ų13862%0.61574%0.741SS**  trans-57.7157.4173.457.20000111.9
180D35Very low35.1Very low127 Ų127138.2 Ų138.268%0.67974%0.737SS**  -165.5146.555.5-101.2-58.3000115.5
181T37Very low35.3Very low123 Ų123133.1 Ų133.176%0.75573%0.728SS**  trans57.5149.7150.762.50000121.6
182S33.8Very low35.4Very low89 Ų89129.8 Ų129.862%0.62273%0.725SS**  cis-178170.3-4941.80000109.2
183Y34Very low35.4Very low198 Ų198132.9 Ų132.978%0.77673%0.733SS**  trans85.1101.2167.3-67.2-83.7000120.6
184L39.5Very low35.4Very low156 Ų156131.7 Ų131.782%0.81774%0.736SS**  trans73.6144.5133.8-52.8173.4000119.8
185A37.8Very low35.5Very low74 Ų74132 Ų13261%0.61274%0.737SS**  cis-160.3150.7-22.900000108.7
186E37.9Very low35.6Very low171 Ų171133.3 Ų133.380%0.79974%0.744SS**  trans18.2121.3143.8-66.1154.2-160.700118.3
187D40.7Very low35.1Very low155 Ų155132.2 Ų132.283%0.82975%0.747SS**  -158.5156.194.7-120.3-32.2000114.6
188N38.2Very low35.2Very low123 Ų123132.5 Ų132.566%0.65874%0.743SS**  trans-99.3-179.8-161.8-74.6-67.9000115.1
189N38.5Very low35Very low133 Ų133134.4 Ų134.471%0.71174%0.742SS**  trans91.8135.8158.1-47.9-51.7000116.6
190N34Very low35Very low122 Ų122134.9 Ų134.965%0.65274%0.742SS**  cis-163.8146.7-10.8-114-19.7000112.3
191I32.1Very low34.8Very low145 Ų145136 Ų13674%0.74475%0.746SS**  trans72.5127.5135.7-65.9166.6000121.6
192A32.7Very low34.8Very low89 Ų89137.5 Ų137.574%0.73675%0.748SS**  trans74.6113147.300000122.2
193I29.8Very low34.9Very low154 Ų154140.7 Ų140.779%0.7975%0.751SS**  trans-58.8139.6149.9-60.7152.3000110.4
194T36Very low34.8Very low139 Ų139138.5 Ų138.585%0.85375%0.753SS**  trans-149.7129.5142.913.90000109.9D196T194-D196 PolarHBondContact O-N 2.86Å
195D32.5Very low34.5Very low148 Ų148136.9 Ų136.979%0.79175%0.754SS**  trans-71.1119.2164.3-59.3-68.5000108.5
196D36.9Very low34.3Very low163 Ų163138.5 Ų138.587%0.87276%0.761SS**  -172.6161.9129.4-114.3-35000114.4T194 H198T194-D196 PolarHBondContact O-N 2.86Å; D196-H198 PolarHBondContact O-N 2.9Å
197C28.5Very low34.2Very low110 Ų110138.1 Ų138.174%0.74376%0.764SS**  trans-54.4112.7-179-179.80000114.5
198H34Very low33.8Very low158 Ų158135.8 Ų135.873%0.73176%0.76SS**  trans-153.5119.1141.5-120.7-77.4000113.9D196 T200D196-H198 PolarHBondContact O-N 2.9Å; H198-T200 PolarHBondContact O-N 3.35Å
199I30.3Very low33.8Very low157 Ų157136 Ų13681%0.80577%0.766SS**  trans-75101.5162.1-63.2172.5000107.1
200T36.1Very low33.6Very low98 Ų98135.6 Ų135.660%0.60176%0.764SS**  trans-114.7114.6168.438.50000110H198 I202H198-T200 PolarHBondContact O-N 3.35Å; T200-I202 PolarHBondContact O-N 2.87Å
201I30.7Very low34Very low150 Ų150135.2 Ų135.277%0.76977%0.766SS**  trans-74.891.8178.6-60.6167.4000107.7K203I201-K203 HydrophobicContact CG2-CG 4.46Å; I201-K203 PolarHBondContact O-N 2.92Å
202I37.5Very low34.4Very low155 Ų155137.6 Ų137.680%0.79577%0.766SS**  trans-78.2104.4169.6-60.8-178.8000107.9T200T200-I202 PolarHBondContact O-N 2.87Å
203K35.6Very low35Very low157 Ų157142.1 Ų142.168%0.68377%0.769SS**  trans-73168.5166.3-72.9179.7172.6175.90110.7I201I201-K203 HydrophobicContact CG2-CG 4.46Å; I201-K203 PolarHBondContact O-N 2.92Å
204D31Very low36Very low152 Ų152143.6 Ų143.681%0.81377%0.77SS**  trans70.492.8156.2-51.4-33.2000117.1
205S34.1Very low36.6Very low121 Ų121148.4 Ų148.485%0.84677%0.772SS**  -149.7122.8129.6-173.20000110.7
206S32.5Very low37.9Very low108 Ų108152.5 Ų152.576%0.75578%0.777SS**  trans-75.1127.6-177.451.20000112.1
207N37.1Very low38.9Very low163 Ų163150.5 Ų150.587%0.87277%0.773SS**  trans-141.197.9151.2-105.7-35.6000111.9T209N207-T209 PolarHBondContact O-N 3.33Å
208S31.2Very low40.3Very low107 Ų107153.5 Ų153.575%0.74878%0.78SS**  trans-82.5106.9179.2155.10000111
209T39.6Very low41.6Very low128 Ų128154.9 Ų154.979%0.78579%0.787SS**  trans-126.476.7160.546.60000110.8N207 T211N207-T209 PolarHBondContact O-N 3.33Å; T209-T211 PolarHBondContact O-N 2.85Å
210N34.6Very low42.6Very low124 Ų124158.4 Ų158.466%0.66379%0.791SS**  trans-8175.2-174.5-168.3-7000112.4R212N210-R212 PolarHBondContact O-N 3.29Å
211T41.1Very low43.5Very low113 Ų113163 Ų16369%0.69381%0.805SS**  trans-82.167.3172.3510000111.6T209 F213T209-T211 PolarHBondContact O-N 2.85Å; T211-F213 VanDerWaalsContact C-N 3.29Å; T211-F213 WeakPolarHBondContact O-CD2 3.29Å; T211-F213 PolarHBondContact O-N 3.34Å
212R40.8Very low44.1Very low195 Ų195165.1 Ų165.174%0.73681%0.809SS**  trans-63.283.4172.9-177.1-173.6-87.4-179-9.1110.7N210 K214N210-R212 PolarHBondContact O-N 3.29Å; R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.39Å
213F45Very low45Very low184 Ų184163.5 Ų163.581%0.80781%0.811SS**  trans-61.892.1171.3-81.9-81.1000110.8T211 R215T211-F213 VanDerWaalsContact C-N 3.29Å; T211-F213 WeakPolarHBondContact O-CD2 3.29Å; T211-F213 PolarHBondContact O-N 3.34Å; F213-R215 PolarHBondContact O-N 3.13Å
214K50.2Low45.4Very low185 Ų185163.3 Ų163.380%0.80482%0.818SS**  trans-6198.6172.3-71-178.6178.1177.30109.4R212 R216R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.39Å; K214-R216 PolarHBondContact O-N 2.95Å
215R49.5Very low45.9Very low240 Ų240159.3 Ų159.391%0.90681%0.812SS**  trans-62.5115.9168.5-72.6-178.3169.5-179.6-3.2108.8F213F213-R215 PolarHBondContact O-N 3.13Å
216R59.5Low46.1Very low234 Ų234163.5 Ų163.588%0.88382%0.815SS**  trans-60.7139.1172.8-72-179.6174.2171.7-2.6109.8K214K214-R216 PolarHBondContact O-N 2.95Å
217P57.8Low46.5Very low122 Ų122164 Ų16479%0.79281%0.814SS**  trans-67.7135172.627.9-32.9000110.4Q219P217-Q219 PolarHBondContact O-N 3.17Å
218L57.8Low46.9Very low172 Ų172164.5 Ų164.590%0.90181%0.811SS**  trans-72.698.9172.1-89.1106.4000110.2R220L218-R220 PolarHBondContact O-N 3.44Å
219Q60.8Low47.6Very low188 Ų188166.7 Ų166.788%0.87981%0.814SS**  trans-70.3113.3170.5-164.3168.75.700109P217 Q221P217-Q219 PolarHBondContact O-N 3.17Å; Q219-Q221 PolarHBondContact O-N 3.08Å
220R52.4Low47.7Very low231 Ų231168.8 Ų168.887%0.87282%0.82SS**  trans-77.5106.1178.8-71.4-179.3170-142.52.1110L218L218-R220 PolarHBondContact O-N 3.44Å
221Q54Low48.4Very low193 Ų193168.3 Ų168.390%0.90282%0.822SS**PPolyproline II helixtrans-65.9132.2160.8-76.4178.4-36.900109.4Q219Q219-Q221 PolarHBondContact O-N 3.08Å
222K44.8Very low48.5Very low196 Ų196171.4 Ų171.485%0.85283%0.828SS**PPolyproline II helixtrans-92120166.1-62.7175.1179.7177.30106.8
223S56.7Low49Very low120 Ų120167.7 Ų167.784%0.83983%0.829SS**PPolyproline II helixtrans-99.2125.9158.946.30000108.5
224N43.6Very low48.9Very low154 Ų154166.8 Ų166.882%0.82483%0.827SS**PPolyproline II helixtrans-85.2156.3169.4-71.3-11.6000109.3
225G40.1Very low48.6Very low67 Ų67164 Ų16469%0.69183%0.826SS**  trans76.5100.2155.800000116.3
226F38.7Very low48Very low209 Ų209158.5 Ų158.592%0.91782%0.815SS**  trans-156.3100.4135-114.5-76.1000107.9
227T41.2Very low47.2Very low118 Ų118155 Ų15572%0.72481%0.813SS**  trans-86.1169.7156.740.30000108.8
228E46.3Very low46.5Very low175 Ų175159.1 Ų159.182%0.81881%0.812SS**  trans71114.8-177-49.3173.3166.100111.6
229L44.9Very low45.7Very low153 Ų153158.8 Ų158.880%0.80181%0.806SS**  cis-150.3106.948.9-79.5150.5000110.6
230D41.9Very low44.6Very low171 Ų171160.9 Ų160.991%0.91481%0.806SS**  trans-85.8109.9151.8-83.1-40.9000106.7
231T48.8Very low44.2Very low114 Ų114158 Ų15870%0.69981%0.807SS**  trans-151.8105.4170.1-37.20000108.1
232E42.7Very low43.5Very low179 Ų179154.2 Ų154.284%0.83680%0.797SS**  trans-69.3140.2173.2-65.4-161.7143.600110.2E234E232-E234 PolarHBondContact O-N 3.32Å; E232-E234 VanDerWaalsContact O-N 3.11Å
233P51.2Low43.3Very low116 Ų116149.8 Ų149.875%0.75379%0.791SS**  trans-76.395.1165.930.9-30.9000109V235P233-V235 WeakPolarHBondContact O-CG2 3.32Å; P233-V235 PolarHBondContact O-N 3.3Å; P233-V235 VanDerWaalsContact O-N 3.13Å
234E43.6Very low42.4Very low165 Ų165151.8 Ų151.877%0.77179%0.792SS**  trans-63.8109.8171.9-167.6-179.4-130.400109.7E232 N236E232-E234 PolarHBondContact O-N 3.32Å; E232-E234 VanDerWaalsContact O-N 3.11Å; E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 3.29Å
235V43.1Very low42Very low128 Ų128149.2 Ų149.278%0.77679%0.786SS**  trans-82.180.4-175.6-170.50000110P233 L237P233-V235 WeakPolarHBondContact O-CG2 3.32Å; P233-V235 PolarHBondContact O-N 3.3Å; P233-V235 VanDerWaalsContact O-N 3.13Å; V235-L237 PolarHBondContact O-N 3.06Å
236N38.3Very low42Very low124 Ų124151.6 Ų151.666%0.66379%0.793SS**  trans-84.7100.2177.8-127.2-45.1000111E234 R238E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 3.29Å; N236-R238 PolarHBondContact O-N 3.19Å
237L42.6Very low42Very low161 Ų161146.8 Ų146.884%0.84379%0.785SS**  trans-75.295.2172.6-82.3164.4000110.2V235V235-L237 PolarHBondContact O-N 3.06Å
238R42.2Very low42.1Very low208 Ų208146.9 Ų146.979%0.78579%0.785SS**  trans-147.1120.5162.8-116.9177-179.3-166.4-2.4114N236N236-R238 PolarHBondContact O-N 3.19Å
239E41.1Very low41.8Very low165 Ų165143.8 Ų143.877%0.77178%0.778SS**  trans38.395.9141-66.5165165.800117.5
240R37.5Very low41.7Very low231 Ų231143.2 Ų143.287%0.87278%0.776SS**  trans-107.273.7162.1-161174.6-172.3172.22.5110.6
241L43.9Very low41.7Very low171 Ų171141 Ų14190%0.89576%0.764SS**  trans-109.7105.8161.6-75.2176.2000108.5
242T39.8Very low41.4Very low113 Ų113141.3 Ų141.369%0.69376%0.761SS**  trans-143.9135.117553.30000107.7
243S40Very low41.5Very low103 Ų103138.7 Ų138.772%0.7275%0.753SS**  cis179.5138.6-11.339.50000105.6
244N38Very low41.1Very low162 Ų162139.1 Ų139.187%0.86675%0.749SS**  trans-135.193.3166-103.7-2.8000110.9
245S36.9Very low41Very low101 Ų101138 Ų13871%0.70675%0.748SS**  trans58.4132.5137.4-560000122.6
246S39.6Very low40.8Very low117 Ų117140 Ų14082%0.81875%0.754SS**  trans69.4140.1161.369.30000117.3
247S38.1Very low41Very low107 Ų107139.2 Ų139.275%0.74876%0.756SS**  cis-167.2-171.8-13.346.60000108.8
248V42.6Very low41Very low121 Ų121139.4 Ų139.473%0.73376%0.756SS**  trans85.178.6166-163.80000118.5
249T40.7Very low41.1Very low110 Ų110137.5 Ų137.568%0.67576%0.756SS**  38.6130.3126.358.30000124
250N43.1Very low41.1Very low140 Ų140139.4 Ų139.475%0.74976%0.761SS**  trans62.9124.4133.9-64.42.3000119
251N42.2Very low41.4Very low126 Ų126138.1 Ų138.167%0.67476%0.762SS**  -176.2146.653.8-108.8-20.3000113.4
252N43.1Very low41.6Very low120 Ų120139.1 Ų139.164%0.64276%0.76SS**  trans65.3117.5135.2-61.8-11.1000124.8
253N43.7Very low41.3Very low124 Ų124142 Ų14266%0.66377%0.77SS**  92.6106.2123.3-64.5-3.4000123.1
254N42.5Very low41.4Very low124 Ų124144.6 Ų144.666%0.66377%0.774SS**  80.3115.6120.6-59-11.7000122.8
255N41.2Very low41.3Very low141 Ų141142.8 Ų142.875%0.75477%0.769SS**  trans63.5116.5135.5-57.2-16.8000121.3
256L39.3Very low41.9Very low170 Ų170143.8 Ų143.889%0.8977%0.773SS**  -172.7173.6122.4-117.475.5000110
257P43.9Very low42Very low109 Ų109145.7 Ų145.771%0.70877%0.774SS**  trans-124.2-178.4-13727.1-1.3000116.2
258I40.7Very low42Very low164 Ų164150.4 Ų150.484%0.84178%0.781SS**  trans-36.4126177.3-59.1159.2000114.7
259Q44.5Very low41.9Very low168 Ų168154 Ų15479%0.78579%0.79SS**  trans-108.4139159.4-75.2-169.9-3.100111.5
260K41.5Very low41.8Very low205 Ų205154.1 Ų154.189%0.89180%0.795SS**PPolyproline II helixtrans-80.8124.8175.3-68.3174.6177174.80110.3
261F44.2Very low41.5Very low204 Ų204155.9 Ų155.990%0.89580%0.803SS**PPolyproline II helixtrans-80.6132.7165.4-84-85.5000111.4
262K47.3Very low41.3Very low192 Ų192158.2 Ų158.284%0.83581%0.81SS**PPolyproline II helixtrans-102.6135.2-175.7-168177.9-176.6-177.70108.2
263L34.8Very low41Very low175 Ų175158.4 Ų158.492%0.91682%0.818SS**PPolyproline II helixtrans-61.5139174.8-8889.3000110.7
264I40.9Very low40.5Very low157 Ų157163.7 Ų163.781%0.80583%0.83SS**  trans-127116.1169-60.7176.8000108
265T37.2Very low40.3Very low123 Ų123166.3 Ų166.376%0.75584%0.838SS**PPolyproline II helixtrans-89.5130.4162.526.70000109.4
266P48.8Very low39.9Very low122 Ų122164 Ų16479%0.79283%0.833SS**PPolyproline II helixtrans-76.8144171.830.6-32.4000111.5
267N42.1Very low40Very low158 Ų158163.2 Ų163.285%0.84583%0.83SS**PPolyproline II helixtrans-75.6162.8-177.5-75.6-30.8000113.2
268K38.5Very low39.6Very low206 Ų206164.9 Ų164.990%0.89683%0.833SS**PPolyproline II helixtrans-78.9133.5160.9-64.7174.9178.5175.60109.2
269E40Very low39.5Very low196 Ų196164.8 Ų164.892%0.91683%0.834SS**  trans-128.1152.6158.4-80.8-173160.700110.7
270S37.2Very low39.2Very low113 Ų113162.4 Ų162.479%0.7983%0.831SS**  trans-109.9134.8-168.3540000111.7
271I38.4Very low39.1Very low176 Ų176160.2 Ų160.290%0.90383%0.827SS**  trans-132.8143.1161.9-58.7-176.7000109.3
272Q37.6Very low38.9Very low176 Ų176156.6 Ų156.682%0.82282%0.816SS**PPolyproline II helixtrans-79.8163.4-169.9-69.4-175.7-10.800114.1
273P35.8Very low38.5Very low124 Ų124155.1 Ų155.181%0.80582%0.817SS**PPolyproline II helixtrans-85.2139173.934.2-33000112.5
274Y34.7Very low38.8Very low234 Ų234152.4 Ų152.492%0.91880%0.804SS**PPolyproline II helixtrans-92.3143.7168.3-106.3-95.7000111.5
275Q37.7Very low38.7Very low179 Ų179151.6 Ų151.684%0.83680%0.801SS**PPolyproline II helixtrans-95.1155.6174.8-69.3-175.6-52.100112
276S32.8Very low38.8Very low92 Ų92153.3 Ų153.364%0.64381%0.805SS**  trans44.2125.1140.2-177.60000119.9
277N40.7Very low38.3Very low155 Ų155156.3 Ų156.383%0.82981%0.806SS**  -153142.9115.8-91.1-22.6000110.5
278N36.7Very low38.2Very low144 Ų144158 Ų15877%0.7781%0.809SS**  trans-86.3141.7172.4-65-37.1000109
279D38.7Very low38Very low161 Ų161153.4 Ų153.486%0.86180%0.798SS**  trans-134.4122.2156.7-89.5-48.3000110
280T36.9Very low38Very low119 Ų119150.5 Ų150.573%0.7379%0.794SS**  trans-99.6118.6-177-46.10000108.8I282T280-I282 HydrophobicContact CG2-CG1 4.32Å
281I39.5Very low37.9Very low158 Ų158152 Ų15281%0.8179%0.793SS**  trans-116.7101.8168.4-60.3-178.4000109
282I39.8Very low38Very low128 Ų128150.8 Ų150.866%0.65679%0.788SS**  trans-83.3132.6163.3-65168.2000106.9T280T280-I282 HydrophobicContact CG2-CG1 4.32Å
283N40.2Very low37.9Very low161 Ų161149.4 Ų149.486%0.86179%0.787SS**  trans-146.4147.3148.6-136.2-15.2000112.3
284N39.8Very low37.9Very low118 Ų118151.6 Ų151.663%0.63179%0.786SS**  trans-108167.5-154.7-85.4-33.3000114.3
285N39.8Very low38Very low140 Ų140147.1 Ų147.175%0.74977%0.773SS**  trans71130153.7-59.7-23.3000117.1
286N40Very low38.1Very low159 Ų159144.9 Ų144.985%0.8576%0.762SS**  -154.2158.253.2-102-41.1000114.7
287K37.7Very low38.3Very low186 Ų186147.5 Ų147.581%0.80976%0.764SS**  trans-85.5154.8177-63171.7176.4175.70112
288H39.7Very low38Very low194 Ų194145.5 Ų145.590%0.89875%0.753SS**  trans-150.8136.2131.5-120.5-75.8000111.9
289T34.4Very low38.1Very low109 Ų109146.9 Ų146.967%0.66975%0.754SS**  trans-116.9149.8-176.346.20000110.9
290T39.6Very low37.8Very low135 Ų135144.7 Ų144.783%0.82874%0.743SS**  trans160.3114.2136.441.60000109.1
291N35.9Very low37.8Very low143 Ų143147.2 Ų147.277%0.76575%0.75SS**  61.3116.779.8-102.618.6000116.4
292N39.3Very low37.4Very low152 Ų152147 Ų14781%0.81375%0.745SS**  177.1156.5112.7-87.2-19.6000114.7
293N36Very low37Very low147 Ų147147.5 Ų147.579%0.78675%0.754SS**  trans-97.6154.5-170.3-53.2-52000114.2
294H36.3Very low36.4Very low170 Ų170144.5 Ų144.579%0.78774%0.742SS**  trans179.6163.6134.7-107.753.2000110.5
295H37.2Very low36.2Very low140 Ų140149.4 Ų149.465%0.64875%0.753SS**  cis169.5158.5-34.4-154.6-54.6000105.7
296H39.2Very low35.6Very low132 Ų132149.9 Ų149.961%0.61176%0.755SS**  trans106.6111.1169.6-67.1-81.1000115.5
297Q36.2Very low35.3Very low146 Ų146147.2 Ų147.268%0.68275%0.749SS**  76.7145.975-75.4-171.9-17.900112.2
298L35Very low34.8Very low114 Ų114144.5 Ų144.560%0.59775%0.748SS**  cis-164.1150.8-0.8-113.7163.6000107.8
299H38.2Very low34.2Very low172 Ų172140 Ų14080%0.79674%0.739SS**  172.3152.5118.5-103.8-61.4000115
300D33.4Very low34.2Very low116 Ų116142.4 Ų142.462%0.6275%0.746SS**  trans-89.2172.8-169.1-38.2-92.8000114.1
301I36Very low33.8Very low171 Ų171141 Ų14188%0.87774%0.742SS**  -171139.8113.9-92.5153.3000111.3
302H30.8Very low33.6Very low153 Ų153139 Ų13971%0.70874%0.74SS**  trans-60.2152.6177.4-89.4-111.7000115.5
303T33Very low33.5Very low139 Ų139139.4 Ų139.485%0.85374%0.74SS**  -154.5144.9121.2-15.90000112.3
304T27.5Very low33.2Very low98 Ų98139.4 Ų139.460%0.60174%0.74SS**  trans-135.2123.2-171.9-48.80000111.2
305Y34.8Very low33.2Very low221 Ų221138 Ų13887%0.86774%0.738SS**  trans-157.7113.7161.9-83.6-78000106.1
306L28.3Very low33.3Very low150 Ų150140.3 Ų140.379%0.78575%0.746SS**  cis8785.838-155.7113.5000114.4
307S32.3Very low33.1Very low103 Ų103140.7 Ų140.772%0.7275%0.751SS**  trans177115.3146.4260000108.3
308T27.3Very low33Very low130 Ų130140.8 Ų140.880%0.79876%0.757SS**  48.5126.676.364.40000112.9
309S28.4Very low33.1Very low100 Ų100145.3 Ų145.370%0.69977%0.771SS**  cis-173.3-17617.331.80000110.5
310L34.5Very low32.9Very low158 Ų158142.3 Ų142.383%0.82777%0.77SS**  trans81.9113.6178.4-58.2133.7000113.3
311S30Very low33Very low106 Ų106146.3 Ų146.374%0.74179%0.785SS**  cis58.6131.240.496.30000112.5
312S32.7Very low32.8Very low102 Ų102143.6 Ų143.671%0.71378%0.781SS**  cis-160.3174.73.654.30000109.6
313I36.5Very low33.2Very low160 Ų160144.2 Ų144.282%0.82179%0.788SS**  trans14393.4150.3-71.7155.3000109.7
314N30.7Very low33.5Very low146 Ų146146.2 Ų146.278%0.78179%0.785SS**  trans-84.9148.3147.7-78.2-25.5000107.7
315D36.1Very low33.8Very low142 Ų142147.3 Ų147.376%0.75979%0.794SS**  169.2158.7118.6-93.1-11.2000114.7
316K38Very low33.8Very low188 Ų188143.9 Ų143.982%0.81779%0.789SS**  trans81.597.5171-62.2165.8-172.4173.50115.3
317I36.6Very low33.9Very low139 Ų139142.8 Ų142.871%0.71379%0.788SS**  cis76.3109.349.8-54.5177.3000114
318N33.4Very low33.8Very low149 Ų149142.9 Ų142.980%0.79779%0.788SS**  trans48.8118.1151.4-57.3-13.5000120.7
319K37.4Very low34.2Very low208 Ų208144.2 Ų144.290%0.90479%0.79SS**  -154125.7116.3-111160.3-172.5175.20113.5
320S32.5Very low34.2Very low110 Ų110149.1 Ų149.177%0.76980%0.795SS**  trans-52.5146.2173.435.50000115.4
321Q36.2Very low34.1Very low199 Ų199147.1 Ų147.193%0.9379%0.791SS**  trans-151.9130.9135.8-114.3170.547.700111.2
322S32Very low34.1Very low115 Ų115147.7 Ų147.780%0.80479%0.791SS**  trans-85.8133.1-177.247.50000111.3
323I39.6Very low34.1Very low166 Ų166149.9 Ų149.985%0.85179%0.793SS**  trans-119.2124.4165.8-60-178.5000107.7
324K39.5Very low33.8Very low180 Ų180151.5 Ų151.578%0.78379%0.794SS**  trans-69.9144.9-172.4-60.9173.1-179.51770111I326K324-I326 PolarHBondContact O-N 2.94Å
325P33.4Very low33.9Very low122 Ų122150.4 Ų150.479%0.79279%0.792SS**  trans-68.9121.2167.529.3-32.3000109.5T327P325-T327 PolarHBondContact O-N 3.44Å
326I34.1Very low33.7Very low149 Ų149151 Ų15176%0.76479%0.788SS**  trans-82.7110.2170.8-62.5177.6000108K324 C328K324-I326 PolarHBondContact O-N 2.94Å; I326-C328 PolarHBondContact O-N 2.83Å
327T30.9Very low33.2Very low126 Ų126147.7 Ų147.777%0.77379%0.788SS**  trans-77.3102.1172.831.90000110.7P325P325-T327 PolarHBondContact O-N 3.44Å
328C31.3Very low33Very low105 Ų105149 Ų14971%0.70979%0.786SS**  trans-91.7111.2170.5-66.30000110.4I326I326-C328 PolarHBondContact O-N 2.83Å
329N34.5Very low33Very low158 Ų158150.2 Ų150.285%0.84579%0.786SS**  trans-71.8135.7176.3-74.6-31.9000111.8
330Y28.2Very low32.5Very low204 Ų204148 Ų14880%0.878%0.784SS**  trans-70.4159.5-178.9-66.5-97.2000114
331P31.8Very low32.5Very low116 Ų116150 Ų15075%0.75379%0.785SS**  trans-94.6104.4135.432.1-26.5000109.8I333P331-I333 PolarHBondContact O-N 2.8Å
332T32Very low32.2Very low118 Ų118148.7 Ų148.772%0.72478%0.778SS**  trans-71.298.1-178.5-24.40000110.9K334T332-K334 PolarHBondContact O-N 2.99Å
333I32.7Very low32.3Very low148 Ų148149 Ų14976%0.75978%0.775SS**  trans-70.199174.8-57.8179.6000109P331 V335P331-I333 PolarHBondContact O-N 2.8Å; I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CG2-CG2 3.97Å; I333-V335 PolarHBondContact O-N 3.3Å
334K29.4Very low31.9Very low193 Ų193147.4 Ų147.484%0.83977%0.768SS**  trans-67.584.1170.3-72.4-177.6177.1177.70110.2T332 K336T332-K334 PolarHBondContact O-N 2.99Å; K334-K336 PolarHBondContact O-N 3.04Å
335V33.1Very low31.7Very low124 Ų124145 Ų14575%0.75276%0.763SS**  trans-70.4100.4166.6-176.30000108.1I333 S337I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CG2-CG2 3.97Å; I333-V335 PolarHBondContact O-N 3.3Å; V335-S337 PolarHBondContact O-N 3.11Å; V335-S337 VanDerWaalsContact O-N 3.11Å
336K30.5Very low31.8Very low155 Ų155145.7 Ų145.767%0.67476%0.76SS**  trans-63.6107169.6-78.8166.5137.1-171.10109K334 Y338K334-K336 PolarHBondContact O-N 3.04Å; K336-Y338 HydrophobicContact CB-CD2 3.94Å; K336-Y338 HydrophobicContact CB-CE2 3.66Å; K336-Y338 HydrophobicContact CD-CE2 3.91Å; K336-Y338 HydrophobicContact CG-CE2 4.17Å; K336-Y338 PolarHBondContact O-N 3.45Å
337S28.9Very low31.8Very low117 Ų117145 Ų14582%0.81876%0.758SS**  trans-70.1113.516645.60000109.1V335V335-S337 PolarHBondContact O-N 3.11Å; V335-S337 VanDerWaalsContact O-N 3.11Å
338Y31.1Very low32.1Very low167 Ų167146.1 Ų146.166%0.65576%0.759SS**  trans-115.9145.7168.2-76.4-69.5000110.2K336K336-Y338 HydrophobicContact CB-CD2 3.94Å; K336-Y338 HydrophobicContact CB-CE2 3.66Å; K336-Y338 HydrophobicContact CD-CE2 3.91Å; K336-Y338 HydrophobicContact CG-CE2 4.17Å; K336-Y338 PolarHBondContact O-N 3.45Å
339H33.2Very low32.4Very low175 Ų175148.3 Ų148.381%0.8176%0.764SS**  trans78.184179.1-57-28.4000116.8I341H339-I341 PolarHBondContact O-N 2.88Å
340N28.5Very low32.6Very low162 Ų162147.8 Ų147.887%0.86676%0.761SS**  trans-35.2120.4130.7-87.9-21.4000110.4
341I32Very low33.2Very low152 Ų152144.4 Ų144.478%0.77976%0.757SS**  trans-101.4102.1152.4-63.5179.4000105.3H339 T343H339-I341 PolarHBondContact O-N 2.88Å; I341-T343 PolarHBondContact O-N 2.87Å
342Q30.4Very low33.5Very low170 Ų170145.7 Ų145.779%0.79476%0.758SS**  trans-73.9106.2179.3-163.1170.915.800108I344Q342-I344 PolarHBondContact O-N 3.42Å
343T32.3Very low33.9Very low121 Ų121147 Ų14774%0.74276%0.76SS**  trans-70.194.7178.4-41.70000109.2I341 N345I341-T343 PolarHBondContact O-N 2.87Å; T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.44Å
344I33.1Very low34Very low134 Ų134147.3 Ų147.369%0.68776%0.763SS**  trans-69.195.7172.4-60.8177000107.6Q342 N346Q342-I344 PolarHBondContact O-N 3.42Å; I344-N346 PolarHBondContact O-N 3.26Å; I344-N346 VanDerWaalsContact O-N 3.09Å
345N34.3Very low34.3Very low129 Ų129145.1 Ų145.169%0.6976%0.761SS**  trans-82.483.4178.9-154.832.1000108.7T343 N347T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.44Å; N345-N347 VanDerWaalsContact C-N 3.3Å; N345-N347 PolarHBondContact O-N 2.93Å
346N35.6Very low34.4Very low137 Ų137147.3 Ų147.373%0.73377%0.768SS**  trans-7088176-102.86.4000110.1I344 N348I344-N346 PolarHBondContact O-N 3.26Å; I344-N346 VanDerWaalsContact O-N 3.09Å; N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 2.91Å
347N33.9Very low34.5Very low134 Ų134145.3 Ų145.372%0.71777%0.769SS**  trans-63.891.2162.2-82.5-8.8000109.2N345N345-N347 VanDerWaalsContact C-N 3.3Å; N345-N347 PolarHBondContact O-N 2.93Å
348N38.4Very low34.9Very low150 Ų150147.5 Ų147.580%0.80277%0.77SS**  trans-112.298.4157.1-98.6-9.7000108.7N346 N350N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 2.91Å; N348-N350 PolarHBondContact O-N 2.92Å
349N35.8Very low35.1Very low150 Ų150148.3 Ų148.380%0.80278%0.776SS**  trans-57.9120.5163.2-74.2-26.8000108.8
350N40.2Very low35.1Very low148 Ų148145.5 Ų145.579%0.79178%0.777SS**  trans-169.6106.5133.8-97.8-28.4000112N348N348-N350 PolarHBondContact O-N 2.92Å
351N39.6Very low35.5Very low133 Ų133144.5 Ų144.571%0.71177%0.77SS**  trans39.5121.6136.6-65.1-11.2000121.1
352N39.4Very low35.6Very low143 Ų143144.3 Ų144.377%0.76577%0.77SS**  trans87.8140.4138.6-62.6-13.6000120.2
353N39.6Very low35.8Very low145 Ų145147.1 Ų147.178%0.77577%0.774SS**  trans80.678.9162.9-57.7-14.8000117.8N355N353-N355 PolarHBondContact O-N 3.49Å
354N33.8Very low35.8Very low154 Ų154151.5 Ų151.582%0.82478%0.777SS**  17.199.7121.4-64.4-12.8000116.1
355N37.2Very low35.9Very low148 Ų148150 Ų15079%0.79177%0.774SS**  trans-172.994.6140.7-95.2-32000110.3N353 V357N353-N355 PolarHBondContact O-N 3.49Å; N355-V357 PolarHBondContact O-N 3.35Å
356N33.7Very low35.7Very low169 Ų169153.1 Ų153.190%0.90478%0.777SS**  trans-73.772.2177.1-80.6-18.9000111.8I358N356-I358 PolarHBondContact O-N 2.91Å
357V33.6Very low35.5Very low114 Ų114156 Ų15669%0.69179%0.789SS**  trans-88.692.5170.2-177.60000109N355 K359N355-V357 PolarHBondContact O-N 3.35Å; V357-K359 PolarHBondContact O-N 3.41Å
358I36.4Very low35.6Very low162 Ų162155.4 Ų155.483%0.83179%0.79SS**  trans-67.897.7172.1-59.1176.7000108.4N356 S360N356-I358 PolarHBondContact O-N 2.91Å; I358-S360 PolarHBondContact O-N 3.38Å
359K35.5Very low35.1Very low184 Ų184159.2 Ų159.280%0.879%0.793SS**  trans-63.8124.7170.3-81-179.2175.4174.70109.6V357 I361V357-K359 PolarHBondContact O-N 3.41Å; K359-I361 PolarHBondContact O-N 3.05Å
360S34.7Very low34.9Very low116 Ų116157.1 Ų157.181%0.81179%0.79SS**  trans-67.6112.217541.60000111I358 N362I358-S360 PolarHBondContact O-N 3.38Å; S360-N362 PolarHBondContact O-N 2.87Å
361I35.3Very low34.4Very low141 Ų141155.6 Ų155.672%0.72379%0.787SS**  trans-73.4112.1173.7-62.3177000108.5K359 R363K359-I361 PolarHBondContact O-N 3.05Å; I361-R363 VanDerWaalsContact C-N 3.29Å; I361-R363 HydrophobicContact CG2-CG 3.94Å; I361-R363 PolarHBondContact O-N 2.96Å
362N34.7Very low34.1Very low148 Ų148155.4 Ų155.479%0.79179%0.785SS**  trans-74.175.7-177.1-160.2-6.8000111.2S360 R364S360-N362 PolarHBondContact O-N 2.87Å; N362-R364 VanDerWaalsContact C-N 3.28Å; N362-R364 PolarHBondContact O-N 2.93Å
363R35.4Very low33.7Very low229 Ų229154.8 Ų154.886%0.86478%0.782SS**  trans-74.475.2179.6-69.8-166.5177.7-162.80.1112I361I361-R363 VanDerWaalsContact C-N 3.29Å; I361-R363 HydrophobicContact CG2-CG 3.94Å; I361-R363 PolarHBondContact O-N 2.96Å
364R31.6Very low33.4Very low214 Ų214154.9 Ų154.981%0.80878%0.78SS**  trans-103.3141.3162.3-151.5179.5-155.7-162.96.1108.1N362N362-R364 VanDerWaalsContact C-N 3.28Å; N362-R364 PolarHBondContact O-N 2.93Å
365T35.2Very low33.3Very low103 Ų103154.9 Ų154.963%0.63278%0.775SS**  trans64.4140.8-169.573.70000113.6
366Y30.9Very low33.2Very low194 Ų194154.1 Ų154.176%0.76177%0.771SS**  cis-132138.59.3-64.8-100.2000110.9
367M30.6Very low33.2Very low198 Ų198151.7 Ų151.798%0.97576%0.763SS**  trans-13281.8153.4-88.8-146.2153.700108.9
368T35.4Very low33.3Very low120 Ų120154.1 Ų154.174%0.73677%0.771SS**  trans-66132.7163.235.40000109.1S370T368-S370 PolarHBondContact O-N 3.05Å; T368-S370 VanDerWaalsContact O-N 3.13Å
369R28.5Very low33.2Very low231 Ų231153.6 Ų153.687%0.87277%0.77SS**  trans-64109.8170.2-86.5174.6158.3-179-8.5109.3T371R369-T371 VanDerWaalsContact C-N 3.32Å; R369-T371 PolarHBondContact O-N 3.42Å
370S30.8Very low33.3Very low105 Ų105153.6 Ų153.673%0.73477%0.773SS**  trans-83.378.215942.90000109.7T368 N372T368-S370 PolarHBondContact O-N 3.05Å; T368-S370 VanDerWaalsContact O-N 3.13Å; S370-N372 PolarHBondContact O-N 2.93Å
371T30.5Very low33.5Very low117 Ų117154 Ų15472%0.71877%0.772SS**  trans-78.273162.346.50000108.9R369R369-T371 VanDerWaalsContact C-N 3.32Å; R369-T371 PolarHBondContact O-N 3.42Å
372N33.9Very low33.3Very low128 Ų128157.4 Ų157.468%0.68478%0.777SS**  trans-103.2105.4175.7-79.1-1.4000110.4S370S370-N372 PolarHBondContact O-N 2.93Å
373L30.7Very low33.3Very low131 Ų131157.4 Ų157.469%0.68678%0.777SS**  trans40.192.7140.3-60.4120.4000116.9H375L373-H375 VanDerWaalsContact CD2-CD2 3.5Å; L373-H375 WeakPolarHBondContact CD2-CD2 3.34Å
374I32.2Very low33.4Very low147 Ų147152.7 Ų152.775%0.75477%0.77SS**  trans-99.5101.6135.6-61.4176.4000104.9D376I374-D376 WeakPolarHBondContact CG2-OD1 3.24Å; I374-D376 PolarHBondContact O-N 3.16Å
375H32.6Very low33.5Very low153 Ų153152.2 Ų152.271%0.70877%0.769SS**  trans-78.695.5160.3-98.8-70.5000106.1L373 T377L373-H375 VanDerWaalsContact CD2-CD2 3.5Å; L373-H375 WeakPolarHBondContact CD2-CD2 3.34Å; H375-T377 PolarHBondContact O-N 3.08Å
376D35Very low33.5Very low133 Ų133154.5 Ų154.571%0.71178%0.776SS**  trans-70.1110.5159-76.1-33000106.8I374 L378I374-D376 WeakPolarHBondContact CG2-OD1 3.24Å; I374-D376 PolarHBondContact O-N 3.16Å; D376-L378 PolarHBondContact O-N 3.18Å; D376-L378 VanDerWaalsContact O-N 3.16Å
377T32.8Very low33.8Very low118 Ų118151.8 Ų151.872%0.72477%0.773SS**  trans-75.1100.1175.8-40.60000107.9H375H375-T377 PolarHBondContact O-N 3.08Å
378L37.2Very low34.2Very low164 Ų164149.4 Ų149.486%0.85977%0.765SS**  trans-116.6113.2165.5-73.8175.4000108.1D376 E380D376-L378 PolarHBondContact O-N 3.18Å; D376-L378 VanDerWaalsContact O-N 3.16Å; L378-E380 PolarHBondContact O-N 3.15Å
379D34.5Very low34.3Very low152 Ų152150.7 Ų150.781%0.81377%0.767SS**  trans-66.3120.6174.2-59.6-63.5000110.2
380E36.4Very low34.6Very low184 Ų184148.4 Ų148.486%0.8677%0.766SS**  trans-142.8145.8144.8-82.4-149.4161.400110L378L378-E380 PolarHBondContact O-N 3.15Å
381P39.4Very low35Very low124 Ų124153.7 Ų153.781%0.80577%0.771SS**  trans-80.4162.4-168.832.3-36.3000114.2
382Y30.4Very low35.2Very low212 Ų212155 Ų15583%0.83177%0.774SS**  trans-58.8139.3177.5-76.5-108.3000113.6
383D36.4Very low35.4Very low148 Ų148155.6 Ų155.679%0.79178%0.777SS**  trans-128.8122.9150.6-110.9-25.8000109.8
384N37.1Very low35.7Very low131 Ų131155.7 Ų155.770%0.70178%0.778SS**  trans-85.3121.5-177.9-80.5-48.2000111.1
385Y33.5Very low35.9Very low204 Ų204156.7 Ų156.780%0.879%0.785SS**  trans-130.8103.6158.9-78.6-82.1000111.3
386I35.5Very low36.1Very low151 Ų151156.6 Ų156.677%0.77479%0.79SS**  trans-79.2124.9165.4-63.1170.3000107.2
387I37.3Very low36.1Very low137 Ų137156.9 Ų156.970%0.70380%0.797SS**  trans-118.9106167.1-61178.9000107.9
388N37.8Very low36.2Very low148 Ų148158.2 Ų158.279%0.79180%0.798SS**  trans-92112.1165.5-98.7-12.7000108
389D38.1Very low36.1Very low146 Ų146158.3 Ų158.378%0.78180%0.798SS**  trans-112.689165.9-84.1-38.8000110
390Q34.1Very low36Very low183 Ų183155.1 Ų155.186%0.85579%0.788SS**  trans-101.299.7158.2-84.1-169.5-32.600108.6
391Y38.6Very low35.8Very low217 Ų217153.6 Ų153.685%0.85179%0.786SS**  trans-149.2149.9164-100.5-76.6000113.2
392N36.3Very low35.5Very low143 Ų143153.5 Ų153.577%0.76579%0.788SS**  trans74.672.7167-63.4-14.5000119
393N37.1Very low35.8Very low142 Ų142149.8 Ų149.876%0.75979%0.788SS**  14.3141.3108.9-88.8-11.1000119.6
394N37.3Very low35.9Very low133 Ų133152.5 Ų152.571%0.71179%0.787SS**  trans67.7101.8148.2-57.9-11000118.3
395N37.2Very low35.8Very low167 Ų167153.2 Ų153.289%0.89379%0.789SS**  -159.2139.1113.8-99.5-35.3000112.9
396N35.6Very low36Very low151 Ų151152.3 Ų152.381%0.80779%0.785SS**  trans-76142.4-179.7-63.9-43.8000111.7
397T35.4Very low36.1Very low139 Ų139151.2 Ų151.285%0.85378%0.781SS**  trans-153.5105.51396.70000110.3
398I35.1Very low36.3Very low147 Ų147151.6 Ų151.675%0.75479%0.785SS**  trans-86.8130.3164.8-65.6167000106.9
399L35Very low36.4Very low165 Ų165151.2 Ų151.286%0.86478%0.783SS**  trans-155.795.9160.7-111.5150.3000110.7
400S31.8Very low36.5Very low85 Ų85151.4 Ų151.459%0.59478%0.784SS**  trans-72.2156.4169.4-46.70000111.2
401N33Very low36.7Very low153 Ų153146.6 Ų146.682%0.81877%0.77SS**  trans134.2112.1143.5-67.7-16.7000113.8
402S32.8Very low36.8Very low121 Ų121142.5 Ų142.585%0.84676%0.763SS**  166.380.9121.1-77.30000111.7
403T36.9Very low36.9Very low135 Ų135142.2 Ų142.283%0.82876%0.762SS**  trans-78.3123.2158.5-46.90000107.7I405T403-I405 HydrophobicContact CG2-CG1 4.3Å
404R37.5Very low37Very low205 Ų205141.5 Ų141.577%0.77476%0.762SS**  trans-110.790.1180-149.1-178-151.8-161.63.3110.5Y406R404-Y406 HydrophobicContact CG-CD2 4.03Å; R404-Y406 HydrophobicContact CG-CE2 3.96Å
405I36.7Very low37.1Very low146 Ų146140.6 Ų140.675%0.74976%0.762SS**  trans-88.5118168.1-61.7172.2000107.1T403T403-I405 HydrophobicContact CG2-CG1 4.3Å
406Y36.6Very low37Very low184 Ų184138.6 Ų138.672%0.72276%0.756SS**  trans-108.4106.8163.7-94.6-80.6000108.7R404R404-Y406 HydrophobicContact CG-CD2 4.03Å; R404-Y406 HydrophobicContact CG-CE2 3.96Å
407N38.3Very low37.1Very low129 Ų129136.9 Ų136.969%0.6975%0.751SS**  trans-87.3126.4165.6-164.511.6000107.2
408N40.5Very low37.2Very low144 Ų144136.9 Ų136.977%0.7775%0.746SS**  trans-142.586.7172.2-160.521.1000110N410N408-N410 PolarHBondContact O-N 3.33Å
409N40.3Very low37.5Very low141 Ų141136.1 Ų136.175%0.75474%0.743SS**  trans-67.4119163.8-73.3-23.7000108.2
410N41.1Very low37.6Very low150 Ų150135.5 Ų135.580%0.80274%0.741SS**  trans-138.3143.8149.6-149.31.1000110.7N408N408-N410 PolarHBondContact O-N 3.33Å
411S38.4Very low38.1Very low81 Ų81137.1 Ų137.157%0.56675%0.752SS**  trans-99.8178.4-159.951.50000113.1
412N40.3Very low38.4Very low132 Ų132136.9 Ų136.971%0.70675%0.751SS**  trans78.1143.9165.7-46.3-39.4000114.2
413N38.6Very low38.8Very low137 Ų137139.1 Ų139.173%0.73375%0.754SS**  cis171.3177.4-19.3-106.3-19.4000103.6
414T37.8Very low39Very low126 Ų126140.5 Ų140.577%0.77376%0.755SS**  trans72.598.2174.467.10000114.8
415T39.5Very low39Very low115 Ų115133.9 Ų133.971%0.70675%0.751SS**  82.5123.961.960.70000114.8
416T35.5Very low39.1Very low124 Ų124137.9 Ų137.976%0.76176%0.758SS**  trans64.3144.8144.3540000117.9
417T38.1Very low39.1Very low115 Ų115135.7 Ų135.771%0.70676%0.758SS**  cis-162.4142.59.8-1.30000110.4
418N38.1Very low39.4Very low139 Ų139136.2 Ų136.274%0.74376%0.761SS**  39148128.9-82.9-0.2000125
419N39.8Very low39.6Very low131 Ų131136.4 Ų136.470%0.70176%0.761SS**  trans96.799.6144.7-65-15.7000120.6
420N37.1Very low39.6Very low152 Ų152135 Ų13581%0.81376%0.759SS**  39.5116.7117.2-61.2-6.1000119.7
421S43.4Very low39.8Very low120 Ų120137 Ų13784%0.83976%0.764SS**  -147.5124.6129.256.90000111.1
422N39.9Very low39.7Very low147 Ų147137.6 Ų137.679%0.78677%0.768SS**  trans-69.5148.8172.1-59.7-44.9000109.5
423N39.6Very low39.8Very low169 Ų169139.6 Ų139.690%0.90477%0.773SS**  trans-145.2121.1147.6-127.3-14.9000111
424L42.9Very low39.8Very low164 Ų164143.3 Ų143.386%0.85978%0.778SS**  trans-77.5147177.1-73.878.2000109.4
425G36.4Very low40Very low66 Ų66142.4 Ų142.468%0.6878%0.776SS**  trans-170.882.8178.200000114.1
426Y39.3Very low40.1Very low229 Ų229142.6 Ų142.690%0.89877%0.772SS**  trans67.8119.4162.2-76.3-92.2000119.9
427N37.1Very low40.5Very low138 Ų138145 Ų14574%0.73877%0.774SS**  trans-58.5148.8156.8-40.6-55.5000108.7
428D44.5Very low40.8Very low140 Ų140148.3 Ų148.375%0.74978%0.779SS**  -172.7152.173-95.1-40.9000112.7
429I44.3Very low41.4Very low148 Ų148151 Ų15176%0.75978%0.784SS**  trans68.4112.5162.5-57.5154.5000117.2E431I429-E431 PolarHBondContact O-N 3.32Å
430P40.9Very low41.8Very low111 Ų111156.3 Ų156.372%0.72179%0.794SS**  trans-78112.4171.131.4-31.5000110.9S432P430-S432 PolarHBondContact O-N 3.33Å
431E45.2Very low42.1Very low192 Ų192155.6 Ų155.690%0.89780%0.795SS**  trans-74.753.1173.8-157.8172.2-146.400111.9I429 Q433I429-E431 PolarHBondContact O-N 3.32Å; E431-Q433 PolarHBondContact O-N 3.38Å; E431-Q433 VanDerWaalsContact O-N 3.08Å
432S36.3Very low42.9Very low94 Ų94159.3 Ų159.366%0.65780%0.796SS**  trans-83.842.8177.765.60000112.2P430P430-S432 PolarHBondContact O-N 3.33Å
433Q42.1Very low43.4Very low174 Ų174156.3 Ų156.381%0.81379%0.792SS**  trans-93.3111.8168.6-72.8-161.24.800110.1E431 C435E431-Q433 PolarHBondContact O-N 3.38Å; E431-Q433 VanDerWaalsContact O-N 3.08Å; Q433-C435 PolarHBondContact O-N 3.37Å
434Y39.1Very low43.9Very low215 Ų215159.4 Ų159.484%0.84379%0.791SS**  trans-48.587.8179-71.7-101.7000113.3I436Y434-I436 VanDerWaalsContact C-N 3.25Å; Y434-I436 PolarHBondContact O-N 3.38Å
435C41.5Very low44.5Very low107 Ų107162.5 Ų162.572%0.72379%0.791SS**  trans-71.785.9162.344.30000108.6Q433 Q437Q433-C435 PolarHBondContact O-N 3.37Å; C435-Q437 PolarHBondContact O-N 3.27Å
436I42.1Very low45.2Very low120 Ų120165.6 Ų165.662%0.61580%0.797SS**  trans-63.489.3171.7-59177.4000108Y434 F438Y434-I436 VanDerWaalsContact C-N 3.25Å; Y434-I436 PolarHBondContact O-N 3.38Å; I436-F438 HydrophobicContact CB-CE2 4.39Å; I436-F438 HydrophobicContact CG2-CD2 4.24Å; I436-F438 HydrophobicContact CG2-CE1 4.27Å; I436-F438 HydrophobicContact CG2-CE2 3.96Å; I436-F438 HydrophobicContact CG2-CZ 3.97Å; I436-F438 WeakPolarHBondContact O-CD2 3.18Å; I436-F438 PolarHBondContact O-N 2.88Å
437Q43.3Very low45.4Very low173 Ų173159.3 Ų159.381%0.80879%0.787SS**  trans-67.599.1171.4-67.5-171.7600108.1C435 K439C435-Q437 PolarHBondContact O-N 3.27Å; Q437-K439 PolarHBondContact O-N 3.29Å
438F43.1Very low45.7Very low186 Ų186158 Ų15882%0.81679%0.788SS**  trans-65.382.2172-72.8-82.8000110.4I436 R440I436-F438 HydrophobicContact CB-CE2 4.39Å; I436-F438 HydrophobicContact CG2-CD2 4.24Å; I436-F438 HydrophobicContact CG2-CE1 4.27Å; I436-F438 HydrophobicContact CG2-CE2 3.96Å; I436-F438 HydrophobicContact CG2-CZ 3.97Å; I436-F438 WeakPolarHBondContact O-CD2 3.18Å; I436-F438 PolarHBondContact O-N 2.88Å; F438-R440 PolarHBondContact O-N 3.11Å
439K52.3Low45.7Very low194 Ų194155.5 Ų155.584%0.84378%0.782SS**  trans-59.8100.9171.8-156.2171.7-169.8173.70107Q437 V441Q437-K439 PolarHBondContact O-N 3.29Å; K439-V441 PolarHBondContact O-N 2.69Å
440R47.8Very low45.6Very low244 Ų244154 Ų15492%0.92178%0.784SS**  trans-5797.4-179.2-87.3-176.4171.3169.6-0.5109.7F438 K442F438-R440 PolarHBondContact O-N 3.11Å; R440-K442 PolarHBondContact O-N 2.79Å
441V43.9Very low45.8Very low137 Ų137156.7 Ų156.783%0.8379%0.787SS**  trans-65.1101.4170.5-178.50000107K439 A443K439-V441 PolarHBondContact O-N 2.69Å; V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.98Å
442K59.6Low45.8Very low197 Ų197154.4 Ų154.486%0.85778%0.781SS**  trans-72.786.9177.7-170.1177.8-173.4176.70107.8R440 R444R440-K442 PolarHBondContact O-N 2.79Å; K442-R444 PolarHBondContact O-N 3.07Å
443A50.8Low46.2Very low84 Ų84156.7 Ų156.769%0.69479%0.786SS**  trans-49.3109.6177.900000109.7V441 R445V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.98Å; A443-R445 PolarHBondContact O-N 2.7Å
444R49.2Very low46.4Very low234 Ų234158.7 Ų158.788%0.88379%0.787SS**  trans-61.9109.5167.6-93.1-179.5165.8168.1-4.8106K442 T446K442-R444 PolarHBondContact O-N 3.07Å; R444-T446 VanDerWaalsContact C-N 3.3Å; R444-T446 PolarHBondContact O-N 3.3Å
445R56.3Low46.9Very low230 Ų230156.3 Ų156.387%0.86879%0.79SS**  trans-63.397.3164.4-80.9-179.5158.7-174.9-8.8107.7A443 S447A443-R445 PolarHBondContact O-N 2.7Å; R445-S447 PolarHBondContact O-N 2.86Å
446T51.3Low47.3Very low131 Ų131160.3 Ų160.380%0.80479%0.794SS**  trans-71.965.6155.947.50000108.1R444 S448R444-T446 VanDerWaalsContact C-N 3.3Å; R444-T446 PolarHBondContact O-N 3.3Å; T446-S448 PolarHBondContact O-N 3.15Å
447S42.6Very low47.5Very low97 Ų97162 Ų16268%0.67880%0.803SS**  trans-7585.8161.549.80000107R445 S449R445-S447 PolarHBondContact O-N 2.86Å; S447-S449 PolarHBondContact O-N 3.45Å
448S43.4Very low47.7Very low109 Ų109161 Ų16176%0.76280%0.802SS**  trans-58.7103.3163.241.70000107.7T446 S450T446-S448 PolarHBondContact O-N 3.15Å; S448-S450 PolarHBondContact O-N 2.69Å; S448-S450 VanDerWaalsContact O-N 3.12Å
449S44Very low47.9Very low89 Ų89161.1 Ų161.162%0.62280%0.802SS**  trans-75.497.3176.1-173.60000108.9S447 Q451S447-S449 PolarHBondContact O-N 3.45Å; S449-Q451 PolarHBondContact O-N 3.03Å; S449-Q451 PolarHBondContact OG-N 3.14Å
450S43.7Very low47.7Very low116 Ų116159.2 Ų159.281%0.81180%0.801SS**  trans-83.348.1159.548.60000110.7S448 N452S448-S450 PolarHBondContact O-N 2.69Å; S448-S450 VanDerWaalsContact O-N 3.12Å; S450-N452 PolarHBondContact O-N 3.27Å
451Q43.2Very low47.4Very low168 Ų168159.3 Ų159.379%0.78580%0.801SS**  trans-82.672.8159-74-168.5-76.300109.4S449S449-Q451 PolarHBondContact O-N 3.03Å; S449-Q451 PolarHBondContact OG-N 3.14Å
452N46.7Very low47.4Very low143 Ų143159.2 Ų159.277%0.76580%0.795SS**  trans-170.4110.7158.2-96-19.6000106.9S450S450-N452 PolarHBondContact O-N 3.27Å
453D44.4Very low46.5Very low142 Ų142158.4 Ų158.476%0.75979%0.792SS**SBendtrans171.1-18.9151.4-90.5-21.8000112.7N455 K456D453-N455 PolarHBondContact O-N 2.94Å; D453-K456 PolarHBondContact O-N 2.89Å
454Y45.5Very low46.1Very low216 Ų216161.4 Ų161.485%0.84780%0.796SS**THydrogen-bonded Turntrans-61.8-1.9178.8-98.2-84.9000116.4
455N50.2Low45.8Very low166 Ų166159.8 Ų159.889%0.88880%0.795SS**THydrogen-bonded Turntrans-100.24.5-178.9-86.3-11.9000115.1D453D453-N455 PolarHBondContact O-N 2.94Å
456K48.9Very low45.3Very low190 Ų190157.3 Ų157.383%0.82679%0.794SS**SBendtrans-102.9-12.9-178.5-103.6-176.7176.5-178.80117.1D453D453-K456 PolarHBondContact O-N 2.89Å
457I47.3Very low44.9Very low157 Ų157160.2 Ų160.281%0.80580%0.798SS**SBendtrans-102.6-22.2-172.5-61.8177.9000113.5K459I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 3Å
458I48Very low45Very low150 Ų150163.7 Ų163.777%0.76981%0.808SS**THydrogen-bonded Turntrans-87.457.4-173.8-42.2-179.9000112.1
459K47.5Very low45.1Very low190 Ų190165.7 Ų165.783%0.82681%0.809SS**THydrogen-bonded Turntrans-129-10.6173.8-92.7-168.4173.4-173.90117.2I457I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 3Å
460N46.9Very low45.1Very low153 Ų153168.6 Ų168.682%0.81881%0.812SS**SBendtrans-120.740.2-174.8-75.30.7000114.8
461R42.1Very low45.3Very low246 Ų246170 Ų17093%0.92881%0.811SS**  trans-128.591.1161.5-79.6-169.7-179.31662111
462I43.7Very low45.3Very low135 Ų135168.8 Ų168.869%0.69281%0.805SS**  trans-96.6149.7162.4-44.2177.5000106.3
463F41.1Very low45Very low181 Ų181168.4 Ų168.479%0.79480%0.802SS**  trans69.9135.6-179.7-56.8-82.3000114
464N41.2Very low44.9Very low147 Ų147169 Ų16979%0.78680%0.8SS**  cis-120.3155.818.5-77.4-40.9000114.7
465K43.6Very low44.9Very low199 Ų199162.6 Ų162.687%0.86579%0.787SS**  trans-83.6112.8166.1-69171.7174.4175.60108.9
466E46.4Very low44.4Very low179 Ų179162.2 Ų162.284%0.83678%0.777SS**  trans-161.9-19.7164.3-122.2158.8-14700116.9L468E466-L468 PolarHBondContact O-N 3.25Å
467Q42.4Very low43.9Very low191 Ų191160.7 Ų160.789%0.89378%0.777SS**  trans-80.420.4-175.1-82.6-178.1-21.200116.5I469Q467-I469 VanDerWaalsContact C-N 3.25Å; Q467-I469 PolarHBondContact O-N 3.27Å; Q467-I469 VanDerWaalsContact O-N 3.1Å
468L44.1Very low43.4Very low170 Ų170163.6 Ų163.689%0.8978%0.78SS**THydrogen-bonded Turntrans-78.79.9-168.2-116.6164.8000116.1E466E466-L468 PolarHBondContact O-N 3.25Å
469I45.2Very low42.7Very low152 Ų152161.5 Ų161.578%0.77978%0.778SS**THydrogen-bonded Turntrans-111.4-22.2-172.9-64.3178.3000113.4Q467Q467-I469 VanDerWaalsContact C-N 3.25Å; Q467-I469 PolarHBondContact O-N 3.27Å; Q467-I469 VanDerWaalsContact O-N 3.1Å
470H45.4Very low42.2Very low149 Ų149157.6 Ų157.669%0.6978%0.775SS**G310 helixtrans-85-20.5-163.5-135-40.3000116.5
471D46.6Very low41.7Very low146 Ų146157.6 Ų157.678%0.78178%0.775SS**G310 helixtrans-83.8-13.5-172.3-78.5-17.7000115
472H43.2Very low41.3Very low143 Ų143157.5 Ų157.566%0.66277%0.774SS**G310 helixtrans-81-15.3-175.4-152.1-38.5000113.9S475H472-S475 PolarHBondContact O-OG 2.79Å
473L40.9Very low40.9Very low135 Ų135157.4 Ų157.471%0.70777%0.774SS**SBendtrans-87.7-25.9-179-79.5165.8000114.1S475L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.02Å
474Q43.5Very low40.6Very low155 Ų155155.4 Ų155.472%0.72477%0.767SS**THydrogen-bonded Turntrans-75.1-16.4178.6-71-166.60.100114
475S44.4Very low40.3Very low80 Ų80154.7 Ų154.756%0.55976%0.763SS**THydrogen-bonded Turntrans-83-11.2-178.3590000114.8H472 L473H472-S475 PolarHBondContact O-OG 2.79Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.02Å
476K39.9Very low40Very low159 Ų159150.5 Ų150.569%0.69175%0.754SS**SBendtrans-99.5-8.1-177.9-84.9-174173-1790116
477L38.3Very low39.4Very low158 Ų158148.3 Ų148.383%0.82775%0.748SS**SBendtrans-92.51.9175.2-73.5170.1000113.7
478Y36.1Very low39.1Very low217 Ų217145.1 Ų145.185%0.85174%0.735SS**SBendtrans-99.218.3-173.2-110.7-76.2000115.3
479S34.8Very low38.6Very low106 Ų106145.2 Ų145.274%0.74173%0.731SS**SBendtrans-126.735.9-176.762.70000114.1
480S35.9Very low38.2Very low108 Ų108142.7 Ų142.776%0.75573%0.727SS**  trans-156.381.2162.8-155.50000111.8
481N37.3Very low37.7Very low153 Ų153140.8 Ų140.882%0.81872%0.722SS**  trans-149.371.7163.9-98.1-35.4000108.7I483N481-I483 PolarHBondContact O-N 2.99Å
482R33.4Very low37.4Very low244 Ų244141.3 Ų141.392%0.92172%0.724SS**  trans-63.496.5151.1-91.7-177.2169.2175.4-3.9105.8H484R482-H484 PolarHBondContact O-N 2.9Å
483I35.6Very low37.4Very low134 Ų134140.2 Ų140.269%0.68772%0.717SS**  trans-62.6108.6168-63.1174.1000105.4N481 D485N481-I483 PolarHBondContact O-N 2.99Å; I483-D485 PolarHBondContact O-N 3.3Å
484H33.6Very low37.9Very low138 Ų138137.3 Ų137.364%0.63970%0.702SS**  trans-65.5121.9171.4-116.1-88000107.5R482 T486 L487R482-H484 PolarHBondContact O-N 2.9Å; H484-T486 PolarHBondContact O-N 2.85Å; H484-L487 PolarHBondContact O-N 3.32Å
485D35.9Very low38.3Very low133 Ų133135.1 Ų135.171%0.71170%0.695SS**THydrogen-bonded Turntrans-66.812.1-178.6-71.2-52.9000114I483I483-D485 PolarHBondContact O-N 3.3Å
486T36.3Very low38.6Very low110 Ų110137.5 Ų137.568%0.67570%0.701SS**THydrogen-bonded Turntrans-91.6-5.7178.247.80000114.3H484H484-T486 PolarHBondContact O-N 2.85Å
487L34.2Very low39.3Very low133 Ų133132.8 Ų132.870%0.69668%0.684SS**  trans-905.6179-92.5158.9000114.9H484 H489 S490H484-L487 PolarHBondContact O-N 3.32Å; L487-H489 PolarHBondContact O-N 3.45Å; L487-H489 VanDerWaalsContact O-N 3.08Å; L487-S490 PolarHBondContact O-OG 3.25Å
488I35.8Very low39.9Very low124 Ų124129 Ų12964%0.63667%0.669SS**THydrogen-bonded Turntrans-83.128.5-180-41-179.5000111.4
489H35.1Very low40.9Very low173 Ų173126.6 Ų126.680%0.80167%0.665SS**THydrogen-bonded Turntrans-12423.9173.3-84.331.9000111.9L487 N491L487-H489 PolarHBondContact O-N 3.45Å; L487-H489 VanDerWaalsContact O-N 3.08Å; H489-N491 VanDerWaalsContact C-N 3.29Å; H489-N491 PolarHBondContact O-N 3.47Å
490S36Very low41.8Very low99 Ų99130.2 Ų130.269%0.69267%0.67SS**  trans-71.285.4170.429.30000110.2L487 L492L487-S490 PolarHBondContact O-OG 3.25Å; S490-L492 PolarHBondContact O-N 3.35Å
491N35.2Very low42.8Very low109 Ų109128 Ų12858%0.58365%0.648SS**  trans-46.4131.1156.7-76-56.8000108.5H489 F493H489-N491 VanDerWaalsContact C-N 3.29Å; H489-N491 PolarHBondContact O-N 3.47Å; N491-F493 HydrophobicContact CB-CD2 3.4Å; N491-F493 VanDerWaalsContact CB-CD2 3.4Å; N491-F493 HydrophobicContact CB-CE2 3.41Å; N491-F493 VanDerWaalsContact CB-CE2 3.41Å; N491-F493 HydrophobicContact CB-CG 4.32Å; N491-F493 HydrophobicContact CB-CZ 4.32Å; N491-F493 PolarHBondContact O-N 3.4Å
492L39.7Very low44Very low157 Ų157124.7 Ų124.782%0.82263%0.628SS**  trans-7262.9174-101.4157.1000110.3S490 I494S490-L492 PolarHBondContact O-N 3.35Å; L492-I494 PolarHBondContact O-N 3.28Å
493F43.4Very low45.8Very low120 Ų120117.5 Ų117.553%0.52661%0.612SS.*  trans-73.1115.4169.8-79-65.6000108.6N491 N495 D496N491-F493 HydrophobicContact CB-CD2 3.4Å; N491-F493 VanDerWaalsContact CB-CD2 3.4Å; N491-F493 HydrophobicContact CB-CE2 3.41Å; N491-F493 VanDerWaalsContact CB-CE2 3.41Å; N491-F493 HydrophobicContact CB-CG 4.32Å; N491-F493 HydrophobicContact CB-CZ 4.32Å; N491-F493 PolarHBondContact O-N 3.4Å; F493-N495 HydrophobicContact CB-CB 4.19Å; F493-N495 PolarHBondContact O-N 3.2Å; F493-D496 PolarHBondContact O-N 3.27Å
494I52.5Low47.3Very low73 Ų73113.4 Ų113.437%0.37459%0.591SS.*G310 helixtrans-62.8-1.4165.3-39.9-178.6000110.5L492 K505L492-I494 PolarHBondContact O-N 3.28Å; I494-K505 HydrophobicContact CG2-CB 4.49Å; I494-K505 HydrophobicContact CG2-CD 3.98Å; I494-K505 HydrophobicContact CG2-CG 3.78Å; I494-K505 VanDerWaalsContact O-CD 3.31Å; I494-K505 WeakPolarHBondContact O-CD 3.21Å; I494-K505 WeakPolarHBondContact O-CE 2.99Å; I494-K505 PolarHBondContact O-NZ 3.21Å
495N50.7Low49.2Very low109 Ų109108.6 Ų108.658%0.58357%0.569SS**G310 helixtrans-80-18.7176.5-58.8-20.7000113.5F493 K505F493-N495 HydrophobicContact CB-CB 4.19Å; F493-N495 PolarHBondContact O-N 3.2Å; N495-K505 PolarHBondContact OD1-NZ 2.73Å
496D51.5Low51.2Low130 Ų130108.2 Ų108.270%0.69556%0.561SS**G310 helixtrans-96.615.1-178.8-57.4-23.5000113F493F493-D496 PolarHBondContact O-N 3.27Å
497L55.2Low53.1Low61 Ų61107.9 Ų107.932%0.31955%0.551SS.*SBendtrans-70.9129.7169.5-126.970.1000108.7Q501 K505L497-Q501 HydrophobicContact CD2-CB 3.68Å; L497-Q501 HydrophobicContact CG-CB 4.06Å; L497-K505 HydrophobicContact CD2-CB 4.16Å
498P50.2Low55.1Low79 Ų79104.2 Ų104.251%0.51353%0.532SS..  trans-57.2144.2177.423.6-33.5000110.4E500 Q501P498-E500 PolarHBondContact O-N 3.01Å; P498-Q501 HydrophobicContact CG-CG 4.39Å; P498-Q501 PolarHBondContact O-N 3.15Å
499Q55.9Low57.2Low166 Ų166102.2 Ų102.278%0.77652%0.52SS*.G310 helixtrans-56.4-27.4-167.1-152.8172.315.200113.6Q501 E502Q499-Q501 PolarHBondContact O-N 3.3Å; Q499-Q501 VanDerWaalsContact O-N 3.16Å; Q499-E502 PolarHBondContact O-N 2.9Å
500E53.8Low59.4Low181 Ų18197.6 Ų97.685%0.84651%0.507SS*.G310 helixtrans-60.1-17.9172.4-60.5-175149.500114.6P498P498-E500 PolarHBondContact O-N 3.01Å
501Q57.8Low61.4Low61 Ų6195.7 Ų95.729%0.28549%0.485SS..G310 helixtrans-102.310.3179-62-167.1800114.1L497 P498 Q499 P503 I504 K505L497-Q501 HydrophobicContact CD2-CB 3.68Å; L497-Q501 HydrophobicContact CG-CB 4.06Å; P498-Q501 HydrophobicContact CG-CG 4.39Å; P498-Q501 PolarHBondContact O-N 3.15Å; Q499-Q501 PolarHBondContact O-N 3.3Å; Q499-Q501 VanDerWaalsContact O-N 3.16Å; Q501-P503 VanDerWaalsContact C-CD 3.43Å; Q501-P503 VanDerWaalsContact C-N 3.34Å; Q501-I504 HydrophobicContact CB-CB 4.44Å; Q501-I504 HydrophobicContact CB-CD1 4.31Å; Q501-I504 HydrophobicContact CG-CD1 4.16Å; Q501-I504 WeakPolarHBondContact O-CA 3.47Å; Q501-I504 WeakPolarHBondContact O-CB 3.5Å; Q501-I504 PolarHBondContact O-N 3.24Å; Q501-K505 PolarHBondContact O-N 3.07Å
502E62.2Low63.6Low85 Ų8594.2 Ų94.240%0.39748%0.476SS..Hα-helixtrans-45.1-44.8171.7-100.5-151-151.900115.7Q499 I504 K505 K506Q499-E502 PolarHBondContact O-N 2.9Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 PolarHBondContact O-N 2.99Å; E502-K505 PolarHBondContact O-N 3.37Å; E502-K506 WeakPolarHBondContact O-CB 3.39Å; E502-K506 WeakPolarHBondContact O-CG 3.21Å; E502-K506 PolarHBondContact O-N 3.47Å; E502-K506 WeakPolarHBondContact OE2-CE 3.49Å; E502-K506 IonicContact OE2-NZ 3.3Å; E502-K506 PolarHBondContact OE2-NZ 2.79Å
503P71.1Confident65.6Low92 Ų9294.4 Ų94.460%0.59747%0.47SS*.Hα-helixtrans-65.6-31.8177.324.1-34000112.8Q501 H507Q501-P503 VanDerWaalsContact C-CD 3.43Å; Q501-P503 VanDerWaalsContact C-N 3.34Å; P503-H507 VanDerWaalsContact O-CB 3.26Å; P503-H507 WeakPolarHBondContact O-CB 3.48Å; P503-H507 PolarHBondContact O-N 3.21Å
504I68.4Low67.3Low48 Ų4892.8 Ų92.825%0.24647%0.465CS..Hα-helixtrans-71-43.5176.5-56.3177.3000109.8Y98 Q501 E502 H507 L508Y98-I504 HydrophobicContact CD1-CD1 4.35Å; Q501-I504 HydrophobicContact CB-CB 4.44Å; Q501-I504 HydrophobicContact CB-CD1 4.31Å; Q501-I504 HydrophobicContact CG-CD1 4.16Å; Q501-I504 WeakPolarHBondContact O-CA 3.47Å; Q501-I504 WeakPolarHBondContact O-CB 3.5Å; Q501-I504 PolarHBondContact O-N 3.24Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 PolarHBondContact O-N 2.99Å; I504-H507 PolarHBondContact O-N 3.35Å; I504-L508 HydrophobicContact CG2-CD1 4.02Å; I504-L508 HydrophobicContact CG2-CG 4.45Å; I504-L508 WeakPolarHBondContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CG 3.28Å; I504-L508 PolarHBondContact O-N 2.94Å
505K72.2Confident68.3Low38 Ų3889.8 Ų89.817%0.16545%0.451CS..Hα-helixtrans-56.3-55.1173.2173.8170.7-174.6170.60111.3I494 N495 L497 Q501 E502 H507 L508 E509I494-K505 HydrophobicContact CG2-CB 4.49Å; I494-K505 HydrophobicContact CG2-CD 3.98Å; I494-K505 HydrophobicContact CG2-CG 3.78Å; I494-K505 VanDerWaalsContact O-CD 3.31Å; I494-K505 WeakPolarHBondContact O-CD 3.21Å; I494-K505 WeakPolarHBondContact O-CE 2.99Å; I494-K505 PolarHBondContact O-NZ 3.21Å; N495-K505 PolarHBondContact OD1-NZ 2.73Å; L497-K505 HydrophobicContact CD2-CB 4.16Å; Q501-K505 PolarHBondContact O-N 3.07Å; E502-K505 PolarHBondContact O-N 3.37Å; K505-H507 VanDerWaalsContact C-N 3.29Å; K505-H507 PolarHBondContact O-N 3.47Å; K505-L508 PolarHBondContact O-N 3.14Å; K505-E509 WeakPolarHBondContact CE-OE1 3.41Å; K505-E509 HydrophobicContact CG-CG 4.43Å; K505-E509 WeakPolarHBondContact CG-OE1 3.36Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 WeakPolarHBondContact O-CG 3.29Å; K505-E509 PolarHBondContact O-N 2.88Å
506K77.6Confident69.4Low125 Ų12588.7 Ų88.754%0.54345%0.448SS..Hα-helixtrans-58.8-38.6178.9-76.1167.2172.5162.20112.2E502 S510E502-K506 WeakPolarHBondContact O-CB 3.39Å; E502-K506 WeakPolarHBondContact O-CG 3.21Å; E502-K506 PolarHBondContact O-N 3.47Å; E502-K506 WeakPolarHBondContact OE2-CE 3.49Å; E502-K506 IonicContact OE2-NZ 3.3Å; E502-K506 PolarHBondContact OE2-NZ 2.79Å; K506-S510 WeakPolarHBondContact O-CB 3.33Å; K506-S510 PolarHBondContact O-N 2.95Å
507H76Confident70.4Confident102 Ų10285.4 Ų85.447%0.47243%0.432SS..Hα-helixtrans-66.7-45.5175.6-176.264.4000112.6P503 I504 K505 S510 W511P503-H507 VanDerWaalsContact O-CB 3.26Å; P503-H507 WeakPolarHBondContact O-CB 3.48Å; P503-H507 PolarHBondContact O-N 3.21Å; I504-H507 PolarHBondContact O-N 3.35Å; K505-H507 VanDerWaalsContact C-N 3.29Å; K505-H507 PolarHBondContact O-N 3.47Å; H507-S510 PolarHBondContact O-N 2.8Å; H507-W511 VanDerWaalsContact O-CB 3.31Å; H507-W511 WeakPolarHBondContact O-CB 3.43Å; H507-W511 PolarHBondContact O-N 3.18Å
508L76.7Confident71.2Confident56 Ų5686.5 Ų86.529%0.29343%0.432SS..Hα-helixtrans-64.3-42.4177.2-73.6171.1000112I504 K505 W511 L512I504-L508 HydrophobicContact CG2-CD1 4.02Å; I504-L508 HydrophobicContact CG2-CG 4.45Å; I504-L508 WeakPolarHBondContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CG 3.28Å; I504-L508 PolarHBondContact O-N 2.94Å; K505-L508 PolarHBondContact O-N 3.14Å; L508-W511 PolarHBondContact O-N 3.13Å; L508-L512 WeakPolarHBondContact O-CB 3.38Å; L508-L512 VanDerWaalsContact O-CG 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.37Å; L508-L512 PolarHBondContact O-N 3.21Å
509E80.8Confident72.2Confident82 Ų8287.2 Ų87.238%0.38344%0.435SS..Hα-helixtrans-63.5-45175.8-73.2173.4176.900111.9K505 L512 K513K505-E509 WeakPolarHBondContact CE-OE1 3.41Å; K505-E509 HydrophobicContact CG-CG 4.43Å; K505-E509 WeakPolarHBondContact CG-OE1 3.36Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 WeakPolarHBondContact O-CG 3.29Å; K505-E509 PolarHBondContact O-N 2.88Å; E509-L512 PolarHBondContact O-N 3.2Å; E509-K513 VanDerWaalsContact O-CB 3.32Å; E509-K513 WeakPolarHBondContact O-CB 3.38Å; E509-K513 PolarHBondContact O-N 2.82Å
510S80.7Confident72.9Confident76 Ų7685.9 Ų85.953%0.53143%0.432SS..Hα-helixtrans-59.5-47.1174.5-177.80000111.7K506 H507 K513 E514K506-S510 WeakPolarHBondContact O-CB 3.33Å; K506-S510 PolarHBondContact O-N 2.95Å; H507-S510 PolarHBondContact O-N 2.8Å; S510-K513 PolarHBondContact O-N 2.98Å; S510-E514 PolarHBondContact O-N 2.98Å
511W78.9Confident73.6Confident59 Ų5982.3 Ų82.322%0.22342%0.415CS..Hα-helixtrans-66.2-40.1179.8-170.277.6000112.7W87 H507 L508 E514 A515W87-W511 AromaticContact NE1-CH2 3.65Å; W87-W511 AromaticContact NE1-CZ3 3.95Å; H507-W511 VanDerWaalsContact O-CB 3.31Å; H507-W511 WeakPolarHBondContact O-CB 3.43Å; H507-W511 PolarHBondContact O-N 3.18Å; L508-W511 PolarHBondContact O-N 3.13Å; W511-E514 PolarHBondContact O-N 3.11Å; W511-A515 VanDerWaalsContact O-CB 3.29Å; W511-A515 WeakPolarHBondContact O-CB 3.5Å; W511-A515 PolarHBondContact O-N 2.86Å
512L80.8Confident73.5Confident78 Ų7882.8 Ų82.841%0.40844%0.436SS..Hα-helixtrans-64.4-40.8173.4-74.6169.2000111.6L508 E509 A515 V516L508-L512 WeakPolarHBondContact O-CB 3.38Å; L508-L512 VanDerWaalsContact O-CG 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.37Å; L508-L512 PolarHBondContact O-N 3.21Å; E509-L512 PolarHBondContact O-N 3.2Å; L512-A515 PolarHBondContact O-N 2.94Å; L512-V516 WeakPolarHBondContact O-CG2 3.34Å; L512-V516 PolarHBondContact O-N 3.33Å
513K82.4Confident73.5Confident161 Ų16184.8 Ų84.870%0.744%0.444SS*.Hα-helixtrans-64-42.7176.2-170.1174.9-177.9178.10111.6E509 S510 T517E509-K513 VanDerWaalsContact O-CB 3.32Å; E509-K513 WeakPolarHBondContact O-CB 3.38Å; E509-K513 PolarHBondContact O-N 2.82Å; S510-K513 PolarHBondContact O-N 2.98Å; K513-T517 WeakPolarHBondContact O-CB 3.32Å; K513-T517 PolarHBondContact O-N 3.26Å; K513-T517 PolarHBondContact O-OG1 3.48Å
514E78.8Confident72.8Confident87 Ų8785 Ų8541%0.40745%0.454SS..Hα-helixtrans-63.4-44.5172.6-168.2-174.217700111.5S510 W511 V516 T517 R518S510-E514 PolarHBondContact O-N 2.98Å; W511-E514 PolarHBondContact O-N 3.11Å; E514-V516 PolarHBondContact O-N 2.76Å; E514-T517 PolarHBondContact O-N 2.9Å; E514-T517 VanDerWaalsContact O-N 3.15Å; E514-R518 HydrophobicContact CG-CG 4.38Å; E514-R518 PolarHBondContact O-N 3.11Å; E514-R518 IonicContact OE1-CZ 3.4Å; E514-R518 IonicContact OE1-NE 3.14Å; E514-R518 PolarHBondContact OE1-NE 3.18Å; E514-R518 IonicContact OE1-NH2 2.62Å; E514-R518 PolarHBondContact OE1-NH2 2.96Å
515A72.2Confident72.1Confident10 Ų1088 Ų888%0.08347%0.469CS..Hα-helixtrans-60.3-45.2-179.900000112.8W511 L512 T519 L525W511-A515 VanDerWaalsContact O-CB 3.29Å; W511-A515 WeakPolarHBondContact O-CB 3.5Å; W511-A515 PolarHBondContact O-N 2.86Å; L512-A515 PolarHBondContact O-N 2.94Å; A515-T519 WeakPolarHBondContact O-CB 3Å; A515-T519 PolarHBondContact O-N 2.92Å; A515-T519 PolarHBondContact O-OG1 3.21Å; A515-L525 HydrophobicContact CB-CD1 4.27Å; A515-L525 HydrophobicContact CB-CD2 4.25Å
516V75.1Confident72.1Confident85 Ų8590.5 Ų90.552%0.51549%0.485SS..Hα-helixtrans-62.5-44.3173.61710000110.6L512 E514 T519 I520L512-V516 WeakPolarHBondContact O-CG2 3.34Å; L512-V516 PolarHBondContact O-N 3.33Å; E514-V516 PolarHBondContact O-N 2.76Å; V516-T519 PolarHBondContact O-N 3.37Å; V516-I520 HydrophobicContact CG1-CD1 3.7Å; V516-I520 HydrophobicContact CG1-CG1 4.43Å; V516-I520 VanDerWaalsContact O-CG1 3.32Å; V516-I520 WeakPolarHBondContact O-CG1 3.49Å; V516-I520 PolarHBondContact O-N 3.08Å
517T72.6Confident71.8Confident61 Ų6188.6 Ų88.637%0.37448%0.482SS..Hα-helixtrans-63-46.7-179.1-56.20000112.1K513 E514 T519 I520 Q521K513-T517 WeakPolarHBondContact O-CB 3.32Å; K513-T517 PolarHBondContact O-N 3.26Å; K513-T517 PolarHBondContact O-OG1 3.48Å; E514-T517 PolarHBondContact O-N 2.9Å; E514-T517 VanDerWaalsContact O-N 3.15Å; T517-T519 VanDerWaalsContact C-N 3.34Å; T517-T519 PolarHBondContact O-N 2.8Å; T517-I520 PolarHBondContact O-N 3.22Å; T517-Q521 WeakPolarHBondContact O-CB 3.43Å; T517-Q521 WeakPolarHBondContact O-CG 3.45Å; T517-Q521 PolarHBondContact O-N 3.35Å
518R71.1Confident71.6Confident85 Ų8587.9 Ų87.932%0.32148%0.482SS..Hα-helixtrans-62.8-40.1176.1-73.8176.3175.7-138.210.3112.1E514 Q521 G522 K523 L525E514-R518 HydrophobicContact CG-CG 4.38Å; E514-R518 PolarHBondContact O-N 3.11Å; E514-R518 IonicContact OE1-CZ 3.4Å; E514-R518 IonicContact OE1-NE 3.14Å; E514-R518 PolarHBondContact OE1-NE 3.18Å; E514-R518 IonicContact OE1-NH2 2.62Å; E514-R518 PolarHBondContact OE1-NH2 2.96Å; R518-Q521 CarbonylContact O-C 3.46Å; R518-Q521 PolarHBondContact O-N 2.78Å; R518-G522 PolarHBondContact O-N 3.09Å; R518-K523 PolarHBondContact O-N 3.33Å; R518-L525 HydrophobicContact CB-CD2 4.01Å; R518-L525 HydrophobicContact CB-CG 4.05Å; R518-L525 VanDerWaalsContact CD-CD2 3.41Å; R518-L525 HydrophobicContact CG-CD2 4.34Å; R518-L525 PolarHBondContact NH1-OXT 3.36Å; R518-L525 VanDerWaalsContact NH1-OXT 3.11Å
519T71Confident71.3Confident93 Ų9389.8 Ų89.857%0.57149%0.493SS*.Hα-helixtrans-62.2-44.5176.4-55.50000111.6A515 V516 T517 Q521 G522A515-T519 WeakPolarHBondContact O-CB 3Å; A515-T519 PolarHBondContact O-N 2.92Å; A515-T519 PolarHBondContact O-OG1 3.21Å; V516-T519 PolarHBondContact O-N 3.37Å; T517-T519 VanDerWaalsContact C-N 3.34Å; T517-T519 PolarHBondContact O-N 2.8Å; T519-Q521 VanDerWaalsContact C-N 3.32Å; T519-Q521 PolarHBondContact O-N 2.88Å; T519-G522 PolarHBondContact O-N 2.94Å
520I70Confident70.7Confident138 Ų13890.3 Ų90.371%0.70850%0.5SS*.Hα-helixtrans-64-38.1175.5-68.1166.8000111.1V516 T517 G522V516-I520 HydrophobicContact CG1-CD1 3.7Å; V516-I520 HydrophobicContact CG1-CG1 4.43Å; V516-I520 VanDerWaalsContact O-CG1 3.32Å; V516-I520 WeakPolarHBondContact O-CG1 3.49Å; V516-I520 PolarHBondContact O-N 3.08Å; T517-I520 PolarHBondContact O-N 3.22Å; I520-G522 PolarHBondContact O-N 2.84Å
521Q68.7Low70.1Confident106 Ų10691.2 Ų91.250%0.49550%0.498SS..THydrogen-bonded Turntrans-75.10.7177.3-69.8-179.211.900114.3T517 R518 T519 K523T517-Q521 WeakPolarHBondContact O-CB 3.43Å; T517-Q521 WeakPolarHBondContact O-CG 3.45Å; T517-Q521 PolarHBondContact O-N 3.35Å; R518-Q521 CarbonylContact O-C 3.46Å; R518-Q521 PolarHBondContact O-N 2.78Å; T519-Q521 VanDerWaalsContact C-N 3.32Å; T519-Q521 PolarHBondContact O-N 2.88Å; Q521-K523 HydrophobicContact CB-CD 4.14Å; Q521-K523 HydrophobicContact CB-CG 4.12Å; Q521-K523 PolarHBondContact O-N 3.28Å; Q521-K523 VanDerWaalsContact O-N 3.15Å
522G55.7Low69.4Low71 Ų7193.5 Ų93.573%0.73252%0.518SS*.THydrogen-bonded Turntrans63.415.5-175.700000114.1R518 T519 I520R518-G522 PolarHBondContact O-N 3.09Å; T519-G522 PolarHBondContact O-N 2.94Å; I520-G522 PolarHBondContact O-N 2.84Å
523K61.8Low68.5Low127 Ų12794.7 Ų94.755%0.55253%0.526SS*.  trans-87.1132.7-179.9-70.1176.6-176.4165.20109.4R518 Q521R518-K523 PolarHBondContact O-N 3.33Å; Q521-K523 HydrophobicContact CB-CD 4.14Å; Q521-K523 HydrophobicContact CB-CG 4.12Å; Q521-K523 PolarHBondContact O-N 3.28Å; Q521-K523 VanDerWaalsContact O-N 3.15Å
524A56.8Low67.4Low98 Ų9889.2 Ų89.281%0.8151%0.511SS*.  trans-58.3140.7171.300000110.6
525L55Low66.4Low109 Ų10989.4 Ų89.457%0.57152%0.521SS*.  trans-86.20-171.8-101.6164.7000113.8A515 R518A515-L525 HydrophobicContact CB-CD1 4.27Å; A515-L525 HydrophobicContact CB-CD2 4.25Å; R518-L525 HydrophobicContact CB-CD2 4.01Å; R518-L525 HydrophobicContact CB-CG 4.05Å; R518-L525 VanDerWaalsContact CD-CD2 3.41Å; R518-L525 HydrophobicContact CG-CD2 4.34Å; R518-L525 PolarHBondContact NH1-OXT 3.36Å; R518-L525 VanDerWaalsContact NH1-OXT 3.11Å

Retrieved 525 of 525 residues in 458.9 ms (Link to these results)