A0A5K4EKR2_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EKR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low31.6Very low225 Ų225145.4 Ų145.4100%1.10878%0.777SS**  095.30-167.11737400107.2
2V31.7Very low31.4Very low134 Ų134143.6 Ų143.681%0.81277%0.774SS**  trans-104.7108.5179.6177.90000106.3I4V2-I4 HydrophobicContact CG1-CG1 4.42Å; V2-I4 PolarHBondContact O-N 3.19Å
3V31Very low31.4Very low110 Ų110144.1 Ų144.167%0.66777%0.772SS**  trans-81105.4178.6179.20000107.1Q5V3-Q5 HydrophobicContact CG1-CG 4.4Å; V3-Q5 PolarHBondContact O-N 3.04Å
4I31Very low31.1Very low141 Ų141144.1 Ų144.172%0.72377%0.772SS**  trans-84.199.2172.4-58.1174.9000106.2V2 T6V2-I4 HydrophobicContact CG1-CG1 4.42Å; V2-I4 PolarHBondContact O-N 3.19Å; I4-T6 PolarHBondContact O-N 3.28Å; I4-T6 VanDerWaalsContact O-N 3.09Å
5Q29.7Very low31Very low170 Ų170143 Ų14379%0.79477%0.772SS**  trans-70.199.3170.3-84.4176.1-3400108.7V3 N7V3-Q5 HydrophobicContact CG1-CG 4.4Å; V3-Q5 PolarHBondContact O-N 3.04Å; Q5-N7 PolarHBondContact O-N 3Å
6T31.9Very low30.8Very low111 Ų111143.3 Ų143.368%0.68177%0.771SS**  trans-73.6106.2165.448.70000107.7I4 T8I4-T6 PolarHBondContact O-N 3.28Å; I4-T6 VanDerWaalsContact O-N 3.09Å; T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.49Å
7N27.7Very low30.4Very low145 Ų145144.6 Ų144.678%0.77577%0.771SS**  trans-62.597.3169.1-74.9-26.7000108.5Q5 H9Q5-N7 PolarHBondContact O-N 3Å; N7-H9 PolarHBondContact O-N 3.37Å; N7-H9 VanDerWaalsContact O-N 3.11Å
8T33.8Very low30.2Very low115 Ų115142.7 Ų142.771%0.70677%0.771SS**  trans-67.299.8164.842.60000107.3T6 D10T6-T8 VanDerWaalsContact C-N 3.34Å; T6-T8 PolarHBondContact O-N 3.49Å; T8-D10 PolarHBondContact O-N 3.32Å
9H31.7Very low29.8Very low167 Ų167142.5 Ų142.577%0.77377%0.77SS**  trans-70.4119.7159.3-84-15.1000107.6N7 N11N7-H9 PolarHBondContact O-N 3.37Å; N7-H9 VanDerWaalsContact O-N 3.11Å; H9-N11 VanDerWaalsContact C-N 3.33Å; H9-N11 PolarHBondContact O-N 3.39Å
10D33.4Very low29.8Very low146 Ų146143.6 Ų143.678%0.78178%0.775SS**  trans-54.891.9175.4-63.9-49.5000109.9T8 V12T8-D10 PolarHBondContact O-N 3.32Å; D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.33Å
11N30.7Very low29.5Very low135 Ų135146.6 Ų146.672%0.72278%0.781SS**  trans-70.595161.6-81.4-23.9000106.4H9 M13H9-N11 VanDerWaalsContact C-N 3.33Å; H9-N11 PolarHBondContact O-N 3.39Å; N11-M13 PolarHBondContact O-N 3.49Å
12V29.5Very low29.1Very low124 Ų124144.5 Ų144.575%0.75277%0.769SS**  trans-60.787.6161.8-179.30000106.4D10 D14D10-V12 VanDerWaalsContact C-N 3.27Å; D10-V12 PolarHBondContact O-N 3.33Å; V12-D14 PolarHBondContact O-N 3.27Å
13M31.3Very low28.7Very low150 Ų150147.4 Ų147.474%0.73977%0.773SS**  trans-72.4102.3168.7-76.1-75.1-169.100106.3N11 V15N11-M13 PolarHBondContact O-N 3.49Å; M13-V15 PolarHBondContact O-N 3.31Å
14D27.8Very low28.5Very low145 Ų145149 Ų14978%0.77578%0.777SS**  trans-56.9109.4166.9-85.2-31.6000108.4V12 I16V12-D14 PolarHBondContact O-N 3.27Å; D14-I16 PolarHBondContact O-N 3.14Å
15V29.6Very low28.1Very low127 Ų127148.6 Ų148.677%0.7778%0.776SS**  trans-66.694.9177.6176.90000107.9M13 Q17M13-V15 PolarHBondContact O-N 3.31Å; V15-Q17 HydrophobicContact CG1-CG 4.35Å; V15-Q17 PolarHBondContact O-N 2.98Å
16I27.2Very low28.1Very low148 Ų148146.6 Ų146.676%0.75978%0.775SS**  trans-85.495162.3-58179.4000106.4D14 S18D14-I16 PolarHBondContact O-N 3.14Å; I16-S18 PolarHBondContact O-N 2.93Å
17Q24.2Very low27.7Very low165 Ų165149.2 Ų149.277%0.77178%0.779SS**  trans-49.4108.8165.3-89.1169.3-38.700109V15V15-Q17 HydrophobicContact CG1-CG 4.35Å; V15-Q17 PolarHBondContact O-N 2.98Å
18S26.6Very low27.7Very low111 Ų111147.5 Ų147.578%0.77678%0.779SS**  trans-113.885.5164.227.90000106.7I16 N20I16-S18 PolarHBondContact O-N 2.93Å; S18-N20 PolarHBondContact O-N 2.78Å
19D23Very low27.3Very low138 Ų138148.8 Ų148.874%0.73878%0.782SS**  trans-59.8114.1159.1-75.4-40.9000107.5
20N29.4Very low27Very low164 Ų164148.2 Ų148.288%0.87778%0.784SS**  trans-15998.9147.6-90-26.6000108.4S18S18-N20 PolarHBondContact O-N 2.78Å
21K23.4Very low26.7Very low208 Ų208147 Ų14790%0.90478%0.784SS**  trans-70.2124164.1-69.5174.8175.3177.30108.2
22E27.7Very low26.5Very low181 Ų181151.8 Ų151.885%0.84679%0.792SS**  trans-149.998.7147.6-123.1172.9-176.600108.7I24E22-I24 PolarHBondContact O-N 2.93Å
23E22.5Very low26.3Very low194 Ų194155.1 Ų155.191%0.90780%0.797SS**  trans-66.9117.6165.1-75.8172.9128.700108.5
24I27.5Very low26Very low145 Ų145155.2 Ų155.274%0.74480%0.801SS**  trans-124.2107.6154.2-58.9-178.9000107.9E22E22-I24 PolarHBondContact O-N 2.93Å
25N21.7Very low26Very low131 Ų131155.3 Ų155.370%0.70180%0.801SS**  trans-87.7113.1-178-164.54.4000108.3
26T30.8Very low25.9Very low128 Ų128153.6 Ų153.679%0.78579%0.794SS**  trans-141.994.8162.145.50000109.9S28T26-S28 PolarHBondContact O-N 2.74Å
27H22.6Very low25.9Very low166 Ų166153.2 Ų153.277%0.76979%0.794SS**  trans-55123.8158.8-77.2-56.2000110.3
28S28.3Very low26.1Very low109 Ų109153.4 Ų153.476%0.76280%0.795SS**  trans-136.3112.9151.5830000108.8T26T26-S28 PolarHBondContact O-N 2.74Å
29N23.7Very low26Very low143 Ų143153.6 Ų153.677%0.76580%0.795SS**  trans-69.5124.5173.3-68.3-42.8000108.9
30N25.8Very low26.2Very low155 Ų155154.8 Ų154.883%0.82980%0.8SS**  trans-146.7108.2155.5-104.4-33.5000109.6R32N30-R32 PolarHBondContact O-N 3.04Å
31P26.7Very low26Very low120 Ų120151.7 Ų151.778%0.77979%0.791SS**  trans-85103.9173.532.5-25.8000107.6
32R26.6Very low26.2Very low235 Ų235147.5 Ų147.589%0.88778%0.783SS**  trans-132.1103.5168.9-120.8179.3-176.3178.81110.2N30N30-R32 PolarHBondContact O-N 3.04Å
33F26.6Very low26.1Very low195 Ų195144.2 Ų144.286%0.85578%0.776SS**  trans33.4112.7149.5-76.4-86.5000118.3D35F33-D35 PolarHBondContact O-N 2.94Å
34N24.8Very low26.4Very low152 Ų152142.7 Ų142.781%0.81377%0.774SS**  trans-50.895.4164.1-65.5-29.7000112.1
35D28.5Very low26.4Very low147 Ų147140.7 Ų140.779%0.78677%0.773SS**  trans-9994147.1-80.4-26.8000106.9F33 N37F33-D35 PolarHBondContact O-N 2.94Å; D35-N37 PolarHBondContact O-N 3.45Å
36S26.3Very low26.7Very low90 Ų90139 Ų13963%0.62977%0.771SS**  trans-64.872.4170.5-65.80000109.7H38S36-H38 PolarHBondContact O-N 2.94Å
37N27.6Very low26.5Very low140 Ų140137.2 Ų137.275%0.74976%0.764SS**  trans-6794.3153.2-78.4-30.4000105.8D35 C39D35-N37 PolarHBondContact O-N 3.45Å; N37-C39 PolarHBondContact O-N 3.33Å
38H28.6Very low26.8Very low170 Ų170135.6 Ų135.679%0.78776%0.757SS**  trans-60.381.4159.6-77.4-73.2000107.4S36 L40S36-H38 PolarHBondContact O-N 2.94Å; H38-L40 PolarHBondContact O-N 3.29Å
39C24.4Very low26.8Very low115 Ų115136.9 Ų136.978%0.77776%0.755SS**  trans-57.298.2150.5-74.70000104.7N37 S41N37-C39 PolarHBondContact O-N 3.33Å; C39-S41 PolarHBondContact O-N 3.26Å
40L26.6Very low27Very low162 Ų162138.7 Ų138.785%0.84875%0.752SS**  trans-54.495.8155.8-79.3158.9000104.8H38 T42H38-L40 PolarHBondContact O-N 3.29Å; L40-T42 PolarHBondContact O-N 3.29Å
41S25.7Very low27.3Very low99 Ų99135.6 Ų135.669%0.69274%0.743SS**  trans-50.297.5159.9163.40000104.4C39 T43C39-S41 PolarHBondContact O-N 3.26Å; S41-T43 PolarHBondContact O-N 2.71Å
42T27.2Very low27.8Very low121 Ų121134.3 Ų134.374%0.74273%0.733SS**  trans-56.496.7154.529.10000102.7L40 N44L40-T42 PolarHBondContact O-N 3.29Å; T42-N44 PolarHBondContact O-N 2.92Å
43T26.1Very low28.3Very low111 Ų111128.8 Ų128.868%0.68172%0.721SS**  trans-41.2119.6159.928.60000104.2S41 S45S41-T43 PolarHBondContact O-N 2.71Å; T43-S45 PolarHBondContact O-N 3.07Å
44N28.3Very low28.8Very low163 Ų163121 Ų12187%0.87270%0.696SS**  trans-53.381.7160.1-72.4-38.5000105T42 S46T42-N44 PolarHBondContact O-N 2.92Å; N44-S46 PolarHBondContact O-N 3.04Å
45S27.1Very low29.5Very low103 Ų103119.8 Ų119.872%0.7269%0.688SS**  trans-57.5103.1154.341.40000100.7T43 S47T43-S45 PolarHBondContact O-N 3.07Å; S45-S47 PolarHBondContact O-N 2.85Å
46S27.6Very low30.2Very low95 Ų95117.2 Ų117.266%0.66468%0.675SS**  trans-48.2106.4168.554.30000103.7N44 Q48N44-S46 PolarHBondContact O-N 3.04Å; S46-Q48 PolarHBondContact O-N 3.04Å
47S27.2Very low30.6Very low91 Ų91117.8 Ų117.864%0.63667%0.671SS**  trans-61.584.2156.551.20000102.3S45 N49S45-S47 PolarHBondContact O-N 2.85Å; S47-N49 PolarHBondContact O-N 3.49Å
48Q29.3Very low31.3Very low131 Ų131116.7 Ų116.761%0.61266%0.661SS**  trans-56.886.9149.3-77.1-159.2-10.200102.7S46 Y50S46-Q48 PolarHBondContact O-N 3.04Å; Q48-Y50 HydrophobicContact CB-CE2 4.41Å; Q48-Y50 PolarHBondContact O-N 3.4Å
49N27.3Very low32.3Very low136 Ų136112.5 Ų112.573%0.72764%0.644SS**  trans-55.290155.4-73.1-33.7000102.8S47 S51S47-N49 PolarHBondContact O-N 3.49Å; N49-S51 PolarHBondContact O-N 3.07Å
50Y28.2Very low33.1Very low182 Ų182112.4 Ų112.471%0.71464%0.635SS**  trans-55.3100.7156.7-75.2-77.4000103.3Q48 T52Q48-Y50 HydrophobicContact CB-CE2 4.41Å; Q48-Y50 PolarHBondContact O-N 3.4Å; Y50-T52 PolarHBondContact O-N 2.92Å
51S33.1Very low34.1Very low89 Ų89108.8 Ų108.862%0.62262%0.616SS**  trans-67.569.6174.5170.80000107.3N49 N53 G54N49-S51 PolarHBondContact O-N 3.07Å; S51-N53 PolarHBondContact O-N 2.93Å; S51-G54 PolarHBondContact O-N 3.32Å
52T37.1Very low35.1Very low93 Ų93108.4 Ų108.457%0.57161%0.606SS**Hα-helixtrans-63.6-24.7169.943.20000110.3Y50 G54 L55Y50-T52 PolarHBondContact O-N 2.92Å; T52-G54 PolarHBondContact O-N 2.78Å; T52-G54 VanDerWaalsContact O-N 3.17Å; T52-L55 PolarHBondContact O-N 3.41Å
53N37.2Very low36Very low120 Ų120104.9 Ų104.964%0.64258%0.582SS**Hα-helixtrans-67.4-14.2177.3-65.3-10.8000114.4S51 N57S51-N53 PolarHBondContact O-N 2.93Å; N53-N57 PolarHBondContact O-ND2 3.41Å
54G36.1Very low37.1Very low32 Ų32107.3 Ų107.333%0.3358%0.584SS.*Hα-helixtrans-76.6-45.9176.600000112.5S51 T52 Q58S51-G54 PolarHBondContact O-N 3.32Å; T52-G54 PolarHBondContact O-N 2.78Å; T52-G54 VanDerWaalsContact O-N 3.17Å; G54-Q58 PolarHBondContact O-N 3.36Å
55L40.3Very low37.9Very low125 Ų125104.3 Ų104.365%0.65457%0.567SS**Hα-helixtrans-74.3-38.6-174.3-13191.7000112.3T52 N57 Q58 I59T52-L55 PolarHBondContact O-N 3.41Å; L55-N57 VanDerWaalsContact C-N 3.32Å; L55-N57 PolarHBondContact O-N 3.22Å; L55-Q58 PolarHBondContact O-N 3.06Å; L55-I59 HydrophobicContact CD2-CD1 4.2Å; L55-I59 HydrophobicContact CG-CD1 4.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.9Å
56D41.8Very low39Very low93 Ų93103.2 Ų103.250%0.49756%0.556SS.*Hα-helixtrans-64.2-37.7-177.2-77.6-24.3000112.1L60D56-L60 PolarHBondContact O-N 2.83Å
57N36.6Very low39.9Very low103 Ų103104.1 Ų104.155%0.55155%0.553SS**Hα-helixtrans-78.2-37.4177.5-75.4-31.4000112.6N53 L55 I59 L60 I61N53-N57 PolarHBondContact O-ND2 3.41Å; L55-N57 VanDerWaalsContact C-N 3.32Å; L55-N57 PolarHBondContact O-N 3.22Å; N57-I59 VanDerWaalsContact C-N 3.34Å; N57-I59 PolarHBondContact O-N 3.06Å; N57-L60 PolarHBondContact O-N 2.9Å; N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.45Å; N57-I61 PolarHBondContact O-N 2.74Å; N57-I61 VanDerWaalsContact O-N 3.14Å
58Q42.4Very low40.9Very low116 Ų116103.7 Ų103.754%0.54255%0.55SS.*Hα-helixtrans-61.8-42.7-179.6-148.979.145.900111.4G54 L55 I61 D62G54-Q58 PolarHBondContact O-N 3.36Å; L55-Q58 PolarHBondContact O-N 3.06Å; Q58-I61 PolarHBondContact O-N 2.71Å; Q58-D62 PolarHBondContact O-N 3.15Å
59I48.1Very low41.8Very low82 Ų82101.1 Ų101.142%0.42155%0.547SS..Hα-helixtrans-72.3-33.3-178.3-62.3170.5000111.6L55 N57 I61 D62 N63L55-I59 HydrophobicContact CD2-CD1 4.2Å; L55-I59 HydrophobicContact CG-CD1 4.46Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.9Å; N57-I59 VanDerWaalsContact C-N 3.34Å; N57-I59 PolarHBondContact O-N 3.06Å; I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 PolarHBondContact O-N 3.12Å; I59-D62 PolarHBondContact O-N 2.85Å; I59-N63 WeakPolarHBondContact O-CB 3.48Å; I59-N63 VanDerWaalsContact O-CG 3.24Å; I59-N63 PolarHBondContact O-N 3.22Å; I59-N63 PolarHBondContact O-ND2 2.98Å
60L41.7Very low42.8Very low113 Ų11398.6 Ų98.659%0.59253%0.533SS*.Hα-helixtrans-66.5-35.7175.3-157.380.2000111.5D56 N57 K64D56-L60 PolarHBondContact O-N 2.83Å; N57-L60 PolarHBondContact O-N 2.9Å; L60-K64 PolarHBondContact O-N 3.12Å
61I47.4Very low43.9Very low87 Ų8795.3 Ų95.345%0.44653%0.532SS..Hα-helixtrans-69-45.8175.4-63.7164.1000110.3N57 Q58 I59 N63 K64 N65N57-I61 WeakPolarHBondContact O-CD1 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.45Å; N57-I61 PolarHBondContact O-N 2.74Å; N57-I61 VanDerWaalsContact O-N 3.14Å; Q58-I61 PolarHBondContact O-N 2.71Å; I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 PolarHBondContact O-N 3.12Å; I61-N63 PolarHBondContact O-N 2.99Å; I61-K64 PolarHBondContact O-N 2.79Å; I61-K64 VanDerWaalsContact O-N 3.1Å; I61-N65 PolarHBondContact O-N 2.92Å
62D46.9Very low44.7Very low90 Ų9096.5 Ų96.548%0.48153%0.531SS..Hα-helixtrans-59.9-36.3177.2-72.4-17.4000111.9Q58 I59 N65 T66Q58-D62 PolarHBondContact O-N 3.15Å; I59-D62 PolarHBondContact O-N 2.85Å; D62-N65 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-OG1 2.97Å
63N46.2Very low45.6Very low48 Ų4899.7 Ų99.726%0.25755%0.545SS..Hα-helixtrans-65.8-36.4176.2-79.2-45.7000113.3I59 I61 L67 R85I59-N63 WeakPolarHBondContact O-CB 3.48Å; I59-N63 VanDerWaalsContact O-CG 3.24Å; I59-N63 PolarHBondContact O-N 3.22Å; I59-N63 PolarHBondContact O-ND2 2.98Å; I61-N63 PolarHBondContact O-N 2.99Å; N63-L67 WeakPolarHBondContact O-CD1 3.12Å; N63-L67 PolarHBondContact O-N 2.83Å; N63-R85 PolarHBondContact OD1-NH2 3.18Å
64K48.2Very low47.2Very low162 Ų16298.6 Ų98.670%0.70454%0.539SS*.Hα-helixtrans-72.7-42.2176.2-89.2-176175.9177.80111.4L60 I61 L67 S68L60-K64 PolarHBondContact O-N 3.12Å; I61-K64 PolarHBondContact O-N 2.79Å; I61-K64 VanDerWaalsContact O-N 3.1Å; K64-L67 PolarHBondContact O-N 3.39Å; K64-S68 PolarHBondContact O-N 3.36Å; K64-S68 PolarHBondContact O-OG 3.11Å
65N46.5Very low49.1Very low99 Ų99104.4 Ų104.453%0.52956%0.557SS.*Hα-helixtrans-68.4-36.3-177.2-68.4-15000112.6I61 D62 S68 S69I61-N65 PolarHBondContact O-N 2.92Å; D62-N65 PolarHBondContact O-N 2.76Å; N65-S68 WeakPolarHBondContact CA-OG 3.34Å; N65-S68 PolarHBondContact O-N 2.8Å; N65-S68 PolarHBondContact O-OG 3.29Å; N65-S69 PolarHBondContact O-N 3.47Å
66T49Very low50.9Low80 Ų80106.4 Ų106.449%0.49156%0.563SS.*Hα-helixtrans-71.8-32.4174.932.30000113.3D62 S68 S69D62-T66 PolarHBondContact O-N 2.76Å; D62-T66 PolarHBondContact O-OG1 2.97Å; T66-S68 VanDerWaalsContact C-N 3.3Å; T66-S68 PolarHBondContact O-N 3.26Å; T66-S69 PolarHBondContact O-N 3Å
67L47Very low52.6Low114 Ų114107.4 Ų107.460%0.59757%0.568SS**Hα-helixtrans-67.5-32174.9-102.1140000112.3N63 K64 L70N63-L67 WeakPolarHBondContact O-CD1 3.12Å; N63-L67 PolarHBondContact O-N 2.83Å; K64-L67 PolarHBondContact O-N 3.39Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å
68S49.3Very low54.7Low83 Ų83105.5 Ų105.558%0.5856%0.558SS**Hα-helixtrans-75.4-23.9176.443.80000114.8K64 N65 T66 L70K64-S68 PolarHBondContact O-N 3.36Å; K64-S68 PolarHBondContact O-OG 3.11Å; N65-S68 WeakPolarHBondContact CA-OG 3.34Å; N65-S68 PolarHBondContact O-N 2.8Å; N65-S68 PolarHBondContact O-OG 3.29Å; T66-S68 VanDerWaalsContact C-N 3.3Å; T66-S68 PolarHBondContact O-N 3.26Å; S68-L70 VanDerWaalsContact C-N 3.28Å
69S47.4Very low56.6Low76 Ų76105.3 Ų105.353%0.53156%0.559SS.*THydrogen-bonded Turntrans-85.5-2.3175.686.60000113.8N65 T66 T71N65-S69 PolarHBondContact O-N 3.47Å; T66-S69 PolarHBondContact O-N 3Å; S69-T71 PolarHBondContact O-N 2.94Å
70L47.6Very low58.3Low83 Ų83104.8 Ų104.844%0.43556%0.557SS.*THydrogen-bonded Turntrans-8024.9-176.7-133.476000113.5L67 S68 N72 L78L67-L70 WeakPolarHBondContact O-CB 3.5Å; S68-L70 VanDerWaalsContact C-N 3.28Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-L78 HydrophobicContact CD1-CD2 3.83Å; L70-L78 HydrophobicContact CD1-CG 3.98Å; L70-L78 HydrophobicContact CD2-CD2 3.27Å; L70-L78 HydrophobicContact CD2-CG 4.16Å; L70-L78 HydrophobicContact CG-CD1 4.43Å; L70-L78 HydrophobicContact CG-CD2 3.56Å; L70-L78 HydrophobicContact CG-CG 3.89Å
71T52Low60.3Low113 Ų113101.3 Ų101.369%0.69355%0.549SS*.THydrogen-bonded Turntrans-87.3-4.2169.443.20000112.8S69S69-T71 PolarHBondContact O-N 2.94Å
72N50.1Low62.1Low115 Ų115102.1 Ų102.162%0.61555%0.554SS**SBendtrans-93.2125.7-178.7-69.7-16.3000110.7L70 N74L70-N72 VanDerWaalsContact C-N 3.33Å; N72-N74 PolarHBondContact O-N 3.3Å
73N55.9Low64.1Low160 Ų160104 Ų10486%0.85656%0.555SS**  trans-58.225.8-174.1-60-44.5000116.8
74N69.7Low66.2Low97 Ų97107.5 Ų107.552%0.51957%0.568SS.*  trans-102.188.3-179.8-75.4-4.8000109.6N72 E76 L77 L78N72-N74 PolarHBondContact O-N 3.3Å; N74-E76 PolarHBondContact O-N 3.23Å; N74-E76 VanDerWaalsContact O-N 3.1Å; N74-L77 HydrophobicContact CB-CB 4.33Å; N74-L77 HydrophobicContact CB-CD1 3.94Å; N74-L77 HydrophobicContact CB-CG 4.14Å; N74-L77 PolarHBondContact O-N 3.19Å; N74-L78 PolarHBondContact O-N 3.13Å
75E77.3Confident68.2Low153 Ų153104.6 Ų104.672%0.71555%0.552SS**Hα-helixtrans-51-30.8173.5-65.6-175.116200112.6L78 I79E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.48Å; E75-L78 PolarHBondContact O-N 3.03Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.37Å; E75-I79 PolarHBondContact O-N 2.94Å
76E78.8Confident70.5Confident167 Ų167107.7 Ų107.778%0.7856%0.557SS**Hα-helixtrans-64.1-41.5176.9-69-171.6163.300113.6N74 L78 I79 D80N74-E76 PolarHBondContact O-N 3.23Å; N74-E76 VanDerWaalsContact O-N 3.1Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.97Å; E76-I79 PolarHBondContact O-N 3.16Å; E76-D80 PolarHBondContact O-N 3.08Å
77L77.2Confident72.5Confident115 Ų115108 Ų10860%0.60255%0.552SS**Hα-helixtrans-67.9-34.9178.1-73.2173.8000111.4N74 G81N74-L77 HydrophobicContact CB-CB 4.33Å; N74-L77 HydrophobicContact CB-CD1 3.94Å; N74-L77 HydrophobicContact CB-CG 4.14Å; N74-L77 PolarHBondContact O-N 3.19Å; L77-G81 PolarHBondContact O-N 3.15Å
78L79.2Confident74.6Confident62 Ų62107.7 Ų107.733%0.32555%0.551SS.*Hα-helixtrans-61.1-47.4172.7-96.6155.5000111.6L70 N74 E75 E76 G81 L82L70-L78 HydrophobicContact CD1-CD2 3.83Å; L70-L78 HydrophobicContact CD1-CG 3.98Å; L70-L78 HydrophobicContact CD2-CD2 3.27Å; L70-L78 HydrophobicContact CD2-CG 4.16Å; L70-L78 HydrophobicContact CG-CD1 4.43Å; L70-L78 HydrophobicContact CG-CD2 3.56Å; L70-L78 HydrophobicContact CG-CG 3.89Å; N74-L78 PolarHBondContact O-N 3.13Å; E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.48Å; E75-L78 PolarHBondContact O-N 3.03Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.97Å; L78-G81 PolarHBondContact O-N 3.16Å; L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 3.35Å
79I83.2Confident76.7Confident112 Ų112108.4 Ų108.457%0.57455%0.548SS*.Hα-helixtrans-64.7-44.7178.9-68.1165.7000110.7E75 E76 G81 L82 Y83E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.37Å; E75-I79 PolarHBondContact O-N 2.94Å; E76-I79 PolarHBondContact O-N 3.16Å; I79-G81 VanDerWaalsContact C-N 3.35Å; I79-G81 PolarHBondContact O-N 3.08Å; I79-L82 PolarHBondContact O-N 3.31Å; I79-Y83 WeakPolarHBondContact O-CB 3.15Å; I79-Y83 PolarHBondContact O-N 3.33Å
80D83.4Confident78.8Confident71 Ų71108.8 Ų108.838%0.3854%0.543SS..Hα-helixtrans-62-41.9176.6-175.254.4000111.8E76 L82 Y83 K84E76-D80 PolarHBondContact O-N 3.08Å; D80-L82 PolarHBondContact O-N 2.85Å; D80-Y83 PolarHBondContact O-N 3.28Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 WeakPolarHBondContact OD2-CE 3.26Å; D80-K84 IonicContact OD2-NZ 2.71Å; D80-K84 PolarHBondContact OD2-NZ 2.84Å
81G85Confident80.8Confident40 Ų40110.9 Ų110.941%0.41255%0.551SS.*Hα-helixtrans-61.2-43.6175.200000113.1L77 L78 I79 K84 R85L77-G81 PolarHBondContact O-N 3.15Å; L78-G81 PolarHBondContact O-N 3.16Å; I79-G81 VanDerWaalsContact C-N 3.35Å; I79-G81 PolarHBondContact O-N 3.08Å; G81-K84 PolarHBondContact O-N 3.08Å; G81-R85 PolarHBondContact O-N 3.28Å
82L85.2Confident82.5Confident105 Ų105112.7 Ų112.755%0.5555%0.545SS..Hα-helixtrans-66.2-38.3175.6-71.6174.7000112.1L78 I79 D80 R85 R86L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 3.35Å; I79-L82 PolarHBondContact O-N 3.31Å; D80-L82 PolarHBondContact O-N 2.85Å; L82-R85 PolarHBondContact O-N 2.73Å; L82-R86 PolarHBondContact O-N 2.94Å
83Y87.5Confident84.5Confident129 Ų129112.1 Ų112.151%0.50654%0.541SS..Hα-helixtrans-63-47.3176.1-173.8-95.3000111.3I79 D80 R85 R86 Q87I79-Y83 WeakPolarHBondContact O-CB 3.15Å; I79-Y83 PolarHBondContact O-N 3.33Å; D80-Y83 PolarHBondContact O-N 3.28Å; Y83-R85 PolarHBondContact O-N 2.74Å; Y83-R86 WeakPolarHBondContact O-CB 3.41Å; Y83-R86 PolarHBondContact O-N 3.21Å; Y83-Q87 HydrophobicContact CD1-CG 4.24Å; Y83-Q87 HydrophobicContact CE1-CG 3.9Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3Å; Y83-Q87 PolarHBondContact OH-NE2 2.81Å; Y83-Q87 VanDerWaalsContact OH-NE2 3.09Å
84K90.6Very high86.1Confident121 Ų121107.2 Ų107.253%0.52652%0.519SS..Hα-helixtrans-58.9-43.8174.2-78170.7177.1156.70112.2D80 G81 R86 Q87 L88D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 WeakPolarHBondContact OD2-CE 3.26Å; D80-K84 IonicContact OD2-NZ 2.71Å; D80-K84 PolarHBondContact OD2-NZ 2.84Å; G81-K84 PolarHBondContact O-N 3.08Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.76Å; K84-Q87 PolarHBondContact O-N 3.36Å; K84-L88 PolarHBondContact O-N 3.14Å
85R90.9Very high87.1Confident102 Ų102106.7 Ų106.739%0.38552%0.52SS..Hα-helixtrans-61.1-42.6175.9-179.8178.9-91.4164.2-5.2111.9N63 G81 L82 Y83 Q87 L88 L89N63-R85 PolarHBondContact OD1-NH2 3.18Å; G81-R85 PolarHBondContact O-N 3.28Å; L82-R85 PolarHBondContact O-N 2.73Å; Y83-R85 PolarHBondContact O-N 2.74Å; R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 2.75Å; R85-L88 PolarHBondContact O-N 3.06Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 3.24Å
86R94.2Very high87.8Confident163 Ų163104.2 Ų104.262%0.61551%0.508SS*.Hα-helixtrans-60.2-43.5175.8-180-177.4175.5-172.3-1.1111.3L82 Y83 K84 L89 L90L82-R86 PolarHBondContact O-N 2.94Å; Y83-R86 WeakPolarHBondContact O-CB 3.41Å; Y83-R86 PolarHBondContact O-N 3.21Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-R86 PolarHBondContact O-N 2.76Å; R86-L89 PolarHBondContact O-N 2.8Å; R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CG 3.22Å; R86-L90 PolarHBondContact O-N 2.8Å
87Q91.2Very high88.4Confident86 Ų86100.9 Ų100.940%0.40250%0.495SS..Hα-helixtrans-63-44.1178.8-68.4-63.4-7.300112Y83 K84 R85 L89 L90 Q91Y83-Q87 HydrophobicContact CD1-CG 4.24Å; Y83-Q87 HydrophobicContact CE1-CG 3.9Å; Y83-Q87 WeakPolarHBondContact O-CG 3.35Å; Y83-Q87 PolarHBondContact O-N 3Å; Y83-Q87 PolarHBondContact OH-NE2 2.81Å; Y83-Q87 VanDerWaalsContact OH-NE2 3.09Å; K84-Q87 PolarHBondContact O-N 3.36Å; R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 2.75Å; Q87-L89 PolarHBondContact O-N 3.39Å; Q87-L90 PolarHBondContact O-N 2.85Å; Q87-Q91 PolarHBondContact O-N 3.36Å
88L91.5Very high89Confident108 Ų108101.5 Ų101.557%0.56549%0.494SS*.Hα-helixtrans-61.6-41.4175.7-72.7168.9000112.5K84 R85 Q91 R92K84-L88 PolarHBondContact O-N 3.14Å; R85-L88 PolarHBondContact O-N 3.06Å; L88-Q91 PolarHBondContact O-N 2.81Å; L88-R92 PolarHBondContact O-N 3.05Å
89L92.6Very high89.6Confident98 Ų98104.9 Ų104.951%0.51351%0.507SS..Hα-helixtrans-65.7-40176.9-75.1170000112.3R85 R86 Q87 Q91 R92 L93R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 3.24Å; R86-L89 PolarHBondContact O-N 2.8Å; Q87-L89 PolarHBondContact O-N 3.39Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-R92 PolarHBondContact O-N 2.95Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.49Å
90L91.1Very high89.9Confident84 Ų84106.9 Ų106.944%0.4451%0.508SS..Hα-helixtrans-65.1-39.9175.7-73.3171.4000111.7R86 Q87 L93 S94R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CG 3.22Å; R86-L90 PolarHBondContact O-N 2.8Å; Q87-L90 PolarHBondContact O-N 2.85Å; L90-L93 PolarHBondContact O-N 2.72Å; L90-S94 PolarHBondContact O-N 3.42Å
91Q90.6Very high90.1Very high127 Ų127108.6 Ų108.659%0.59351%0.514SS*.Hα-helixtrans-61.5-45.2174.1-170.3177.819.700111.1Q87 L88 L89 S94 V95Q87-Q91 PolarHBondContact O-N 3.36Å; L88-Q91 PolarHBondContact O-N 2.81Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-S94 PolarHBondContact O-N 3.3Å; Q91-S94 PolarHBondContact O-OG 2.83Å; Q91-V95 PolarHBondContact O-N 2.77Å
92R88.3Confident90.3Very high152 Ų152111.7 Ų111.757%0.57452%0.518SS*.Hα-helixtrans-61.6-46.1176.1-175.1175.6178158.84.7112.5L88 L89 S94 V95 E96L88-R92 PolarHBondContact O-N 3.05Å; L89-R92 PolarHBondContact O-N 2.95Å; R92-S94 PolarHBondContact O-N 3.42Å; R92-V95 PolarHBondContact O-N 3.24Å; R92-V95 VanDerWaalsContact O-N 3.13Å; R92-E96 IonicContact NE-OE2 3.92Å; R92-E96 PolarHBondContact O-N 3.45Å
93L91.6Very high90.4Very high102 Ų102111.3 Ų111.353%0.53452%0.515SS..Hα-helixtrans-58.7-37.8176.8-77.1170.1000111.8L89 L90 V95 E96 I97L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.49Å; L90-L93 PolarHBondContact O-N 2.72Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.47Å; L93-E96 PolarHBondContact O-N 3.23Å; L93-I97 WeakPolarHBondContact O-CB 3.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.49Å
94S89.7Confident90.3Very high57 Ų57106.4 Ų106.440%0.39950%0.5SS..Hα-helixtrans-63.8-37.9176.9740000113.1L90 Q91 R92 Q98L90-S94 PolarHBondContact O-N 3.42Å; Q91-S94 PolarHBondContact O-N 3.3Å; Q91-S94 PolarHBondContact O-OG 2.83Å; R92-S94 PolarHBondContact O-N 3.42Å; S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.75Å
95V90.8Very high89.9Confident87 Ų87107.9 Ų107.953%0.52750%0.502SS..Hα-helixtrans-70.2-41.1175.5176.50000111Q91 R92 L93 I97 Q98 K99Q91-V95 PolarHBondContact O-N 2.77Å; R92-V95 PolarHBondContact O-N 3.24Å; R92-V95 VanDerWaalsContact O-N 3.13Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.47Å; V95-I97 PolarHBondContact O-N 3.05Å; V95-Q98 PolarHBondContact O-N 2.85Å; V95-K99 PolarHBondContact O-N 3.07Å
96E90.3Very high89.6Confident100 Ų100106.5 Ų106.547%0.46750%0.503SS..Hα-helixtrans-63.8-40.8178.4-149.993.5-137.900111.5R92 L93 K99 Y100R92-E96 IonicContact NE-OE2 3.92Å; R92-E96 PolarHBondContact O-N 3.45Å; L93-E96 PolarHBondContact O-N 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.11Å; E96-K99 PolarHBondContact O-N 3.1Å; E96-Y100 PolarHBondContact O-N 2.69Å
97I91.8Very high88.9Confident98 Ų98104.4 Ų104.450%0.50350%0.5SS..Hα-helixtrans-63.3-44.6175.5-70.1164.7000110.7L93 V95 K99 Y100 E101L93-I97 WeakPolarHBondContact O-CB 3.45Å; L93-I97 WeakPolarHBondContact O-CD1 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.49Å; V95-I97 PolarHBondContact O-N 3.05Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.74Å; I97-Y100 PolarHBondContact O-N 2.74Å; I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3Å
98Q90Very high88Confident127 Ų127102.6 Ų102.659%0.59349%0.492SS*.Hα-helixtrans-61.4-38.8176.2-75.3178.4-1000112.2S94 V95 E101 Q102S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 2.75Å; V95-Q98 PolarHBondContact O-N 2.85Å; Q98-E101 PolarHBondContact O-N 3.43Å; Q98-Q102 PolarHBondContact O-N 3.23Å
99K92.6Very high87.2Confident134 Ų134101.4 Ų101.458%0.58350%0.498SS*.Hα-helixtrans-64.9-40.9175.2-172.5-179.2177.9-174.90111.7V95 E96 I97 Q102 L103V95-K99 PolarHBondContact O-N 3.07Å; E96-K99 WeakPolarHBondContact O-CB 3.11Å; E96-K99 PolarHBondContact O-N 3.1Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.74Å; K99-Q102 PolarHBondContact O-N 2.73Å; K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 2.92Å
100Y89.6Confident86.5Confident154 Ų154103.7 Ų103.760%0.60451%0.509SS*.Hα-helixtrans-65-44175.5-173.7-92.8000111.8E96 I97 Q102 L103 C104E96-Y100 PolarHBondContact O-N 2.69Å; I97-Y100 PolarHBondContact O-N 2.74Å; Y100-Q102 VanDerWaalsContact C-N 3.31Å; Y100-Q102 PolarHBondContact O-N 3Å; Y100-L103 PolarHBondContact O-N 3.02Å; Y100-C104 WeakPolarHBondContact CE1-SG 3.48Å; Y100-C104 PolarHBondContact O-N 3.16Å; Y100-C104 PolarHBondContact O-SG 2.68Å
101E87.4Confident85.7Confident106 Ų106103.1 Ų103.150%0.49551%0.509SS..Hα-helixtrans-58-44174.2-74.9-179.9174.400111.3I97 Q98 C104 W105I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3Å; Q98-E101 PolarHBondContact O-N 3.43Å; E101-C104 PolarHBondContact O-N 2.99Å; E101-W105 PolarHBondContact O-N 2.85Å
102Q87.7Confident84.6Confident106 Ų106100.3 Ų100.350%0.49551%0.514SS..Hα-helixtrans-62.1-43.7175.9-173.961.345.900112.2Q98 K99 Y100 C104 W105 D106Q98-Q102 PolarHBondContact O-N 3.23Å; K99-Q102 PolarHBondContact O-N 2.73Å; Y100-Q102 VanDerWaalsContact C-N 3.31Å; Y100-Q102 PolarHBondContact O-N 3Å; Q102-C104 VanDerWaalsContact C-N 3.31Å; Q102-C104 PolarHBondContact O-N 2.79Å; Q102-W105 WeakPolarHBondContact O-CB 3.46Å; Q102-W105 PolarHBondContact O-N 2.74Å; Q102-W105 VanDerWaalsContact O-N 3.13Å; Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 VanDerWaalsContact O-CG 3.27Å; Q102-D106 PolarHBondContact O-N 3.03Å
103L87.6Confident83.4Confident96 Ų9697.4 Ų97.450%0.50351%0.513SS..Hα-helixtrans-61.7-39.1176.6-74.8169.1000112.1K99 Y100 W105 D106 E107K99-L103 WeakPolarHBondContact O-CG 3.43Å; K99-L103 PolarHBondContact O-N 2.92Å; Y100-L103 PolarHBondContact O-N 3.02Å; L103-W105 VanDerWaalsContact C-N 3.33Å; L103-W105 PolarHBondContact O-N 3.05Å; L103-D106 PolarHBondContact O-N 3.08Å; L103-E107 WeakPolarHBondContact O-CB 3.42Å; L103-E107 PolarHBondContact O-N 2.86Å
104C85.9Confident81.7Confident26 Ų2698.1 Ų98.118%0.17652%0.521CS..Hα-helixtrans-62.8-40173.7-70.70000111.8Y100 E101 Q102 E107 M108Y100-C104 WeakPolarHBondContact CE1-SG 3.48Å; Y100-C104 PolarHBondContact O-N 3.16Å; Y100-C104 PolarHBondContact O-SG 2.68Å; E101-C104 PolarHBondContact O-N 2.99Å; Q102-C104 VanDerWaalsContact C-N 3.31Å; Q102-C104 PolarHBondContact O-N 2.79Å; C104-E107 PolarHBondContact O-N 2.96Å; C104-M108 WeakPolarHBondContact O-CB 3.47Å; C104-M108 VanDerWaalsContact O-CG 3.28Å; C104-M108 WeakPolarHBondContact O-CG 3.48Å; C104-M108 PolarHBondContact O-N 2.81Å
105W82.1Confident79.9Confident152 Ų15299 Ų9958%0.57652%0.521SS*.Hα-helixtrans-64.7-42174.5-77.3113000112.4E101 Q102 L103 M108 A109E101-W105 PolarHBondContact O-N 2.85Å; Q102-W105 WeakPolarHBondContact O-CB 3.46Å; Q102-W105 PolarHBondContact O-N 2.74Å; Q102-W105 VanDerWaalsContact O-N 3.13Å; L103-W105 VanDerWaalsContact C-N 3.33Å; L103-W105 PolarHBondContact O-N 3.05Å; W105-M108 HydrophobicContact CE3-CE 4.44Å; W105-M108 HydrophobicContact CE3-SD 4.42Å; W105-M108 HydrophobicContact CZ3-CE 4.1Å; W105-M108 PolarHBondContact O-N 3.32Å; W105-A109 WeakPolarHBondContact O-CB 3.48Å; W105-A109 PolarHBondContact O-N 3.44Å
106D84.7Confident77.8Confident74 Ų7499.8 Ų99.840%0.39652%0.522SS..Hα-helixtrans-65.5-41.7177.9-64.8-13.7000110.8Q102 L103 A109 I110Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 VanDerWaalsContact O-CG 3.27Å; Q102-D106 PolarHBondContact O-N 3.03Å; L103-D106 PolarHBondContact O-N 3.08Å; D106-A109 PolarHBondContact O-N 3.06Å; D106-I110 WeakPolarHBondContact O-CD1 3.49Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.11Å
107E78.8Confident75.8Confident119 Ų119101.8 Ų101.856%0.55653%0.532SS*.Hα-helixtrans-64.6-41.2175.2-172.3175.8-171.200111.9L103 C104 A109 I110 T111L103-E107 WeakPolarHBondContact O-CB 3.42Å; L103-E107 PolarHBondContact O-N 2.86Å; C104-E107 PolarHBondContact O-N 2.96Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 3.35Å; E107-I110 PolarHBondContact O-N 3.14Å; E107-T111 HydrophobicContact CG-CG2 4.27Å; E107-T111 WeakPolarHBondContact O-CB 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.42Å; E107-T111 PolarHBondContact O-N 3.39Å; E107-T111 PolarHBondContact O-OG1 2.79Å
108M73.6Confident73.7Confident48 Ų4899.7 Ų99.724%0.23653%0.526CS..Hα-helixtrans-62.7-38.7172.6-77.6179.758.300112.1C104 W105 I110 G112 L115C104-M108 WeakPolarHBondContact O-CB 3.47Å; C104-M108 VanDerWaalsContact O-CG 3.28Å; C104-M108 WeakPolarHBondContact O-CG 3.48Å; C104-M108 PolarHBondContact O-N 2.81Å; W105-M108 HydrophobicContact CE3-CE 4.44Å; W105-M108 HydrophobicContact CE3-SD 4.42Å; W105-M108 HydrophobicContact CZ3-CE 4.1Å; W105-M108 PolarHBondContact O-N 3.32Å; M108-I110 VanDerWaalsContact C-N 3.33Å; M108-G112 WeakPolarHBondContact O-CA 3.4Å; M108-G112 PolarHBondContact O-N 2.97Å; M108-L115 HydrophobicContact CG-CD1 3.96Å; M108-L115 HydrophobicContact SD-CD1 4.01Å
109A75Confident71.3Confident83 Ų8398.4 Ų98.469%0.68652%0.523SS*.Hα-helixtrans-67.5-33.8177.400000112.2W105 D106 E107W105-A109 WeakPolarHBondContact O-CB 3.48Å; W105-A109 PolarHBondContact O-N 3.44Å; D106-A109 PolarHBondContact O-N 3.06Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 3.35Å
110I77.7Confident68.9Low146 Ų14699 Ų9975%0.74953%0.526SS*.Hα-helixtrans-77.9-46.5178.1-66.3163.3000111.6D106 E107 M108D106-I110 WeakPolarHBondContact O-CD1 3.49Å; D106-I110 VanDerWaalsContact O-CG1 3.25Å; D106-I110 WeakPolarHBondContact O-CG1 3.33Å; D106-I110 PolarHBondContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 3.14Å; M108-I110 VanDerWaalsContact C-N 3.33Å
111T74.8Confident66.6Low72 Ų7298.2 Ų98.244%0.44253%0.531SS..Hα-helixtrans-79.7-24-174.255.40000112.7E107 T113E107-T111 HydrophobicContact CG-CG2 4.27Å; E107-T111 WeakPolarHBondContact O-CB 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.42Å; E107-T111 PolarHBondContact O-N 3.39Å; E107-T111 PolarHBondContact O-OG1 2.79Å; T111-T113 WeakPolarHBondContact CB-OG1 3.35Å; T111-T113 PolarHBondContact O-N 2.84Å; T111-T113 PolarHBondContact OG1-OG1 3.07Å; T111-T113 VanDerWaalsContact OG1-OG1 3.07Å
112G67.6Low64.4Low68 Ų6895.3 Ų95.370%0.70152%0.523SS*.  trans65.11-173.300000113.6M108M108-G112 WeakPolarHBondContact O-CA 3.4Å; M108-G112 PolarHBondContact O-N 2.97Å
113T61.7Low61.8Low90 Ų9096.3 Ų96.355%0.55253%0.532SS*.  trans-93.5120.9176.751.60000108.8T111 L115T111-T113 WeakPolarHBondContact CB-OG1 3.35Å; T111-T113 PolarHBondContact O-N 2.84Å; T111-T113 PolarHBondContact OG1-OG1 3.07Å; T111-T113 VanDerWaalsContact OG1-OG1 3.07Å; T113-L115 PolarHBondContact O-N 3.47Å
114V55.6Low59.3Low117 Ų11799.2 Ų99.271%0.70954%0.543SS*.  trans-58.1128.4163179.40000106.8D116V114-D116 PolarHBondContact O-N 3.1Å
115L51.9Low56.9Low75 Ų75106.3 Ų106.339%0.39357%0.571SS.*  trans-50.8106.6172.1-102.3138.1000108.4M108 T113 E117 F120M108-L115 HydrophobicContact CG-CD1 3.96Å; M108-L115 HydrophobicContact SD-CD1 4.01Å; T113-L115 PolarHBondContact O-N 3.47Å; L115-E117 PolarHBondContact O-N 3.34Å; L115-F120 HydrophobicContact CD2-CE2 3.71Å; L115-F120 HydrophobicContact CD2-CZ 4.48Å
116D48.2Very low54.5Low104 Ų104104.9 Ų104.956%0.55657%0.574SS**  trans-70.897.5-178.7-150.3-20.8000107.1V114 S118 N119V114-D116 PolarHBondContact O-N 3.1Å; D116-S118 PolarHBondContact O-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.05Å; D116-N119 PolarHBondContact O-N 3.28Å; D116-N119 VanDerWaalsContact O-N 3.08Å
117E47.7Very low52Low143 Ų143108 Ų10867%0.66859%0.59SS**THydrogen-bonded Turntrans-55.6-18.2-179.8-73.5-167.5172.500112L115 N119 F120L115-E117 PolarHBondContact O-N 3.34Å; E117-N119 VanDerWaalsContact C-N 3.26Å; E117-N119 PolarHBondContact O-N 3.39Å; E117-F120 PolarHBondContact O-N 2.99Å
118S48.6Very low49.6Very low54 Ų54112.4 Ų112.438%0.37860%0.601SS.*Hα-helixtrans-61.2-30.3176.662.90000113.4D116 S122D116-S118 PolarHBondContact O-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.05Å; S118-S122 VanDerWaalsContact O-CB 3.23Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.4Å; S118-S122 VanDerWaalsContact O-N 3.14Å; S118-S122 PolarHBondContact O-OG 2.66Å
119N39.4Very low47.6Very low100 Ų100115.1 Ų115.154%0.53562%0.624SS.*Hα-helixtrans-78.7-19.3179.2-71.6-20.6000113.5D116 E117D116-N119 PolarHBondContact O-N 3.28Å; D116-N119 VanDerWaalsContact O-N 3.08Å; E117-N119 VanDerWaalsContact C-N 3.26Å; E117-N119 PolarHBondContact O-N 3.39Å
120F41.5Very low45.5Very low145 Ų145117.5 Ų117.564%0.63663%0.625SS**Hα-helixtrans-78.5-23.3176.6-84-78.7000113.6L115 E117L115-F120 HydrophobicContact CD2-CE2 3.71Å; L115-F120 HydrophobicContact CD2-CZ 4.48Å; E117-F120 PolarHBondContact O-N 2.99Å
121L41.8Very low43.3Very low138 Ų138115 Ų11572%0.72362%0.621SS**Hα-helixtrans-106.7-23.5179.4-66.4178.5000114
122S39.9Very low41.2Very low45 Ų45118.9 Ų118.932%0.31563%0.634SS.*Hα-helixtrans-84.7-41.5-173.1-53.60000113S118 Q124 F125 N126S118-S122 VanDerWaalsContact O-CB 3.23Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.4Å; S118-S122 VanDerWaalsContact O-N 3.14Å; S118-S122 PolarHBondContact O-OG 2.66Å; S122-Q124 PolarHBondContact O-N 3.46Å; S122-F125 PolarHBondContact O-N 2.96Å; S122-N126 VanDerWaalsContact O-CB 3.32Å; S122-N126 WeakPolarHBondContact O-CB 3.2Å; S122-N126 PolarHBondContact O-N 3.36Å
123D33.9Very low39.8Very low128 Ų128121.1 Ų121.168%0.68463%0.634SS**THydrogen-bonded Turntrans-77.6-20.7-172.1-80.6-4.5000113.8
124Q35.9Very low38.2Very low157 Ų157127.2 Ų127.273%0.73465%0.647SS**THydrogen-bonded Turntrans-88.1-14.9177.7-154.6159.8-3.400113.8S122S122-Q124 PolarHBondContact O-N 3.46Å
125F35.5Very low36.9Very low174 Ų174128 Ų12876%0.76365%0.647SS**THydrogen-bonded Turntrans-125.3-12.2-179.7-80.7-77.2000115.9S122 I127S122-F125 PolarHBondContact O-N 2.96Å; F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.98Å
126N31.4Very low36Very low122 Ų122129.4 Ų129.465%0.65266%0.661SS**  trans-97.151.1169.5-69-35.9000111.7S122 R128S122-N126 VanDerWaalsContact O-CB 3.32Å; S122-N126 WeakPolarHBondContact O-CB 3.2Å; S122-N126 PolarHBondContact O-N 3.36Å; N126-R128 PolarHBondContact O-N 2.78Å
127I31.8Very low35.2Very low139 Ų139132.2 Ų132.271%0.71367%0.674SS**  trans-68.377.6145.6-55.4175.6000105.2F125 C129F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.98Å; I127-C129 VanDerWaalsContact C-N 3.29Å; I127-C129 PolarHBondContact O-N 3.29Å
128R29.2Very low34.6Very low213 Ų213130.5 Ų130.580%0.80467%0.673SS**  trans-62.3105.4163.8-155.5175.4-166.4-177.62.6103N126 N130N126-R128 PolarHBondContact O-N 2.78Å; R128-N130 PolarHBondContact O-N 3Å
129C30.4Very low33.7Very low105 Ų105132.9 Ų132.971%0.70969%0.69SS**  trans-57.491.8173.4-62.90000106.6I127 S131I127-C129 VanDerWaalsContact C-N 3.29Å; I127-C129 PolarHBondContact O-N 3.29Å; C129-S131 PolarHBondContact O-N 2.82Å
130N30.8Very low33.3Very low132 Ų132133.8 Ų133.871%0.70670%0.699SS**  trans-68.873.2159.9-68.7-17000104.6R128 E132R128-N130 PolarHBondContact O-N 3Å; N130-E132 PolarHBondContact O-N 2.84Å
131S31Very low32.7Very low95 Ų95131.7 Ų131.766%0.66470%0.7SS**  trans-68.164.5150.4580000106.1C129 T133C129-S131 PolarHBondContact O-N 2.82Å; S131-T133 PolarHBondContact O-N 2.79Å
132E32.1Very low32Very low152 Ų152133.4 Ų133.471%0.7170%0.704SS**  trans-62.994.5150.8-82.9-170.4158.500104N130 R134N130-E132 PolarHBondContact O-N 2.84Å; E132-R134 PolarHBondContact O-N 2.92Å
133T36.7Very low31.6Very low115 Ų115139.6 Ų139.671%0.70673%0.725SS**  trans-62.967.4160.550.10000107.3S131 N135S131-T133 PolarHBondContact O-N 2.79Å; T133-N135 PolarHBondContact O-N 3Å
134R28.8Very low31.5Very low218 Ų218140 Ų14082%0.82373%0.732SS**  trans-68.188.8157-102.9-175.6169.4-157.8-1.8104.2E132 P136E132-R134 PolarHBondContact O-N 2.92Å; R134-P136 WeakPolarHBondContact O-CD 3.37Å
135N28.4Very low31.5Very low133 Ų133139.7 Ų139.771%0.71174%0.735SS**  trans-49.6118.6165.5-77-30.9000105.9T133 I137T133-N135 PolarHBondContact O-N 3Å; N135-I137 PolarHBondContact O-N 3.46Å
136P32.7Very low31.3Very low106 Ų106137.9 Ų137.969%0.68873%0.733SS**  trans-58118.7178.422.7-30.6000106.3R134 V138R134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-V138 HydrophobicContact CB-CG2 4.17Å; P136-V138 HydrophobicContact CG-CG2 4.34Å; P136-V138 PolarHBondContact O-N 2.83Å
137I31.2Very low31.4Very low162 Ų162137.2 Ų137.283%0.83174%0.735SS**  trans-66.382.4168.3-58.1170.6000104.3N135 S139N135-I137 PolarHBondContact O-N 3.46Å; I137-S139 PolarHBondContact O-N 3.28Å
138V36.2Very low31.5Very low107 Ų107136.2 Ų136.265%0.64874%0.738SS**  trans-73.193.4169.5-179.60000104.2P136 T140P136-V138 HydrophobicContact CB-CG2 4.17Å; P136-V138 HydrophobicContact CG-CG2 4.34Å; P136-V138 PolarHBondContact O-N 2.83Å; V138-T140 HydrophobicContact CG1-CG2 4.18Å; V138-T140 PolarHBondContact O-N 2.95Å
139S29.1Very low31.5Very low104 Ų104133.9 Ų133.973%0.72774%0.741SS**  trans-65.277.3168.457.80000108.4I137 P141I137-S139 PolarHBondContact O-N 3.28Å; S139-P141 WeakPolarHBondContact O-CD 3.32Å
140T31.4Very low31.5Very low119 Ų119133.3 Ų133.373%0.7374%0.738SS**  trans-74.9116.2160.334.30000107.6V138V138-T140 HydrophobicContact CG1-CG2 4.18Å; V138-T140 PolarHBondContact O-N 2.95Å
141P29.1Very low31.4Very low102 Ų102132.2 Ų132.266%0.66274%0.741SS**  trans-75.7160.6171.734.9-32.5000109S139S139-P141 WeakPolarHBondContact O-CD 3.32Å
142H27.3Very low31.3Very low173 Ų173133.3 Ų133.380%0.80175%0.749SS**  trans73.593.3164.9-73.8-75.8000117.6
143K31.5Very low31.3Very low176 Ų176131.4 Ų131.477%0.76575%0.747SS**  173.2125.289.5-95.3169.7-177.5-178.60107.6L145K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 3.01Å
144V31.7Very low31Very low135 Ų135129.6 Ų129.682%0.81874%0.744SS**  trans-59.695.9164179.20000106.1
145L35.7Very low30.9Very low152 Ų152126 Ų12680%0.79674%0.741SS**  trans-111109.3163.8-79.6167.5000104.5K143K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 3.01Å
146D30.6Very low30.8Very low136 Ų136130.2 Ų130.273%0.72775%0.747SS**  trans-51.4139.2-175.5-68.3-51.7000111.4P148D146-P148 WeakPolarHBondContact O-CD 3.22Å
147P34.1Very low30.7Very low107 Ų107130.6 Ų130.670%0.69575%0.752SS**  trans-68.3126.7-173.225.7-32.7000110.9N149P147-N149 PolarHBondContact O-N 3.38Å; P147-N149 VanDerWaalsContact O-N 3.12Å
148P34.2Very low30.8Very low118 Ų118134 Ų13477%0.76676%0.755SS**  trans-69.7111.8164.526-27.8000108.7D146 S150D146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-S150 PolarHBondContact O-N 3.27Å
149N29.5Very low30.4Very low165 Ų165132.2 Ų132.288%0.88276%0.757SS**  trans-5497.6164.9-80.4-36.7000110.3P147P147-N149 PolarHBondContact O-N 3.38Å; P147-N149 VanDerWaalsContact O-N 3.12Å
150S28.8Very low30.5Very low93 Ų93134.8 Ų134.865%0.6576%0.761SS**  trans-160.3106.2157.257.60000111.1P148 S152P148-S150 PolarHBondContact O-N 3.27Å; S150-S152 PolarHBondContact O-N 3.37Å
151S28.9Very low30.6Very low108 Ų108133.3 Ų133.376%0.75576%0.761SS**  trans29.490.5149.160.10000116.5V153S151-V153 VanDerWaalsContact C-N 3.28Å; S151-V153 PolarHBondContact O-N 3.14Å
152S28.2Very low30.8Very low119 Ų119131.8 Ų131.883%0.83276%0.757SS**  trans-67.888.8163.2630000109.4S150 A154S150-S152 PolarHBondContact O-N 3.37Å; S152-A154 PolarHBondContact O-N 3.02Å
153V32Very low31.1Very low112 Ų112133.3 Ų133.368%0.67976%0.756SS**  trans-61.2108.7155.9-179.10000105.3S151 N155S151-V153 VanDerWaalsContact C-N 3.28Å; S151-V153 PolarHBondContact O-N 3.14Å; V153-N155 PolarHBondContact O-N 2.95Å
154A30.9Very low31.4Very low76 Ų76131.2 Ų131.263%0.62875%0.752SS**  trans-62.485.2177.900000109.5S152 R156S152-A154 PolarHBondContact O-N 3.02Å; A154-R156 PolarHBondContact O-N 2.74Å
155N27.6Very low31.5Very low144 Ų144134 Ų13477%0.7775%0.748SS**  trans-68.479.2164.2-86-32.9000107.7V153 S157V153-N155 PolarHBondContact O-N 2.95Å; N155-S157 PolarHBondContact O-N 2.64Å
156R26.1Very low31.6Very low220 Ų220134.8 Ų134.883%0.8375%0.745SS**  trans-66.293.6161-65.2-176.6-179.2-161.70.1105.8A154 R158A154-R156 PolarHBondContact O-N 2.74Å; R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.33Å
157S31Very low31.9Very low114 Ų114139.3 Ų139.380%0.79775%0.752SS**  trans-49.998.8164.3-47.40000106.9N155 G159N155-S157 PolarHBondContact O-N 2.64Å; S157-G159 PolarHBondContact O-N 3.02Å
158R32Very low31.8Very low235 Ų235141 Ų14189%0.88776%0.755SS**  trans-60.195.4169-81.6176.5171.7170.5-1.5105R156 I160R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.33Å; R158-I160 PolarHBondContact O-N 3.07Å
159G28.5Very low31.8Very low68 Ų68140.3 Ų140.370%0.70175%0.753SS**  trans-49.7111.4166.100000106.2S157 A161S157-G159 PolarHBondContact O-N 3.02Å; G159-A161 PolarHBondContact O-N 3.44Å
160I31.3Very low32.3Very low158 Ų158143.1 Ų143.181%0.8175%0.751SS**  trans-69.274.4169.6-56.7170.4000103.9R158 A162R158-I160 PolarHBondContact O-N 3.07Å; I160-A162 PolarHBondContact O-N 3.22Å
161A33.4Very low32.7Very low88 Ų88149.5 Ų149.573%0.72776%0.761SS**  trans-61.687.8151.600000103.4G159 R163G159-A161 PolarHBondContact O-N 3.44Å; A161-R163 PolarHBondContact O-N 3.15Å
162A34.1Very low33.1Very low70 Ų70149.2 Ų149.258%0.57976%0.76SS**  trans-44114.4170.600000105.1I160 L164I160-A162 PolarHBondContact O-N 3.22Å; A162-L164 PolarHBondContact O-N 3.46Å
163R32.2Very low33.6Very low206 Ų206153.8 Ų153.878%0.77776%0.764SS**  trans-64.470.6175.3-73.2166.4137.6-173.7-2.2107.2A161 R165A161-R163 PolarHBondContact O-N 3.15Å; R163-R165 PolarHBondContact O-N 2.79Å
164L38.5Very low33.8Very low131 Ų131152.1 Ų152.169%0.68676%0.758SS**  trans-71.774.9155.7-67.2176.8000104.8A162 F166A162-L164 PolarHBondContact O-N 3.46Å; L164-F166 HydrophobicContact CB-CD2 4.24Å; L164-F166 HydrophobicContact CB-CE2 3.96Å; L164-F166 HydrophobicContact CD1-CE2 4.49Å; L164-F166 PolarHBondContact O-N 3.47Å
165R33.8Very low33.8Very low195 Ų195153.4 Ų153.474%0.73677%0.769SS**  trans-61.985.1156.7-74.9-177.2174-178.3-2.6104.3R163 R167R163-R165 PolarHBondContact O-N 2.79Å; R165-R167 PolarHBondContact O-N 2.83Å
166F38.4Very low34.2Very low167 Ų167154.1 Ų154.173%0.73277%0.767SS**  trans-54.898.7150.4-71-80.4000103.7L164 N168L164-F166 HydrophobicContact CB-CD2 4.24Å; L164-F166 HydrophobicContact CB-CE2 3.96Å; L164-F166 HydrophobicContact CD1-CE2 4.49Å; L164-F166 PolarHBondContact O-N 3.47Å; F166-N168 PolarHBondContact O-N 3.44Å
167R36.2Very low34.7Very low232 Ų232150.9 Ų150.988%0.87577%0.766SS**  trans-5793.6159.6-79.4177.9154.1166.2-5.7102.6R165 S169R165-R167 PolarHBondContact O-N 2.83Å; R167-S169 PolarHBondContact O-N 3.14Å
168N31.8Very low34.7Very low142 Ų142156.8 Ų156.876%0.75977%0.771SS**  trans-51.599.2160.2-83.5-28.7000103.3F166 R170F166-N168 PolarHBondContact O-N 3.44Å; N168-R170 PolarHBondContact O-N 2.94Å
169S34.7Very low34.8Very low104 Ų104152.7 Ų152.773%0.72777%0.765SS**  trans-64.387173.7-178.60000103.3R167 R171R167-S169 PolarHBondContact O-N 3.14Å; S169-R171 PolarHBondContact O-N 2.99Å
170R40.2Very low35.1Very low223 Ų223155 Ų15584%0.84277%0.768SS**  trans-64.174.4154.7-65.9-175.2-175.9-1661.1103.6N168 S172N168-R170 PolarHBondContact O-N 2.94Å; R170-S172 PolarHBondContact O-N 3.32Å; R170-S172 PolarHBondContact O-OG 2.92Å
171R38.1Very low35.1Very low227 Ų227156.7 Ų156.786%0.85777%0.772SS**  trans-65.294.2160.4-163.2171.1-172.3-174.91.1102.8S169 K173S169-R171 PolarHBondContact O-N 2.99Å; R171-K173 PolarHBondContact O-N 2.98Å
172S36.1Very low35.1Very low103 Ų103157 Ų15772%0.7277%0.769SS**  trans-53.199.1-170.1-46.50000108.7R170 S174R170-S172 PolarHBondContact O-N 3.32Å; R170-S172 PolarHBondContact O-OG 2.92Å; S172-S174 PolarHBondContact O-N 2.74Å
173K38Very low35Very low214 Ų214160 Ų16093%0.9378%0.783SS**  trans-7771167.1-167.6164.4-176.7173.80107.3R171R171-K173 PolarHBondContact O-N 2.98Å
174S36.4Very low35Very low78 Ų78159.5 Ų159.555%0.54579%0.789SS.*  trans-172.873.3161.6-167.40000108.6S172 H176S172-S174 PolarHBondContact O-N 2.74Å; S174-H176 PolarHBondContact O-N 2.86Å; S174-H176 PolarHBondContact OG-N 3.31Å
175A32.2Very low34.5Very low103 Ų103163.5 Ų163.585%0.85180%0.795SS**  trans-86.458.9141.700000106.2
176H35.3Very low34.3Very low158 Ų158159.1 Ų159.173%0.73179%0.794SS**  trans-83.1111.4151.3-81.5-55.7000104.3S174 R178S174-H176 PolarHBondContact O-N 2.86Å; S174-H176 PolarHBondContact OG-N 3.31Å; H176-R178 PolarHBondContact O-N 3.42Å
177D37.6Very low34Very low152 Ų152159.2 Ų159.281%0.81380%0.795SS**  trans-38.2107.9167.4-76.6-48.3000108.9I179D177-I179 VanDerWaalsContact C-N 3.27Å; D177-I179 PolarHBondContact O-N 3.14Å
178R30.9Very low33.5Very low239 Ų239156.7 Ų156.790%0.90279%0.792SS**  trans-65.896169.3-80.2178.7171.6171.2-4.3106H176 P180H176-R178 PolarHBondContact O-N 3.42Å; R178-P180 WeakPolarHBondContact O-CD 3.47Å
179I34.1Very low33.4Very low148 Ų148158 Ų15876%0.75980%0.796SS**  trans-58.8121.4157.6-60.1173.4000105.2D177 E181D177-I179 VanDerWaalsContact C-N 3.27Å; D177-I179 PolarHBondContact O-N 3.14Å; I179-E181 PolarHBondContact O-N 3.35Å
180P34Very low33Very low117 Ų117164.7 Ų164.776%0.7681%0.805SS**  trans-65106.5-176.423.4-31000109.4R178 S182R178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-S182 PolarHBondContact O-N 2.98Å
181E32.3Very low32.3Very low194 Ų194161.2 Ų161.291%0.90780%0.803SS**  trans-61.4117.7165.5-82.8-179.8152.100108.3I179I179-E181 PolarHBondContact O-N 3.35Å
182S32Very low31.9Very low95 Ų95159.7 Ų159.766%0.66480%0.803SS**  trans-64.5151.9175.741.70000111.1P180 Q184P180-S182 PolarHBondContact O-N 2.98Å; S182-Q184 PolarHBondContact O-N 3.31Å
183P32.4Very low31.4Very low133 Ų133160.4 Ų160.486%0.86480%0.803SS**  trans-68.8104.7-163.2-13.828.4000111.5R185P183-R185 PolarHBondContact O-N 2.99Å
184Q32Very low31Very low194 Ų194157.2 Ų157.291%0.90780%0.797SS**  trans-72.6118.4172.1-77.5-172-13.100110.1S182 S186S182-Q184 PolarHBondContact O-N 3.31Å; Q184-S186 PolarHBondContact O-N 3.44Å
185R27.6Very low30.8Very low216 Ų216162 Ų16282%0.81582%0.815SS**  trans-50.6125.9173.6-90.5177.8166.2-163.1-3.3111.2P183 F187P183-R185 PolarHBondContact O-N 2.99Å; R185-F187 HydrophobicContact CB-CE2 4.34Å; R185-F187 PolarHBondContact O-N 3.49Å; R185-F187 VanDerWaalsContact O-N 3.15Å
186S30Very low30.6Very low103 Ų103161.6 Ų161.672%0.7281%0.806SS**  trans-52.8109.8165.6176.70000110.7Q184Q184-S186 PolarHBondContact O-N 3.44Å
187F31Very low30.3Very low169 Ų169160.7 Ų160.774%0.74181%0.814SS**  trans-99.8108.9162-77.6-79.4000108.6R185 M189R185-F187 HydrophobicContact CB-CE2 4.34Å; R185-F187 PolarHBondContact O-N 3.49Å; R185-F187 VanDerWaalsContact O-N 3.15Å; F187-M189 PolarHBondContact O-N 3.5Å; F187-M189 VanDerWaalsContact O-N 3.07Å
188H26.3Very low29.9Very low178 Ų178159.4 Ų159.482%0.82481%0.812SS**  trans-59.9103.8165.7-85.9-42000109.8
189M31Very low29.7Very low171 Ų171158.8 Ų158.884%0.84281%0.809SS**PPolyproline II helixtrans-81.3116164.8-81.9-75146.500108.9F187F187-M189 PolarHBondContact O-N 3.5Å; F187-M189 VanDerWaalsContact O-N 3.07Å
190R25.1Very low29.3Very low243 Ų243159.8 Ų159.892%0.91782%0.816SS**PPolyproline II helixtrans-61.2130177.5-82.6174.3170.6156.4-2.8110.7
191N26Very low29Very low150 Ų150158.4 Ų158.480%0.80281%0.809SS**PPolyproline II helixtrans-70.7141.3161.7-66.4-40000110.3
192K28.9Very low28.9Very low196 Ų196156.7 Ų156.785%0.85281%0.805SS**  trans173.4101.1145.3-95163.8-173.7-161.60105.9
193T26Very low28.8Very low118 Ų118156.5 Ų156.572%0.72480%0.801SS**  51.9112.680-38.30000110.2
194D29.9Very low28.8Very low147 Ų147156.8 Ų156.879%0.78680%0.795SS**  trans138.7100.8156.8-68-17.2000108.1
195L32.5Very low28.9Very low178 Ų178152.9 Ų152.993%0.93278%0.78SS**  trans-179.8125.8130.8-88.9170.1000108.6
196S27.9Very low29.1Very low94 Ų94150.5 Ų150.566%0.65778%0.783SS**  trans-71.9157.3-163.2-34.30000113.3T198S196-T198 PolarHBondContact O-N 2.94Å; S196-T198 VanDerWaalsContact O-N 3.14Å; S196-T198 PolarHBondContact O-OG1 2.71Å
197P28.4Very low29.4Very low139 Ų139152.1 Ų152.190%0.90378%0.781SS**  trans-73.6109.1-177.36.19.8000109.4
198T29.8Very low29.7Very low125 Ų125150.9 Ų150.977%0.76778%0.782SS**  trans-99.1117.2178.4-43.20000109.2S196S196-T198 PolarHBondContact O-N 2.94Å; S196-T198 VanDerWaalsContact O-N 3.14Å; S196-T198 PolarHBondContact O-OG1 2.71Å
199R25.9Very low30.2Very low227 Ų227149.8 Ų149.886%0.85778%0.782SS**  trans59.4103155.9-88.9178.6159.4155.4-5.7118.9S201R199-S201 PolarHBondContact O-N 2.75Å; R199-S201 VanDerWaalsContact O-N 3.12Å
200N26Very low30.7Very low168 Ų168148.2 Ų148.290%0.89878%0.777SS**  trans-21.9104.2134.6-52.9-14.7000112.9
201S27.2Very low31.4Very low88 Ų88139.8 Ų139.862%0.61576%0.755SS**  trans-121.396.9158.6161.80000104.8R199 T203R199-S201 PolarHBondContact O-N 2.75Å; R199-S201 VanDerWaalsContact O-N 3.12Å; S201-T203 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact OG-OG1 3.48Å; S201-T203 VanDerWaalsContact OG-OG1 3.11Å
202L30.5Very low32Very low158 Ų158140.3 Ų140.383%0.82775%0.753SS**  trans-64.374.1163.9-79.3149.6000107.6
203T31Very low32.6Very low92 Ų92133.8 Ų133.856%0.56473%0.732SS**  trans-106.195.6155.433.60000104.3S201 N205S201-T203 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact OG-OG1 3.48Å; S201-T203 VanDerWaalsContact OG-OG1 3.11Å; T203-N205 PolarHBondContact O-N 2.98Å
204D31.6Very low33.2Very low138 Ų138136.6 Ų136.674%0.73873%0.734SS**  trans-53.475158.7-65.5-44.3000107.9L206D204-L206 PolarHBondContact O-N 3.47Å
205N33.9Very low33.7Very low113 Ų113137 Ų13760%0.60473%0.729SS**  trans-6986152.6-74.2-28.6000103.6T203 M207T203-N205 PolarHBondContact O-N 2.98Å; N205-M207 HydrophobicContact CB-CE 3.8Å; N205-M207 HydrophobicContact CB-CG 4.11Å; N205-M207 PolarHBondContact O-N 3.47Å
206L31.9Very low34.3Very low165 Ų165130.9 Ų130.986%0.86470%0.701SS**  trans-52.772.5149.9-143.290.9000105.3D204 D208D204-L206 PolarHBondContact O-N 3.47Å; L206-D208 PolarHBondContact O-N 2.92Å
207M36.1Very low34.8Very low137 Ų137133.7 Ų133.768%0.67570%0.697SS**  trans-61.7111.8174.7-82.8-78146.400103N205 D209N205-M207 HydrophobicContact CB-CE 3.8Å; N205-M207 HydrophobicContact CB-CG 4.11Å; N205-M207 PolarHBondContact O-N 3.47Å; M207-D209 VanDerWaalsContact C-N 3.29Å; M207-D209 PolarHBondContact O-N 3.26Å
208D37.5Very low35.6Very low143 Ų143134.4 Ų134.477%0.76569%0.686SS**  trans-30.699.2169.2-71.1-54.5000108.1L206 N210L206-D208 PolarHBondContact O-N 2.92Å; D208-N210 PolarHBondContact O-N 2.9Å
209D38.4Very low36Very low155 Ų155136.7 Ų136.783%0.82968%0.681SS**  trans-60.695.1168.7-90.9-31.5000103M207 S211M207-D209 VanDerWaalsContact C-N 3.29Å; M207-D209 PolarHBondContact O-N 3.26Å; D209-S211 PolarHBondContact O-N 2.92Å
210N39.6Very low36.6Very low139 Ų139134 Ų13474%0.74367%0.671SS**  trans-62.361.6159.8-83.6-60000106.1D208 E212D208-N210 PolarHBondContact O-N 2.9Å; N210-E212 PolarHBondContact O-N 2.87Å
211S39.7Very low37.5Very low66 Ų66135.2 Ų135.246%0.46266%0.663SS.*  trans-55.1127.8172.4570000105.1D209 S213 K214D209-S211 PolarHBondContact O-N 2.92Å; S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 2.88Å; S211-S213 PolarHBondContact OG-OG 3.14Å; S211-K214 PolarHBondContact O-N 3.1Å
212E40.3Very low38.5Very low160 Ų160136.3 Ų136.375%0.74866%0.661SS**THydrogen-bonded Turntrans-55.9-10.4-176.4-70.5166.4139.600112.6N210 K214 K215 S216N210-E212 PolarHBondContact O-N 2.87Å; E212-K214 PolarHBondContact O-N 3.37Å; E212-K215 PolarHBondContact O-N 2.99Å; E212-K215 VanDerWaalsContact O-N 3.15Å; E212-S216 PolarHBondContact O-N 3.05Å
213S41Very low39.2Very low59 Ų59130.8 Ų130.841%0.41363%0.633SS.*Hα-helixtrans-49.6-48.217171.30000113.4S211 K215 S216 W217S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 2.88Å; S211-S213 PolarHBondContact OG-OG 3.14Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.92Å; S213-S216 PolarHBondContact O-N 2.85Å; S213-S216 PolarHBondContact O-OG 3.09Å; S213-W217 VanDerWaalsContact O-CD1 3.27Å; S213-W217 PolarHBondContact O-N 3.19Å
214K38.7Very low39.8Very low178 Ų178133.9 Ų133.977%0.77464%0.638SS**Hα-helixtrans-69.2-28.3-179-77.5-178.3-179.1170.20112.8S211 E212 K218S211-K214 PolarHBondContact O-N 3.1Å; E212-K214 PolarHBondContact O-N 3.37Å; K214-K218 PolarHBondContact O-N 2.76Å
215K39.8Very low40.4Very low156 Ų156133.1 Ų133.168%0.67863%0.634SS**Hα-helixtrans-73.5-37175.2-70179.2-177.5170.50111.1E212 S213 K218 W219E212-K215 PolarHBondContact O-N 2.99Å; E212-K215 VanDerWaalsContact O-N 3.15Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.92Å; K215-K218 PolarHBondContact O-N 2.93Å; K215-W219 WeakPolarHBondContact O-CB 3.36Å; K215-W219 PolarHBondContact O-N 2.94Å; K215-W219 VanDerWaalsContact O-N 3.07Å
216S45Very low40.6Very low49 Ų49131.2 Ų131.234%0.34362%0.624SS.*Hα-helixtrans-64.6-42.2179.678.90000111.9E212 S213 K218 W219 W220E212-S216 PolarHBondContact O-N 3.05Å; S213-S216 PolarHBondContact O-N 2.85Å; S213-S216 PolarHBondContact O-OG 3.09Å; S216-K218 PolarHBondContact O-N 2.87Å; S216-W219 WeakPolarHBondContact O-CB 3.47Å; S216-W219 PolarHBondContact O-N 2.98Å; S216-W220 PolarHBondContact O-N 3.36Å
217W39.1Very low41Very low153 Ų153130.5 Ų130.558%0.5862%0.616SS**Hα-helixtrans-67.3-37179.2-8075.8000113.2S213 W219 W220 R221S213-W217 VanDerWaalsContact O-CD1 3.27Å; S213-W217 PolarHBondContact O-N 3.19Å; W217-W219 VanDerWaalsContact C-N 3.33Å; W217-W220 PolarHBondContact O-N 2.95Å; W217-R221 PolarHBondContact O-N 2.89Å
218K44.8Very low41.4Very low153 Ų153130.9 Ų130.967%0.66562%0.62SS**Hα-helixtrans-67.6-36174.6-161.1174.1-175.3177.10111.5K214 K215 S216 L222K214-K218 PolarHBondContact O-N 2.76Å; K215-K218 PolarHBondContact O-N 2.93Å; S216-K218 PolarHBondContact O-N 2.87Å; K218-L222 HydrophobicContact CG-CD1 4.31Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.37Å
219W38.1Very low41.5Very low173 Ų173131.9 Ų131.966%0.65562%0.618SS**Hα-helixtrans-67.4-39.6174.8-164.285000112K215 S216 W217 L222 N223K215-W219 WeakPolarHBondContact O-CB 3.36Å; K215-W219 PolarHBondContact O-N 2.94Å; K215-W219 VanDerWaalsContact O-N 3.07Å; S216-W219 WeakPolarHBondContact O-CB 3.47Å; S216-W219 PolarHBondContact O-N 2.98Å; W217-W219 VanDerWaalsContact C-N 3.33Å; W219-L222 PolarHBondContact O-N 3.27Å; W219-N223 VanDerWaalsContact CE3-ND2 3.29Å; W219-N223 VanDerWaalsContact CH2-ND2 3.32Å; W219-N223 WeakPolarHBondContact CH2-ND2 3.49Å; W219-N223 WeakPolarHBondContact CZ2-ND2 3.48Å; W219-N223 WeakPolarHBondContact CZ3-ND2 3.39Å; W219-N223 WeakPolarHBondContact O-CB 3.16Å; W219-N223 PolarHBondContact O-N 3.41Å; W219-N223 PolarHBondContact O-ND2 3Å
220W37.9Very low41.3Very low170 Ų170129 Ų12964%0.64460%0.603SS**Hα-helixtrans-62.5-44.6173.2-93.598.9000112.8S216 W217 N223 K224S216-W220 PolarHBondContact O-N 3.36Å; W217-W220 PolarHBondContact O-N 2.95Å; W220-N223 PolarHBondContact O-N 3.22Å; W220-K224 PolarHBondContact O-N 3.38Å
221R44.4Very low41.1Very low195 Ų195128.8 Ų128.874%0.73660%0.601SS**Hα-helixtrans-63.8-44175.3-75.6-168-171166.33.8112.5W217 N223W217-R221 PolarHBondContact O-N 2.89Å; R221-N223 PolarHBondContact O-N 3.25Å
222L48.3Very low41.3Very low111 Ų111131 Ų13158%0.58161%0.612SS**Hα-helixtrans-65.5-24.7177.9-82.6161.4000113.1K218 W219K218-L222 HydrophobicContact CG-CD1 4.31Å; K218-L222 WeakPolarHBondContact O-CB 3.45Å; K218-L222 PolarHBondContact O-N 3.37Å; W219-L222 PolarHBondContact O-N 3.27Å
223N45.3Very low41.2Very low42 Ų42133.2 Ų133.223%0.22561%0.613CS.*Hα-helixtrans-97.5-19.2-179.3-75.3-32.9000115.3W219 W220 R221 D225 N226 E227W219-N223 VanDerWaalsContact CE3-ND2 3.29Å; W219-N223 VanDerWaalsContact CH2-ND2 3.32Å; W219-N223 WeakPolarHBondContact CH2-ND2 3.49Å; W219-N223 WeakPolarHBondContact CZ2-ND2 3.48Å; W219-N223 WeakPolarHBondContact CZ3-ND2 3.39Å; W219-N223 WeakPolarHBondContact O-CB 3.16Å; W219-N223 PolarHBondContact O-N 3.41Å; W219-N223 PolarHBondContact O-ND2 3Å; W220-N223 PolarHBondContact O-N 3.22Å; R221-N223 PolarHBondContact O-N 3.25Å; N223-D225 PolarHBondContact O-N 3.47Å; N223-N226 PolarHBondContact O-N 3.01Å; N223-N226 VanDerWaalsContact O-N 3.07Å; N223-E227 PolarHBondContact O-N 3.44Å
224K43.9Very low40.9Very low156 Ų156141.5 Ų141.568%0.67864%0.636SS**Hα-helixtrans-58-36.4169.8-109.3-160.5178.4-176.40111.4W220 N226W220-K224 PolarHBondContact O-N 3.38Å; K224-N226 VanDerWaalsContact C-N 3.35Å
225D44.2Very low40.8Very low122 Ų122142.7 Ų142.765%0.65264%0.635SS**THydrogen-bonded Turntrans-77.9-21178.2-61-21.7000112.7N223N223-D225 PolarHBondContact O-N 3.47Å
226N37.8Very low40.9Very low73 Ų73141.7 Ų141.739%0.3963%0.633SS.*G310 helixtrans-91.3-10-179.6-81.7-15.7000114.6N223 K224 L228 F229 N230N223-N226 PolarHBondContact O-N 3.01Å; N223-N226 VanDerWaalsContact O-N 3.07Å; K224-N226 VanDerWaalsContact C-N 3.35Å; N226-L228 PolarHBondContact O-N 3.03Å; N226-F229 PolarHBondContact O-N 3.22Å; N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.37Å
227E42.3Very low40.7Very low151 Ų151143.3 Ų143.371%0.70664%0.644SS**G310 helixtrans-63.1-20.3170-77.5-162.5152.800112.4N223N223-E227 PolarHBondContact O-N 3.44Å
228L43.2Very low40.6Very low144 Ų144141.7 Ų141.775%0.75465%0.646SS**G310 helixtrans-73.3-24.3172.1-83.8158.5000113.7N226N226-L228 PolarHBondContact O-N 3.03Å
229F39.3Very low40.3Very low165 Ų165135.9 Ų135.972%0.72463%0.629SS**THydrogen-bonded Turntrans-112.4-15.5-178.3-72.1-75000115N226 N231N226-F229 PolarHBondContact O-N 3.22Å; F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.45Å
230N33.9Very low40.2Very low95 Ų95132.6 Ų132.651%0.50862%0.624SS.*G310 helixtrans-82.8-2.3179.4-83.2-31.9000115.4N226 V232 R233N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.37Å; N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 VanDerWaalsContact O-N 3.13Å; N230-R233 PolarHBondContact O-N 3.21Å
231N37.1Very low40.3Very low133 Ų133128.7 Ų128.771%0.71161%0.614SS**G310 helixtrans-66.2-7.1168.9-83.4-33.7000113.9F229F229-N231 VanDerWaalsContact C-N 3.32Å; F229-N231 PolarHBondContact O-N 3.45Å
232V42.6Very low39.8Very low113 Ų113121.7 Ų121.769%0.68560%0.598SS**G310 helixtrans-89.9-25.8177.5-174.90000113N230N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 VanDerWaalsContact O-N 3.13Å
233R38.4Very low39.3Very low207 Ų207122.2 Ų122.278%0.78160%0.598SS**THydrogen-bonded Turntrans-92.7-24.5-171.2-145.8173.2-157.4-148.43.7115.9N230 R235N230-R233 PolarHBondContact O-N 3.21Å; R233-R235 VanDerWaalsContact C-N 3.35Å; R233-R235 PolarHBondContact O-N 3.09Å
234R35.9Very low39.2Very low233 Ų233126.3 Ų126.388%0.87962%0.615SS**THydrogen-bonded Turntrans-80.4-7.2178.9-84.1-165.3-163.1130.92.5115.2
235R35.8Very low38.9Very low203 Ų203126.3 Ų126.377%0.76661%0.612SS**THydrogen-bonded Turntrans-90.2-5.2-179.8-78.2-173.2164.7-145.7-2.7115.4R233 G239R233-R235 VanDerWaalsContact C-N 3.35Å; R233-R235 PolarHBondContact O-N 3.09Å; R235-G239 PolarHBondContact O-N 3.12Å
236Q41.9Very low38.7Very low134 Ų134125.9 Ų125.963%0.62661%0.609SS**Hα-helixtrans-76.4-26.2-177.1-71.4-169.7-14.800114.6I240Q236-I240 WeakPolarHBondContact O-CG1 3.49Å; Q236-I240 PolarHBondContact O-N 3.49Å
237S40.7Very low38.7Very low83 Ų83131.1 Ų131.158%0.5862%0.624SS**Hα-helixtrans-77.4-32.1177.655.50000113.1I241S237-I241 WeakPolarHBondContact O-CG1 3.37Å; S237-I241 PolarHBondContact O-N 2.82Å
238I36Very low38.5Very low120 Ų120132.6 Ų132.662%0.61562%0.624SS**Hα-helixtrans-74.5-31.7175.2-137.677.8000111.2I241 A242I238-I241 PolarHBondContact O-N 3.06Å; I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.99Å
239G38.7Very low38.4Very low31 Ų31133.6 Ų133.632%0.3262%0.623SS.*Hα-helixtrans-64.9-42.4175.700000113R235 I241 A242 E243R235-G239 PolarHBondContact O-N 3.12Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.17Å; G239-A242 PolarHBondContact O-N 3.34Å; G239-E243 WeakPolarHBondContact O-CB 3.39Å; G239-E243 PolarHBondContact O-N 3.12Å
240I37Very low38.3Very low104 Ų104129.8 Ų129.853%0.53361%0.613SS.*Hα-helixtrans-67.4-37.9179.2-64166.2000111.2Q236 Q244Q236-I240 WeakPolarHBondContact O-CG1 3.49Å; Q236-I240 PolarHBondContact O-N 3.49Å; I240-Q244 WeakPolarHBondContact O-CB 3.11Å; I240-Q244 WeakPolarHBondContact O-CG 3.37Å; I240-Q244 PolarHBondContact O-N 2.9Å
241I39.5Very low38.5Very low88 Ų88131.2 Ų131.245%0.45162%0.621SS.*Hα-helixtrans-69.3-44.3176.4-63172.1000109.7S237 I238 G239 E243 Q244 Y245S237-I241 WeakPolarHBondContact O-CG1 3.37Å; S237-I241 PolarHBondContact O-N 2.82Å; I238-I241 PolarHBondContact O-N 3.06Å; G239-I241 VanDerWaalsContact C-N 3.35Å; G239-I241 PolarHBondContact O-N 3.17Å; I241-E243 PolarHBondContact O-N 3.29Å; I241-Q244 PolarHBondContact O-N 3.45Å; I241-Y245 HydrophobicContact CG2-CD2 3.65Å; I241-Y245 HydrophobicContact CG2-CE2 3.44Å; I241-Y245 VanDerWaalsContact CG2-CE2 3.44Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.45Å
242A35Very low38.5Very low48 Ų48130.6 Ų130.640%0.39762%0.617SS.*Hα-helixtrans-63.9-37.4177.500000113I238 G239 Y245 L246I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 2.99Å; G239-A242 PolarHBondContact O-N 3.34Å; A242-Y245 PolarHBondContact O-N 3.46Å; A242-L246 WeakPolarHBondContact O-CB 3.39Å; A242-L246 PolarHBondContact O-N 3.42Å
243E38.1Very low38.4Very low121 Ų121135.2 Ų135.257%0.56563%0.628SS**Hα-helixtrans-71.1-35175.3-79-163.9-170.500112.8G239 I241 Y245 L246 R247G239-E243 WeakPolarHBondContact O-CB 3.39Å; G239-E243 PolarHBondContact O-N 3.12Å; I241-E243 PolarHBondContact O-N 3.29Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-L246 PolarHBondContact O-N 3.44Å; E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.06Å
244Q43.1Very low38.3Very low128 Ų128131.7 Ų131.760%0.59863%0.625SS**Hα-helixtrans-64.8-38171.6-75.6-178.2-1.400111.5I240 I241 Y248I240-Q244 WeakPolarHBondContact O-CB 3.11Å; I240-Q244 WeakPolarHBondContact O-CG 3.37Å; I240-Q244 PolarHBondContact O-N 2.9Å; I241-Q244 PolarHBondContact O-N 3.45Å; Q244-Y248 PolarHBondContact O-N 3.03Å
245Y36.9Very low38.1Very low156 Ų156123.8 Ų123.861%0.61262%0.616SS**Hα-helixtrans-69.8-37.6174-79.6-69.8000112.7I241 A242 E243 Y248 F249I241-Y245 HydrophobicContact CG2-CD2 3.65Å; I241-Y245 HydrophobicContact CG2-CE2 3.44Å; I241-Y245 VanDerWaalsContact CG2-CE2 3.44Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.45Å; A242-Y245 PolarHBondContact O-N 3.46Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; Y245-Y248 PolarHBondContact O-N 3.03Å; Y245-F249 VanDerWaalsContact O-CD2 3.22Å; Y245-F249 WeakPolarHBondContact O-CD2 3.32Å
246L39.1Very low37.9Very low113 Ų113122.4 Ų122.459%0.59262%0.618SS**Hα-helixtrans-69.3-37.6177.2-84.1161000112.5A242 E243 Y248 F249 T250A242-L246 WeakPolarHBondContact O-CB 3.39Å; A242-L246 PolarHBondContact O-N 3.42Å; E243-L246 PolarHBondContact O-N 3.44Å; L246-Y248 PolarHBondContact O-N 2.89Å; L246-F249 PolarHBondContact O-N 3.14Å; L246-T250 PolarHBondContact O-N 3.17Å; L246-T250 PolarHBondContact O-OG1 3.31Å
247R38.8Very low37.5Very low184 Ų184121.1 Ų121.169%0.69462%0.624SS**Hα-helixtrans-64.8-24.4173.8-74.9-171.9-169.1-160.53.1113.3E243 F249E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.06Å; R247-F249 VanDerWaalsContact C-N 3.29Å
248Y38.3Very low37.2Very low182 Ų182128.3 Ų128.371%0.71464%0.638SS**Hα-helixtrans-73.3-19.7173.1-104.5-85.6000113.5Q244 Y245 L246 N251Q244-Y248 PolarHBondContact O-N 3.03Å; Y245-Y248 PolarHBondContact O-N 3.03Å; L246-Y248 PolarHBondContact O-N 2.89Å; Y248-N251 PolarHBondContact O-ND2 3.06Å
249F40.2Very low36.8Very low165 Ų165126 Ų12672%0.72464%0.644SS**Hα-helixtrans-104.7-19177.7-68.6-69.5000114Y245 L246 R247 N251Y245-F249 VanDerWaalsContact O-CD2 3.22Å; Y245-F249 WeakPolarHBondContact O-CD2 3.32Å; L246-F249 PolarHBondContact O-N 3.14Å; R247-F249 VanDerWaalsContact C-N 3.29Å; F249-N251 PolarHBondContact O-N 3.41Å
250T38Very low36.3Very low85 Ų85128.9 Ų128.952%0.52166%0.659SS.*  trans-82.256.6161.665.20000109.3L246 D252L246-T250 PolarHBondContact O-N 3.17Å; L246-T250 PolarHBondContact O-OG1 3.31Å; T250-D252 PolarHBondContact O-N 2.96Å
251N36.8Very low35.9Very low125 Ų125129.7 Ų129.767%0.66867%0.674SS**  trans-69.289.6151.4-75.4-45.7000104.9Y248 F249 K253Y248-N251 PolarHBondContact O-ND2 3.06Å; F249-N251 PolarHBondContact O-N 3.41Å; N251-K253 PolarHBondContact O-N 3.35Å
252D37.7Very low35.4Very low119 Ų119132.4 Ų132.464%0.63669%0.688SS**  trans-41.8117.9153.6-74.7-36.2000106T250 N254T250-D252 PolarHBondContact O-N 2.96Å; D252-N254 PolarHBondContact O-N 3.46Å
253K40.8Very low35.2Very low211 Ų211134.8 Ų134.892%0.91770%0.7SS**SBendtrans-61.75.4173.1-71.7-176.3176179.20112.2N251 G255N251-K253 PolarHBondContact O-N 3.35Å; K253-G255 PolarHBondContact O-N 2.82Å
254N36.8Very low34.9Very low132 Ų132134.8 Ų134.871%0.70671%0.711SS**SBendtrans-89.398.8171.8-67.7-13000108.3D252 H256D252-N254 PolarHBondContact O-N 3.46Å; N254-H256 PolarHBondContact O-N 2.83Å
255G31.2Very low34.3Very low67 Ų67134.8 Ų134.869%0.69172%0.719SS**  trans-29.7105.8179.400000114.9K253 S257K253-G255 PolarHBondContact O-N 2.82Å; G255-S257 PolarHBondContact O-N 2.99Å; G255-S257 VanDerWaalsContact O-N 3.11Å
256H31.2Very low33.9Very low175 Ų175134.6 Ų134.681%0.8173%0.729SS**  trans-75.382.9139.3-66.5-46.4000106.4N254 R258N254-H256 PolarHBondContact O-N 2.83Å; H256-R258 PolarHBondContact O-N 3.33Å
257S34Very low33.4Very low107 Ų107135.9 Ų135.975%0.74874%0.736SS**  trans-49.8112.6154.646.10000105.3G255 G259G255-S257 PolarHBondContact O-N 2.99Å; G255-S257 VanDerWaalsContact O-N 3.11Å; S257-G259 PolarHBondContact O-N 3.35Å
258R34.6Very low32.8Very low234 Ų234134.2 Ų134.288%0.88374%0.741SS**  trans-47.3117.9166-80.4174.5157.6149.8-5.2104.9H256 S260H256-R258 PolarHBondContact O-N 3.33Å; R258-S260 PolarHBondContact O-N 3.45Å
259G26.9Very low32.4Very low72 Ų72132.3 Ų132.374%0.74274%0.744SS**  trans-58.782.7170.600000107.5S257 S261S257-G259 PolarHBondContact O-N 3.35Å; G259-S261 VanDerWaalsContact C-N 3.26Å; G259-S261 PolarHBondContact O-N 2.96Å
260S28.6Very low31.8Very low91 Ų91131.3 Ų131.364%0.63675%0.746SS**  trans-59.4104.2155.843.70000103.8R258 L262R258-S260 PolarHBondContact O-N 3.45Å; S260-L262 PolarHBondContact O-N 3.37Å
261S28.7Very low31.4Very low121 Ų121134.3 Ų134.385%0.84676%0.759SS**  trans-53.982166.4-31.10000107.6G259G259-S261 VanDerWaalsContact C-N 3.26Å; G259-S261 PolarHBondContact O-N 2.96Å
262L28.1Very low30.9Very low144 Ų144136.1 Ų136.175%0.75477%0.768SS**  trans-76.9129.9165.9-73173.4000106.4S260S260-L262 PolarHBondContact O-N 3.37Å
263P30.9Very low30.5Very low98 Ų98137 Ų13764%0.63677%0.771SS**  trans-61.5150.4-175.725.3-32.7000110.7T265P263-T265 PolarHBondContact O-N 3.29Å; P263-T265 PolarHBondContact O-OG1 3Å
264P31.9Very low29.9Very low122 Ų122132 Ų13279%0.79276%0.763SS**  trans-57.8114.8-174.223.8-31.6000109.1
265T30.4Very low29.6Very low127 Ų127134.8 Ų134.878%0.77977%0.769SS**  trans-95.599173.9-20.40000106.6P263 N267P263-T265 PolarHBondContact O-N 3.29Å; P263-T265 PolarHBondContact O-OG1 3Å; T265-N267 PolarHBondContact O-N 2.82Å
266D28.3Very low29.5Very low153 Ų153138.7 Ų138.782%0.81877%0.774SS**  trans-62.5103163.7-69.2-36.1000107.3
267N29.6Very low29.3Very low139 Ų139139.1 Ų139.174%0.74378%0.776SS**  trans-145.398.8159.2-130.8-6.6000111.3T265 N269T265-N267 PolarHBondContact O-N 2.82Å; N267-N269 PolarHBondContact O-N 2.91Å; N267-N269 VanDerWaalsContact O-N 3.14Å
268N26.4Very low29.1Very low149 Ų149141.8 Ų141.880%0.79778%0.777SS**  trans-36.8111.7146.6-93.1-32000110.1
269N30.3Very low28.8Very low143 Ų143139.7 Ų139.777%0.76577%0.774SS**  trans-152.3102.9143.1-117.9-14.9000110.2N267 N271N267-N269 PolarHBondContact O-N 2.91Å; N267-N269 VanDerWaalsContact O-N 3.14Å; N269-N271 PolarHBondContact O-N 2.98Å
270N25.9Very low29Very low144 Ų144142.7 Ų142.777%0.7777%0.772SS**  trans-50.7122.9154.9-70.6-35.5000108.6
271N30.1Very low29.1Very low148 Ų148143.7 Ų143.779%0.79178%0.776SS**  trans-154.3103.2147.6-93.9-28.7000109.3N269 I273N269-N271 PolarHBondContact O-N 2.98Å; N271-I273 PolarHBondContact O-N 2.96Å
272N26.4Very low28.9Very low163 Ų163143.6 Ų143.687%0.87278%0.776SS**  trans-59.8112.4163.7-64.8-47.1000109.2
273I30Very low29Very low136 Ų136144.7 Ų144.770%0.69778%0.777SS**  trans-136100152.8-64.4-176000107.7N271 K275N271-I273 PolarHBondContact O-N 2.96Å; I273-K275 HydrophobicContact CG2-CG 4.31Å; I273-K275 PolarHBondContact O-N 3.31Å
274S26.7Very low28.8Very low106 Ų106147.5 Ų147.574%0.74179%0.787SS**  trans-50.6128.3159.346.10000109.9
275K30.5Very low28.7Very low192 Ų192149.5 Ų149.584%0.83579%0.785SS**  trans-124.8114.7160-77.5-171.2177.8-179.90108.1I273I273-K275 HydrophobicContact CG2-CG 4.31Å; I273-K275 PolarHBondContact O-N 3.31Å
276N29.9Very low28.6Very low149 Ų149152.8 Ų152.880%0.79779%0.789SS**  trans-46.3135.7-175.2-68.8-32.3000113.4E278N276-E278 VanDerWaalsContact C-N 3.35Å; N276-E278 PolarHBondContact O-N 3.24Å; N276-E278 VanDerWaalsContact O-N 3.08Å
277E26.6Very low28.6Very low183 Ų183153.3 Ų153.386%0.85579%0.791SS**  trans-68.688.6160.3-66.5-176.5160.900109.2K279E277-K279 PolarHBondContact O-N 2.81Å
278E30.6Very low28.5Very low164 Ų164154 Ų15477%0.76679%0.794SS**  trans-89.294.3169.5-157.3169.6-175.300109.1N276 I280N276-E278 VanDerWaalsContact C-N 3.35Å; N276-E278 PolarHBondContact O-N 3.24Å; N276-E278 VanDerWaalsContact O-N 3.08Å; E278-I280 HydrophobicContact CG-CG1 4.2Å; E278-I280 PolarHBondContact O-N 3.21Å; E278-I280 VanDerWaalsContact O-N 3.16Å
279K27.2Very low28.7Very low189 Ų189153.1 Ų153.182%0.82279%0.794SS**  trans-67.199.9168.3-76.8174.6177.5172.20108.9E277E277-K279 PolarHBondContact O-N 2.81Å
280I31.6Very low28.6Very low135 Ų135158 Ų15869%0.69280%0.802SS**  trans-100.6120.2165.6-56.7179000108.4E278E278-I280 HydrophobicContact CG-CG1 4.2Å; E278-I280 PolarHBondContact O-N 3.21Å; E278-I280 VanDerWaalsContact O-N 3.16Å
281P30.1Very low28.7Very low112 Ų112160.1 Ų160.173%0.72780%0.804SS**  trans-75.3146.3-174.228.3-32.5000113.1E283P281-E283 PolarHBondContact O-N 3.29Å; P281-E283 VanDerWaalsContact O-N 3.11Å
282S26.2Very low28.7Very low120 Ų120157.8 Ų157.884%0.83980%0.799SS**  trans-54.1101.1179.2-43.80000113.2
283E29.1Very low29Very low166 Ų166158 Ų15878%0.77680%0.799SS**  trans-93.5117.6168.4-159.6173.4-160.200109.8P281 Q285P281-E283 PolarHBondContact O-N 3.29Å; P281-E283 VanDerWaalsContact O-N 3.11Å; E283-Q285 VanDerWaalsContact C-N 3.29Å; E283-Q285 PolarHBondContact O-N 3.15Å
284N26.8Very low29.1Very low158 Ų158158.3 Ų158.385%0.84580%0.798SS**  trans-64.679.4179.1-72.4-57.1000111.3K286N284-K286 VanDerWaalsContact C-N 3.34Å; N284-K286 PolarHBondContact O-N 3.29Å
285Q29.3Very low29.4Very low164 Ų164161.2 Ų161.277%0.76680%0.8SS**  trans-7792.5169.1-71.6-170.915.900109.6E283 L287E283-Q285 VanDerWaalsContact C-N 3.29Å; E283-Q285 PolarHBondContact O-N 3.15Å; Q285-L287 PolarHBondContact O-N 2.88Å
286K28.3Very low29.7Very low195 Ų195158.6 Ų158.685%0.84879%0.791SS**  trans-43.496.5162.9-144.2174.6-172.5179.30108.8N284 N288N284-K286 VanDerWaalsContact C-N 3.34Å; N284-K286 PolarHBondContact O-N 3.29Å; K286-N288 PolarHBondContact O-N 2.84Å
287L29.3Very low30.1Very low165 Ų165157.7 Ų157.786%0.86479%0.786SS**  trans-61.6103.1175-92.7158.1000108.4Q285 V289Q285-L287 PolarHBondContact O-N 2.88Å; L287-V289 PolarHBondContact O-N 2.77Å; L287-V289 VanDerWaalsContact O-N 3.07Å
288N28.1Very low30.6Very low152 Ų152155 Ų15581%0.81378%0.776SS**  trans-57.2109.5171-88.4-39000108.9K286 R290K286-N288 PolarHBondContact O-N 2.84Å; N288-R290 PolarHBondContact O-N 2.67Å
289V30.2Very low30.9Very low131 Ų131153.9 Ų153.979%0.79477%0.774SS**  trans-61.999.6167.41780000107.2L287 K291L287-V289 PolarHBondContact O-N 2.77Å; L287-V289 VanDerWaalsContact O-N 3.07Å; V289-K291 PolarHBondContact O-N 2.91Å
290R27.4Very low31.2Very low246 Ų246150.9 Ų150.993%0.92877%0.767SS**  trans-58.5101.8169.2-92-179.8170.4167.9-3.3108.2N288N288-R290 PolarHBondContact O-N 2.67Å
291K29.1Very low31.3Very low189 Ų189151.3 Ų151.382%0.82277%0.771SS**  trans-71153.6157.4-69.8-178.8176.1-179.30108.4V289V289-K291 PolarHBondContact O-N 2.91Å
292S29.1Very low31.5Very low98 Ų98152.9 Ų152.969%0.68577%0.773SS**  trans8686.4167.9-1770000116.7
293L32.2Very low31.7Very low167 Ų167153.8 Ų153.887%0.87477%0.768SS**  trans-120.4112.3134.4-100.6150.6000106
294Q32Very low31.8Very low144 Ų144151.5 Ų151.567%0.67377%0.765SS**  trans-64139.7-175.7-75.3169.6-36.300110.3E296Q294-E296 PolarHBondContact O-N 2.81Å
295Q32.9Very low32Very low167 Ų167152.2 Ų152.278%0.7876%0.763SS**THydrogen-bonded Turntrans-676.2-175.8-163.594.57.700113.9
296E38.1Very low31.8Very low137 Ų137152.8 Ų152.864%0.6477%0.766SS**THydrogen-bonded Turntrans-89.6-17.8-166.4-81.315916500114.4Q294 I298 L299Q294-E296 PolarHBondContact O-N 2.81Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 2.9Å; E296-L299 PolarHBondContact O-N 2.78Å
297D38.8Very low31.8Very low130 Ų130151.8 Ų151.870%0.69576%0.764SS**THydrogen-bonded Turntrans-77.6-12.4177.8-72.9-24.8000114
298I37Very low31.8Very low126 Ų126151.3 Ų151.365%0.64676%0.762SS**THydrogen-bonded Turntrans-86.2-20.6178.3-60177.7000111.5E296E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 2.9Å
299L36Very low31.7Very low140 Ų140152.3 Ų152.373%0.73377%0.767SS**THydrogen-bonded Turntrans-84.3-19.2-175-12974.6000114.4E296E296-L299 PolarHBondContact O-N 2.78Å
300N33.1Very low31.5Very low126 Ų126149.4 Ų149.467%0.67476%0.764SS**SBendtrans-85.8-17.6-178.1-85.1-13.8000114.9
301N34.8Very low31.4Very low144 Ų144147 Ų14777%0.7776%0.764SS**THydrogen-bonded Turntrans-86-5.6-179.4-82.4-30.6000114.7
302L33.6Very low31.2Very low145 Ų145143.8 Ų143.876%0.75976%0.763SS**THydrogen-bonded Turntrans-95.8-6.9177-77.7167.5000114.3
303N30Very low31.1Very low139 Ų139143.6 Ų143.674%0.74376%0.762SS**SBendtrans-99.47.3-174-14113.8000115.3
304V32.2Very low30.7Very low119 Ų119144.5 Ų144.572%0.72176%0.762SS**SBendtrans-108-2.3-174.3-174.80000114.2
305H29.4Very low30.6Very low172 Ų172143.5 Ų143.580%0.79677%0.765SS**  trans-110.518.7-175-106.7-64.8000117.3
306H27.1Very low30.3Very low177 Ų177143.7 Ų143.782%0.81976%0.763SS**  trans-100.350.5170.4-81-56.5000113.3
307Q28.1Very low29.9Very low173 Ų173143.1 Ų143.181%0.80877%0.769SS**  trans-147.497.3157.1-73.1-155.90.800109.2
308N28.1Very low29.2Very low155 Ų155146.1 Ų146.183%0.82977%0.772SS**  trans-16090.4149.3-93.6-26.1000108G310N308-G310 VanDerWaalsContact C-N 3.31Å; N308-G310 PolarHBondContact O-N 2.72Å
309N25.7Very low29Very low173 Ų173145.3 Ų145.393%0.92578%0.775SS**  trans-66.592.4163-67.8-21.1000107.5
310G27.1Very low28.6Very low70 Ų70144.3 Ų144.372%0.72278%0.777SS**  trans-10483.6171.200000109.8N308 C312N308-G310 VanDerWaalsContact C-N 3.31Å; N308-G310 PolarHBondContact O-N 2.72Å; G310-C312 PolarHBondContact O-N 2.97Å
311E24.4Very low28.3Very low197 Ų197144.6 Ų144.692%0.92178%0.783SS**  trans-59.4111.9162.5-68177.8158.400108.4
312C24.9Very low28Very low121 Ų121147 Ų14782%0.81879%0.789SS**  trans-121.4101.5170.7-159.10000109.7G310G310-C312 PolarHBondContact O-N 2.97Å
313S27.6Very low27.7Very low94 Ų94147.6 Ų147.666%0.65779%0.793SS**  trans-14.7130.3166.947.90000118.9V315S313-V315 PolarHBondContact O-N 2.96Å
314H24.6Very low27.6Very low186 Ų186144.2 Ų144.286%0.86179%0.791SS**  trans-54111.4162.8-59.9-77.3000112.8
315V28.9Very low27.4Very low122 Ų122147 Ų14774%0.73980%0.796SS**  trans-97.597163.3-177.80000108.1S313 T317S313-V315 PolarHBondContact O-N 2.96Å; V315-T317 PolarHBondContact O-N 2.8Å
316K27.3Very low27.2Very low172 Ų172145.7 Ų145.775%0.74879%0.794SS**  trans-69.6107.2166.6-77.1173.6173.1178.40108.5Y318K316-Y318 HydrophobicContact CB-CD2 4.29Å; K316-Y318 HydrophobicContact CB-CE2 4.38Å; K316-Y318 HydrophobicContact CD-CE2 4.28Å
317T28.5Very low27.3Very low124 Ų124143.9 Ų143.976%0.76179%0.789SS**  trans-97.491.8169.8-50.70000108.7V315V315-T317 PolarHBondContact O-N 2.8Å
318Y24.5Very low27.2Very low194 Ų194142.3 Ų142.376%0.76178%0.78SS**PPolyproline II helixtrans-86.7126.6163-79.1-86.9000109K316K316-Y318 HydrophobicContact CB-CD2 4.29Å; K316-Y318 HydrophobicContact CB-CE2 4.38Å; K316-Y318 HydrophobicContact CD-CE2 4.28Å
319P32.5Very low27Very low108 Ų108143.3 Ų143.370%0.70178%0.779SS**PPolyproline II helixtrans-79.6140152.330.5-27.9000109.9
320P28.4Very low27Very low120 Ų120142.6 Ų142.678%0.77977%0.77SS**PPolyproline II helixtrans-74.6146.4179.828.5-32000112.8
321T26.9Very low27Very low132 Ų132148.1 Ų148.181%0.8178%0.777SS**PPolyproline II helixtrans-53.7131.8171.628.70000112.7
322H28.2Very low27.2Very low194 Ų194143.6 Ų143.690%0.89877%0.765SS**PPolyproline II helixtrans-82.4117.1163.9-91.4-77.7000109.7G324H322-G324 PolarHBondContact O-N 3.3Å
323D27Very low27.1Very low158 Ų158147.3 Ų147.385%0.84577%0.767SS**  trans-56.3115.1167.2-72.3-48.6000110.7
324G28.1Very low27Very low67 Ų67151.1 Ų151.169%0.69177%0.774SS**  trans-14190.6175.300000109.1H322 L326H322-G324 PolarHBondContact O-N 3.3Å; G324-L326 PolarHBondContact O-N 3.1Å
325H27.2Very low27Very low178 Ų178150.2 Ų150.282%0.82477%0.77SS**  trans-29.9112.1-177.2-77.4-85.9000116.2I327H325-I327 PolarHBondContact O-N 3.26Å
326L26.8Very low27Very low144 Ų144151 Ų15175%0.75477%0.77SS**  trans-72.499.8157.8-75.8161.5000108.6G324 F328G324-L326 PolarHBondContact O-N 3.1Å; L326-F328 HydrophobicContact CB-CD2 3.95Å; L326-F328 HydrophobicContact CB-CE2 3.8Å; L326-F328 HydrophobicContact CD1-CE2 4.08Å; L326-F328 HydrophobicContact CG-CE2 4.36Å; L326-F328 PolarHBondContact O-N 2.63Å
327I28.3Very low26.9Very low139 Ų139150.5 Ų150.571%0.71377%0.771SS**  trans-86.496.5164-59.2-178.8000107.2H325 H329H325-I327 PolarHBondContact O-N 3.26Å; I327-H329 PolarHBondContact O-N 3.25Å
328F25.9Very low27Very low141 Ų141150 Ų15062%0.61877%0.767SS**  trans-69.6105.8165.8-79.7-96.1000109.2L326 H330L326-F328 HydrophobicContact CB-CD2 3.95Å; L326-F328 HydrophobicContact CB-CE2 3.8Å; L326-F328 HydrophobicContact CD1-CE2 4.08Å; L326-F328 HydrophobicContact CG-CE2 4.36Å; L326-F328 PolarHBondContact O-N 2.63Å; F328-H330 AromaticContact CD1-NE2 3.48Å; F328-H330 WeakPolarHBondContact CD1-NE2 3.49Å
329H25.1Very low27Very low176 Ų176149.8 Ų149.882%0.81577%0.77SS**  trans-10294.8156.6-94.6-71.3000108.8I327I327-H329 PolarHBondContact O-N 3.25Å
330H24.7Very low26.7Very low157 Ų157152.9 Ų152.973%0.72778%0.775SS**  trans-72.9121.1159.7-72.9-82.9000108.2F328F328-H330 AromaticContact CD1-NE2 3.48Å; F328-H330 WeakPolarHBondContact CD1-NE2 3.49Å
331Q27Very low26.5Very low187 Ų187155.1 Ų155.187%0.87478%0.775SS**  trans-139.8135.8153.2-141.2171.114.300110.2
332P28.1Very low26.3Very low102 Ų102157 Ų15766%0.66278%0.775SS**  trans-95154.4-155.3-0.422.7000113.2H334P332-H334 PolarHBondContact O-N 3.33Å
333F22.6Very low26.1Very low198 Ų198157 Ų15787%0.86878%0.775SS**  trans4.1106.6150.1-79.4-97000117.1
334H27.1Very low25.9Very low174 Ų174158 Ų15881%0.80678%0.775SS**  trans-117116.6148.8-93.4-76.1000109.4P332P332-H334 PolarHBondContact O-N 3.33Å
335Q24.7Very low26.1Very low168 Ų168159.5 Ų159.579%0.78577%0.772SS**  trans-100.772.7-176.1-168.4-179.233.300107.5Q337Q335-Q337 PolarHBondContact O-N 2.96Å
336D28.2Very low25.9Very low137 Ų137158.3 Ų158.373%0.73377%0.767SS**  trans-90.9103176.6-77.2-34.6000110.6V338D336-V338 PolarHBondContact O-N 3.46Å
337Q25.6Very low25.9Very low162 Ų162161.2 Ų161.276%0.75777%0.769SS**  trans-63.7106.7163.6-66.6-179.322.100109.2Q335Q335-Q337 PolarHBondContact O-N 2.96Å
338V29.3Very low25.7Very low113 Ų113161.8 Ų161.869%0.68577%0.769SS**  trans-116.994.5160.9-1750000108.6D336 Q340D336-V338 PolarHBondContact O-N 3.46Å; V338-Q340 HydrophobicContact CG1-CG 4.01Å; V338-Q340 PolarHBondContact O-N 3.13Å
339K24.6Very low25.8Very low190 Ų190163.3 Ų163.383%0.82678%0.783SS**  trans-66106.5159.6-72.9175176.21760108
340Q27.6Very low25.9Very low173 Ų173162.1 Ų162.181%0.80878%0.782SS**  trans-129.9106.8159.4-79-165.15.400111.3V338V338-Q340 HydrophobicContact CG1-CG 4.01Å; V338-Q340 PolarHBondContact O-N 3.13Å
341H24.3Very low25.8Very low168 Ų168157.2 Ų157.278%0.77878%0.775SS**  trans8.7123148.3-76.882.2000119.7
342Q21.9Very low25.8Very low171 Ų171155.7 Ų155.780%0.79977%0.772SS**  32.6108.7123.6-75.3177.1-0.900117.4
343Q24.7Very low25.9Very low194 Ų194160.1 Ų160.191%0.90778%0.781SS**  -156.395.9129.6-105.8164.568.600107.7P345Q343-P345 WeakPolarHBondContact O-CD 3.25Å
344Q23.2Very low26.2Very low179 Ų179155.3 Ų155.384%0.83677%0.768SS**  trans-77.3118162.7-82.1-176-7.500107.6Q346Q344-Q346 PolarHBondContact O-N 3Å; Q344-Q346 VanDerWaalsContact O-N 3.16Å
345P30.3Very low26.2Very low99 Ų99155.1 Ų155.164%0.64377%0.767SS**  trans-77.798.8164.7-5.224.1000107.3Q343 Y347Q343-P345 WeakPolarHBondContact O-CD 3.25Å; P345-Y347 VanDerWaalsContact C-N 3.3Å; P345-Y347 HydrophobicContact CB-CD2 3.95Å; P345-Y347 HydrophobicContact CB-CE2 3.65Å; P345-Y347 PolarHBondContact O-N 3.32Å
346Q24.4Very low26.3Very low152 Ų152155 Ų15571%0.7177%0.766SS**  trans-64.794.5160-86-129.5-24.500108Q344 Q348Q344-Q346 PolarHBondContact O-N 3Å; Q344-Q346 VanDerWaalsContact O-N 3.16Å; Q346-Q348 VanDerWaalsContact C-N 3.32Å; Q346-Q348 PolarHBondContact O-N 2.93Å; Q346-Q348 VanDerWaalsContact O-N 3.14Å
347Y26.8Very low26.2Very low205 Ų205154.8 Ų154.880%0.80477%0.765SS**  trans-79.293.3161-76.3-77.1000107.9P345 L349P345-Y347 VanDerWaalsContact C-N 3.3Å; P345-Y347 HydrophobicContact CB-CD2 3.95Å; P345-Y347 HydrophobicContact CB-CE2 3.65Å; P345-Y347 PolarHBondContact O-N 3.32Å; Y347-L349 PolarHBondContact O-N 3.4Å; Y347-L349 VanDerWaalsContact O-N 3.1Å
348Q24.2Very low26.4Very low152 Ų152152.6 Ų152.671%0.7177%0.765SS**  trans-65.4101.3168-140.2148.6-0.800107.3Q346 N350Q346-Q348 VanDerWaalsContact C-N 3.32Å; Q346-Q348 PolarHBondContact O-N 2.93Å; Q346-Q348 VanDerWaalsContact O-N 3.14Å; Q348-N350 PolarHBondContact O-N 3.42Å
349L28.3Very low26.4Very low173 Ų173152.5 Ų152.591%0.90677%0.768SS**  trans-69.884.1169.7-78.1165000107.8Y347 G351Y347-L349 PolarHBondContact O-N 3.4Å; Y347-L349 VanDerWaalsContact O-N 3.1Å; L349-G351 PolarHBondContact O-N 3.13Å; L349-G351 VanDerWaalsContact O-N 3.14Å
350N26.5Very low26.6Very low150 Ų150150.6 Ų150.680%0.80277%0.766SS**  trans-63.8111.6167.5-98.6-3.9000108.2Q348 N352Q348-N350 PolarHBondContact O-N 3.42Å; N350-N352 PolarHBondContact O-N 3.47Å
351G23.4Very low26.6Very low55 Ų55150 Ų15057%0.56777%0.767SS**  trans-62.7127.617300000110.7L349L349-G351 PolarHBondContact O-N 3.13Å; L349-G351 VanDerWaalsContact O-N 3.14Å
352N27.2Very low26.6Very low154 Ų154149.6 Ų149.682%0.82477%0.767SS**  trans-123.786.2145.4-85.7-17.4000105.7N350 V354N350-N352 PolarHBondContact O-N 3.47Å; N352-V354 HydrophobicContact CB-CG2 4.43Å; N352-V354 PolarHBondContact O-N 3.25Å
353F28.5Very low26.9Very low195 Ų195147.1 Ų147.186%0.85577%0.766SS**  trans-67.683163.2-85.5-88.6000107.3H355F353-H355 PolarHBondContact O-N 3.38Å; F353-H355 VanDerWaalsContact O-N 3.15Å
354V29.4Very low27.1Very low98 Ų98144 Ų14459%0.59476%0.76SS**  trans-74.4102164.8-179.50000105.5N352 H356N352-V354 HydrophobicContact CB-CG2 4.43Å; N352-V354 PolarHBondContact O-N 3.25Å; V354-H356 PolarHBondContact O-N 2.7Å
355H26.9Very low27.2Very low169 Ų169145.8 Ų145.878%0.78276%0.761SS**  trans-56.3101.3167.7-90.2-91.6000108.1F353 D357F353-H355 PolarHBondContact O-N 3.38Å; F353-H355 VanDerWaalsContact O-N 3.15Å; H355-D357 PolarHBondContact O-N 2.94Å
356H27.5Very low27.1Very low166 Ų166146.8 Ų146.877%0.76977%0.765SS**  trans-76.7103.1163.1-68.8-65000106.8V354V354-H356 PolarHBondContact O-N 2.7Å
357D25.3Very low27.4Very low133 Ų133143.4 Ų143.471%0.71176%0.757SS**  trans-55.2130.1164-78.7-34.7000108.1H355 C359H355-D357 PolarHBondContact O-N 2.94Å; D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.95Å
358P30.8Very low27.5Very low115 Ų115138.5 Ų138.575%0.74776%0.758SS**  trans-66.794178.426-31.6000108.3I360P358-I360 VanDerWaalsContact C-N 3.31Å; P358-I360 PolarHBondContact O-N 2.75Å
359C28.4Very low27.7Very low111 Ų111137.7 Ų137.775%0.7576%0.759SS**  trans-62.3100.5165-62.80000107D357 L361D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.95Å; C359-L361 PolarHBondContact O-N 2.74Å
360I29.4Very low27.8Very low151 Ų151136.7 Ų136.777%0.77476%0.755SS**  trans-60.897162.6-60.8173.2000104.8P358 M362P358-I360 VanDerWaalsContact C-N 3.31Å; P358-I360 PolarHBondContact O-N 2.75Å; I360-M362 PolarHBondContact O-N 3Å
361L27.8Very low28Very low161 Ų161136.7 Ų136.784%0.84375%0.753SS**  trans-62.991.5169.3-85.9157.8000106.6C359 P363C359-L361 PolarHBondContact O-N 2.74Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å
362M24.7Very low28.3Very low158 Ų158142.1 Ų142.178%0.77876%0.764SS**  trans-61.1116.3170.6-135.8149.167.200106I360 T364I360-M362 PolarHBondContact O-N 3Å; M362-T364 PolarHBondContact O-N 2.78Å
363P27.8Very low28.3Very low119 Ų119145.3 Ų145.377%0.77377%0.765SS**  trans-61.5112.5-177.822.4-30.6000107.9L361 Y365L361-P363 WeakPolarHBondContact O-CD 3.46Å; P363-Y365 PolarHBondContact O-N 2.73Å
364T27.5Very low28.3Very low129 Ų129142.5 Ų142.579%0.79176%0.757SS**  trans-59.9107.6174.6-340000107.1M362 V366M362-T364 PolarHBondContact O-N 2.78Å; T364-V366 VanDerWaalsContact C-N 3.31Å; T364-V366 PolarHBondContact O-N 2.78Å
365Y26.5Very low28.2Very low216 Ų216144.9 Ų144.985%0.84777%0.767SS**  trans-63.993.8174.3-167.9-96000107.4P363 P367P363-Y365 PolarHBondContact O-N 2.73Å; Y365-P367 VanDerWaalsContact O-CD 3.24Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å
366V28.9Very low28.3Very low121 Ų121141.9 Ų141.973%0.73376%0.764SS**  trans-81.7111170.4-179.30000106.2T364 A368T364-V366 VanDerWaalsContact C-N 3.31Å; T364-V366 PolarHBondContact O-N 2.78Å; V366-A368 PolarHBondContact O-N 2.79Å; V366-A368 VanDerWaalsContact O-N 3.16Å
367P29.8Very low28.4Very low81 Ų81138.7 Ų138.753%0.52676%0.76SS.*  trans-61.3121.6176.923.4-30000108.5Y365 N369Y365-P367 VanDerWaalsContact O-CD 3.24Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-N369 PolarHBondContact O-N 2.74Å
368A29.2Very low28.7Very low102 Ų102141.3 Ų141.384%0.84377%0.767SS**  trans-68.969.8171.200000109.8V366 D370V366-A368 PolarHBondContact O-N 2.79Å; V366-A368 VanDerWaalsContact O-N 3.16Å; A368-D370 PolarHBondContact O-N 2.89Å
369N28.1Very low28.6Very low135 Ų135144.7 Ų144.772%0.72277%0.773SS**  trans-84.572.7160.7-85.2-22.6000107.6P367P367-N369 PolarHBondContact O-N 2.74Å
370D30.8Very low28.5Very low152 Ų152150.1 Ų150.181%0.81378%0.778SS**  trans-137.489.9156.7-89.7-36.5000108.7A368 Q372A368-D370 PolarHBondContact O-N 2.89Å; D370-Q372 PolarHBondContact O-N 2.93Å
371L29.3Very low28.6Very low149 Ų149149.6 Ų149.678%0.7878%0.775SS**  trans-58.274.7167.2-70.1159.4000110.1R373L371-R373 PolarHBondContact O-N 2.79Å
372Q30.1Very low28.7Very low169 Ų169151.9 Ų151.979%0.7977%0.772SS**  trans-74.989.2158.4-73.8-165.50.500107.8D370 I374D370-Q372 PolarHBondContact O-N 2.93Å; Q372-I374 PolarHBondContact O-N 2.81Å
373R27.5Very low28.9Very low221 Ų221152.3 Ų152.383%0.83477%0.772SS**  trans-56.184.3164-67.4177.7-173.3-103.71108.4L371 N375L371-R373 PolarHBondContact O-N 2.79Å; R373-N375 PolarHBondContact O-N 3.12Å
374I28.8Very low29Very low136 Ų136156 Ų15670%0.69778%0.777SS**  trans-71.9106.5164.4-59.3178.1000105.3Q372 C376Q372-I374 PolarHBondContact O-N 2.81Å; I374-C376 PolarHBondContact O-N 2.74Å
375N27.7Very low29.1Very low149 Ų149155.1 Ų155.180%0.79778%0.775SS**  trans-65.876178.9-162-1.5000109R373 S377R373-N375 PolarHBondContact O-N 3.12Å; N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.46Å
376C27.5Very low29.2Very low106 Ų106148.1 Ų148.172%0.71677%0.769SS**  trans-72.290.4173-73.90000107.9I374 H378I374-C376 PolarHBondContact O-N 2.74Å; C376-H378 PolarHBondContact O-N 2.97Å; C376-H378 VanDerWaalsContact O-N 3.09Å
377S29.3Very low29Very low98 Ų98150.6 Ų150.669%0.68577%0.773SS**  trans-49.2115.8170.755.60000110.1N375 Q379N375-S377 VanDerWaalsContact C-N 3.28Å; N375-S377 PolarHBondContact O-N 3.46Å; S377-Q379 PolarHBondContact O-N 2.87Å
378H32.2Very low28.9Very low189 Ų189155.7 Ų155.788%0.87579%0.789SS**  trans-27.985.2171.6-55.585.9000114.8C376 R380C376-H378 PolarHBondContact O-N 2.97Å; C376-H378 VanDerWaalsContact O-N 3.09Å; H378-R380 PolarHBondContact O-N 2.69Å; H378-R380 VanDerWaalsContact O-N 3.13Å
379Q28.6Very low28.9Very low185 Ų185156.9 Ų156.986%0.86478%0.78SS**  trans-81.995.3166.4-151.3162.135.900106.8S377 I381S377-Q379 PolarHBondContact O-N 2.87Å; Q379-I381 PolarHBondContact O-N 2.72Å
380R27.3Very low28.9Very low225 Ų225157.8 Ų157.885%0.84979%0.785SS**  trans-53.796.1-179.4-173.6-177.8-76.5170.8-5.2110H378 R382H378-R380 PolarHBondContact O-N 2.69Å; H378-R380 VanDerWaalsContact O-N 3.13Å; R380-R382 PolarHBondContact O-N 2.73Å; R380-R382 VanDerWaalsContact O-N 3.1Å
381I32Very low28.8Very low140 Ų140158.4 Ų158.472%0.71878%0.783SS**  trans-66.1106.9169.7-62.1171.6000106.1Q379 H383Q379-I381 PolarHBondContact O-N 2.72Å; I381-H383 PolarHBondContact O-CD2 2.82Å; I381-H383 PolarHBondContact O-N 2.88Å
382R30Very low28.7Very low209 Ų209159.4 Ų159.479%0.78978%0.784SS**  trans-74.5104.5174.2-79.6-174.3-95-131.5-2.5107.9R380 F384R380-R382 PolarHBondContact O-N 2.73Å; R380-R382 VanDerWaalsContact O-N 3.1Å; R382-F384 PolarHBondContact O-N 2.77Å
383H28.5Very low28.7Very low167 Ų167156.4 Ų156.477%0.77378%0.779SS**  trans-67.6113.8166.5-67.8-99.4000108I381 S385I381-H383 PolarHBondContact O-CD2 2.82Å; I381-H383 PolarHBondContact O-N 2.88Å; H383-S385 PolarHBondContact O-N 3.17Å
384F29.2Very low28.7Very low198 Ų198152.4 Ų152.487%0.86877%0.772SS**  trans-70.4105.9166.7-72.1-89000107.3R382 G386R382-F384 PolarHBondContact O-N 2.77Å; F384-G386 PolarHBondContact O-N 3.18Å
385S30.3Very low28.8Very low109 Ų109154.9 Ų154.976%0.76278%0.779SS**  trans-70.1114.8169.371.80000107.8H383 H387H383-S385 PolarHBondContact O-N 3.17Å; S385-H387 PolarHBondContact O-N 3.39Å
386G27.5Very low28.7Very low70 Ų70157.2 Ų157.272%0.72278%0.778SS**  trans-55.3121.3174.600000110.2F384 Q388F384-G386 PolarHBondContact O-N 3.18Å; G386-Q388 PolarHBondContact O-N 2.94Å
387H25.3Very low28.7Very low173 Ų173159 Ų15980%0.80178%0.78SS**  trans-59.2120.6163-100.6-1.4000108S385 I389S385-H387 PolarHBondContact O-N 3.39Å; H387-I389 VanDerWaalsContact C-N 3.29Å; H387-I389 PolarHBondContact O-N 3.3Å
388Q28.1Very low28.4Very low187 Ų187161 Ų16187%0.87478%0.783SS**  trans-64.292.5165.3-77.3174.9-24.600107.7G386 N390G386-Q388 PolarHBondContact O-N 2.94Å; Q388-N390 PolarHBondContact O-N 3.32Å
389I28.5Very low28.2Very low128 Ų128162.7 Ų162.766%0.65678%0.782SS**  trans-76.1108.2167.2-53.1175.4000105.2H387 E391H387-I389 VanDerWaalsContact C-N 3.29Å; H387-I389 PolarHBondContact O-N 3.3Å; I389-E391 HydrophobicContact CB-CG 4.33Å; I389-E391 HydrophobicContact CG2-CG 3.68Å; I389-E391 PolarHBondContact O-N 2.99Å
390N28Very low28.2Very low154 Ų154160.1 Ų160.182%0.82477%0.774SS**  trans-62.779.2166.5-82.9-26.6000108.6Q388 Q392Q388-N390 PolarHBondContact O-N 3.32Å; N390-Q392 PolarHBondContact O-N 3.17Å
391E29.2Very low28.1Very low165 Ų165157.1 Ų157.177%0.77178%0.775SS**  trans-79.275.4169.5-67.5-167.3171.600108.7I389 P393I389-E391 HydrophobicContact CB-CG 4.33Å; I389-E391 HydrophobicContact CG2-CG 3.68Å; I389-E391 PolarHBondContact O-N 2.99Å; E391-P393 WeakPolarHBondContact O-CD 3.4Å
392Q27.9Very low27.8Very low170 Ų170158.4 Ų158.479%0.79478%0.782SS**  trans-72.2119.2152.3-85.7-171.3-700107.2N390 I394N390-Q392 PolarHBondContact O-N 3.17Å; Q392-I394 PolarHBondContact O-N 3.5Å
393P29.2Very low27.7Very low105 Ų105155.7 Ų155.768%0.68278%0.782SS**  trans-69.699.9-179.626.4-31.8000109.3E391 F395E391-P393 WeakPolarHBondContact O-CD 3.4Å; P393-F395 PolarHBondContact O-N 2.86Å; P393-F395 VanDerWaalsContact O-N 3.1Å
394I28.4Very low27.6Very low137 Ų137155.6 Ų155.670%0.70378%0.784SS**  trans-71.4104170-59174.2000106.9Q392 Y396Q392-I394 PolarHBondContact O-N 3.5Å; I394-Y396 HydrophobicContact CG2-CD2 3.82Å; I394-Y396 HydrophobicContact CG2-CE2 3.84Å; I394-Y396 PolarHBondContact O-N 3.07Å
395F29.9Very low27.4Very low189 Ų189152.5 Ų152.583%0.82979%0.788SS**  trans-61.492.4170.6-76.7-88.6000110.1P393 N397P393-F395 PolarHBondContact O-N 2.86Å; P393-F395 VanDerWaalsContact O-N 3.1Å; F395-N397 PolarHBondContact O-N 3.23Å
396Y26.6Very low27.1Very low197 Ų197149.4 Ų149.477%0.77377%0.773SS**  trans-79.898.7161.5-95.6-84.9000109.2I394 N398I394-Y396 HydrophobicContact CG2-CD2 3.82Å; I394-Y396 HydrophobicContact CG2-CE2 3.84Å; I394-Y396 PolarHBondContact O-N 3.07Å; Y396-N398 VanDerWaalsContact C-N 3.28Å; Y396-N398 PolarHBondContact O-N 3.17Å
397N26Very low27Very low145 Ų145156.8 Ų156.878%0.77578%0.78SS**  trans-59.887.4160.3-93.2-40.3000109.4F395 R399F395-N397 PolarHBondContact O-N 3.23Å; N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 2.95Å
398N24.8Very low27.1Very low140 Ų140155.5 Ų155.575%0.74978%0.778SS**  trans-93.671.1171.8-124.4-19.9000109.8Y396 N400Y396-N398 VanDerWaalsContact C-N 3.28Å; Y396-N398 PolarHBondContact O-N 3.17Å; N398-N400 VanDerWaalsContact C-N 3.32Å; N398-N400 PolarHBondContact O-N 2.87Å
399R26.9Very low27Very low224 Ų224153.6 Ų153.685%0.84577%0.774SS**  trans-73.290.6157.2-74.6-176.8-178.81730.2106.5N397N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 2.95Å
400N28.1Very low26.9Very low130 Ų130155.8 Ų155.870%0.69578%0.781SS**  trans-177.479.3159.6-87.7-22.1000109.2N398N398-N400 VanDerWaalsContact C-N 3.32Å; N398-N400 PolarHBondContact O-N 2.87Å
401N26.2Very low27Very low162 Ų162154.8 Ų154.887%0.86678%0.776SS**  trans-145.368.2153.8-91.2-28.4000107.3L403N401-L403 PolarHBondContact O-N 2.81Å
402L26.2Very low26.7Very low168 Ų168155.7 Ų155.788%0.8878%0.78SS**  trans-80.390.2155-90.4105.7000106.9
403L26.9Very low26.8Very low151 Ų151157.1 Ų157.179%0.79178%0.784SS**  trans-138.2126.4158.8-119.499.9000107.3N401N401-L403 PolarHBondContact O-N 2.81Å
404M27Very low26.5Very low165 Ų165159.2 Ų159.281%0.81379%0.789SS**  trans78.765.3177.5-64.9-64.398.400117.3
405S25.1Very low26.2Very low134 Ų134157.7 Ų157.794%0.93779%0.791SS**  trans-108.985.7138.9-174.20000107.3
406G23.7Very low26.2Very low44 Ų44153.8 Ų153.845%0.45479%0.787SS.*  trans-127.2130.3172.400000108.4
407Y25.8Very low26Very low224 Ų224154.7 Ų154.788%0.87879%0.79SS**SBendtrans95112.3162.6-61-78.7000118.9
408I26.8Very low26.1Very low146 Ų146155.7 Ų155.775%0.74980%0.796SS**  trans89.382.4149.1-50.6151.4000115.2
409N25.3Very low26.1Very low147 Ų147156.1 Ų156.179%0.78679%0.793SS**  trans-128.981.1148.1-140.6-12.3000107N411N409-N411 VanDerWaalsContact C-N 3.31Å; N409-N411 PolarHBondContact O-N 3.46Å; N409-N411 PolarHBondContact OD1-ND2 3.41Å
410Q26.6Very low26.1Very low174 Ų174153.4 Ų153.481%0.81379%0.794SS**  trans-79.984.7167.5-82.3177-15.900107.4
411N29.9Very low26Very low133 Ų133154.6 Ų154.671%0.71180%0.796SS**  trans-120.795160.6-78.9-41.5000106.9N409 F413N409-N411 VanDerWaalsContact C-N 3.31Å; N409-N411 PolarHBondContact O-N 3.46Å; N409-N411 PolarHBondContact OD1-ND2 3.41Å; N411-F413 PolarHBondContact O-N 2.78Å
412H23Very low26.1Very low185 Ų185153.3 Ų153.386%0.85679%0.794SS**  trans-57.2110.9159.9-87.2-65.9000108.5
413F29.5Very low26.2Very low200 Ų200151.2 Ų151.288%0.87779%0.788SS**  trans-150.4146145.8-91.1-68.5000109.4N411N411-F413 PolarHBondContact O-N 2.78Å
414D24.8Very low26.1Very low148 Ų148151.5 Ų151.579%0.79179%0.791SS**  trans-65.5158.8-154.5-74.7-61.6000117.5
415S22Very low26.2Very low105 Ų105151.5 Ų151.573%0.73479%0.794SS**  trans-36.6132.2161.343.40000116.5
416S28.8Very low26.3Very low107 Ų107152.3 Ų152.375%0.74879%0.786SS**  -172.5111.612956.10000112
417Y22.8Very low26.3Very low216 Ų216158.9 Ų158.985%0.84780%0.802SS**  trans27.5113138.3-78.9-98.7000119.4
418N28.8Very low26.5Very low166 Ų166158.6 Ų158.689%0.88881%0.805SS**  -160.9127.5118.2-98.7-37.6000111.7
419H23.9Very low26.3Very low150 Ų150160.6 Ų160.669%0.69481%0.812SS**  trans-90.7117.4-173.2-175.318.1000108.7
420L27.9Very low26.4Very low167 Ų167159.6 Ų159.687%0.87482%0.816SS**  trans-125.3106.6167.1-100.3149.1000108.7
421Q24.7Very low26.4Very low155 Ų155156.4 Ų156.472%0.72481%0.813SS**  trans-92.6119.6-178.5-166.1178.940.200107.5
422T28.7Very low26.2Very low135 Ų135158.1 Ų158.183%0.82882%0.817SS**  trans-136.7136.3164.540.50000110.3
423T28.6Very low26.4Very low124 Ų124155.9 Ų155.976%0.76182%0.816SS**  trans-88141.9-151.629.30000113.9
424N23.8Very low26.2Very low157 Ų157153.2 Ų153.284%0.8481%0.811SS**  trans-71.3124.6169.9-71.2-46.4000110.4
425N29Very low26.4Very low165 Ų165155.7 Ų155.788%0.88282%0.815SS**  trans-106.2137.3166.8-94.4-35.9000111.2
426I27.8Very low26.4Very low150 Ų150157.8 Ų157.877%0.76982%0.816SS**  trans-95.1145.6-157.8-69.1165.4000112.1
427K23.3Very low26.3Very low182 Ų182160.5 Ų160.579%0.79182%0.822SS**  trans-15.4139.4158.2-67.7170.5173.3175.20117.9
428K30.1Very low26.3Very low218 Ų218156.3 Ų156.395%0.94881%0.814SS**  trans-137.4119.5140.1-76.4-170.5177.9177.80110.7
429Q24.2Very low26.1Very low189 Ų189154.8 Ų154.888%0.88381%0.806SS**  trans-92147.3166.9-77.8176.2-40.300109
430S26.3Very low26.2Very low125 Ų125154.8 Ų154.887%0.87481%0.806SS**  trans-143.7140.7161.463.70000111.1
431S27.6Very low26.1Very low107 Ų107155.9 Ų155.975%0.74881%0.806SS**  trans-109.3149.8-161.8-41.20000113.2
432Q24.8Very low26.2Very low170 Ų170155 Ų15579%0.79481%0.811SS**  trans46.3125143-92.4169.8-24.900121.5
433T27.8Very low26Very low138 Ų138156 Ų15685%0.84780%0.804SS**  trans-148.9105.9148.3-3.80000110.3
434N24.7Very low25.7Very low144 Ų144159.9 Ų159.977%0.7781%0.806SS**  trans-82.5128168.2-84.9-32.6000108.9
435K28.4Very low25.6Very low199 Ų199163.5 Ų163.587%0.86581%0.808SS**  trans-124.9113.3162.8-85.3-174.9177.1178.20109.5
436I22Very low25.4Very low149 Ų149160 Ų16076%0.76480%0.797SS**  trans-82.7132.8170.4-67.4162.4000107.3
437L28.1Very low25.3Very low165 Ų165159.1 Ų159.186%0.86480%0.801SS**  trans-140102.2164.9-113.3140.9000108.7
438N22.3Very low25.5Very low127 Ų127156.1 Ų156.168%0.67980%0.803SS**  trans-67.6147.5161.9-90.4-28.1000109.5
439N24.3Very low25.1Very low135 Ų135151.5 Ų151.572%0.72280%0.798SS**  176.2120.7124.3-86.1-19.3000113.1
440H26.3Very low25.2Very low150 Ų150147.6 Ų147.669%0.69479%0.791SS**  trans43.1114.1137.5-58.6-68.6000121.3
441H25.4Very low25.1Very low190 Ų190146.4 Ų146.488%0.8878%0.783SS**  -147.4129.4128.6-111.936.8000112.2
442V26.4Very low24.8Very low137 Ų137147.6 Ų147.683%0.8379%0.786SS**  trans-90.6149.5-169.8169.80000110.2
443F24.6Very low24.9Very low156 Ų156145.7 Ų145.768%0.68479%0.791SS**  trans-109.4148.1-168.7-99.3-82.1000112.6
444Y22.2Very low24.4Very low205 Ų205149.6 Ų149.680%0.80479%0.792SS**  trans68.9138.9161.3-61-68.1000117.6
445R21.7Very low24.4Very low232 Ų232148.2 Ų148.288%0.87579%0.789SS**  -170155.758.6-162.5-175.2-169-1792.1111.4
446S25.9Very low24.1Very low93 Ų93143.5 Ų143.565%0.6578%0.781SS**  trans101.4106.8151-53.20000118.3
447P24.6Very low24.4Very low131 Ų131144.5 Ų144.585%0.85178%0.783SS**  trans-89.9130.7163.332.3-24.7000110.7
448S27.7Very low24.2Very low118 Ų118142.9 Ų142.983%0.82578%0.78SS**  trans-123.7119.6169-57.70000108.8
449S21.5Very low24.4Very low122 Ų122145.6 Ų145.685%0.85379%0.786SS**  trans-87.6130.5178.441.20000111.8
450S27.5Very low24.4Very low106 Ų106146.4 Ų146.474%0.74179%0.79SS**  trans-162101.4158.140.60000107.5
451S22.8Very low24.5Very low100 Ų100144 Ų14470%0.69979%0.788SS**  65.5100.392.470.10000114
452T21Very low24.5Very low132 Ų132141.7 Ų141.781%0.8178%0.782SS**  trans44.4119.1134.252.30000118.8
453S27.9Very low24.7Very low130 Ų130141.8 Ų141.891%0.90978%0.782SS**  trans-160.4147.9131.6-80.70000111.2
454Y18.1Very low24.8Very low220 Ų220142 Ų14286%0.86379%0.79SS**  trans-86.5176.1-161.8-123.8-108.7000112.9
455T23.2Very low25.1Very low116 Ų116140.3 Ų140.371%0.71279%0.789SS**  trans84.9115.3153.960.10000121.4
456S23.1Very low25.4Very low99 Ų99138.2 Ų138.269%0.69279%0.789SS**  trans56117.4135.959.50000119.7
457Q27.4Very low25.4Very low170 Ų170139.5 Ų139.579%0.79479%0.793SS**  -171.8126.294.2-94.3-176.928.300110.7
458T23.5Very low25.7Very low132 Ų132138.9 Ų138.981%0.8179%0.789SS**  trans-37.1128.6155.441.10000113.3
459K26.7Very low25.8Very low184 Ų184138.3 Ų138.380%0.879%0.785SS**  trans-154.3116.2150.1-109.2169.2-168.1-179.60112.2
460N25.6Very low26Very low152 Ų152136.4 Ų136.481%0.81378%0.776SS**  trans82.8125.5152.2-70.3-21.5000122.1
461P28.1Very low26.1Very low100 Ų100141.5 Ų141.565%0.64978%0.781SS**  trans-96.4176178.941.8-35.6000112.3
462N25.1Very low26.4Very low140 Ų140146.3 Ų146.375%0.74979%0.789SS**  trans76.574.1156-59.7-20.5000117.2
463V29.6Very low26.7Very low139 Ų139150.5 Ų150.584%0.84279%0.792SS**  trans-109.588.4142.7-176.30000106.4E465V463-E465 PolarHBondContact O-N 2.93Å
464L28.1Very low26.8Very low161 Ų161149.3 Ų149.384%0.84378%0.784SS**  trans-85.596.2171.4-146.485.6000106.4H466L464-H466 PolarHBondContact O-N 3.4Å
465E27.5Very low27.4Very low169 Ų169146.8 Ų146.879%0.7978%0.784SS**  trans-67.3118.5171-90.1-173.515100109.5V463 V467V463-E465 PolarHBondContact O-N 2.93Å; E465-V467 PolarHBondContact O-N 2.85Å; E465-V467 VanDerWaalsContact O-N 3.13Å
466H27.6Very low27.8Very low189 Ų189149.8 Ų149.888%0.87579%0.79SS**  trans-64.1103.9171.8-96.4-66.4000110.3L464L464-H466 PolarHBondContact O-N 3.4Å
467V27.3Very low28Very low120 Ų120155.7 Ų155.773%0.72780%0.797SS**  trans-90.6127.7163.7-177.70000108.5E465 S469E465-V467 PolarHBondContact O-N 2.85Å; E465-V467 VanDerWaalsContact O-N 3.13Å; V467-S469 PolarHBondContact O-N 2.68Å
468P31Very low28Very low118 Ų118157.9 Ų157.977%0.76680%0.798SS**  trans-62.1129.7-175.3-19.931000112.3A470P468-A470 PolarHBondContact O-N 2.73Å; P468-A470 VanDerWaalsContact O-N 3.13Å
469S28.1Very low28.3Very low106 Ų106158.6 Ų158.674%0.74180%0.797SS**  trans-59.8109.7178.4-50.40000111.3V467 Y471V467-S469 PolarHBondContact O-N 2.68Å; S469-Y471 PolarHBondContact O-N 2.9Å
470A27.6Very low28.5Very low82 Ų82158.2 Ų158.268%0.67880%0.798SS**  trans-67.4116.7165.700000108.7P468 F472P468-A470 PolarHBondContact O-N 2.73Å; P468-A470 VanDerWaalsContact O-N 3.13Å; A470-F472 PolarHBondContact O-N 2.77Å; A470-F472 VanDerWaalsContact O-N 3.09Å
471Y28.9Very low28.7Very low212 Ų212155.8 Ų155.883%0.83179%0.793SS**  trans-61.2106.5177.5-73.1-95.6000110.4S469 Y473S469-Y471 PolarHBondContact O-N 2.9Å; Y471-Y473 PolarHBondContact O-N 3.19Å
472F28.5Very low28.6Very low201 Ų201156.7 Ų156.788%0.88280%0.801SS**  trans-74.3103.6167.8-80.6-87.7000109A470 S474A470-F472 PolarHBondContact O-N 2.77Å; A470-F472 VanDerWaalsContact O-N 3.09Å; F472-S474 PolarHBondContact O-N 2.83Å; F472-S474 VanDerWaalsContact O-N 3.08Å
473Y27.1Very low28.9Very low220 Ų220154.5 Ų154.586%0.86380%0.797SS**  trans-68.597.7162.3-79.3-87.8000108.6Y471 L475Y471-Y473 PolarHBondContact O-N 3.19Å; Y473-L475 PolarHBondContact O-N 2.7Å
474S31.5Very low28.6Very low106 Ų106155.6 Ų155.674%0.74180%0.798SS**  trans-75.3103.9165.646.40000108.8F472 Q476F472-S474 PolarHBondContact O-N 2.83Å; F472-S474 VanDerWaalsContact O-N 3.08Å; S474-Q476 VanDerWaalsContact C-N 3.26Å; S474-Q476 PolarHBondContact O-N 2.89Å
475L29.9Very low28.7Very low167 Ų167153.7 Ų153.787%0.87479%0.794SS**  trans-65.589.6166.2-84.6155.2000108.5Y473 R477Y473-L475 PolarHBondContact O-N 2.7Å; L475-R477 PolarHBondContact O-N 2.92Å
476Q31Very low28.8Very low178 Ų178154.3 Ų154.383%0.83279%0.794SS**  trans-66.697.4176.1-166.5164.311.200109S474 R478S474-Q476 VanDerWaalsContact C-N 3.26Å; S474-Q476 PolarHBondContact O-N 2.89Å; Q476-R478 PolarHBondContact O-N 2.91Å
477R27.8Very low28.7Very low223 Ų223154.2 Ų154.284%0.84279%0.793SS**  trans-62106.7169.2-69.3-171.1-169.5-136.93.6107.8L475 N479L475-R477 PolarHBondContact O-N 2.92Å; R477-N479 PolarHBondContact O-N 3.06Å
478R28.2Very low28.9Very low216 Ų216156.8 Ų156.882%0.81580%0.797SS**  trans-63.699.9167.9-81.3-174.9-168.7131.73.1108.2Q476 H480Q476-R478 PolarHBondContact O-N 2.91Å; R478-H480 PolarHBondContact O-N 3.25Å
479N28.6Very low28.5Very low148 Ų148156.6 Ų156.679%0.79180%0.799SS**  trans-74.2112.2159.3-70.4-34.3000106.7R477 S481R477-N479 PolarHBondContact O-N 3.06Å; N479-S481 PolarHBondContact O-N 3.02Å
480H31.6Very low28.5Very low176 Ų176159.6 Ų159.682%0.81580%0.799SS**  trans-68.683.4169.3-68.9-77.6000108.4R478 S482R478-H480 PolarHBondContact O-N 3.25Å; H480-S482 PolarHBondContact O-N 3.31Å
481S29.5Very low28.4Very low101 Ų101164 Ų16471%0.70681%0.805SS**  trans-78.6102.7167.4171.80000108.2N479 S483N479-S481 PolarHBondContact O-N 3.02Å; S481-S483 PolarHBondContact O-N 2.98Å
482S26.5Very low28.4Very low118 Ų118158.3 Ų158.383%0.82580%0.802SS**  trans-65.1108.1163.952.80000109.6H480H480-S482 PolarHBondContact O-N 3.31Å
483S30.4Very low28.5Very low94 Ų94154.6 Ų154.666%0.65780%0.798SS**  trans-141.1101.2161.259.60000109.2S481 T485S481-S483 PolarHBondContact O-N 2.98Å; S483-T485 PolarHBondContact O-N 2.99Å
484N24.3Very low28.4Very low162 Ų162150.3 Ų150.387%0.86680%0.799SS**  trans-44.4123.6159.5-69-29.3000110
485T30Very low28.3Very low122 Ų122150.2 Ų150.275%0.74880%0.798SS**  trans-170.7126.4139.424.90000110.5S483S483-T485 PolarHBondContact O-N 2.99Å
486K29.2Very low28Very low182 Ų182148.1 Ų148.179%0.79179%0.792SS**  trans73.391148.1-64.4-179.5177.3-177.70117.6H488K486-H488 PolarHBondContact O-N 3.21Å
487E26.2Very low28Very low186 Ų186144.7 Ų144.787%0.86979%0.788SS**  14.7103.2118.2-64.2178.2174.300115.4
488H30.2Very low27.9Very low174 Ų174141.2 Ų141.281%0.80678%0.784SS**  trans-131105.6141.3-90.4-67000107.7K486K486-H488 PolarHBondContact O-N 3.21Å
489S23Very low27.9Very low115 Ų115137.5 Ų137.580%0.80479%0.785SS**  trans-80.5118.6167.4-161.50000107.3
490F28.7Very low27.8Very low169 Ų169135.5 Ų135.574%0.74178%0.783SS**  trans-135.5115.2155.3-89.9-78.1000107.7
491E25.9Very low27.4Very low174 Ų174131 Ų13181%0.81378%0.784SS**  trans9.2148.1140.4-61.7170.4149.500117.4
492A28Very low27.3Very low93 Ų93129.9 Ų129.977%0.76979%0.789SS**  cis-174.7159.1-15.800000103.5
493P30.9Very low27.3Very low122 Ų122129.8 Ų129.879%0.79279%0.788SS**  trans-100.8136.5-160.435.7-26.8000113
494C25.5Very low27.3Very low131 Ų131133.4 Ų133.489%0.88580%0.797SS**  trans-171.2137.3161.2-96.50000105.2
495S29.7Very low27.5Very low103 Ų103131.5 Ų131.572%0.7279%0.791SS**  cis-162.2144.823.540.10000108
496V23.4Very low27.5Very low124 Ų124130.4 Ų130.475%0.75279%0.786SS**  trans-77.2117.3171170.80000107.9I498V496-I498 HydrophobicContact CG1-CD1 3.73Å; V496-I498 HydrophobicContact CG1-CG1 3.67Å
497S30.8Very low27.5Very low105 Ų105131.2 Ų131.273%0.73479%0.79SS**  trans-111.589.1167.8-66.40000108.8V499S497-V499 PolarHBondContact O-N 2.8Å
498I24.3Very low27.5Very low150 Ų150129.9 Ų129.977%0.76979%0.787SS**  trans-75.7106.1164.9-65.8158.1000106.2V496V496-I498 HydrophobicContact CG1-CD1 3.73Å; V496-I498 HydrophobicContact CG1-CG1 3.67Å
499V29.9Very low27.5Very low138 Ų138127.2 Ų127.284%0.83678%0.783SS**  trans-101.8111.9165.91800000108S497S497-V499 PolarHBondContact O-N 2.8Å
500S26.6Very low27.7Very low107 Ų107128.5 Ų128.575%0.74878%0.78SS**  trans-67.5139.1177.3177.20000112.2
501G23.3Very low28Very low81 Ų81126.2 Ų126.284%0.83578%0.783SS**  trans56.2104.3137.400000119.1
502G26.3Very low28.1Very low78 Ų78123.2 Ų123.280%0.80478%0.781SS**  trans-147.986.6161.500000111.3
503S26.4Very low28.3Very low116 Ų116124.8 Ų124.881%0.81178%0.783SS**  trans-89.4107.2167.668.90000109.2
504M31.1Very low28.3Very low170 Ų170130.5 Ų130.584%0.83779%0.789SS**  trans-135.690.1168.4-70.8-87.141.800110
505T27.3Very low28.4Very low122 Ų122129.8 Ų129.875%0.74878%0.78SS**  trans-70.8142.6143.552.70000106.9
506P30.9Very low28.2Very low98 Ų98131 Ų13164%0.63678%0.784SS**  cis-157.1132.348.836.3-13.6000115.7
507F28.4Very low28.6Very low200 Ų200130.9 Ų130.988%0.87778%0.783SS**  trans-146.6104.8155.8-79.9-71.9000111.9V509F507-V509 HydrophobicContact CB-CG2 4.42Å; F507-V509 PolarHBondContact O-N 2.72Å
508I27.1Very low28.3Very low158 Ų158132.2 Ų132.281%0.8179%0.787SS**  trans-78.4105162.1-62.6170000105.8
509V29.9Very low28.5Very low117 Ų117130.2 Ų130.271%0.70978%0.782SS**  trans-104.9104.9167.4-176.90000106.5F507 P511F507-V509 HydrophobicContact CB-CG2 4.42Å; F507-V509 PolarHBondContact O-N 2.72Å; V509-P511 VanDerWaalsContact O-CD 3.25Å; V509-P511 WeakPolarHBondContact O-CD 3.28Å
510N26.9Very low28.2Very low142 Ų142129.1 Ų129.176%0.75978%0.781SS**  trans-76.7115169.3-81.5-16.6000109.2
511P34.6Very low28.4Very low121 Ų121129.4 Ų129.479%0.78678%0.778SS**  trans-86.4124.1162.81.619.9000108.7V509V509-P511 VanDerWaalsContact O-CD 3.25Å; V509-P511 WeakPolarHBondContact O-CD 3.28Å
512S29.5Very low28.4Very low112 Ų112132.6 Ų132.678%0.78378%0.781SS**  trans-54.3156.9173-96.50000114R514S512-R514 PolarHBondContact O-N 2.71Å
513P30.5Very low28.5Very low125 Ų125133.9 Ų133.981%0.81278%0.778SS**  trans-73.3114-169.829.2-33.5000111.7V515P513-V515 PolarHBondContact O-N 2.92Å
514R31Very low28.6Very low242 Ų242134.4 Ų134.491%0.91378%0.777SS**  trans-89103.1170-167.3172-172.3174.31.8109.8S512S512-R514 PolarHBondContact O-N 2.71Å
515V29.6Very low28.5Very low116 Ų116133.1 Ų133.170%0.70377%0.773SS**  trans15.6119.6147.6-173.30000116.9P513 T517P513-V515 PolarHBondContact O-N 2.92Å; V515-T517 PolarHBondContact O-N 3.11Å
516T25.3Very low28.7Very low129 Ų129135 Ų13579%0.79178%0.777SS**  trans-39.3115.9162.5-12.60000112.8
517T30.4Very low28.7Very low121 Ų121137.5 Ų137.574%0.74278%0.783SS**  trans-118.497.6157.4-39.70000107.9V515 T519V515-T517 PolarHBondContact O-N 3.11Å; T517-T519 PolarHBondContact O-N 2.99Å
518T24.9Very low28.8Very low133 Ų133131.7 Ų131.782%0.81677%0.768SS**  trans-65.3103.2163.525.50000108.8
519T28.4Very low29Very low108 Ų108130.8 Ų130.866%0.66377%0.77SS**  trans-131.899.5156.8-13.90000107.8T517 T521T517-T519 PolarHBondContact O-N 2.99Å; T519-T521 PolarHBondContact O-N 3.2Å; T519-T521 VanDerWaalsContact O-N 3.16Å
520S24.6Very low29.1Very low116 Ų116132.5 Ų132.581%0.81177%0.774SS**  trans-59.9107.4167.150.60000108.7
521T29.2Very low29.2Very low113 Ų113130.7 Ų130.769%0.69377%0.772SS**  trans-135.5102.7161.6-230000108.4T519 S523T519-T521 PolarHBondContact O-N 3.2Å; T519-T521 VanDerWaalsContact O-N 3.16Å; T521-S523 VanDerWaalsContact C-N 3.32Å; T521-S523 PolarHBondContact O-N 3.4Å; T521-S523 PolarHBondContact O-OG 2.97Å
522T25.1Very low29Very low147 Ų147130.5 Ų130.590%0.90277%0.774SS**  trans-45.883.8176.9-24.30000110.9
523S27.6Very low29.2Very low106 Ų106132.2 Ų132.274%0.74177%0.773SS**  trans-96.2102.9171.231.30000107.8T521 N525T521-S523 VanDerWaalsContact C-N 3.32Å; T521-S523 PolarHBondContact O-N 3.4Å; T521-S523 PolarHBondContact O-OG 2.97Å; S523-N525 PolarHBondContact O-N 3.41Å; S523-N525 VanDerWaalsContact O-N 3.14Å
524T27.5Very low29.2Very low126 Ų126129.8 Ų129.877%0.77376%0.764SS**  trans-21.3103.6161.138.90000114.6I526T524-I526 PolarHBondContact O-N 3.44Å
525N30.5Very low29.4Very low144 Ų144123.7 Ų123.777%0.7776%0.755SS**  trans31.174.4132.7-62.6-19.8000116.2S523 I527S523-N525 PolarHBondContact O-N 3.41Å; S523-N525 VanDerWaalsContact O-N 3.14Å; N525-I527 VanDerWaalsContact C-N 3.28Å; N525-I527 HydrophobicContact CB-CG1 4.35Å; N525-I527 PolarHBondContact O-N 3.44Å; N525-I527 VanDerWaalsContact O-N 3.15Å
526I30.4Very low29.9Very low160 Ų160123.8 Ų123.882%0.82176%0.758SS**  trans-72.497145.9-61.1174000105T524 S528T524-I526 PolarHBondContact O-N 3.44Å; I526-S528 PolarHBondContact O-N 2.94Å
527I31.2Very low30.2Very low151 Ų151125.1 Ų125.177%0.77476%0.759SS**  trans-69.287.4169-61.6174.5000105.7N525 T529N525-I527 VanDerWaalsContact C-N 3.28Å; N525-I527 HydrophobicContact CB-CG1 4.35Å; N525-I527 PolarHBondContact O-N 3.44Å; N525-I527 VanDerWaalsContact O-N 3.15Å; I527-T529 PolarHBondContact O-N 3.3Å
528S30.6Very low30.5Very low78 Ų78124.3 Ų124.355%0.54576%0.756SS.*  trans-57.1129.4160.8350000107.8I526 L530I526-S528 PolarHBondContact O-N 2.94Å; S528-L530 PolarHBondContact O-N 3.49Å
529T31.7Very low31.2Very low139 Ų139123.3 Ų123.385%0.85375%0.752SS**  trans-55.176.3171.538.90000110.6I527 S531I527-T529 PolarHBondContact O-N 3.3Å; T529-S531 PolarHBondContact O-N 2.86Å
530L30.9Very low31.4Very low154 Ų154129.1 Ų129.181%0.80676%0.761SS**  trans-69.1105.2163.7-78.2164.5000106.4S528 S532S528-L530 PolarHBondContact O-N 3.49Å; L530-S532 PolarHBondContact O-N 3.05Å
531S30.1Very low31.8Very low103 Ų103129.7 Ų129.772%0.7276%0.76SS**  trans-40.1113.4165.8-660000108.2T529 I533T529-S531 PolarHBondContact O-N 2.86Å; S531-I533 PolarHBondContact O-N 3.07Å
532S30.2Very low32.2Very low118 Ų118132.4 Ų132.483%0.82576%0.764SS**  trans-66.485.5175.1-177.40000107.4L530 A534L530-S532 PolarHBondContact O-N 3.05Å; S532-A534 PolarHBondContact O-N 3.31Å; S532-A534 VanDerWaalsContact O-N 3.09Å
533I34.5Very low32.4Very low147 Ų147128 Ų12875%0.75475%0.748SS**  trans-66.6105.4165.3-64.4165.8000104S531S531-I533 PolarHBondContact O-N 3.07Å
534A29.2Very low32.6Very low75 Ų75134.3 Ų134.362%0.6276%0.756SS**PPolyproline II helixtrans-50.9132.2173.800000108.4S532S532-A534 PolarHBondContact O-N 3.31Å; S532-A534 VanDerWaalsContact O-N 3.09Å
535P36.2Very low32.7Very low113 Ų113139.1 Ų139.173%0.73476%0.76SS**PPolyproline II helixtrans-56.5136.4-175.919.7-30.2000110I537P535-I537 PolarHBondContact O-N 2.98Å
536P38.4Very low32.7Very low119 Ų119137.7 Ų137.777%0.77376%0.758SS**PPolyproline II helixtrans-57.5127.7-177.820.6-30.5000110.1
537I33.7Very low32.9Very low156 Ų156137.5 Ų137.580%0.876%0.757SS**PPolyproline II helixtrans-56.4126.9175-62.9167.1000107.3P535P535-I537 PolarHBondContact O-N 2.98Å
538P36Very low32.9Very low105 Ų105135.8 Ų135.868%0.68275%0.754SS**PPolyproline II helixtrans-58.2138.2-179.922-31.5000109.6R540P538-R540 PolarHBondContact O-N 3.24Å
539P38.6Very low32.8Very low112 Ų112137 Ų13773%0.72776%0.762SS**PPolyproline II helixtrans-54.1131.9-177.919.7-30.3000109.4V541P539-V541 PolarHBondContact O-N 3.4Å
540R32.8Very low32.7Very low229 Ų229138.7 Ų138.786%0.86476%0.758SS**  trans-54.895.1167.9-99.7-179.2-179.6140.5-0.2107P538 H542P538-R540 PolarHBondContact O-N 3.24Å; R540-H542 VanDerWaalsContact C-N 3.33Å; R540-H542 PolarHBondContact O-N 2.86Å
541V32.8Very low32.7Very low128 Ų128138.6 Ų138.678%0.77676%0.758SS**  trans-64.6105.5167.3-179.50000104.3P539 G543P539-V541 PolarHBondContact O-N 3.4Å; V541-G543 PolarHBondContact O-N 2.81Å
542H38.3Very low32.7Very low171 Ų171137.2 Ų137.279%0.79276%0.76SS**  trans-62.674.1160.9-72.7-67.2000107.1R540 R544R540-H542 VanDerWaalsContact C-N 3.33Å; R540-H542 PolarHBondContact O-N 2.86Å; H542-R544 PolarHBondContact O-N 2.89Å
543G29.4Very low32.5Very low55 Ų55138.5 Ų138.557%0.56776%0.763SS**  trans-69.683.7172.300000107.1V541 R545V541-G543 PolarHBondContact O-N 2.81Å; G543-R545 PolarHBondContact O-N 3.5Å
544R30.6Very low32.3Very low237 Ų237140.3 Ų140.389%0.89477%0.765SS**  trans-54.299.6154.2-75.2-175.2175.5-174.3-1.1105.1H542 P546H542-R544 PolarHBondContact O-N 2.89Å; R544-P546 WeakPolarHBondContact O-CD 3.4Å; R544-P546 VanDerWaalsContact O-N 3.15Å
545R30.8Very low32.2Very low227 Ų227145.2 Ų145.286%0.85778%0.78SS**  trans-61116.2168.9-77.1-178174.5170.9-1.4105.7G543 I547G543-R545 PolarHBondContact O-N 3.5Å; R545-I547 PolarHBondContact O-N 3.48Å
546P30Very low31.9Very low114 Ų114146.5 Ų146.574%0.7478%0.779SS**  trans-64108.6170.825.4-29.4000106.4R544 V548R544-P546 WeakPolarHBondContact O-CD 3.4Å; R544-P546 VanDerWaalsContact O-N 3.15Å; P546-V548 VanDerWaalsContact C-N 3.26Å; P546-V548 PolarHBondContact O-N 2.91Å
547I34.8Very low31.4Very low156 Ų156149 Ų14980%0.878%0.781SS**  trans-67.7100.2164.3-59.8173.4000103.9R545 S549R545-I547 PolarHBondContact O-N 3.48Å; I547-S549 PolarHBondContact O-N 3.47Å
548V30.5Very low31.1Very low116 Ų116150 Ų15070%0.70378%0.782SS**  trans-6787.8170.1178.50000106.1P546 K550P546-V548 VanDerWaalsContact C-N 3.26Å; P546-V548 PolarHBondContact O-N 2.91Å; V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 HydrophobicContact CG1-CG 4.39Å; V548-K550 PolarHBondContact O-N 2.99Å
549S30.3Very low30.8Very low102 Ų102151 Ų15171%0.71379%0.787SS**  trans-67.590.9170.1168.20000107.7I547 N551I547-S549 PolarHBondContact O-N 3.47Å; S549-N551 PolarHBondContact O-N 2.85Å
550K29.4Very low30.3Very low175 Ų175152 Ų15276%0.76179%0.79SS**  trans-69.3112.9163.2-80.7-175.6175-178.90108.1V548V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 HydrophobicContact CG1-CG 4.39Å; V548-K550 PolarHBondContact O-N 2.99Å
551N31.1Very low30Very low153 Ų153146.3 Ų146.382%0.81879%0.786SS**SBendtrans77.1126155.6-53.7-16.4000117.5S549S549-N551 PolarHBondContact O-N 2.85Å
552G29.4Very low29.7Very low73 Ų73145 Ų14575%0.75378%0.782SS**  trans119.480.9155.700000114.1K554G552-K554 PolarHBondContact O-N 3.39Å
553T25.9Very low29.2Very low145 Ų145145.8 Ų145.889%0.8978%0.779SS**  trans-47.6104.1161.844.30000111.4
554K30Very low29.2Very low185 Ų185150.9 Ų150.980%0.80479%0.79SS**  trans-156.2102149.2-101.1174.3-168.4-174.70106.9G552 I556G552-K554 PolarHBondContact O-N 3.39Å; K554-I556 PolarHBondContact O-N 2.98Å
555L27.2Very low29.2Very low178 Ų178146.4 Ų146.493%0.93278%0.782SS**  trans-57.6100.4165.9-71.6157.1000107
556I29.5Very low29.1Very low140 Ų140141.4 Ų141.472%0.71877%0.773SS**  trans-96.3101162-60174.7000103.6K554 E558K554-I556 PolarHBondContact O-N 2.98Å; I556-E558 VanDerWaalsContact C-N 3.31Å; I556-E558 PolarHBondContact O-N 2.78Å
557E27.6Very low29.3Very low173 Ų173145.3 Ų145.381%0.80878%0.778SS**  trans-58.799.3165.4-71.1178.5159.700107T559E557-T559 PolarHBondContact O-N 2.85Å
558E28.8Very low29.3Very low176 Ų176146.6 Ų146.682%0.82278%0.778SS**  trans-70.185.6165.8-77.7-175.2160.600107.2I556 V560I556-E558 VanDerWaalsContact C-N 3.31Å; I556-E558 PolarHBondContact O-N 2.78Å; E558-V560 PolarHBondContact O-N 2.77Å
559T28.5Very low29.4Very low127 Ų127149 Ų14978%0.77979%0.786SS**  trans-52.7106160.519.60000107.7E557 S561E557-T559 PolarHBondContact O-N 2.85Å; T559-S561 PolarHBondContact O-N 2.61Å
560V29.1Very low29.6Very low133 Ų133151.4 Ų151.481%0.80679%0.79SS**  trans-63.283168.7-177.10000107E558 S562E558-V560 PolarHBondContact O-N 2.77Å; V560-S562 VanDerWaalsContact C-N 3.25Å; V560-S562 PolarHBondContact O-N 3.27Å
561S25.4Very low29.8Very low109 Ų109148.7 Ų148.776%0.76278%0.784SS**  trans-6891.2169.4172.10000107.1T559 Y563T559-S561 PolarHBondContact O-N 2.61Å; S561-Y563 VanDerWaalsContact C-N 3.28Å; S561-Y563 PolarHBondContact O-N 2.73Å
562S26.2Very low29.8Very low100 Ų100149.2 Ų149.270%0.69978%0.783SS**  trans-55.896.7162.1-780000107.7V560 M564V560-S562 VanDerWaalsContact C-N 3.25Å; V560-S562 PolarHBondContact O-N 3.27Å; S562-M564 PolarHBondContact O-N 3.48Å
563Y28.6Very low29.9Very low187 Ų187153.1 Ų153.173%0.73379%0.787SS**  trans-62103.5166.8176.7-95.4000106.6S561 I565S561-Y563 VanDerWaalsContact C-N 3.28Å; S561-Y563 PolarHBondContact O-N 2.73Å; Y563-I565 HydrophobicContact CD1-CG1 3.87Å; Y563-I565 HydrophobicContact CE1-CG1 4.03Å; Y563-I565 PolarHBondContact O-N 2.77Å
564M29.3Very low30Very low162 Ų162154.6 Ų154.680%0.79878%0.781SS**  trans-61.4104.2171.3-65.2-159.278.300107.2S562 D566S562-M564 PolarHBondContact O-N 3.48Å; M564-D566 PolarHBondContact O-N 2.9Å
565I30.1Very low30Very low143 Ų143152.6 Ų152.673%0.73378%0.779SS**  trans-65.1105.2167.9-62.7171.9000105.8Y563 K567Y563-I565 HydrophobicContact CD1-CG1 3.87Å; Y563-I565 HydrophobicContact CE1-CG1 4.03Å; Y563-I565 PolarHBondContact O-N 2.77Å; I565-K567 PolarHBondContact O-N 2.98Å; I565-K567 VanDerWaalsContact O-N 3.14Å
566D30.2Very low30.1Very low122 Ų122152.8 Ų152.865%0.65277%0.774SS**  trans-48.7116.8178.5-90.5-40.4000110.8M564 K568M564-D566 PolarHBondContact O-N 2.9Å; D566-K568 PolarHBondContact O-N 3.23Å
567K33.5Very low30Very low196 Ų196155.5 Ų155.585%0.85278%0.782SS**G310 helixtrans-55.5-3.3176.1-90.3-178.2173.7-1790114.8I565 L569I565-K567 PolarHBondContact O-N 2.98Å; I565-K567 VanDerWaalsContact O-N 3.14Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.89Å
568K34.9Very low29.9Very low184 Ų184157.8 Ų157.880%0.878%0.783SS**G310 helixtrans-75.1-15.5-177.5-77.6-174.5175.6177.60114.8D566 L570D566-K568 PolarHBondContact O-N 3.23Å; K568-L570 VanDerWaalsContact C-N 3.34Å
569L32.2Very low29.9Very low165 Ų165157.4 Ų157.486%0.86478%0.781SS**G310 helixtrans-83.5-8.9179.5-124.1141.7000113.8K567K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.89Å
570L34.3Very low29.8Very low153 Ų153156.8 Ų156.880%0.80178%0.777SS**SBendtrans-91.8-11.9-179-154.668.6000114.1K568K568-L570 VanDerWaalsContact C-N 3.34Å
571D34.5Very low29.5Very low119 Ų119157.6 Ų157.664%0.63678%0.777SS**G310 helixtrans-94.2-6-172.8-105.3-10.2000115.8N573D571-N573 VanDerWaalsContact C-N 3.35Å; D571-N573 PolarHBondContact O-N 3.31Å
572M31.7Very low29.6Very low163 Ų163161 Ų16180%0.80378%0.778SS**G310 helixtrans-82.1-8.3179.5-75.1-63.9-65.300114.6
573N29.8Very low29.6Very low155 Ų155161.4 Ų161.483%0.82978%0.781SS**G310 helixtrans-98.91.5-179.5-80-14.7000115D571D571-N573 VanDerWaalsContact C-N 3.35Å; D571-N573 PolarHBondContact O-N 3.31Å
574K28.9Very low29.4Very low176 Ų176160 Ų16077%0.76578%0.784SS**SBendtrans-103.1-1.1178.9-89.4-175175.9-178.90115.8
575L30.2Very low29.2Very low144 Ų144155.6 Ų155.675%0.75477%0.774SS**SBendtrans-118.254.2-174.7-76.2167.4000113.8
576Q28.2Very low28.8Very low181 Ų181155.7 Ų155.785%0.84678%0.776SS**  trans-15242.4157.9-75.4-57.7-4900111.5R578Q576-R578 VanDerWaalsContact C-N 3.32Å; Q576-R578 PolarHBondContact O-N 3.13Å
577F28.1Very low28.6Very low198 Ų198156.4 Ų156.487%0.86878%0.778SS**  trans-93.771157.1-85.7-85.4000108.1
578R25.1Very low28.1Very low220 Ų220153.4 Ų153.483%0.8378%0.776SS**  trans-104.9100.9159.3-111.4-173.8177.8-179.90.6106.7Q576 T580Q576-R578 VanDerWaalsContact C-N 3.32Å; Q576-R578 PolarHBondContact O-N 3.13Å; R578-T580 PolarHBondContact O-N 3.42Å
579E29.1Very low27.6Very low168 Ų168149.3 Ų149.379%0.78577%0.767SS**  trans-54.284166.2-68.2173146.800109.8N581E579-N581 VanDerWaalsContact C-N 3.31Å; E579-N581 PolarHBondContact O-N 2.88Å; E579-N581 VanDerWaalsContact O-N 3.15Å
580T26.4Very low27.2Very low115 Ų115147 Ų14771%0.70676%0.762SS**  trans-79.592.5158.740.80000107.3R578 K582R578-T580 PolarHBondContact O-N 3.42Å; T580-K582 PolarHBondContact O-N 2.73Å
581N23.9Very low26.7Very low149 Ų149145.1 Ų145.180%0.79776%0.757SS**  trans-59.757.8166.8-72.5-41.4000112E579 S583E579-N581 VanDerWaalsContact C-N 3.31Å; E579-N581 PolarHBondContact O-N 2.88Å; E579-N581 VanDerWaalsContact O-N 3.15Å; N581-S583 PolarHBondContact O-N 3.3Å
582K27.2Very low26.2Very low182 Ų182146.8 Ų146.879%0.79177%0.766SS**  trans-85.395.3171-77.5-173.3177.5-179.80108.2T580 I584T580-K582 PolarHBondContact O-N 2.73Å; K582-I584 PolarHBondContact O-N 3.49Å
583S25Very low25.9Very low107 Ų107143.3 Ų143.375%0.74875%0.754SS**  trans-8.8112.6156.5-176.60000113.4N581 A585N581-S583 PolarHBondContact O-N 3.3Å; S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.48Å
584I25.3Very low25.6Very low157 Ų157141.6 Ų141.681%0.80575%0.749SS**  trans-66.890.5167.6-60.7168.1000106.2K582 N586K582-I584 PolarHBondContact O-N 3.49Å; I584-N586 PolarHBondContact O-N 2.92Å
585A24.8Very low25.3Very low71 Ų71142.1 Ų142.159%0.58775%0.748SS**  trans-71.5115166.200000107.5S583 I587S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.48Å; A585-I587 VanDerWaalsContact C-N 3.28Å; A585-I587 PolarHBondContact O-N 3.38Å
586N22.4Very low25Very low145 Ų145140.4 Ų140.478%0.77574%0.743SS**  trans-55.788.1170.1-81.9-27.8000110.2I584 T588I584-N586 PolarHBondContact O-N 2.92Å; N586-T588 VanDerWaalsContact C-N 3.29Å; N586-T588 PolarHBondContact O-N 3.3Å
587I25.7Very low24.7Very low137 Ų137138 Ų13870%0.70374%0.736SS**  trans-92.977.7164.2-58.7178.1000106.3A585 T589A585-I587 VanDerWaalsContact C-N 3.28Å; A585-I587 PolarHBondContact O-N 3.38Å; I587-T589 WeakPolarHBondContact CG2-OG1 3.44Å; I587-T589 PolarHBondContact O-N 2.89Å
588T22.6Very low24.6Very low132 Ų132135.2 Ų135.281%0.8173%0.731SS**  trans-67.180.9158.921.40000108.2N586N586-T588 VanDerWaalsContact C-N 3.29Å; N586-T588 PolarHBondContact O-N 3.3Å
589T23.3Very low24.4Very low98 Ų98132.2 Ų132.260%0.60173%0.728SS**  trans-124.7108.1155.94.70000106.9I587 T591I587-T589 WeakPolarHBondContact CG2-OG1 3.44Å; I587-T589 PolarHBondContact O-N 2.89Å; T589-T591 PolarHBondContact O-N 3.31Å
590P23.9Very low24Very low118 Ų118130 Ų13077%0.76673%0.73SS**  trans-67.889.8169.627.6-30.1000107.2N592P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 3.05Å
591T24.9Very low23.9Very low113 Ų113133.1 Ų133.169%0.69373%0.733SS**  trans-62.3102.7155.336.70000105.7T589 T593T589-T591 PolarHBondContact O-N 3.31Å; T591-T593 PolarHBondContact O-N 3.3Å; T591-T593 PolarHBondContact O-OG1 3.39Å
592N24.1Very low23.8Very low154 Ų154131.4 Ų131.482%0.82473%0.73SS**  trans-58.371.8157.4-96.3-17.1000107.6P590 T594P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 3.05Å; N592-T594 PolarHBondContact O-N 3.01Å
593T25.1Very low23.7Very low90 Ų90128.5 Ų128.555%0.55273%0.728SS**  trans-69.493.8153.3370000104.4T591 Y595T591-T593 PolarHBondContact O-N 3.3Å; T591-T593 PolarHBondContact O-OG1 3.39Å; T593-Y595 WeakPolarHBondContact O-CD2 3.46Å; T593-Y595 PolarHBondContact O-N 3.03Å
594T23.5Very low23.6Very low119 Ų119128.4 Ų128.473%0.7372%0.722SS**  trans-5491.4159.7-51.30000105.8N592 T596N592-T594 PolarHBondContact O-N 3.01Å; T594-T596 PolarHBondContact O-N 3.44Å
595Y23.4Very low23.6Very low186 Ų186129.9 Ų129.973%0.72972%0.723SS**  trans-60.6100.1161.8-81.1-88.4000104.2T593 N597T593-Y595 WeakPolarHBondContact O-CD2 3.46Å; T593-Y595 PolarHBondContact O-N 3.03Å; Y595-N597 PolarHBondContact O-N 2.92Å
596T22.9Very low23.6Very low108 Ų108132.4 Ų132.466%0.66373%0.725SS**  trans-58.989.1154.849.60000104.2T594 N598T594-T596 PolarHBondContact O-N 3.44Å; T596-N598 PolarHBondContact O-N 3.07Å
597N22.5Very low23.7Very low130 Ų130129.3 Ų129.370%0.69572%0.72SS**  trans-56.893.9160.3-77.6-30000103.6Y595 M599Y595-N597 PolarHBondContact O-N 2.92Å; N597-M599 HydrophobicContact CB-CG 4.5Å; N597-M599 PolarHBondContact O-N 3.31Å
598N25Very low23.7Very low141 Ų141130.7 Ų130.775%0.75472%0.723SS**  trans-58.283.3155.4-73.9-24.9000103.8T596 C600T596-N598 PolarHBondContact O-N 3.07Å; N598-C600 PolarHBondContact O-N 3.23Å
599M21.3Very low23.8Very low157 Ų157129.8 Ų129.877%0.77372%0.718SS**  trans-55.597.5163.7-70-75.2-79.900102.9N597 K601N597-M599 HydrophobicContact CB-CG 4.5Å; N597-M599 PolarHBondContact O-N 3.31Å; M599-K601 PolarHBondContact O-N 3.08Å
600C21.5Very low23.9Very low122 Ų122128.8 Ų128.882%0.82472%0.72SS**  trans-52.797.7165.9-86.30000105N598N598-C600 PolarHBondContact O-N 3.23Å
601K23.1Very low23.9Very low179 Ų179130.3 Ų130.378%0.77872%0.718SS**  trans-52.8129.7167.2-71.4-177.3179.2179.10104.9M599 V603M599-K601 PolarHBondContact O-N 3.08Å; K601-V603 PolarHBondContact O-N 2.95Å
602P22.3Very low23.9Very low113 Ų113131.5 Ų131.573%0.73472%0.721SS**  trans-55.8110.1176.421.8-30.8000106.6V604P602-V604 PolarHBondContact O-N 2.87Å
603V24.4Very low23.9Very low121 Ų121131.6 Ų131.673%0.73372%0.72SS**  trans-68.193.7168.7-179.50000103.9K601 K605K601-V603 PolarHBondContact O-N 2.95Å; V603-K605 HydrophobicContact CG1-CG 3.89Å; V603-K605 PolarHBondContact O-N 2.93Å
604V24.3Very low23.9Very low105 Ų105133.4 Ų133.464%0.63673%0.726SS**  trans-64.584.4165.3178.20000105.1P602 I606P602-V604 PolarHBondContact O-N 2.87Å; V604-I606 HydrophobicContact CG1-CD1 3.82Å; V604-I606 HydrophobicContact CG1-CG1 3.68Å; V604-I606 PolarHBondContact O-N 2.96Å
605K25.2Very low23.8Very low189 Ų189136 Ų13682%0.82273%0.73SS**  trans-69.584.5159.7-75.7-168.3177-175.90105.1V603 A607V603-K605 HydrophobicContact CG1-CG 3.89Å; V603-K605 PolarHBondContact O-N 2.93Å; K605-A607 VanDerWaalsContact C-N 3.29Å; K605-A607 PolarHBondContact O-N 2.74Å
606I24.7Very low23.8Very low123 Ų123131.8 Ų131.863%0.63173%0.726SS**  trans-59109154.2-71.8143.3000103.8V604 E608V604-I606 HydrophobicContact CG1-CD1 3.82Å; V604-I606 HydrophobicContact CG1-CG1 3.68Å; V604-I606 PolarHBondContact O-N 2.96Å; I606-E608 HydrophobicContact CG2-CG 3.66Å; I606-E608 PolarHBondContact O-N 3.33Å
607A23.2Very low23.8Very low80 Ų80131.6 Ų131.666%0.66173%0.729SS**  trans-62.587159.600000106K605 T609K605-A607 VanDerWaalsContact C-N 3.29Å; K605-A607 PolarHBondContact O-N 2.74Å; A607-T609 PolarHBondContact O-N 3.14Å
608E26.1Very low23.9Very low166 Ų166130.3 Ų130.378%0.77673%0.73SS**  trans-70.568.1159.1-71.8-171.7154.300107I606 A610I606-E608 HydrophobicContact CG2-CG 3.66Å; I606-E608 PolarHBondContact O-N 3.33Å; E608-A610 PolarHBondContact O-N 2.73Å
609T25.1Very low23.8Very low113 Ų113133 Ų13369%0.69373%0.73SS**  trans-80.840.6149.9-290000107.8A607 M611A607-T609 PolarHBondContact O-N 3.14Å; T609-M611 PolarHBondContact O-N 2.89Å
610A25.2Very low23.9Very low78 Ų78131.8 Ų131.865%0.64574%0.735SS**  trans-75.882.1155.200000104.4E608 N612E608-A610 PolarHBondContact O-N 2.73Å; A610-N612 PolarHBondContact O-N 3.19Å
611M24.4Very low24.1Very low150 Ų150133.9 Ų133.974%0.73973%0.731SS**  trans-43.9102.9157.8-73.3-78.5-78.200105.8T609 L613T609-M611 PolarHBondContact O-N 2.89Å; M611-L613 PolarHBondContact O-N 2.96Å
612N24.6Very low24.3Very low138 Ų138133.5 Ų133.574%0.73874%0.737SS**  trans-51.892.6143.6-87.4-39.5000104.3A610 L614A610-N612 PolarHBondContact O-N 3.19Å; N612-L614 HydrophobicContact CB-CD1 4.25Å; N612-L614 PolarHBondContact O-N 2.93Å
613L23.7Very low24.4Very low156 Ų156131.1 Ų131.182%0.81773%0.733SS**  trans-55.273.9137.8-76.4160.7000105.4M611 Q615M611-L613 PolarHBondContact O-N 2.96Å; L613-Q615 PolarHBondContact O-N 2.9Å
614L24.6Very low24.5Very low127 Ų127129.2 Ų129.267%0.66574%0.738SS**  trans-56.188.6141.1-97.6140.9000103.6N612 C616N612-L614 HydrophobicContact CB-CD1 4.25Å; N612-L614 PolarHBondContact O-N 2.93Å; L614-C616 PolarHBondContact O-N 3.42Å
615Q23.5Very low24.8Very low175 Ų175131.3 Ų131.382%0.81875%0.746SS**  trans-54.273140.2-136172.32.100105.7L613 S617L613-Q615 PolarHBondContact O-N 2.9Å; Q615-S617 PolarHBondContact O-N 2.91Å
616C22.2Very low25Very low97 Ų97131.4 Ų131.466%0.65575%0.749SS**  trans-65.674.5158.6-78.40000105.5L614 S618L614-C616 PolarHBondContact O-N 3.42Å; C616-S618 PolarHBondContact O-N 3.11Å
617S23.9Very low25.1Very low104 Ų104133.3 Ų133.373%0.72776%0.755SS**  trans-73.290.6154.9-159.30000104.8Q615 R619Q615-S617 PolarHBondContact O-N 2.91Å; S617-R619 VanDerWaalsContact C-N 3.27Å; S617-R619 PolarHBondContact O-N 2.87Å
618S23.2Very low25.4Very low102 Ų102135.4 Ų135.471%0.71376%0.762SS**  trans-60.389.3173.955.50000109.2C616C616-S618 PolarHBondContact O-N 3.11Å
619R23.1Very low25.6Very low198 Ų198137.5 Ų137.575%0.74776%0.764SS**  trans-123.778.6149.9-72.5-167.9-175.4-143.61.6106.4S617 F621S617-R619 VanDerWaalsContact C-N 3.27Å; S617-R619 PolarHBondContact O-N 2.87Å; R619-F621 HydrophobicContact CB-CD2 4.07Å; R619-F621 HydrophobicContact CB-CE2 4.35Å; R619-F621 PolarHBondContact O-N 2.76Å
620C23.2Very low25.6Very low131 Ų131141 Ų14189%0.88577%0.77SS**  trans-63.990.9157-56.50000105.7
621F26.2Very low25.6Very low166 Ų166144.6 Ų144.673%0.72878%0.778SS**  trans-80.9133.8161.4-95.8-81.7000107.4R619 G623R619-F621 HydrophobicContact CB-CD2 4.07Å; R619-F621 HydrophobicContact CB-CE2 4.35Å; R619-F621 PolarHBondContact O-N 2.76Å; F621-G623 PolarHBondContact O-N 3.25Å
622D26.7Very low25.5Very low172 Ų172142.9 Ų142.992%0.9278%0.78SS**  trans-35.8121.8171.7-75.4-51.5000113.1
623G26.2Very low25.7Very low62 Ų62144.6 Ų144.664%0.63979%0.786SS**  trans-172.6105.6169.800000108.1F621 D625F621-G623 PolarHBondContact O-N 3.25Å; G623-D625 PolarHBondContact O-N 3.03Å
624G26.1Very low25.7Very low82 Ų82143.5 Ų143.585%0.84578%0.78SS**  trans-68.751.7-176.600000114.7Q626G624-Q626 PolarHBondContact O-N 3.11Å
625D31.1Very low25.7Very low148 Ų148145.4 Ų145.479%0.79179%0.792SS**  trans-85.7101.3171.6-73.5-21000108.8G623 H627G623-D625 PolarHBondContact O-N 3.03Å; D625-H627 PolarHBondContact O-N 2.98Å
626Q28.2Very low25.8Very low192 Ų192143.9 Ų143.990%0.89778%0.784SS**  trans-51.7104168.9-69.7172.1-8.300109.4G624 P628G624-Q626 PolarHBondContact O-N 3.11Å; Q626-P628 WeakPolarHBondContact O-CD 3.47Å
627H26.4Very low26.1Very low163 Ų163146.7 Ų146.776%0.75579%0.788SS**  trans-62.8122.7173.2-101.1-79.2000109.5D625 Y629D625-H627 PolarHBondContact O-N 2.98Å; H627-Y629 PolarHBondContact O-N 3.07Å
628P31.1Very low26.2Very low123 Ų123150.7 Ų150.780%0.79980%0.795SS**G310 helixtrans-72.120.4-178.826.8-32.8000114.6Q626Q626-P628 WeakPolarHBondContact O-CD 3.47Å
629Y28.3Very low26.3Very low210 Ų210155.9 Ų155.982%0.82480%0.8SS**G310 helixtrans-86-6.1-177.9-135.5-95.6000114.6H627H627-Y629 PolarHBondContact O-N 3.07Å
630F25.9Very low26.5Very low186 Ų186153 Ų15382%0.81680%0.804SS**G310 helixtrans-99.65.2-178.8-84.6-74000116.2
631N25.1Very low26.5Very low154 Ų154155.7 Ų155.782%0.82480%0.801SS**SBendtrans-93.35.9177-102.45.4000115.7
632C23.2Very low26.5Very low115 Ų115151.7 Ų151.778%0.77780%0.798SS**G310 helixtrans-91.4-6-178.1-147.70000115N634C632-N634 PolarHBondContact O-N 3.03Å
633M27.4Very low26.4Very low174 Ų174151 Ų15186%0.85779%0.794SS**G310 helixtrans-895-178.1-68.7-65.4-92.800114.8
634N24.7Very low26.4Very low132 Ų132154.9 Ų154.971%0.70680%0.799SS**G310 helixtrans-1093.6-177.1-115.53.6000116.7C632 Q636C632-N634 PolarHBondContact O-N 3.03Å; N634-Q636 PolarHBondContact O-N 3.47Å
635N23.4Very low26.5Very low168 Ų168158.4 Ų158.490%0.89880%0.798SS**  trans-86.868.2163-82-14.5000109.8Q637N635-Q637 PolarHBondContact O-N 3.47Å
636Q27.2Very low26.1Very low142 Ų142155.2 Ų155.266%0.66479%0.787SS**  trans-54.3127.1158.4-69.2-177.1-8.800109.3N634N634-Q636 PolarHBondContact O-N 3.47Å
637Q28Very low25.9Very low156 Ų156153.2 Ų153.273%0.72978%0.783SS**  trans56.766.7138-55.7-174.40.800117.8N635N635-Q637 PolarHBondContact O-N 3.47Å
638H26.4Very low25.8Very low189 Ų189152.1 Ų152.188%0.87578%0.782SS**  trans-103.467.7141.4-74.1-57.2000109.4V640H638-V640 VanDerWaalsContact C-N 3.31Å; H638-V640 PolarHBondContact O-N 3.45Å
639Y25.4Very low25.5Very low210 Ų210154.9 Ų154.982%0.82478%0.784SS**  trans-64.9104.3152.7-83.7-82.2000106.2K641Y639-K641 VanDerWaalsContact C-N 3.29Å; Y639-K641 PolarHBondContact O-N 3.27Å
640V25.5Very low25.4Very low137 Ų137152.5 Ų152.583%0.8379%0.785SS**  trans-56100.4164.4178.60000105.8H638 A642H638-V640 VanDerWaalsContact C-N 3.31Å; H638-V640 PolarHBondContact O-N 3.45Å; V640-A642 PolarHBondContact O-N 2.82Å
641K24.8Very low25.4Very low189 Ų189152.4 Ų152.482%0.82278%0.784SS**  trans-50.7119.4167-95.5179174.8175.10105.9Y639 N643Y639-K641 VanDerWaalsContact C-N 3.29Å; Y639-K641 PolarHBondContact O-N 3.27Å; K641-N643 PolarHBondContact O-N 3.23Å
642A25Very low25.3Very low81 Ų81150.9 Ų150.967%0.66978%0.782SS**  trans-51.9119.9165.700000106.5V640 I644V640-A642 PolarHBondContact O-N 2.82Å; A642-I644 PolarHBondContact O-N 3.03Å
643N24.9Very low25.4Very low157 Ų157150.8 Ų150.884%0.8478%0.778SS**  trans-62.281.7166.9-87.1-19.1000106.9K641 L645K641-N643 PolarHBondContact O-N 3.23Å; N643-L645 PolarHBondContact O-N 3.31Å
644I26.3Very low25.3Very low145 Ų145150.2 Ų150.274%0.74477%0.773SS**  trans-66.595.5158.2-58.5173.6000102.7A642 S646A642-I644 PolarHBondContact O-N 3.03Å; I644-S646 PolarHBondContact O-N 3.15Å
645L28.2Very low25.3Very low155 Ų155153.3 Ų153.381%0.81278%0.78SS**  trans-5193.4162.7-91137000106.2N643 N647N643-L645 PolarHBondContact O-N 3.31Å; L645-N647 PolarHBondContact O-N 3.4Å
646S23.1Very low25.3Very low82 Ų82154.8 Ų154.857%0.57377%0.774SS**  trans-68.392.2168.847.20000105.7I644 N648I644-S646 PolarHBondContact O-N 3.15Å; S646-N648 PolarHBondContact O-N 3.27Å
647N23Very low25.1Very low150 Ų150157.2 Ų157.280%0.80279%0.786SS**  trans-67.174.9160.9-106.9-9.1000107.5L645 Q649L645-N647 PolarHBondContact O-N 3.4Å; N647-Q649 PolarHBondContact O-N 2.93Å
648N24Very low24.9Very low139 Ų139154.2 Ų154.274%0.74378%0.782SS**  trans-72.868.8168.9-78.5-24.2000108.9S646S646-N648 PolarHBondContact O-N 3.27Å
649Q25.7Very low24.8Very low181 Ų181152.3 Ų152.385%0.84678%0.778SS**  trans-146.355.1165.1-71.2-161.119.800111.1N647N647-Q649 PolarHBondContact O-N 2.93Å
650I25.8Very low24.6Very low161 Ų161148 Ų14883%0.82678%0.779SS**  trans-129.795158.2-53.5-179.9000106.6
651K26Very low24.7Very low184 Ų184146.3 Ų146.380%0.877%0.769SS**  trans-57.5135.7172.2-72.3178.7177.9178.10108.4V653K651-V653 PolarHBondContact O-N 3.16Å
652P23.5Very low24.5Very low122 Ų122148.3 Ų148.379%0.79277%0.771SS**  trans-69.899.9179.327.9-31.7000108.9H654P652-H654 PolarHBondContact O-N 3.29Å
653V25.2Very low24.5Very low112 Ų112154.3 Ų154.368%0.67978%0.778SS**  trans-78.8114.4171.3176.90000107.5K651 F655K651-V653 PolarHBondContact O-N 3.16Å; V653-F655 PolarHBondContact O-N 3.21Å; V653-F655 VanDerWaalsContact O-N 3.14Å
654H24.7Very low24.3Very low162 Ų162152.6 Ų152.675%0.7577%0.774SS**  trans-52.3111.1170.7-76.1-98.3000110.2P652 Y656P652-H654 PolarHBondContact O-N 3.29Å; H654-Y656 PolarHBondContact O-N 2.97Å
655F25.4Very low24Very low197 Ų197155.5 Ų155.586%0.86478%0.781SS**  trans-85.598.2165.7-86.2-83.5000108.7V653 Q657V653-F655 PolarHBondContact O-N 3.21Å; V653-F655 VanDerWaalsContact O-N 3.14Å; F655-Q657 PolarHBondContact O-N 2.75Å
656Y24.1Very low24Very low199 Ų199155.7 Ų155.778%0.7878%0.783SS**  trans-58.6131.2161.4-86-91.7000109.7H654 S658H654-Y656 PolarHBondContact O-N 2.97Å; Y656-S658 PolarHBondContact O-N 3.4Å
657Q21.9Very low23.9Very low193 Ų193156.9 Ų156.990%0.90279%0.792SS**  trans-66.1109.7168.7-171.2166.15.800108.3F655F655-Q657 PolarHBondContact O-N 2.75Å
658S24.6Very low24.3Very low94 Ų94155.1 Ų155.166%0.65779%0.788SS**  trans-147.4100173.8-58.80000110.7Y656Y656-S658 PolarHBondContact O-N 3.4Å
659N24.2Very low24.4Very low148 Ų148157.8 Ų157.879%0.79179%0.793SS**  trans54.9104.6145.6-62.1-20.2000120.3T661N659-T661 PolarHBondContact O-N 2.73Å; N659-T661 PolarHBondContact O-OG1 2.96Å
660S21.4Very low24.4Very low120 Ų120155.9 Ų155.984%0.83979%0.793SS**  trans-36.4102.7151.2-176.50000112.2
661T27.3Very low24.5Very low101 Ų101154.5 Ų154.562%0.6279%0.786SS**  trans-116.5104.4167.2-31.70000107.4N659 Y663N659-T661 PolarHBondContact O-N 2.73Å; N659-T661 PolarHBondContact O-OG1 2.96Å; T661-Y663 HydrophobicContact CG2-CD2 4.08Å; T661-Y663 HydrophobicContact CG2-CE2 3.65Å; T661-Y663 PolarHBondContact O-N 3.27Å; T661-Y663 VanDerWaalsContact O-N 3.12Å
662R21Very low24.3Very low231 Ų231149.9 Ų149.987%0.87278%0.783SS**  trans-56.7111.1171.8-62.3175.4-150.9178.95.3107.9
663Y23.7Very low24.5Very low208 Ų208150.1 Ų150.182%0.81678%0.777SS**  trans-115.7118164.3-88.6-81.4000109.6T661T661-Y663 HydrophobicContact CG2-CD2 4.08Å; T661-Y663 HydrophobicContact CG2-CE2 3.65Å; T661-Y663 PolarHBondContact O-N 3.27Å; T661-Y663 VanDerWaalsContact O-N 3.12Å
664T21.8Very low24.3Very low120 Ų120148.5 Ų148.574%0.73678%0.784SS**  trans-66.4144.8-175.9-38.10000111.2N666T664-N666 PolarHBondContact O-N 3.09Å
665F20.4Very low24.4Very low207 Ų207150.2 Ų150.291%0.90879%0.789SS**  trans-58.1113.8176.4-72.7-95.3000111.8
666N26.3Very low24.4Very low158 Ų158150.1 Ų150.185%0.84579%0.788SS**  trans-113.392.8163.4-74-22.7000108.8T664T664-N666 PolarHBondContact O-N 3.09Å
667S22.7Very low24.4Very low108 Ų108148.5 Ų148.576%0.75579%0.791SS**  trans-76.3164.4142.554.60000107.6
668P30.2Very low24.5Very low112 Ų112144.6 Ų144.673%0.72779%0.785SS**  cis-128.7161.13.539.6-24.2000112.5
669K27.3Very low24.4Very low196 Ų196148.2 Ų148.285%0.85279%0.792SS**  trans-162.696.7151-111.2162-170.2-178.10110.6I671K669-I671 PolarHBondContact O-N 2.93Å
670V24.8Very low24.5Very low140 Ų140147.2 Ų147.285%0.84879%0.793SS**  trans-60.4106.7160.21760000106.9A672V670-A672 HydrophobicContact CG1-CB 4.46Å
671I27.2Very low24.7Very low132 Ų132148.9 Ų148.968%0.67779%0.792SS**  trans-103.991.7164.3-60.7178.4000106.2K669 N673K669-I671 PolarHBondContact O-N 2.93Å; I671-N673 VanDerWaalsContact C-N 3.31Å; I671-N673 HydrophobicContact CG2-CB 4.3Å; I671-N673 PolarHBondContact O-N 2.84Å; I671-N673 VanDerWaalsContact O-N 3.13Å
672A21.7Very low24.4Very low88 Ų88149.7 Ų149.773%0.72780%0.801SS**  trans-73.684.4165.800000108.7V670V670-A672 HydrophobicContact CG1-CB 4.46Å
673N28.2Very low24.5Very low126 Ų126142.5 Ų142.567%0.67479%0.786SS**  trans-106.398.7165.1-83.61.7000108.6I671 F675I671-N673 VanDerWaalsContact C-N 3.31Å; I671-N673 HydrophobicContact CG2-CB 4.3Å; I671-N673 PolarHBondContact O-N 2.84Å; I671-N673 VanDerWaalsContact O-N 3.13Å; N673-F675 PolarHBondContact O-N 2.94Å; N673-F675 VanDerWaalsContact O-N 3.16Å
674G22.2Very low24.4Very low79 Ų79137.2 Ų137.281%0.81478%0.78SS**  trans-60111.4171.100000110.7
675F25.9Very low24.5Very low197 Ų197137.8 Ų137.886%0.86478%0.778SS**  trans-92.3117.4162.5-96.4-90.9000108.8N673N673-F675 PolarHBondContact O-N 2.94Å; N673-F675 VanDerWaalsContact O-N 3.16Å
676K24.9Very low24.5Very low196 Ų196136 Ų13685%0.85277%0.772SS**  trans-57.7132.8-178-72.9174.4174.9176.80110.9S678K676-S678 PolarHBondContact O-N 2.95Å; K676-S678 VanDerWaalsContact O-N 3.08Å
677I24Very low24.3Very low164 Ų164136 Ų13684%0.84177%0.769SS**  trans-62101.3168.2-62.7158.3000107.8
678S24.7Very low24.3Very low111 Ų111138.3 Ų138.378%0.77677%0.773SS**  trans-80.9129.8162.353.80000108.6K676K676-S678 PolarHBondContact O-N 2.95Å; K676-S678 VanDerWaalsContact O-N 3.08Å
679Q23.5Very low23.8Very low171 Ų171139.9 Ų139.980%0.79977%0.774SS**  trans-53.5144.7-172-68.1174.6-27.100113.7I681Q679-I681 PolarHBondContact O-N 3.45Å; Q679-I681 VanDerWaalsContact O-N 3.15Å
680P25.4Very low23.5Very low126 Ų126134.9 Ų134.982%0.81876%0.763SS**  trans-67.8110.4174.726.6-31.2000109.7S682P680-S682 PolarHBondContact O-N 2.96Å
681I25Very low23.4Very low156 Ų156133.6 Ų133.680%0.876%0.761SS**  trans-65.6107.8170.3-62.9170.8000107.3Q679 S683Q679-I681 PolarHBondContact O-N 3.45Å; Q679-I681 VanDerWaalsContact O-N 3.15Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 3.27Å
682S20.9Very low23.2Very low118 Ų118132 Ų13283%0.82576%0.761SS**  trans-58.791.8163164.10000109.2P680P680-S682 PolarHBondContact O-N 2.96Å
683S24.1Very low23.4Very low79 Ų79135.1 Ų135.155%0.55277%0.765SS**  trans-120.291.9159.764.10000108.2I681 N685I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 3.27Å; S683-N685 PolarHBondContact O-N 2.91Å
684S21.9Very low23Very low97 Ų97133.7 Ų133.768%0.67876%0.764SS**  trans-54.675.3158.4155.90000109.4H686S684-H686 VanDerWaalsContact C-N 3.33Å; S684-H686 PolarHBondContact O-N 3.1Å
685N22.7Very low23Very low133 Ų133137.6 Ų137.671%0.71177%0.766SS**  trans-90.984.4158.8-74.7-21.3000105.7S683 M687S683-N685 PolarHBondContact O-N 2.91Å; N685-M687 PolarHBondContact O-N 3.25Å
686H21.6Very low22.8Very low169 Ų169133.5 Ų133.578%0.78276%0.757SS**  trans-59.879.5153.3-91.8-79000106.7S684 N688S684-H686 VanDerWaalsContact C-N 3.33Å; S684-H686 PolarHBondContact O-N 3.1Å; H686-N688 VanDerWaalsContact C-N 3.27Å; H686-N688 PolarHBondContact O-N 2.76Å
687M21.4Very low22.6Very low157 Ų157129.5 Ų129.577%0.77375%0.749SS**  trans-60102.4160.1-82.3-86.2-81.800104.8N685 I689N685-M687 PolarHBondContact O-N 3.25Å; M687-I689 PolarHBondContact O-N 3.26Å
688N22.2Very low22.5Very low158 Ų158127 Ų12785%0.84574%0.736SS**  trans-52.988.5160.6-87.8-28.3000106.7H686 S690H686-N688 VanDerWaalsContact C-N 3.27Å; H686-N688 PolarHBondContact O-N 2.76Å; N688-S690 PolarHBondContact O-N 2.8Å
689I20.1Very low22.4Very low145 Ų145128.8 Ų128.874%0.74474%0.737SS**  trans-68.897.3164.6-61.4171.9000103.5M687 S691M687-I689 PolarHBondContact O-N 3.26Å; I689-S691 PolarHBondContact O-N 2.96Å
690S21.9Very low22.4Very low90 Ų90127 Ų12763%0.62973%0.729SS**  trans-48.8111.9165.653.60000106.7N688 S692N688-S690 PolarHBondContact O-N 2.8Å; S690-S692 PolarHBondContact O-N 2.86Å
691S22.2Very low22.6Very low113 Ų113126.7 Ų126.779%0.7973%0.729SS**  trans-71.167.4172.659.30000108.7I689 L693I689-S691 PolarHBondContact O-N 2.96Å; S691-L693 PolarHBondContact O-N 3.07Å
692S23.6Very low22.7Very low98 Ų98124.1 Ų124.169%0.68573%0.731SS**  trans-89.544159.867.60000108.6S690 C694S690-S692 PolarHBondContact O-N 2.86Å; S692-C694 PolarHBondContact O-N 2.78Å
693L24.3Very low23Very low155 Ų155120.8 Ų120.881%0.81272%0.716SS**  trans-8382.6166.8-97.8145000106.7S691S691-L693 PolarHBondContact O-N 3.07Å
694C21.4Very low23.2Very low95 Ų95126.5 Ų126.564%0.64273%0.725SS**  trans39.6100.2143-54.30000114.9S692 T696S692-C694 PolarHBondContact O-N 2.78Å; C694-T696 PolarHBondContact O-N 2.8Å; C694-T696 PolarHBondContact O-OG1 2.93Å
695N21.4Very low23.3Very low162 Ų162130 Ų13087%0.86673%0.731SS**  trans-47.188149.3-77-14.3000108.6T697N695-T697 PolarHBondContact O-N 2.99Å; N695-T697 VanDerWaalsContact O-N 3.12Å
696T20.9Very low23.6Very low111 Ų111130.2 Ų130.268%0.68173%0.731SS**  trans-85.885.2168.2-36.20000103.6C694 I698C694-T696 PolarHBondContact O-N 2.8Å; C694-T696 PolarHBondContact O-OG1 2.93Å; T696-I698 HydrophobicContact CG2-CG1 4.38Å; T696-I698 PolarHBondContact O-N 2.82Å
697T21.6Very low23.9Very low111 Ų111128.5 Ų128.568%0.68173%0.727SS**  trans-65.788.1172.3-38.80000106.3N695 N699N695-T697 PolarHBondContact O-N 2.99Å; N695-T697 VanDerWaalsContact O-N 3.12Å; T697-N699 VanDerWaalsContact C-N 3.33Å; T697-N699 PolarHBondContact O-N 3.32Å
698I22.3Very low24.3Very low111 Ų111128 Ų12857%0.56973%0.727SS**  trans-71.699.6172.3-59.2174.9000105.1T696 H700T696-I698 HydrophobicContact CG2-CG1 4.38Å; T696-I698 PolarHBondContact O-N 2.82Å; I698-H700 WeakPolarHBondContact CG2-CE1 3.23Å; I698-H700 WeakPolarHBondContact CG2-NE2 3.41Å; I698-H700 PolarHBondContact O-CD2 2.77Å; I698-H700 PolarHBondContact O-N 3.03Å
699N22.4Very low24.4Very low150 Ų150123.3 Ų123.380%0.80272%0.716SS**  trans-62.186.3171.8-80.5-25.3000108.5T697 S701T697-N699 VanDerWaalsContact C-N 3.33Å; T697-N699 PolarHBondContact O-N 3.32Å; N699-S701 PolarHBondContact O-N 3.35Å
700H23.8Very low24.8Very low134 Ų134122.1 Ų122.162%0.6272%0.719SS**  trans-73.1110.3165.6-65.6-66.3000107.5I698 A702 G703I698-H700 WeakPolarHBondContact CG2-CE1 3.23Å; I698-H700 WeakPolarHBondContact CG2-NE2 3.41Å; I698-H700 PolarHBondContact O-CD2 2.77Å; I698-H700 PolarHBondContact O-N 3.03Å; H700-A702 PolarHBondContact O-N 3.09Å; H700-G703 PolarHBondContact O-N 2.83Å
701S28.2Very low25.1Very low118 Ų118125 Ų12583%0.82573%0.726SS**THydrogen-bonded Turntrans-48.4112.116052.10000108.2N699 G703N699-S701 PolarHBondContact O-N 3.35Å; S701-G703 PolarHBondContact O-N 3.14Å
702A28.5Very low25.5Very low102 Ų102126 Ų12684%0.84372%0.722SS**THydrogen-bonded Turntrans58.642.8178.200000115.7H700H700-A702 PolarHBondContact O-N 3.09Å
703G25.8Very low26Very low48 Ų48128.8 Ų128.850%0.49573%0.73SS.*  trans-84.1130.2171.100000112.8H700 S701 E705H700-G703 PolarHBondContact O-N 2.83Å; S701-G703 PolarHBondContact O-N 3.14Å; G703-E705 PolarHBondContact O-N 3.46Å
704W29Very low26.5Very low199 Ų199131.5 Ų131.575%0.75474%0.735SS**  trans-63.7121.7-179.3-56.975.5000112.1I706W704-I706 PolarHBondContact O-N 2.67Å
705E23.9Very low26.8Very low171 Ų171131.5 Ų131.580%0.79974%0.736SS**  trans-81.6101.5168-164.6176.9-157.600108.7G703 N707G703-E705 PolarHBondContact O-N 3.46Å; E705-N707 VanDerWaalsContact C-N 3.34Å; E705-N707 PolarHBondContact O-N 2.74Å; E705-N707 VanDerWaalsContact O-N 3.08Å
706I28.7Very low27.3Very low138 Ų138131.5 Ų131.571%0.70874%0.735SS**  trans-77.394.3168.3-59175.3000106.4W704 L708W704-I706 PolarHBondContact O-N 2.67Å; I706-L708 HydrophobicContact CG2-CD2 3.97Å; I706-L708 HydrophobicContact CG2-CG 4.29Å; I706-L708 PolarHBondContact O-N 2.66Å
707N27.6Very low27.7Very low132 Ų132131.4 Ų131.471%0.70674%0.736SS**  trans-6996.2172.4-135-40.7000108E705 G709E705-N707 VanDerWaalsContact C-N 3.34Å; E705-N707 PolarHBondContact O-N 2.74Å; E705-N707 VanDerWaalsContact O-N 3.08Å; N707-G709 PolarHBondContact O-N 3Å
708L29.9Very low28.1Very low147 Ų147131 Ų13177%0.7773%0.734SS**  trans-71.879.1172.6-66.2172.2000107.4I706 C710I706-L708 HydrophobicContact CG2-CD2 3.97Å; I706-L708 HydrophobicContact CG2-CG 4.29Å; I706-L708 PolarHBondContact O-N 2.66Å; L708-C710 PolarHBondContact O-N 2.81Å
709G25.4Very low28.4Very low60 Ų60136.8 Ų136.862%0.61975%0.748SS**  trans-48.7126.3174.200000109.5N707 I711N707-G709 PolarHBondContact O-N 3Å; G709-I711 PolarHBondContact O-N 3.19Å
710C27.8Very low28.6Very low119 Ų119138.4 Ų138.480%0.80475%0.745SS**  trans-47.8127-175.7-61.60000110.5L708 N712L708-C710 PolarHBondContact O-N 2.81Å; C710-N712 VanDerWaalsContact C-N 3.26Å; C710-N712 PolarHBondContact O-N 3.24Å
711I29.1Very low28.7Very low152 Ų152139.5 Ų139.578%0.77975%0.754SS**  trans-66.185.3-179.8-59166.2000107.9G709G709-I711 PolarHBondContact O-N 3.19Å
712N29.7Very low28.7Very low133 Ų133140 Ų14071%0.71175%0.746SS**  trans-77.9123.7160.2-91-16.4000107.1C710 K714 S715C710-N712 VanDerWaalsContact C-N 3.26Å; C710-N712 PolarHBondContact O-N 3.24Å; N712-K714 PolarHBondContact O-N 3.23Å; N712-S715 PolarHBondContact O-N 3.24Å
713N34.1Very low28.7Very low157 Ų157139.2 Ų139.284%0.8473%0.733SS**THydrogen-bonded Turntrans-56.622.1-165.8-78.7-26.7000118.1
714K34.4Very low29.3Very low212 Ų212142.5 Ų142.592%0.92274%0.743SS**THydrogen-bonded Turntrans-1371.2-178.5-67.1-171.5178.4179.40115.7N712N712-K714 PolarHBondContact O-N 3.23Å
715S28Very low29.6Very low94 Ų94140.2 Ų140.266%0.65775%0.745SS**  trans-139.6114.8176.457.90000111.2N712N712-S715 PolarHBondContact O-N 3.24Å
716L31.3Very low30Very low162 Ų162134.9 Ų134.985%0.84873%0.727SS**  trans-64.2144.5167.9-76.6165.3000109T718L716-T718 PolarHBondContact O-N 3.4Å
717P30.4Very low30.3Very low109 Ų109134.9 Ų134.971%0.70873%0.728SS**  trans-65.5109-173.824.1-31.7000110.6R719P717-R719 PolarHBondContact O-N 2.93Å; P717-R719 VanDerWaalsContact O-N 3.08Å
718T30.4Very low30.6Very low102 Ų102137.9 Ų137.963%0.62674%0.735SS**  trans-66.5102.7164.110.20000107.8L716 Y720L716-T718 PolarHBondContact O-N 3.4Å; T718-Y720 HydrophobicContact CG2-CE2 4.16Å; T718-Y720 PolarHBondContact O-N 3.2Å
719R28.2Very low30.7Very low233 Ų233140.3 Ų140.388%0.87974%0.736SS**  trans-70.999.1173.7-66.7-173.1-126.3-127.41.5108.9P717P717-R719 PolarHBondContact O-N 2.93Å; P717-R719 VanDerWaalsContact O-N 3.08Å
720Y26.2Very low30.7Very low185 Ų185147.6 Ų147.673%0.72574%0.744SS**  trans-91.6112.1161.9-61.5-77.1000108.1T718 I722T718-Y720 HydrophobicContact CG2-CE2 4.16Å; T718-Y720 PolarHBondContact O-N 3.2Å; Y720-I722 PolarHBondContact O-N 3.28Å
721L27.2Very low30.6Very low156 Ų156152.6 Ų152.682%0.81775%0.746SS**  trans-79.8103.8164.2-73.7165.6000106.7P723L721-P723 WeakPolarHBondContact O-CD 3.4Å
722I26.8Very low30.5Very low128 Ų128150.5 Ų150.566%0.65674%0.743SS**  trans-94.2115.8169.6-56.4176.9000106.7Y720 V724Y720-I722 PolarHBondContact O-N 3.28Å; I722-V724 PolarHBondContact O-N 3.19Å
723P28.9Very low30.4Very low87 Ų87150.9 Ų150.957%0.56574%0.743SS**  trans-65.8120.7171.9-14.128000109.3L721 D725L721-P723 WeakPolarHBondContact O-CD 3.4Å; P723-D725 PolarHBondContact O-N 3.1Å
724V37.3Very low30Very low116 Ų116154.7 Ų154.770%0.70375%0.746SS**THydrogen-bonded Turntrans-68.2-21.1-176.3-178.70000112.2I722I722-V724 PolarHBondContact O-N 3.19Å
725D35.7Very low29.5Very low152 Ų152146.7 Ų146.781%0.81372%0.723SS**THydrogen-bonded Turntrans-99.811.3-171.7-66.7-28.5000115.8P723 N727P723-D725 PolarHBondContact O-N 3.1Å; D725-N727 PolarHBondContact O-N 3.09Å
726S33.2Very low29.6Very low59 Ų59147.7 Ų147.741%0.41373%0.727SS.*G310 helixtrans-81.546.2175.879.40000113.2K728 Y729S726-K728 PolarHBondContact O-N 3.13Å; S726-Y729 PolarHBondContact O-N 3.37Å
727N34Very low29.3Very low137 Ų137147.9 Ų147.973%0.73372%0.722SS**G310 helixtrans-65.1-13.6167.4-86.1-24.9000112.4D725D725-N727 PolarHBondContact O-N 3.09Å
728K34.9Very low29.1Very low195 Ų195149.9 Ų149.985%0.84873%0.727SS**G310 helixtrans-80.2-11.1176-74.6-173.3177.9179.70115.3S726S726-K728 PolarHBondContact O-N 3.13Å
729Y31.3Very low29Very low199 Ų199151.1 Ų151.178%0.7873%0.728SS**SBendtrans-123.516.6-179.4-63.1-72.1000114.3S726 R731S726-Y729 PolarHBondContact O-N 3.37Å; Y729-R731 PolarHBondContact O-N 3.31Å
730R26.3Very low28.8Very low213 Ų213144.5 Ų144.580%0.80472%0.718SS**  trans-74.173.4167.9-134.1-177.6-168.9-160.33.9108.5P732R730-P732 WeakPolarHBondContact O-CD 3.47Å
731R25.5Very low28.9Very low224 Ų224141.3 Ų141.385%0.84572%0.722SS**  trans-66.9113.3157.2-75.2-170-172.5-173.93.1105.3Y729 I733Y729-R731 PolarHBondContact O-N 3.31Å; R731-I733 PolarHBondContact O-N 3Å
732P27.7Very low29Very low108 Ų108142.3 Ų142.370%0.70172%0.723SS**  trans-59.8114.9168.224.7-29.9000105.9R730 R734R730-P732 WeakPolarHBondContact O-CD 3.47Å; P732-R734 PolarHBondContact O-N 2.81Å
733I26.4Very low28.9Very low140 Ų140142.9 Ų142.972%0.71873%0.727SS**  trans-68.185164.9-59.1175.8000104.2R731 G735 F737R731-I733 PolarHBondContact O-N 3Å; I733-G735 PolarHBondContact O-N 3.06Å; I733-F737 HydrophobicContact CG2-CD2 4.33Å; I733-F737 HydrophobicContact CG2-CE2 4.14Å
734R25.5Very low28.7Very low238 Ų238147.1 Ų147.190%0.89874%0.739SS**  trans-67.7116.5169-107.8-173.8177.2-176.7-0.2105.8P732P732-R734 PolarHBondContact O-N 2.81Å
735G24.7Very low28.1Very low44 Ų44147.1 Ų147.145%0.45475%0.745SS.*SBendtrans117.1120.9169.400000111.4I733 F737I733-G735 PolarHBondContact O-N 3.06Å; G735-F737 PolarHBondContact O-N 3.24Å; G735-F737 VanDerWaalsContact O-N 3.14Å
736P28.8Very low27.5Very low114 Ų114149.1 Ų149.174%0.7475%0.746SS**  trans-54123.1160.625.2-30.4000106.4D738P736-D738 PolarHBondContact O-N 3.01Å
737F26Very low27.1Very low167 Ų167152.2 Ų152.273%0.73276%0.763SS**  trans-63.799.1166.5-97.6-88.2000106I733 G735 I739I733-F737 HydrophobicContact CG2-CD2 4.33Å; I733-F737 HydrophobicContact CG2-CE2 4.14Å; G735-F737 PolarHBondContact O-N 3.24Å; G735-F737 VanDerWaalsContact O-N 3.14Å; F737-I739 HydrophobicContact CB-CD1 4.39Å; F737-I739 HydrophobicContact CB-CG1 4.02Å; F737-I739 PolarHBondContact O-N 2.67Å
738D25.5Very low26.7Very low151 Ų151154 Ų15481%0.80777%0.771SS**  trans-62.975.3162.2-81.3-30000107.4P736 S740P736-D738 PolarHBondContact O-N 3.01Å; D738-S740 PolarHBondContact O-N 2.99Å
739I28.1Very low26.3Very low127 Ų127151.9 Ų151.965%0.65177%0.77SS**  trans-81.386.3163.3-50.2179.3000104.1F737 S741F737-I739 HydrophobicContact CB-CD1 4.39Å; F737-I739 HydrophobicContact CB-CG1 4.02Å; F737-I739 PolarHBondContact O-N 2.67Å; I739-S741 PolarHBondContact O-N 3.07Å
740S25.7Very low26Very low95 Ų95151 Ų15166%0.66477%0.772SS**  trans-43.7134.6167.955.70000109.6D738 Q742D738-S740 PolarHBondContact O-N 2.99Å; S740-Q742 VanDerWaalsContact C-N 3.33Å; S740-Q742 PolarHBondContact O-N 3.15Å
741S27.6Very low25.9Very low117 Ų117145.5 Ų145.582%0.81877%0.767SS**SBendtrans-51.985.7179.2540000111.9I739I739-S741 PolarHBondContact O-N 3.07Å
742Q28.9Very low25.9Very low178 Ų178143.4 Ų143.483%0.83277%0.766SS**  trans-157.21.4166.4-115.9170.741.700116.6S740S740-Q742 VanDerWaalsContact C-N 3.33Å; S740-Q742 PolarHBondContact O-N 3.15Å
743N24.7Very low25.9Very low140 Ų140144.1 Ų144.175%0.74976%0.763SS**SBendtrans-106.8108.9173-73.9-41000110.8S745N743-S745 PolarHBondContact O-N 3.42Å
744Q25.4Very low25.8Very low175 Ų175143.4 Ų143.482%0.81876%0.759SS**  trans-36.5128.6174.5-76167.2-19.200111.8F746Q744-F746 PolarHBondContact O-N 2.73Å
745S24.2Very low25.7Very low117 Ų117139.6 Ų139.682%0.81875%0.751SS**  trans-43.9105.9166.245.80000110.4N743 T747N743-S745 PolarHBondContact O-N 3.42Å; S745-T747 PolarHBondContact O-N 3.27Å
746F22.6Very low25.8Very low194 Ų194146.6 Ų146.685%0.85177%0.765SS**  trans-67.8113.2166-70.6-83.3000107.2Q744 L748Q744-F746 PolarHBondContact O-N 2.73Å; F746-L748 PolarHBondContact O-N 2.93Å; F746-L748 VanDerWaalsContact O-N 3.09Å
747T26.2Very low25.7Very low123 Ų123146.5 Ų146.576%0.75577%0.765SS**  trans-57.2113.7162.926.10000107.4S745 N749S745-T747 PolarHBondContact O-N 3.27Å; T747-N749 VanDerWaalsContact C-N 3.35Å; T747-N749 PolarHBondContact O-N 2.82Å
748L24.5Very low26Very low174 Ų174148.5 Ų148.591%0.91177%0.773SS**  trans-51.9104.1166-95.7152.3000106.9F746 Q750F746-L748 PolarHBondContact O-N 2.93Å; F746-L748 VanDerWaalsContact O-N 3.09Å; L748-Q750 PolarHBondContact O-N 2.88Å; L748-Q750 VanDerWaalsContact O-N 3.14Å
749N26.2Very low26.1Very low152 Ų152146.7 Ų146.781%0.81377%0.768SS**  trans-50.3123176.9-91.7-37.1000108.1T747 S751T747-N749 VanDerWaalsContact C-N 3.35Å; T747-N749 PolarHBondContact O-N 2.82Å; N749-S751 PolarHBondContact O-N 3.3Å
750Q25.5Very low26.1Very low179 Ų179147.6 Ų147.684%0.83677%0.772SS**  trans-40.2114.7177.4-76.9168.3-18.400109.6L748 H752L748-Q750 PolarHBondContact O-N 2.88Å; L748-Q750 VanDerWaalsContact O-N 3.14Å; Q750-H752 PolarHBondContact O-N 2.84Å
751S24.8Very low26.2Very low99 Ų99147.9 Ų147.969%0.69277%0.772SS**  trans-52.9117.2165.950.70000107.4N749 I753N749-S751 PolarHBondContact O-N 3.3Å; S751-I753 PolarHBondContact O-N 3.28Å
752H25.4Very low26.2Very low179 Ų179149.8 Ų149.883%0.82977%0.773SS**  trans-56.5104.7172.8-69.9-82.2000108.4Q750 I754Q750-H752 PolarHBondContact O-N 2.84Å; H752-I754 PolarHBondContact O-N 2.87Å
753I27.8Very low26Very low124 Ų124144.4 Ų144.464%0.63676%0.755SS**  trans-72.996.8173.9-59.5175.4000105.9S751 H755S751-I753 PolarHBondContact O-N 3.28Å; I753-H755 WeakPolarHBondContact CG2-NE2 3.35Å; I753-H755 PolarHBondContact O-CD2 2.86Å; I753-H755 PolarHBondContact O-N 2.69Å
754I24.6Very low26Very low124 Ų124143.2 Ų143.264%0.63676%0.756SS**  trans-72.1100168.8-60.4174.5000106.2H752 Y756H752-I754 PolarHBondContact O-N 2.87Å; I754-Y756 HydrophobicContact CG2-CE2 4.29Å; I754-Y756 PolarHBondContact O-N 3.15Å; I754-Y756 VanDerWaalsContact O-N 3.12Å
755H23.6Very low26.1Very low158 Ų158144.6 Ų144.673%0.73176%0.755SS**  trans-70.3102171.2-75.4-90.5000108.7I753I753-H755 WeakPolarHBondContact CG2-NE2 3.35Å; I753-H755 PolarHBondContact O-CD2 2.86Å; I753-H755 PolarHBondContact O-N 2.69Å
756Y25.3Very low26.2Very low191 Ų191145.8 Ų145.875%0.74975%0.752SS**  trans-66.9129.9161-65.6-82.6000108.1I754 K758I754-Y756 HydrophobicContact CG2-CE2 4.29Å; I754-Y756 PolarHBondContact O-N 3.15Å; I754-Y756 VanDerWaalsContact O-N 3.12Å; Y756-K758 PolarHBondContact O-N 3.19Å
757P26.3Very low26.4Very low113 Ų113142.8 Ų142.873%0.73475%0.75SS**  trans-56.3124.3174.620.4-29.4000109.3T759P757-T759 PolarHBondContact O-N 3.14Å
758K32.2Very low26.4Very low209 Ų209143.2 Ų143.291%0.90975%0.747SS**SBendtrans-76.117.4-167.7-131.4179-173.8-177.80114.2Y756Y756-K758 PolarHBondContact O-N 3.19Å
759T29.3Very low26.5Very low112 Ų112142.1 Ų142.169%0.68774%0.742SS**  trans-133.487.6-17552.90000108.8P757 P761P757-T759 PolarHBondContact O-N 3.14Å; T759-P761 WeakPolarHBondContact O-CD 3.24Å
760I28.1Very low26.6Very low147 Ų147144.1 Ų144.175%0.75474%0.744SS**  trans-71.2110.6149.2-60.5170.5000103.8N762I760-N762 PolarHBondContact O-N 3.11Å
761P26.2Very low26.7Very low100 Ų100142.9 Ų142.965%0.64974%0.742SS**  trans-61.6116.3172.423.2-28.7000107.5T759 S763T759-P761 WeakPolarHBondContact O-CD 3.24Å; P761-S763 PolarHBondContact O-N 2.82Å
762N28Very low26.8Very low157 Ų157142.3 Ų142.384%0.8474%0.738SS**  trans-68.443.5173.7-78.2-24.7000111.8I760 C764I760-N762 PolarHBondContact O-N 3.11Å; N762-C764 PolarHBondContact O-N 3.12Å; N762-C764 VanDerWaalsContact O-N 3.12Å
763S26Very low27Very low66 Ų66144.4 Ų144.446%0.46274%0.74SS.*  trans-87.765.3171.548.10000109.5P761 Y765P761-S763 PolarHBondContact O-N 2.82Å; S763-Y765 WeakPolarHBondContact O-CD2 3.38Å; S763-Y765 PolarHBondContact O-N 3.32Å
764C24.6Very low26.9Very low115 Ų115148.3 Ų148.378%0.77775%0.749SS**  trans-62.896.9148.9-68.30000105.9N762 L766N762-C764 PolarHBondContact O-N 3.12Å; N762-C764 VanDerWaalsContact O-N 3.12Å; C764-L766 VanDerWaalsContact C-N 3.26Å; C764-L766 PolarHBondContact O-N 2.86Å
765Y26.2Very low27Very low203 Ų203152 Ų15280%0.79676%0.76SS**  trans-60.194.2168.3-74.1-85.9000108S763 T767S763-Y765 WeakPolarHBondContact O-CD2 3.38Å; S763-Y765 PolarHBondContact O-N 3.32Å; Y765-T767 VanDerWaalsContact C-N 3.28Å; Y765-T767 PolarHBondContact O-N 3.37Å
766L26.9Very low27Very low143 Ų143150 Ų15075%0.74976%0.763SS**  trans-64.194.8159.2-91.5148000106.6C764 N768C764-L766 VanDerWaalsContact C-N 3.26Å; C764-L766 PolarHBondContact O-N 2.86Å; L766-N768 PolarHBondContact O-N 2.98Å
767T27.7Very low27.2Very low130 Ų130146.2 Ų146.280%0.79876%0.761SS**  trans-68.769.817052.70000109.8Y765Y765-T767 VanDerWaalsContact C-N 3.28Å; Y765-T767 PolarHBondContact O-N 3.37Å
768N25.4Very low27.2Very low132 Ų132148.9 Ų148.971%0.70677%0.769SS**  trans-115.215.2173.9-86.6-7.7000113.1L766 K770L766-N768 PolarHBondContact O-N 2.98Å; N768-K770 PolarHBondContact O-N 3.03Å
769N26.8Very low27Very low151 Ų151147.4 Ų147.481%0.80777%0.765SS**  trans-95.8102.5175.6-74.4-12.8000109.6L771N769-L771 PolarHBondContact O-N 2.97Å; N769-L771 VanDerWaalsContact O-N 3.1Å
770K28.8Very low27Very low194 Ų194146.7 Ų146.784%0.84377%0.765SS**  trans-37.2117.6155.1-71.1177176178.30107.9N768 S772N768-K770 PolarHBondContact O-N 3.03Å; K770-S772 VanDerWaalsContact C-N 3.33Å; K770-S772 PolarHBondContact O-N 3.25Å
771L26.9Very low26.9Very low154 Ų154147.2 Ų147.281%0.80677%0.768SS**  trans-50.7100.9170.9-111.879.4000107.6N769 Y773N769-L771 PolarHBondContact O-N 2.97Å; N769-L771 VanDerWaalsContact O-N 3.1Å; L771-Y773 PolarHBondContact O-N 2.88Å
772S27.8Very low27Very low86 Ų86151 Ų15160%0.60178%0.777SS**  trans-74.7112163.5-65.30000104.8K770 Y774K770-S772 VanDerWaalsContact C-N 3.33Å; K770-S772 PolarHBondContact O-N 3.25Å; S772-Y774 PolarHBondContact O-N 3.41Å
773Y27.6Very low27.1Very low223 Ų223151.5 Ų151.588%0.87577%0.774SS**  trans-57.587.1170.2-81.6-97.6000108.6L771 K775L771-Y773 PolarHBondContact O-N 2.88Å; Y773-K775 PolarHBondContact O-N 2.85Å
774Y26.9Very low27.1Very low207 Ų207153.7 Ų153.781%0.81279%0.79SS**  trans-75.1102.9165-84.1-84.5000106.8S772 C776S772-Y774 PolarHBondContact O-N 3.41Å; Y774-C776 PolarHBondContact O-N 3.14Å; Y774-C776 VanDerWaalsContact O-N 3.11Å
775K26Very low27.3Very low202 Ų202154 Ų15488%0.87879%0.788SS**  trans-53113.6159-86.4179.1171.8178.90106.7Y773 P777Y773-K775 PolarHBondContact O-N 2.85Å; K775-P777 WeakPolarHBondContact O-CD 3.25Å
776C24Very low27.3Very low116 Ų116153 Ų15378%0.78479%0.793SS**  trans-53.2124.3169.3-72.90000108.4Y774 N778Y774-C776 PolarHBondContact O-N 3.14Å; Y774-C776 VanDerWaalsContact O-N 3.11Å; C776-N778 PolarHBondContact O-N 3.28Å
777P29.1Very low27.4Very low110 Ų110153.3 Ų153.371%0.71479%0.794SS**  trans-60137.8168.9-1629.1000108.5K775 E779K775-P777 WeakPolarHBondContact O-CD 3.25Å; P777-E779 PolarHBondContact O-N 3.08Å
778N27.5Very low27.5Very low169 Ų169151.6 Ų151.690%0.90479%0.787SS**  trans-59.985.9168.9-74-26.9000108.9C776 S780C776-N778 PolarHBondContact O-N 3.28Å; N778-S780 VanDerWaalsContact C-N 3.33Å; N778-S780 PolarHBondContact O-N 3.29Å
779E28.1Very low27.6Very low178 Ų178155.2 Ų155.283%0.83280%0.796SS**  trans-72.898.8164.5-78.7-173.8173.200107.1P777 I781P777-E779 PolarHBondContact O-N 3.08Å; E779-I781 PolarHBondContact O-N 3.22Å; E779-I781 VanDerWaalsContact O-N 3.11Å
780S29Very low27.8Very low98 Ų98153.7 Ų153.769%0.68579%0.792SS**  trans-45115.6165.8510000109.1N778 Q782N778-S780 VanDerWaalsContact C-N 3.33Å; N778-S780 PolarHBondContact O-N 3.29Å; S780-Q782 VanDerWaalsContact C-N 3.35Å; S780-Q782 PolarHBondContact O-N 3.09Å
781I25.3Very low27.8Very low157 Ų157153.9 Ų153.981%0.80579%0.793SS**  trans-54.5100.5169.6-63.4164.5000106.8E779 Q783E779-I781 PolarHBondContact O-N 3.22Å; E779-I781 VanDerWaalsContact O-N 3.11Å; I781-Q783 VanDerWaalsContact C-N 3.27Å; I781-Q783 HydrophobicContact CG2-CG 4.43Å; I781-Q783 PolarHBondContact O-N 3.16Å
782Q29.1Very low28.1Very low180 Ų180152.4 Ų152.484%0.84179%0.791SS**  trans-68.496.8164.5-75.7-167.5-10.600106S780 S784S780-Q782 VanDerWaalsContact C-N 3.35Å; S780-Q782 PolarHBondContact O-N 3.09Å; Q782-S784 PolarHBondContact O-N 3.29Å
783Q28.4Very low28.1Very low168 Ų168155 Ų15579%0.78580%0.798SS**  trans-56.4104.4165.5-76.8179.8-13.200107.2I781 T785I781-Q783 VanDerWaalsContact C-N 3.27Å; I781-Q783 HydrophobicContact CG2-CG 4.43Å; I781-Q783 PolarHBondContact O-N 3.16Å; Q783-T785 PolarHBondContact O-N 3.13Å; Q783-T785 PolarHBondContact O-OG1 3.39Å
784S26.3Very low28.2Very low112 Ų112151.8 Ų151.878%0.78380%0.796SS**  trans-65.691.6170.6660000107.6Q782 M786Q782-S784 PolarHBondContact O-N 3.29Å; S784-M786 PolarHBondContact O-N 3.2Å; S784-M786 VanDerWaalsContact O-N 3.14Å
785T29.3Very low28.5Very low120 Ų120147.7 Ų147.774%0.73679%0.793SS**  trans-65.2114.2167.3-17.10000105.6Q783 I787Q783-T785 PolarHBondContact O-N 3.13Å; Q783-T785 PolarHBondContact O-OG1 3.39Å; T785-I787 VanDerWaalsContact C-N 3.25Å; T785-I787 PolarHBondContact O-N 3.4Å
786M25.4Very low28.9Very low183 Ų183144.3 Ų144.390%0.90179%0.789SS**  trans-61.493.1169.5-78.6-160.7-179.700107.8S784 S788S784-M786 PolarHBondContact O-N 3.2Å; S784-M786 VanDerWaalsContact O-N 3.14Å; M786-S788 VanDerWaalsContact C-N 3.31Å; M786-S788 PolarHBondContact O-N 3.37Å
787I30.9Very low29.2Very low150 Ų150142.2 Ų142.277%0.76979%0.787SS**  trans-74.995.7168.9-60.1172.3000105.7T785 K789T785-I787 VanDerWaalsContact C-N 3.25Å; T785-I787 PolarHBondContact O-N 3.4Å; I787-K789 PolarHBondContact O-N 3.42Å
788S28.1Very low29.1Very low93 Ų93143.8 Ų143.865%0.6579%0.788SS**  trans-49.7120.816643.60000109.2M786 T790M786-S788 VanDerWaalsContact C-N 3.31Å; M786-S788 PolarHBondContact O-N 3.37Å; S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.44Å
789K29Very low29.2Very low208 Ų208143.1 Ų143.190%0.90478%0.779SS**  trans-57.987.6174.6-66.9176.1177178.50110.3I787 K791I787-K789 PolarHBondContact O-N 3.42Å; K789-K791 PolarHBondContact O-N 3.41Å
790T30.2Very low29.3Very low119 Ų119146.5 Ų146.573%0.7380%0.795SS**  trans-76.6105.2161.425.20000107.5S788 T792S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.44Å; T790-T792 PolarHBondContact O-N 3.28Å
791K29.3Very low29.4Very low199 Ų199149 Ų14987%0.86580%0.8SS**  trans-47.9102.3162.1-76.1175.5171.6179.30108.3K789K789-K791 PolarHBondContact O-N 3.41Å
792T31.9Very low29.6Very low122 Ų122148.5 Ų148.575%0.74880%0.8SS**  trans-96.2117.9160.635.30000105.6T790 D794T790-T792 PolarHBondContact O-N 3.28Å; T792-D794 PolarHBondContact O-N 3.4Å
793N29.6Very low29.6Very low140 Ų140146.8 Ų146.875%0.74980%0.797SS**  trans-64.5119.4176.3-70.4-33.9000107.5T795N793-T795 PolarHBondContact O-N 3.13Å
794D29.6Very low29.7Very low156 Ų156145.5 Ų145.583%0.83480%0.798SS**  trans-64.282.6163-72-38000108.2T792 T796T792-D794 PolarHBondContact O-N 3.4Å; D794-T796 VanDerWaalsContact C-N 3.34Å; D794-T796 PolarHBondContact O-N 3.3Å
795T33.1Very low29.9Very low122 Ų122147.6 Ų147.675%0.74880%0.799SS**  trans-85.392.2160-44.70000106.1N793 G797N793-T795 PolarHBondContact O-N 3.13Å; T795-G797 VanDerWaalsContact C-N 3.32Å; T795-G797 PolarHBondContact O-N 3.4Å
796T33.7Very low29.9Very low130 Ų130149.5 Ų149.580%0.79880%0.803SS**  trans-48.295.7159.543.60000109.3D794D794-T796 VanDerWaalsContact C-N 3.34Å; D794-T796 PolarHBondContact O-N 3.3Å
797G29.9Very low30.2Very low72 Ų72147.1 Ų147.174%0.74280%0.796SS**  trans-112.8103.1174.100000109.2T795T795-G797 VanDerWaalsContact C-N 3.32Å; T795-G797 PolarHBondContact O-N 3.4Å
798I26.7Very low30.2Very low144 Ų144146.8 Ų146.874%0.73880%0.798SS**  trans-64.1141.6175-60.6156.6000109.9
799H29.4Very low30.4Very low155 Ų155151.3 Ų151.372%0.71881%0.811SS**  159.1121.6128.6-93.5-77.3000112.8
800H32Very low30.5Very low249 Ų249146.2 Ų146.2100%1.15380%0.802SS**  trans540156.4-65.6-55.9000121

Retrieved 800 of 800 residues in 577.9 ms (Link to these results)