A0A3Q0KKJ7_SCHMA Loading...

Putative serine-rich repeat protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KKJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,080 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.7Very low33.4Very low228 Ų228155.6 Ų155.6100%1.12378%0.779SS**  0134.40-65.6-53.7-171.400109.1
2D31.8Very low33.8Very low150 Ų150149.7 Ų149.780%0.80276%0.759SS**  trans51.180.8156.6-52.8-5.8000119.3K4D2-K4 PolarHBondContact O-N 3.03Å
3K33.4Very low34.1Very low208 Ų208142.5 Ų142.590%0.90474%0.737SS**  trans-68107.9152.8-77.7-176.7176.2177.70109.2L5K3-L5 PolarHBondContact O-N 2.89Å
4K30.3Very low34.5Very low195 Ų195139.8 Ų139.885%0.84872%0.723SS**  trans-61.7125.7165.4-71.6-178.3177.4178.20109.5D2D2-K4 PolarHBondContact O-N 3.03Å
5L34.2Very low35.1Very low154 Ų154136.2 Ų136.281%0.80670%0.704SS**  trans-77.1121.9172.1-88.8161.5000110K3 T7K3-L5 PolarHBondContact O-N 2.89Å; L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.16Å
6N29.1Very low35.3Very low117 Ų117134.8 Ų134.863%0.62670%0.698SS**  trans-7679.4178.1-75-17.8000111.4T8 L9N6-T8 PolarHBondContact O-N 2.94Å; N6-L9 HydrophobicContact CB-CD1 4.39Å
7T31.4Very low35.6Very low128 Ų128133.2 Ų133.279%0.78569%0.691SS**THydrogen-bonded Turntrans-73.7-0.117748.30000114.3L5L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.16Å
8T35.1Very low36Very low112 Ų112129.5 Ų129.569%0.68768%0.675SS**THydrogen-bonded Turntrans-87.5-10.5-177.3470000115.1N6N6-T8 PolarHBondContact O-N 2.94Å
9L36.9Very low36.5Very low124 Ų124126.7 Ų126.765%0.64966%0.664SS**SBendtrans-90-14.7-170.9-92.4159.3000116N6N6-L9 HydrophobicContact CB-CD1 4.39Å
10F33.5Very low36.6Very low153 Ų153126.6 Ų126.667%0.67166%0.66SS**Hα-helixtrans-88-14.1-174.1-88.6-81.7000115.5L14F10-L14 PolarHBondContact O-N 3Å
11H40.4Very low36.8Very low143 Ų143124.8 Ų124.866%0.66265%0.65SS**Hα-helixtrans-69.2-38.4-174.6-143.3-58.3000114.7I15H11-I15 WeakPolarHBondContact ND1-CD1 3.17Å; H11-I15 WeakPolarHBondContact O-CG1 3.04Å
12P37.7Very low37.4Very low84 Ų84119.9 Ų119.955%0.54562%0.623SS.*Hα-helixtrans-71.6-39176.2-19.433.3000112.9I15 N16P12-I15 PolarHBondContact O-N 2.88Å; P12-N16 PolarHBondContact O-N 3.22Å
13A38Very low37.7Very low57 Ų57118 Ų11847%0.47161%0.609SS.*Hα-helixtrans-66-41.2-17600000112.5N16 L17A13-N16 PolarHBondContact O-N 3.48Å; A13-L17 WeakPolarHBondContact O-CB 3.37Å; A13-L17 PolarHBondContact O-N 2.88Å
14L39.6Very low37.8Very low104 Ų104111.5 Ų111.555%0.54558%0.584SS.*Hα-helixtrans-68.1-33.8175.2-96.4159.5000112.9F10 T18F10-L14 PolarHBondContact O-N 3Å; L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 WeakPolarHBondContact O-CG2 3.4Å; L14-T18 PolarHBondContact O-N 2.65Å; L14-T18 PolarHBondContact O-OG1 3.27Å
15I43.6Very low38.3Very low86 Ų86106.2 Ų106.244%0.44156%0.564SS.*Hα-helixtrans-68.9-45.6174.1-68.9173.3000110.3H11 P12 T18 T19H11-I15 WeakPolarHBondContact ND1-CD1 3.17Å; H11-I15 WeakPolarHBondContact O-CG1 3.04Å; P12-I15 PolarHBondContact O-N 2.88Å; I15-T18 PolarHBondContact O-N 3.14Å; I15-T18 PolarHBondContact O-OG1 2.88Å; I15-T19 HydrophobicContact CG2-CG2 4.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.12Å; I15-T19 PolarHBondContact O-N 3.02Å; I15-T19 PolarHBondContact O-OG1 2.84Å; I15-T19 VanDerWaalsContact O-OG1 3.09Å
16N37.8Very low38.6Very low114 Ų114103.4 Ų103.461%0.6155%0.549SS*.Hα-helixtrans-64.7-39.6175.3-915.1000112.8P12 A13 T18 T19 H20P12-N16 PolarHBondContact O-N 3.22Å; A13-N16 PolarHBondContact O-N 3.48Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 2.99Å; N16-T19 WeakPolarHBondContact CA-OG1 3.36Å; N16-T19 PolarHBondContact O-N 3.01Å; N16-T19 PolarHBondContact O-OG1 3.3Å; N16-H20 VanDerWaalsContact O-CB 3.29Å; N16-H20 WeakPolarHBondContact O-CB 3.19Å; N16-H20 PolarHBondContact O-N 3.4Å
17L41Very low38.8Very low108 Ų108102.7 Ų102.757%0.56554%0.542SS*.Hα-helixtrans-64.3-41.2177.2-170.371.2000111.2A13 L21A13-L17 WeakPolarHBondContact O-CB 3.37Å; A13-L17 PolarHBondContact O-N 2.88Å; L17-L21 HydrophobicContact CG-CD1 4.26Å; L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.41Å
18T42.8Very low39Very low66 Ų66104.4 Ų104.441%0.40554%0.541SS..Hα-helixtrans-71.1-40.9177.4490000112.5L14 I15 N16 L21 F22L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 WeakPolarHBondContact O-CG2 3.4Å; L14-T18 PolarHBondContact O-N 2.65Å; L14-T18 PolarHBondContact O-OG1 3.27Å; I15-T18 PolarHBondContact O-N 3.14Å; I15-T18 PolarHBondContact O-OG1 2.88Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 2.99Å; T18-L21 PolarHBondContact O-N 2.89Å; T18-F22 WeakPolarHBondContact O-CB 3.24Å; T18-F22 VanDerWaalsContact O-CD2 3.32Å; T18-F22 WeakPolarHBondContact O-CD2 3.27Å; T18-F22 PolarHBondContact O-N 3.07Å
19T45.8Very low39Very low77 Ų77107 Ų10747%0.47254%0.543SS..Hα-helixtrans-66.2-38.7175.354.70000112.2I15 N16 F22 H23I15-T19 HydrophobicContact CG2-CG2 4.48Å; I15-T19 WeakPolarHBondContact O-CG2 3.12Å; I15-T19 PolarHBondContact O-N 3.02Å; I15-T19 PolarHBondContact O-OG1 2.84Å; I15-T19 VanDerWaalsContact O-OG1 3.09Å; N16-T19 WeakPolarHBondContact CA-OG1 3.36Å; N16-T19 PolarHBondContact O-N 3.01Å; N16-T19 PolarHBondContact O-OG1 3.3Å; T19-F22 PolarHBondContact O-N 3.3Å; T19-H23 PolarHBondContact O-N 3.45Å
20H38.3Very low38.9Very low124 Ų124107.6 Ų107.657%0.57455%0.545SS*.Hα-helixtrans-70-36.1177.2-145.7-41.7000112.3N16 H23 N24N16-H20 VanDerWaalsContact O-CB 3.29Å; N16-H20 WeakPolarHBondContact O-CB 3.19Å; N16-H20 PolarHBondContact O-N 3.4Å; H20-H23 PolarHBondContact O-N 3.2Å; H20-N24 PolarHBondContact ND1-OD1 3.33Å; H20-N24 WeakPolarHBondContact O-CB 3.5Å; H20-N24 PolarHBondContact O-N 3.05Å; H20-N24 PolarHBondContact O-OD1 3.3Å
21L41.8Very low38.4Very low89 Ų89106.2 Ų106.247%0.46655%0.545SS..Hα-helixtrans-63.7-42.3168.9-82.1166.3000111.7L17 T18 N24 I25L17-L21 HydrophobicContact CG-CD1 4.26Å; L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.41Å; T18-L21 PolarHBondContact O-N 2.89Å; L21-N24 PolarHBondContact O-N 2.87Å; L21-I25 VanDerWaalsContact O-CB 3.27Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.16Å; L21-I25 PolarHBondContact O-N 3.5Å
22F43.7Very low37.8Very low125 Ų125104.5 Ų104.555%0.54854%0.544SS..Hα-helixtrans-65.2-38.7175.5-93.7-73.2000112.5T18 T19 I25 I26T18-F22 WeakPolarHBondContact O-CB 3.24Å; T18-F22 VanDerWaalsContact O-CD2 3.32Å; T18-F22 WeakPolarHBondContact O-CD2 3.27Å; T18-F22 PolarHBondContact O-N 3.07Å; T19-F22 PolarHBondContact O-N 3.3Å; F22-I25 PolarHBondContact O-N 3.48Å; F22-I26 WeakPolarHBondContact O-CB 3.27Å; F22-I26 WeakPolarHBondContact O-CD1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.11Å; F22-I26 PolarHBondContact O-N 3.42Å
23H38.5Very low37.4Very low110 Ų110109.1 Ų109.151%0.50956%0.559SS.*Hα-helixtrans-62.1-52.3174.7-143.4-83.3000110.4T19 H20 I25 I26 E27T19-H23 PolarHBondContact O-N 3.45Å; H20-H23 PolarHBondContact O-N 3.2Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.39Å; H23-I26 PolarHBondContact O-N 3.2Å; H23-I26 VanDerWaalsContact O-N 3.09Å; H23-E27 VanDerWaalsContact CE1-CD 3.46Å; H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 PolarHBondContact CE1-OE1 3.22Å; H23-E27 IonicContact CE1-OE2 3.61Å; H23-E27 PolarHBondContact CE1-OE2 2.84Å; H23-E27 IonicContact CG-OE2 3.43Å; H23-E27 IonicContact ND1-OE1 2.65Å; H23-E27 IonicContact ND1-OE2 3.86Å; H23-E27 PolarHBondContact ND1-OE2 2.89Å; H23-E27 PolarHBondContact O-N 3.24Å
24N35.1Very low36.9Very low72 Ų72114.1 Ų114.139%0.38558%0.578SS.*Hα-helixtrans-59-40.8177.6-67.811.1000112.2H20 L21 I26 H28H20-N24 PolarHBondContact ND1-OD1 3.33Å; H20-N24 WeakPolarHBondContact O-CB 3.5Å; H20-N24 PolarHBondContact O-N 3.05Å; H20-N24 PolarHBondContact O-OD1 3.3Å; L21-N24 PolarHBondContact O-N 2.87Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 2.92Å; N24-H28 VanDerWaalsContact O-CB 3.29Å; N24-H28 WeakPolarHBondContact O-CB 3.3Å; N24-H28 PolarHBondContact O-N 2.64Å
25I41.2Very low36.3Very low84 Ų84119 Ų11943%0.43160%0.595SS.*Hα-helixtrans-69.6-28.9178.4-72.3166.3000112.3L21 F22 H23 K29L21-I25 VanDerWaalsContact O-CB 3.27Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.05Å; L21-I25 WeakPolarHBondContact O-CG1 3.16Å; L21-I25 PolarHBondContact O-N 3.5Å; F22-I25 PolarHBondContact O-N 3.48Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 3.39Å; I25-K29 WeakPolarHBondContact O-CB 3.34Å; I25-K29 WeakPolarHBondContact O-CG 3.06Å
26I39.1Very low35.4Very low95 Ų95123.8 Ų123.849%0.48761%0.612SS.*Hα-helixtrans-79.9-43.2176.6-71.2167.2000110.4F22 H23 N24 K29 I30F22-I26 WeakPolarHBondContact O-CB 3.27Å; F22-I26 WeakPolarHBondContact O-CD1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.11Å; F22-I26 PolarHBondContact O-N 3.42Å; H23-I26 PolarHBondContact O-N 3.2Å; H23-I26 VanDerWaalsContact O-N 3.09Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 2.92Å; I26-K29 PolarHBondContact O-N 3.2Å; I26-I30 HydrophobicContact CG2-CD1 4.05Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.43Å
27E34.1Very low34.8Very low102 Ų102124.5 Ų124.548%0.47763%0.625SS.*Hα-helixtrans-70.7-44.4179.3-70.6178.8128.900112.5H23 K29 I30 N31H23-E27 VanDerWaalsContact CE1-CD 3.46Å; H23-E27 IonicContact CE1-OE1 2.74Å; H23-E27 PolarHBondContact CE1-OE1 3.22Å; H23-E27 IonicContact CE1-OE2 3.61Å; H23-E27 PolarHBondContact CE1-OE2 2.84Å; H23-E27 IonicContact CG-OE2 3.43Å; H23-E27 IonicContact ND1-OE1 2.65Å; H23-E27 IonicContact ND1-OE2 3.86Å; H23-E27 PolarHBondContact ND1-OE2 2.89Å; H23-E27 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact O-N 3.15Å; E27-I30 PolarHBondContact O-N 3.35Å; E27-N31 PolarHBondContact O-N 3.31Å; E27-N31 VanDerWaalsContact O-N 3.11Å
28H35.1Very low34.2Very low163 Ų163127.5 Ų127.576%0.75564%0.64SS**THydrogen-bonded Turntrans-65.4-13.6172.8-89.5-78.7000114N24N24-H28 VanDerWaalsContact O-CB 3.29Å; N24-H28 WeakPolarHBondContact O-CB 3.3Å; N24-H28 PolarHBondContact O-N 2.64Å
29K36.4Very low33.3Very low168 Ų168128 Ų12873%0.7366%0.659SS**THydrogen-bonded Turntrans-93.8-5.5172.4-82.3-175.4172.7177.80114.3I25 I26 E27I25-K29 WeakPolarHBondContact O-CB 3.34Å; I25-K29 WeakPolarHBondContact O-CG 3.06Å; I26-K29 PolarHBondContact O-N 3.2Å; E27-K29 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact O-N 3.15Å
30I32.7Very low32.5Very low135 Ų135131 Ų13169%0.69267%0.671SS**THydrogen-bonded Turntrans-110.8-28.9-179-68.3173.1000111.5I26 E27I26-I30 HydrophobicContact CG2-CD1 4.05Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.43Å; E27-I30 PolarHBondContact O-N 3.35Å
31N25Very low32Very low125 Ų125133.6 Ų133.667%0.66868%0.683SS**SBendtrans-94.8117.9176.6-92.9-26.8000114.9E27E27-N31 PolarHBondContact O-N 3.31Å; E27-N31 VanDerWaalsContact O-N 3.11Å
32T26.7Very low31.3Very low106 Ų106134.9 Ų134.965%0.6570%0.7SS**SBendtrans70.2119.4147.150.80000122N34T32-N34 PolarHBondContact O-N 3.43Å; T32-N34 VanDerWaalsContact O-N 3.12Å
33Q28.9Very low30.7Very low182 Ų182133.5 Ų133.585%0.8570%0.697SS**SBendtrans76.3-21.8138-65-179.5-1.500121.7F35Q33-F35 PolarHBondContact O-N 3.43Å
34N28.1Very low30.2Very low162 Ų162134.7 Ų134.787%0.86671%0.707SS**  trans-89.115.4177.4-83.2-20.9000116.1T32 K36T32-N34 PolarHBondContact O-N 3.43Å; T32-N34 VanDerWaalsContact O-N 3.12Å; N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 2.94Å; N34-K36 VanDerWaalsContact O-N 3.13Å
35F26.6Very low30.1Very low206 Ų206141.8 Ų141.890%0.90473%0.73SS**  trans-84.871.7169.4-96.1-80000112.3Q33Q33-F35 PolarHBondContact O-N 3.43Å
36K24.8Very low29.7Very low187 Ų187146.9 Ų146.981%0.81375%0.752SS**  trans-133.2156.4157.8-83.6-175.8176.2176.40109N34N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 2.94Å; N34-K36 VanDerWaalsContact O-N 3.13Å
37C24.9Very low29.5Very low129 Ų129149 Ų14987%0.87276%0.76SS**  trans66.760.5176.1-56.40000116.8
38L27.9Very low29.5Very low170 Ų170151 Ų15189%0.8977%0.767SS**  trans-144.4117.7132.1-109173.3000109.1L40L38-L40 PolarHBondContact O-N 2.86Å
39G25.6Very low29.4Very low77 Ų77149.5 Ų149.579%0.79476%0.761SS**  trans-78.289.4-167.500000113.8
40L28.2Very low29Very low141 Ų141148.7 Ų148.774%0.73877%0.765SS**  trans-115.354.6165.8-73.2175000111L38 I43L38-L40 PolarHBondContact O-N 2.86Å; L40-I43 HydrophobicContact CD2-CD1 4Å
41Q27.1Very low28.8Very low177 Ų177149.7 Ų149.783%0.82777%0.766SS**  trans-81.6127.5170.2-166.6164.7-100108.8
42S27.4Very low29Very low117 Ų117150.9 Ų150.982%0.81877%0.771SS**  trans47.188176.351.80000116.7
43I30.4Very low29Very low95 Ų95154.8 Ų154.849%0.48778%0.782SS.*  trans-124.8124.8154.5-61.1178.7000107.5L40L40-I43 HydrophobicContact CD2-CD1 4Å
44D29.3Very low29Very low135 Ų135152 Ų15272%0.72278%0.777SS**  trans-63.6145.8-172.8-90-52.6000114.2E46D44-E46 PolarHBondContact O-N 3.4Å
45Y32Very low29Very low221 Ų221149.8 Ų149.887%0.86777%0.769SS**THydrogen-bonded Turntrans-71.4-12-171.5-102.7-92.5000114.8
46E32.6Very low29Very low191 Ų191147 Ų14789%0.89376%0.763SS**THydrogen-bonded Turntrans-91.1-19.8-177.3-64.9-158.7127.200114.8D44 K48D44-E46 PolarHBondContact O-N 3.4Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.29Å
47Q35.4Very low29Very low139 Ų139145 Ų14565%0.6576%0.756SS**G310 helixtrans-80.3-10.4-179.2-71-172.7-12.800114.2E49Q47-E49 PolarHBondContact O-N 3.15Å
48K33.3Very low29.2Very low145 Ų145146.3 Ų146.363%0.6375%0.747SS**G310 helixtrans-80.45.9-169.6-101.2174.2179.7165.30117.2E46E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.29Å
49E33.4Very low28.9Very low131 Ų131144.3 Ų144.361%0.61274%0.738SS**G310 helixtrans-96.6-13.6173.5-64.6-147.5129.700114.7Q47 R145Q47-E49 PolarHBondContact O-N 3.15Å; E49-R145 IonicContact OE1-CZ 3.43Å; E49-R145 IonicContact OE1-NE 2.74Å; E49-R145 PolarHBondContact OE1-NE 3.4Å; E49-R145 IonicContact OE1-NH2 3.47Å; E49-R145 PolarHBondContact OE1-NH2 3.46Å; E49-R145 IonicContact OE2-NH2 3.9Å; E49-R145 PolarHBondContact OE2-NH2 3.49Å
50N28.2Very low29Very low152 Ų152147.5 Ų147.581%0.81374%0.735SS**SBendtrans-1179.9-171.9-74.3-4.5000115.7
51Q29Very low28.8Very low155 Ų155148.3 Ų148.372%0.72474%0.739SS**  trans-126.865.5176.8-73.4-175.5-17.800111.8
52I30.1Very low28.7Very low151 Ų151145.3 Ų145.377%0.77474%0.737SS**  trans-117.153.4160.2-47.3-177.9000108
53E26.8Very low28.6Very low187 Ų187145.4 Ų145.487%0.87474%0.738SS**  trans-146.266.4174.3-169.2160.1-13100107.8
54V28.8Very low28.5Very low124 Ų124146.7 Ų146.775%0.75276%0.755SS**  trans-126.7123.9171.9-179.90000107.9L56V54-L56 PolarHBondContact O-N 3.4Å
55V26.8Very low28.2Very low115 Ų115145.8 Ų145.870%0.69776%0.759SS**  trans-47.8128-177.5176.60000112.4Q57V55-Q57 HydrophobicContact CG1-CB 3.74Å
56L27.7Very low27.9Very low147 Ų147140.7 Ų140.777%0.7776%0.756SS**  trans-118.676.4157.1-79.3178000108.7V54 F58V54-L56 PolarHBondContact O-N 3.4Å; L56-F58 HydrophobicContact CB-CD2 4.28Å; L56-F58 HydrophobicContact CB-CE2 4.44Å; L56-F58 HydrophobicContact CD1-CE2 4.43Å; L56-F58 HydrophobicContact CD2-CE2 4.05Å; L56-F58 PolarHBondContact O-N 3.24Å
57Q24.8Very low27.6Very low145 Ų145137.1 Ų137.168%0.67875%0.752SS**  trans-7695.7167.3-180172.1-24.600107.8V55 D59V55-Q57 HydrophobicContact CG1-CB 3.74Å; Q57-D59 PolarHBondContact NE2-OD2 3.42Å; Q57-D59 PolarHBondContact O-N 3.03Å
58F28.2Very low27.2Very low157 Ų157134.7 Ų134.769%0.68975%0.751SS**  trans-90.186.6173.4-94.7-75.2000109.9L56 I60L56-F58 HydrophobicContact CB-CD2 4.28Å; L56-F58 HydrophobicContact CB-CE2 4.44Å; L56-F58 HydrophobicContact CD1-CE2 4.43Å; L56-F58 HydrophobicContact CD2-CE2 4.05Å; L56-F58 PolarHBondContact O-N 3.24Å; F58-I60 HydrophobicContact CD1-CD1 4.07Å; F58-I60 HydrophobicContact CD1-CG1 4.32Å; F58-I60 PolarHBondContact O-N 2.92Å; F58-I60 VanDerWaalsContact O-N 3.13Å
59D22.7Very low26.9Very low129 Ų129133.4 Ų133.469%0.6976%0.76SS**  trans-69.7102.2165.2-72.1-51.9000109.1Q57Q57-D59 PolarHBondContact NE2-OD2 3.42Å; Q57-D59 PolarHBondContact O-N 3.03Å
60I27.9Very low26.5Very low143 Ų143132 Ų13273%0.73377%0.765SS**  trans-125.866170.8-49.1-177.7000109F58F58-I60 HydrophobicContact CD1-CD1 4.07Å; F58-I60 HydrophobicContact CD1-CG1 4.32Å; F58-I60 PolarHBondContact O-N 2.92Å; F58-I60 VanDerWaalsContact O-N 3.13Å
61I23.8Very low26.4Very low158 Ų158129.7 Ų129.781%0.8176%0.76SS**  trans-133.2146.1161.9-56.9-178.5000106.3
62S24.5Very low26.3Very low114 Ų114127 Ų12780%0.79776%0.759SS**  trans83.249.8176.3-48.40000118.1
63S25.5Very low26.2Very low119 Ų119124.7 Ų124.783%0.83276%0.756SS**SBendtrans-164.8121.9146.1-790000108.7
64S27.5Very low26.4Very low122 Ų122121.7 Ų121.785%0.85376%0.756SS**  cis-143.71495.8-55.80000110.5
65S23Very low26.4Very low116 Ų116120.6 Ų120.681%0.81175%0.754SS**  trans-145.7101.7-178.757.80000113.2
66S25.2Very low26.6Very low114 Ų114119.5 Ų119.580%0.79775%0.751SS**  trans-178.9160.2155.149.10000110.1
67S26.6Very low26.6Very low116 Ų116118.2 Ų118.281%0.81175%0.754SS**  trans63.5135.8-170.375.20000116
68S26.9Very low26.8Very low88 Ų88116.3 Ų116.362%0.61576%0.757SS**  cis-163.2161.4-18.942.20000110.1
69S26.6Very low26.9Very low119 Ų119113 Ų11383%0.83275%0.753SS**  trans69.5137.6159.9-50.90000119.1
70S25.4Very low27.2Very low101 Ų101112.2 Ų112.271%0.70675%0.753SS**  trans-93.6179.3178.154.60000112.6
71S27.2Very low27.4Very low103 Ų103111.6 Ų111.672%0.7275%0.751SS**  trans67146.8152.435.50000119.7
72S26.8Very low27.8Very low99 Ų99111 Ų11169%0.69275%0.75SS**  cis-170.3158.6-24.547.90000111.6
73S28.4Very low28.2Very low102 Ų102111.5 Ų111.571%0.71375%0.753SS**  trans46.3134.4139.164.30000122.7
74S29.4Very low28.4Very low125 Ų125113.6 Ų113.687%0.87475%0.754SS**  178.7173.2126.349.20000109.1
75S30.1Very low28.8Very low101 Ų101114.3 Ų114.371%0.70675%0.754SS**  cis-146.2179.412.882.30000110.5
76S29.8Very low29.1Very low91 Ų91115.2 Ų115.264%0.63675%0.749SS**  cis-164.8147.30.322.90000109.1
77S28.5Very low29.4Very low121 Ų121116.9 Ų116.985%0.84675%0.749SS**  trans52.5-168.3168.662.10000113.6
78S28.3Very low29.5Very low105 Ų105118.1 Ų118.173%0.73475%0.747SS**  cis-150173.73.269.60000108.9
79S30.6Very low29.6Very low86 Ų86120.7 Ų120.760%0.60175%0.753SS**  cis-153177.112.162.20000111.5
80T29.5Very low29.8Very low113 Ų113121 Ų12169%0.69375%0.751SS**  trans64.3139.9157.2490000117.1
81N32Very low29.8Very low130 Ų130126 Ų12670%0.69576%0.756SS**  cis-157.41548.9-105.7-13.9000113
82N32.4Very low29.8Very low145 Ų145127.3 Ų127.378%0.77576%0.759SS**  trans64.9130.5142.2-63.1-2.4000125.7
83S33.3Very low30Very low125 Ų125131.3 Ų131.387%0.87477%0.767SS**  trans97.6156.7135.8-143.30000121
84L29.1Very low30Very low163 Ų163131.1 Ų131.185%0.85376%0.764SS**  trans-146.6120.4-159.2-179.991.2000110.9
85V35.9Very low30Very low138 Ų138132.2 Ų132.284%0.83676%0.76SS**  trans-147.4140.6171.8-177.80000111.9
86N28.8Very low29.9Very low134 Ų134135.8 Ų135.872%0.71776%0.76SS**  trans-52.4148.8-179.7-45.6-16.7000116.1
87N32.7Very low29.9Very low149 Ų149136.6 Ų136.680%0.79776%0.761SS**  -179.3174.693.1-100.4-35.5000113.8
88N28.7Very low30.2Very low142 Ų142136 Ų13676%0.75975%0.748SS**  trans-86.5159.6-163.6-62.7-26.8000116.4
89N28.8Very low30.3Very low142 Ų142135.4 Ų135.476%0.75974%0.736SS**  trans85.4129.3148.4-70.8-7.5000121.5
90T29Very low30.4Very low126 Ų126140 Ų14077%0.77375%0.746SS**  trans73.8136.8151.252.70000120.3
91Y27Very low30.6Very low207 Ų207139.9 Ų139.981%0.81275%0.745SS**  trans65.2106.3172.5-74.7-79.5000118.8
92T27.5Very low30.6Very low129 Ų129137.4 Ų137.479%0.79173%0.731SS**  trans44.8101.7137.956.20000118.7
93E31.1Very low30.6Very low184 Ų184139.9 Ų139.986%0.8673%0.73SS**  -174.5128.4117.1-171.5152.4-139.200111.3
94C27.7Very low30.5Very low97 Ų97141.9 Ų141.966%0.65573%0.73SS**  trans28.384.1163.6-57.70000119.3Y96C94-Y96 HydrophobicContact CB-CE2 4.31Å; C94-Y96 WeakPolarHBondContact O-CD2 3.45Å
95D29Very low30.5Very low148 Ų148139.7 Ų139.779%0.79172%0.724SS**  trans-80.9128.8169.3-149.7-22.2000111.7T97D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.39Å; D95-T97 VanDerWaalsContact O-N 3.13Å
96Y27.1Very low30.2Very low176 Ų176140.3 Ų140.369%0.6972%0.717SS**  trans-90.938.3-159.1-99.4-95.9000114.9C94 L99C94-Y96 HydrophobicContact CB-CE2 4.31Å; C94-Y96 WeakPolarHBondContact O-CD2 3.45Å; Y96-L99 HydrophobicContact CD1-CD1 4.24Å; Y96-L99 HydrophobicContact CD1-CD2 4.15Å; Y96-L99 HydrophobicContact CE1-CD1 4.28Å; Y96-L99 HydrophobicContact CE1-CD2 4.35Å
97T31.2Very low30.3Very low109 Ų109142 Ų14267%0.66972%0.721SS**  trans-93.3-16.9-168.2460000116.3D95D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.39Å; D95-T97 VanDerWaalsContact O-N 3.13Å
98N33.8Very low30.3Very low107 Ų107141.6 Ų141.657%0.57272%0.717SS**SBendtrans-80.7-11.3173.4-83.741.8000114.4F100 V101 D102N98-F100 PolarHBondContact O-N 2.85Å; N98-V101 PolarHBondContact O-N 2.77Å; N98-D102 WeakPolarHBondContact CB-OD2 3.33Å; N98-D102 PolarHBondContact ND2-OD2 3.42Å
99L32Very low30.2Very low93 Ų93138.8 Ų138.849%0.48771%0.706SS.*THydrogen-bonded Turntrans-69.92.7-163.6-144.486.6000116.2Y96Y96-L99 HydrophobicContact CD1-CD1 4.24Å; Y96-L99 HydrophobicContact CD1-CD2 4.15Å; Y96-L99 HydrophobicContact CE1-CD1 4.28Å; Y96-L99 HydrophobicContact CE1-CD2 4.35Å
100F30.7Very low30.4Very low183 Ų183136.6 Ų136.680%0.80370%0.699SS**THydrogen-bonded Turntrans-129.61.1179.2-104.9-81.5000116.1N98N98-F100 PolarHBondContact O-N 2.85Å
101V34.6Very low30.4Very low111 Ų111136.7 Ų136.767%0.67370%0.695SS**THydrogen-bonded Turntrans-114.5-43176.1-179.10000111.8N98 R103 L104N98-V101 PolarHBondContact O-N 2.77Å; V101-R103 PolarHBondContact O-N 3.4Å; V101-R103 VanDerWaalsContact O-N 3.07Å; V101-L104 PolarHBondContact O-N 3.15Å
102D32.2Very low31Very low77 Ų77133.6 Ų133.641%0.41269%0.688SS.*G310 helixtrans-69.1-8.6177.9-66-39.4000113.6N98 L104 E106N98-D102 WeakPolarHBondContact CB-OD2 3.33Å; N98-D102 PolarHBondContact ND2-OD2 3.42Å; D102-L104 PolarHBondContact O-N 2.06Å; D102-E106 PolarHBondContact O-N 2.86Å
103R32.2Very low31.3Very low198 Ų198137.3 Ų137.375%0.74769%0.687SS**G310 helixtrans-742.8174.1-94.5-173.5173.4-164.8-0.2115.5V101V101-R103 PolarHBondContact O-N 3.4Å; V101-R103 VanDerWaalsContact O-N 3.07Å
104L31.9Very low31.8Very low166 Ų166135.2 Ų135.287%0.86968%0.675SS**G310 helixtrans-118.4-6.5176.7-87164.4000114.7V101 D102V101-L104 PolarHBondContact O-N 3.15Å; D102-L104 PolarHBondContact O-N 2.06Å
105T29.5Very low32.6Very low118 Ų118133 Ų13372%0.72466%0.66SS**THydrogen-bonded Turntrans-122.2-15.8-176.533.40000114.1
106E27.9Very low33.8Very low151 Ų151130.6 Ų130.671%0.70665%0.653SS**  trans-110.585.9176.8-163.4173.4-128.500113.1D102D102-E106 PolarHBondContact O-N 2.86Å
107Q31.1Very low35.1Very low170 Ų170129.6 Ų129.679%0.79465%0.653SS**  trans-137.769.4153.5-166.4158.1105.900111.1T109Q107-T109 PolarHBondContact O-N 3.4Å; Q107-T109 VanDerWaalsContact O-N 3.11Å
108I32.4Very low36.8Very low139 Ų139128.7 Ų128.771%0.71365%0.647SS**  trans-63.5106.7167.1-64.8171.6000108.3
109T28Very low38.5Very low84 Ų84127.8 Ų127.852%0.51565%0.645SS.*  trans67.8153.6176.475.20000114.2Q107 N111Q107-T109 PolarHBondContact O-N 3.4Å; Q107-T109 VanDerWaalsContact O-N 3.11Å; T109-N111 HydrophobicContact CG2-CB 4.38Å
110P32.1Very low40.7Very low96 Ų96128.2 Ų128.262%0.62365%0.647SS**  cis-88.9111.436.431.9-36000115.3
111N30Very low43.1Very low127 Ų127122.7 Ų122.768%0.67963%0.628SS**  trans-56140.5143.1-76.6-28.3000108.8T109 R113T109-N111 HydrophobicContact CG2-CB 4.38Å; N111-R113 VanDerWaalsContact C-N 3.35Å; N111-R113 PolarHBondContact O-N 2.86Å
112E38Very low45.3Very low142 Ų142121.1 Ų121.166%0.66462%0.619SS**  trans55.528.8148.8-60.4-111.211900118.8K114E112-K114 PolarHBondContact O-N 3.18Å; E112-K114 WeakPolarHBondContact OE1-CE 3.28Å; E112-K114 IonicContact OE1-NZ 3.42Å; E112-K114 PolarHBondContact OE1-NZ 3.46Å; E112-K114 IonicContact OE2-NZ 3.46Å; E112-K114 PolarHBondContact OE2-NZ 2.91Å
113R34.6Very low47.6Very low208 Ų208120.4 Ų120.479%0.78562%0.619SS**  trans-74.161.3151.8-76-168.3178172.13.3110.4N111 S115N111-R113 VanDerWaalsContact C-N 3.35Å; N111-R113 PolarHBondContact O-N 2.86Å; R113-S115 PolarHBondContact O-N 3.27Å
114K40.9Very low49.9Very low139 Ų139114.1 Ų114.160%0.60461%0.605SS**  trans-52101.9160.4-74.5168.61801450106.3E112E112-K114 PolarHBondContact O-N 3.18Å; E112-K114 WeakPolarHBondContact OE1-CE 3.28Å; E112-K114 IonicContact OE1-NZ 3.42Å; E112-K114 PolarHBondContact OE1-NZ 3.46Å; E112-K114 IonicContact OE2-NZ 3.46Å; E112-K114 PolarHBondContact OE2-NZ 2.91Å
115S45.3Very low52.4Low50 Ų50109.5 Ų109.535%0.3559%0.586SS.*  trans-63.3132.7-161.867.70000109.8R113 F117 V118 T119R113-S115 PolarHBondContact O-N 3.27Å; S115-F117 PolarHBondContact O-N 2.92Å; S115-V118 PolarHBondContact O-N 3.47Å; S115-V118 WeakPolarHBondContact OG-CG2 3.39Å; S115-V118 PolarHBondContact OG-N 3.16Å; S115-T119 PolarHBondContact O-N 3.47Å; S115-T119 PolarHBondContact O-OG1 2.83Å
116P53.9Low55.1Low98 Ų98109 Ų10964%0.63658%0.577SS**Hα-helixtrans-58.2-27.1-179.222.9-33.1000110.7T119 I120P116-T119 PolarHBondContact O-N 2.95Å; P116-I120 HydrophobicContact CB-CD1 4.45Å; P116-I120 VanDerWaalsContact O-CB 3.25Å; P116-I120 WeakPolarHBondContact O-CB 3.42Å; P116-I120 WeakPolarHBondContact O-CD1 3.45Å; P116-I120 WeakPolarHBondContact O-CG1 3.38Å; P116-I120 PolarHBondContact O-N 3.5Å
117F55.4Low58Low155 Ų155105.8 Ų105.868%0.6856%0.564SS**Hα-helixtrans-60.2-44.9173.1-156.5-90.1000113.6S115 I120 V121S115-F117 PolarHBondContact O-N 2.92Å; F117-I120 PolarHBondContact O-N 3.21Å; F117-V121 HydrophobicContact CD1-CG2 3.93Å; F117-V121 HydrophobicContact CE1-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 4.5Å; F117-V121 WeakPolarHBondContact O-CB 3.43Å; F117-V121 VanDerWaalsContact O-CG2 3.26Å; F117-V121 WeakPolarHBondContact O-CG2 3.32Å; F117-V121 PolarHBondContact O-N 3.44Å
118V66.8Low60.5Low90 Ų90101.4 Ų101.455%0.54555%0.55SS..Hα-helixtrans-66.4-42.41761700000110.5S115 I120 V121 V122S115-V118 PolarHBondContact O-N 3.47Å; S115-V118 WeakPolarHBondContact OG-CG2 3.39Å; S115-V118 PolarHBondContact OG-N 3.16Å; V118-I120 PolarHBondContact O-N 2.8Å; V118-V121 PolarHBondContact O-N 3.47Å; V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CB 3.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 2.91Å
119T69.9Low63.1Low89 Ų8998.6 Ų98.655%0.54654%0.539SS..Hα-helixtrans-63.2-40.3177.3-43.50000112S115 P116 C123S115-T119 PolarHBondContact O-N 3.47Å; S115-T119 PolarHBondContact O-OG1 2.83Å; P116-T119 PolarHBondContact O-N 2.95Å; T119-C123 VanDerWaalsContact O-CB 3.25Å; T119-C123 WeakPolarHBondContact O-CB 3.32Å; T119-C123 PolarHBondContact O-N 3.27Å
120I78.3Confident65.9Low102 Ų102100.5 Ų100.552%0.52354%0.54SS..Hα-helixtrans-67.4-44.6175.3-72.1163.2000110.8P116 F117 V118 C123 C124P116-I120 HydrophobicContact CB-CD1 4.45Å; P116-I120 VanDerWaalsContact O-CB 3.25Å; P116-I120 WeakPolarHBondContact O-CB 3.42Å; P116-I120 WeakPolarHBondContact O-CD1 3.45Å; P116-I120 WeakPolarHBondContact O-CG1 3.38Å; P116-I120 PolarHBondContact O-N 3.5Å; F117-I120 PolarHBondContact O-N 3.21Å; V118-I120 PolarHBondContact O-N 2.8Å; I120-C123 PolarHBondContact O-N 3.06Å; I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.89Å; I120-C124 PolarHBondContact O-SG 3.03Å; I120-C124 VanDerWaalsContact O-SG 3.35Å
121V79.4Confident68.4Low67 Ų67102.2 Ų102.241%0.40654%0.538SS..Hα-helixtrans-61.5-45.9176.7167.40000110.7F117 V118 C123 C124 C125F117-V121 HydrophobicContact CD1-CG2 3.93Å; F117-V121 HydrophobicContact CE1-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 4.5Å; F117-V121 WeakPolarHBondContact O-CB 3.43Å; F117-V121 VanDerWaalsContact O-CG2 3.26Å; F117-V121 WeakPolarHBondContact O-CG2 3.32Å; F117-V121 PolarHBondContact O-N 3.44Å; V118-V121 PolarHBondContact O-N 3.47Å; V121-C123 PolarHBondContact O-N 3.26Å; V121-C124 PolarHBondContact O-N 2.68Å; V121-C125 PolarHBondContact O-N 3.44Å; V121-C125 PolarHBondContact O-SG 3.06Å
122V80.9Confident71.2Confident77 Ų77100.8 Ų100.847%0.46753%0.53SS..Hα-helixtrans-61.9-42.4175.1170.70000111.2V118 C125 I126V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CB 3.45Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 2.91Å; V122-C125 PolarHBondContact O-N 2.98Å; V122-I126 HydrophobicContact CG1-CD1 3.83Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.07Å; V122-I126 PolarHBondContact O-N 3.37Å
123C80.5Confident73.5Confident62 Ų6298.6 Ų98.642%0.41952%0.522SS..Hα-helixtrans-61.4-45174.8-170.10000111.9T119 I120 V121 C125 I126 L127T119-C123 VanDerWaalsContact O-CB 3.25Å; T119-C123 WeakPolarHBondContact O-CB 3.32Å; T119-C123 PolarHBondContact O-N 3.27Å; I120-C123 PolarHBondContact O-N 3.06Å; V121-C123 PolarHBondContact O-N 3.26Å; C123-C125 VanDerWaalsContact C-N 3.34Å; C123-C125 PolarHBondContact O-N 2.79Å; C123-I126 PolarHBondContact O-N 3.47Å; C123-L127 WeakPolarHBondContact O-CB 3.33Å; C123-L127 WeakPolarHBondContact O-CG 3.18Å; C123-L127 PolarHBondContact O-N 2.8Å
124C81.6Confident76.1Confident67 Ų6790.7 Ų90.745%0.45350%0.497SS..Hα-helixtrans-62.1-37.9174.4-74.30000112.4I120 V121 T128I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.89Å; I120-C124 PolarHBondContact O-SG 3.03Å; I120-C124 VanDerWaalsContact O-SG 3.35Å; V121-C124 PolarHBondContact O-N 2.68Å; C124-T128 WeakPolarHBondContact O-CB 3.5Å; C124-T128 VanDerWaalsContact O-CG2 3.3Å; C124-T128 WeakPolarHBondContact O-CG2 3.39Å; C124-T128 PolarHBondContact O-N 2.8Å; C124-T128 PolarHBondContact O-OG1 3.42Å
125C83.6Confident78.1Confident69 Ų6988.8 Ų88.847%0.46649%0.493SS..Hα-helixtrans-65.5-40.3172.3-70.10000112.2V121 V122 C123 T128 T129V121-C125 PolarHBondContact O-N 3.44Å; V121-C125 PolarHBondContact O-SG 3.06Å; V122-C125 PolarHBondContact O-N 2.98Å; C123-C125 VanDerWaalsContact C-N 3.34Å; C123-C125 PolarHBondContact O-N 2.79Å; C125-T128 WeakPolarHBondContact CA-OG1 3.21Å; C125-T128 PolarHBondContact O-OG1 3.21Å; C125-T129 WeakPolarHBondContact O-CB 3.18Å; C125-T129 VanDerWaalsContact O-CG2 3.3Å; C125-T129 WeakPolarHBondContact O-CG2 3.18Å; C125-T129 PolarHBondContact O-N 2.84Å; C125-T129 PolarHBondContact O-OG1 2.83Å
126I87.2Confident79.9Confident106 Ų10693.9 Ų93.954%0.54451%0.509SS..Hα-helixtrans-66.7-44.8175.7-68.5164.8000110.7V122 C123 T129 F130V122-I126 HydrophobicContact CG1-CD1 3.83Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.07Å; V122-I126 PolarHBondContact O-N 3.37Å; C123-I126 PolarHBondContact O-N 3.47Å; I126-T129 PolarHBondContact O-OG1 3.37Å; I126-T129 VanDerWaalsContact O-OG1 3.06Å; I126-F130 VanDerWaalsContact O-CB 3.26Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å
127L87.7Confident81.4Confident84 Ų8494.2 Ų94.244%0.4451%0.505SS..Hα-helixtrans-65.2-46.3177.8-71.6170.5000111.8C123 F130 F131C123-L127 WeakPolarHBondContact O-CB 3.33Å; C123-L127 WeakPolarHBondContact O-CG 3.18Å; C123-L127 PolarHBondContact O-N 2.8Å; L127-F130 PolarHBondContact O-N 2.84Å; L127-F131 WeakPolarHBondContact O-CD2 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å
128T85.1Confident82.6Confident79 Ų7994.9 Ų94.949%0.48550%0.503SS..Hα-helixtrans-65.5-41.6177.949.50000112.2C124 C125 F130 F131 L132C124-T128 WeakPolarHBondContact O-CB 3.5Å; C124-T128 VanDerWaalsContact O-CG2 3.3Å; C124-T128 WeakPolarHBondContact O-CG2 3.39Å; C124-T128 PolarHBondContact O-N 2.8Å; C124-T128 PolarHBondContact O-OG1 3.42Å; C125-T128 WeakPolarHBondContact CA-OG1 3.21Å; C125-T128 PolarHBondContact O-OG1 3.21Å; T128-F130 VanDerWaalsContact C-N 3.34Å; T128-F130 PolarHBondContact O-N 2.93Å; T128-F131 PolarHBondContact O-N 3.13Å; T128-L132 WeakPolarHBondContact O-CB 3.24Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.39Å; T128-L132 PolarHBondContact O-N 3.12Å
129T85.4Confident83.2Confident79 Ų7993.8 Ų93.849%0.48550%0.499SS..Hα-helixtrans-65.7-35.4173.452.60000112.3C125 I126 L132 L133C125-T129 WeakPolarHBondContact O-CB 3.18Å; C125-T129 VanDerWaalsContact O-CG2 3.3Å; C125-T129 WeakPolarHBondContact O-CG2 3.18Å; C125-T129 PolarHBondContact O-N 2.84Å; C125-T129 PolarHBondContact O-OG1 2.83Å; I126-T129 PolarHBondContact O-OG1 3.37Å; I126-T129 VanDerWaalsContact O-OG1 3.06Å; T129-L132 PolarHBondContact O-N 3.26Å; T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 PolarHBondContact O-N 3.41Å
130F87.9Confident83.6Confident125 Ų12597.1 Ų97.155%0.54850%0.501SS..Hα-helixtrans-66.1-45.1172.6-172.2-97.6000112.4I126 L127 T128 L132 L133 V134I126-F130 VanDerWaalsContact O-CB 3.26Å; I126-F130 WeakPolarHBondContact O-CB 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å; L127-F130 PolarHBondContact O-N 2.84Å; T128-F130 VanDerWaalsContact C-N 3.34Å; T128-F130 PolarHBondContact O-N 2.93Å; F130-L132 PolarHBondContact O-N 3.22Å; F130-L133 PolarHBondContact O-N 3.11Å; F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.08Å; F130-V134 WeakPolarHBondContact O-CG2 3.18Å; F130-V134 PolarHBondContact O-N 3.36Å
131F84.2Confident83.5Confident132 Ų13294.5 Ų94.558%0.57949%0.492SS*.Hα-helixtrans-61.5-42.1174.4-79.6-61.4000112L127 T128 V134 L135L127-F131 WeakPolarHBondContact O-CD2 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å; T128-F131 PolarHBondContact O-N 3.13Å; F131-V134 PolarHBondContact O-N 3.15Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 VanDerWaalsContact O-CG 3.3Å; F131-L135 WeakPolarHBondContact O-CG 3.21Å; F131-L135 PolarHBondContact O-N 3.29Å
132L88.1Confident83.2Confident97 Ų9797 Ų9751%0.50850%0.498SS..Hα-helixtrans-62-41.7172.9-73.2171.2000111.6T128 T129 F130 L135 F136T128-L132 WeakPolarHBondContact O-CB 3.24Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.39Å; T128-L132 PolarHBondContact O-N 3.12Å; T129-L132 PolarHBondContact O-N 3.26Å; F130-L132 PolarHBondContact O-N 3.22Å; L132-L135 PolarHBondContact O-N 3.34Å; L132-F136 WeakPolarHBondContact O-CB 3.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.36Å; L132-F136 PolarHBondContact O-N 3.09Å
133L87.7Confident82.9Confident96 Ų9697.7 Ų97.750%0.50350%0.498SS..Hα-helixtrans-64.6-43176.6-169.9154.3000111.6T129 F130 F136 L137T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 PolarHBondContact O-N 3.41Å; F130-L133 PolarHBondContact O-N 3.11Å; L133-F136 PolarHBondContact O-N 3.03Å; L133-L137 HydrophobicContact CD2-CD1 3.62Å; L133-L137 HydrophobicContact CD2-CG 4.08Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.06Å
134V87.8Confident82.2Confident42 Ų42101.8 Ų101.826%0.25550%0.504SS..Hα-helixtrans-63.6-39.8174.11710000111.4F130 F131 L137 R138F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.08Å; F130-V134 WeakPolarHBondContact O-CG2 3.18Å; F130-V134 PolarHBondContact O-N 3.36Å; F131-V134 PolarHBondContact O-N 3.15Å; V134-L137 PolarHBondContact O-N 3.47Å; V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 WeakPolarHBondContact O-CG 3.41Å; V134-R138 PolarHBondContact O-N 2.74Å
135L84Confident81.4Confident98 Ų98104.4 Ų104.451%0.51351%0.505SS..Hα-helixtrans-63.8-44.5172.4-76.3166.4000111.5F131 L132 L137 R138 C139F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 VanDerWaalsContact O-CG 3.3Å; F131-L135 WeakPolarHBondContact O-CG 3.21Å; F131-L135 PolarHBondContact O-N 3.29Å; L132-L135 PolarHBondContact O-N 3.34Å; L135-L137 VanDerWaalsContact C-N 3.35Å; L135-L137 PolarHBondContact O-N 2.66Å; L135-R138 PolarHBondContact O-N 3.43Å; L135-C139 VanDerWaalsContact O-CB 3.29Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.84Å; L135-C139 VanDerWaalsContact O-SG 3.35Å
136F83.8Confident80.6Confident158 Ų158106.7 Ų106.769%0.69351%0.507SS*.Hα-helixtrans-62.2-39.1174.7-95.2-74.7000112.3L132 L133 R140L132-F136 WeakPolarHBondContact O-CB 3.49Å; L132-F136 WeakPolarHBondContact O-CD2 3.36Å; L132-F136 PolarHBondContact O-N 3.09Å; L133-F136 PolarHBondContact O-N 3.03Å; F136-R140 WeakPolarHBondContact O-CB 3.48Å; F136-R140 PolarHBondContact O-N 3.4Å
137L84.1Confident79.4Confident105 Ų105107 Ų10755%0.5551%0.506SS..Hα-helixtrans-67.1-43.5173.9-73178.6000112.1L133 V134 L135 R140 S141L133-L137 HydrophobicContact CD2-CD1 3.62Å; L133-L137 HydrophobicContact CD2-CG 4.08Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.06Å; V134-L137 PolarHBondContact O-N 3.47Å; L135-L137 VanDerWaalsContact C-N 3.35Å; L135-L137 PolarHBondContact O-N 2.66Å; L137-R140 PolarHBondContact O-N 3.43Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.45Å
138R80.5Confident78.2Confident168 Ų168108 Ų10863%0.63451%0.511SS*.Hα-helixtrans-62-44.2173.9-77.9179.9170.3-179.2-2.6111.3V134 L135 S141 F142V134-R138 WeakPolarHBondContact O-CB 3.41Å; V134-R138 WeakPolarHBondContact O-CG 3.41Å; V134-R138 PolarHBondContact O-N 2.74Å; L135-R138 PolarHBondContact O-N 3.43Å; R138-S141 PolarHBondContact O-N 2.86Å; R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.47Å
139C80Confident76.8Confident68 Ų68109.7 Ų109.746%0.45952%0.517SS..Hα-helixtrans-63.8-43.9174.3-75.30000112.3L135 S141 F142 I143L135-C139 VanDerWaalsContact O-CB 3.29Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 2.88Å; L135-C139 PolarHBondContact O-SG 2.84Å; L135-C139 VanDerWaalsContact O-SG 3.35Å; C139-S141 VanDerWaalsContact C-N 3.34Å; C139-S141 PolarHBondContact O-N 3.29Å; C139-F142 PolarHBondContact O-N 2.74Å; C139-I143 WeakPolarHBondContact O-CB 3.34Å; C139-I143 WeakPolarHBondContact O-CD1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.29Å; C139-I143 PolarHBondContact O-N 2.92Å
140R78.1Confident75.3Confident158 Ų158113.8 Ų113.860%0.59653%0.528SS*.Hα-helixtrans-64.6-37.2176.1-170.7174.8180116-7.9111.7F136 L137 R144F136-R140 WeakPolarHBondContact O-CB 3.48Å; F136-R140 PolarHBondContact O-N 3.4Å; L137-R140 PolarHBondContact O-N 3.43Å; R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 VanDerWaalsContact O-CG 3.32Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 3.17Å
141S75.1Confident73.6Confident48 Ų48117.4 Ų117.434%0.33654%0.538SS..Hα-helixtrans-65.5-46.4171.5-176.30000111.6L137 R138 C139 I143 R144 R145L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.45Å; R138-S141 PolarHBondContact O-N 2.86Å; C139-S141 VanDerWaalsContact C-N 3.34Å; C139-S141 PolarHBondContact O-N 3.29Å; S141-I143 PolarHBondContact O-N 3.36Å; S141-R144 PolarHBondContact O-N 3.35Å; S141-R145 WeakPolarHBondContact O-CB 3.43Å; S141-R145 WeakPolarHBondContact O-CG 3.41Å; S141-R145 PolarHBondContact O-N 2.79Å
142F73.2Confident71.9Confident119 Ų119121.5 Ų121.552%0.52255%0.549SS..Hα-helixtrans-63.7-38.4176.9-173.9-114000112.8R138 C139 R145 K146R138-F142 WeakPolarHBondContact O-CB 3.29Å; R138-F142 PolarHBondContact O-N 3.47Å; C139-F142 PolarHBondContact O-N 2.74Å; F142-R145 PolarHBondContact O-N 2.87Å; F142-K146 HydrophobicContact CD1-CD 4.33Å; F142-K146 HydrophobicContact CE1-CD 3.92Å; F142-K146 VanDerWaalsContact CE1-CE 3.44Å; F142-K146 HydrophobicContact CZ-CD 4.27Å; F142-K146 VanDerWaalsContact CZ-CE 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.19Å; F142-K146 PolarHBondContact O-N 3.49Å
143I75.5Confident69.7Low91 Ų91126.9 Ų126.947%0.46756%0.563SS.*Hα-helixtrans-65.1-45.2172.7-70.4163.6000110.3C139 S141 K146 Q147C139-I143 WeakPolarHBondContact O-CB 3.34Å; C139-I143 WeakPolarHBondContact O-CD1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.29Å; C139-I143 PolarHBondContact O-N 2.92Å; S141-I143 PolarHBondContact O-N 3.36Å; I143-K146 CarbonylContact O-C 2.89Å; I143-K146 PolarHBondContact O-N 3.24Å; I143-Q147 HydrophobicContact CG2-CG 4.45Å; I143-Q147 WeakPolarHBondContact O-CB 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.38Å; I143-Q147 PolarHBondContact O-N 3.48Å
144R65.3Low67.1Low148 Ų148128.2 Ų128.256%0.55857%0.571SS**Hα-helixtrans-60.3-46.3173.8-79.2174.6167.7-174.7-6.2111.9R140 S141 K146 Q147 L148R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 VanDerWaalsContact O-CG 3.32Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-R144 PolarHBondContact O-N 3.17Å; S141-R144 PolarHBondContact O-N 3.35Å; R144-K146 PolarHBondContact O-N 3.32Å; R144-Q147 PolarHBondContact O-N 2.98Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; R144-L148 WeakPolarHBondContact O-CG 3.26Å; R144-L148 PolarHBondContact O-N 2.85Å
145R65.8Low64.5Low122 Ų122131.9 Ų131.946%0.4660%0.595SS.*Hα-helixtrans-60.1-42.6174.1-73.6178.2173.1179.9-1.7111.4E49 S141 F142 L148 L149E49-R145 IonicContact OE1-CZ 3.43Å; E49-R145 IonicContact OE1-NE 2.74Å; E49-R145 PolarHBondContact OE1-NE 3.4Å; E49-R145 IonicContact OE1-NH2 3.47Å; E49-R145 PolarHBondContact OE1-NH2 3.46Å; E49-R145 IonicContact OE2-NH2 3.9Å; E49-R145 PolarHBondContact OE2-NH2 3.49Å; S141-R145 WeakPolarHBondContact O-CB 3.43Å; S141-R145 WeakPolarHBondContact O-CG 3.41Å; S141-R145 PolarHBondContact O-N 2.79Å; F142-R145 PolarHBondContact O-N 2.87Å; R145-L148 PolarHBondContact O-N 3.31Å; R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.38Å
146K65.2Low62.1Low117 Ų117135.9 Ų135.951%0.50961%0.608SS.*Hα-helixtrans-64.1-36.8172.2-87-174.6172.1177.60113.3F142 I143 R144 L149 K150F142-K146 HydrophobicContact CD1-CD 4.33Å; F142-K146 HydrophobicContact CE1-CD 3.92Å; F142-K146 VanDerWaalsContact CE1-CE 3.44Å; F142-K146 HydrophobicContact CZ-CD 4.27Å; F142-K146 VanDerWaalsContact CZ-CE 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.19Å; F142-K146 PolarHBondContact O-N 3.49Å; I143-K146 CarbonylContact O-C 2.89Å; I143-K146 PolarHBondContact O-N 3.24Å; R144-K146 PolarHBondContact O-N 3.32Å; K146-L149 PolarHBondContact O-N 2.85Å; K146-K150 WeakPolarHBondContact O-CG 3.27Å; K146-K150 PolarHBondContact O-N 3.27Å
147Q64Low59.4Low114 Ų114139.5 Ų139.553%0.53362%0.619SS.*Hα-helixtrans-69.5-39.5175.6-75.3173.8-9.400111.8I143 R144 K150 R151I143-Q147 HydrophobicContact CG2-CG 4.45Å; I143-Q147 WeakPolarHBondContact O-CB 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.38Å; I143-Q147 PolarHBondContact O-N 3.48Å; R144-Q147 PolarHBondContact O-N 2.98Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; Q147-K150 PolarHBondContact O-N 3.09Å; Q147-R151 PolarHBondContact O-N 2.99Å
148L60.9Low56.9Low105 Ų105142.1 Ų142.155%0.5563%0.633SS.*Hα-helixtrans-64-42.6172.3-71.6166.2000111.5R144 R145 K150 R151 R152R144-L148 WeakPolarHBondContact O-CG 3.26Å; R144-L148 PolarHBondContact O-N 2.85Å; R145-L148 PolarHBondContact O-N 3.31Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.18Å; L148-R151 PolarHBondContact O-N 2.87Å; L148-R152 PolarHBondContact O-N 3.29Å
149L56.3Low54.4Low114 Ų114144.9 Ų144.960%0.59765%0.645SS**Hα-helixtrans-63.6-34.3172.7-78.9161.9000112.9R145 K146R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.38Å; K146-L149 PolarHBondContact O-N 2.85Å
150K54.3Low51.8Low165 Ų165147.4 Ų147.472%0.71766%0.662SS**Hα-helixtrans-68.4-40.6169.7-79.4-172.7174.9-172.30112.1K146 Q147 L148 R152 R153K146-K150 WeakPolarHBondContact O-CG 3.27Å; K146-K150 PolarHBondContact O-N 3.27Å; Q147-K150 PolarHBondContact O-N 3.09Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.18Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.13Å; K150-R153 WeakPolarHBondContact O-CB 3.11Å; K150-R153 PolarHBondContact O-N 2.88Å
151R52Low49.5Very low201 Ų201144.1 Ų144.176%0.75866%0.663SS**Hα-helixtrans-63.6-34174.7-75.7-176.6174.2-174.6-2112.4Q147 L148 R153 N154Q147-R151 PolarHBondContact O-N 2.99Å; L148-R151 PolarHBondContact O-N 2.87Å; R151-R153 PolarHBondContact O-N 3.29Å; R151-N154 PolarHBondContact O-N 2.84Å
152R48.3Very low47.4Very low217 Ų217152.1 Ų152.182%0.81969%0.692SS**THydrogen-bonded Turntrans-70.9-0170.8-72.8-171.5178.5-1771.5114.8L148 K150L148-R152 PolarHBondContact O-N 3.29Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.13Å
153R41.5Very low45.3Very low210 Ų210155.7 Ų155.779%0.79270%0.703SS**THydrogen-bonded Turntrans-93.61.8171.7-78-172.1171.5-176.1-3.2114.8K150 R151 P155K150-R153 WeakPolarHBondContact O-CB 3.11Å; K150-R153 PolarHBondContact O-N 2.88Å; R151-R153 PolarHBondContact O-N 3.29Å; R153-P155 WeakPolarHBondContact O-CD 3.44Å
154N33.7Very low43.2Very low124 Ų124155.5 Ų155.566%0.66371%0.71SS**SBendtrans-85.1112.1158.8-74.9-23.7000108.2R151 K156R151-N154 PolarHBondContact O-N 2.84Å; N154-K156 PolarHBondContact O-N 3.45Å
155P33.5Very low41.5Very low119 Ų119158.3 Ų158.377%0.77373%0.726SS**  trans-76.770.2178.333.6-35.8000110.3R153 Y157R153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-Y157 PolarHBondContact O-N 3.26Å
156K32.1Very low39.9Very low182 Ų182157.7 Ų157.779%0.79174%0.741SS**  trans-67.9113.9163.9-77.1-161.6171.8-166.10107.9N154 L158N154-K156 PolarHBondContact O-N 3.45Å; K156-L158 PolarHBondContact O-N 2.79Å
157Y27.4Very low38.2Very low234 Ų234160.9 Ų160.992%0.91876%0.755SS**  trans-42.2119.1175.3-64.3-98.5000111P155P155-Y157 PolarHBondContact O-N 3.26Å
158L32.6Very low36.8Very low161 Ų161160.8 Ų160.884%0.84376%0.764SS**  trans-138.1107.7177.5-115.5163.1000108K156K156-L158 PolarHBondContact O-N 2.79Å
159Y26.8Very low35.2Very low225 Ų225162 Ų16288%0.88277%0.77SS**  trans-59.4144-178.8-109.7-114.7000111.4S161Y159-S161 PolarHBondContact O-N 3.23Å
160C26.2Very low34.1Very low122 Ų122162.3 Ų162.382%0.82477%0.772SS**  trans-73.5124.6177.2-61.70000111.7
161S29.4Very low32.9Very low88 Ų88161 Ų16162%0.61577%0.768SS**  trans-158.797.615853.60000114.5Y159Y159-S161 PolarHBondContact O-N 3.23Å
162K32Very low32Very low217 Ų217154.9 Ų154.994%0.94376%0.755SS**  -134.6112130-76.7-159.8175.5-177.90107.5
163Y29.5Very low30.8Very low193 Ų193155.6 Ų155.676%0.75776%0.76SS**  trans-86.4158.7-168.6-75.6-99.6000112.8
164S30.2Very low30.5Very low87 Ų87152.2 Ų152.261%0.60876%0.756SS**  trans-88.8135.4138.255.40000109.1S166S164-S166 PolarHBondContact O-N 2.86Å
165K29.6Very low30.2Very low207 Ų207156.2 Ų156.290%0.977%0.768SS**  trans-82112.1-165.2-64.1176.7-179.4176.80112.9
166S33.4Very low30.1Very low110 Ų110153.7 Ų153.777%0.76976%0.757SS**  trans-166.1141.614364.40000109.1S164S164-S166 PolarHBondContact O-N 2.86Å
167K29.5Very low30Very low184 Ų184152.6 Ų152.680%0.876%0.759SS**  cis-119.6157-5.3-60.1174.2-178.5179.10108.7I169K167-I169 PolarHBondContact O-N 3.47Å
168P34Very low30.1Very low112 Ų112148.8 Ų148.873%0.72776%0.755SS**  trans-62.1130.4159.628.7-32.8000108.8N170P168-N170 PolarHBondContact O-N 3.48Å
169I27.5Very low30Very low131 Ų131146 Ų14667%0.67275%0.749SS**  trans-80.7102.9165.9-56.9176000105.7K167 H171K167-I169 PolarHBondContact O-N 3.47Å; I169-H171 WeakPolarHBondContact CG2-NE2 3.41Å; I169-H171 PolarHBondContact O-N 3.35Å
170N31.8Very low30Very low119 Ų119140.5 Ų140.564%0.63674%0.742SS**  trans-69.186.6171.6-88.811.1000109.1P168 C172P168-N170 PolarHBondContact O-N 3.48Å; N170-C172 PolarHBondContact O-N 2.92Å
171H29Very low30.1Very low139 Ų139145.8 Ų145.864%0.64475%0.746SS**  trans-69.375.1160.8-71.2-80.7000108.7I169 Y173I169-H171 WeakPolarHBondContact CG2-NE2 3.41Å; I169-H171 PolarHBondContact O-N 3.35Å; H171-Y173 VanDerWaalsContact C-N 3.27Å; H171-Y173 PolarHBondContact O-N 3.2Å
172C33.1Very low30.1Very low72 Ų72151 Ų15149%0.48675%0.753SS.*  trans-67.690.8169.1-69.40000108.8N170 I174N170-C172 PolarHBondContact O-N 2.92Å; C172-I174 VanDerWaalsContact C-N 3.35Å; C172-I174 HydrophobicContact CB-CG1 4.3Å; C172-I174 PolarHBondContact O-N 3Å
173Y25Very low30Very low231 Ų231145.9 Ų145.991%0.90674%0.744SS**  trans-58.999.5158.4-111.5-89.7000107.8H171H171-Y173 VanDerWaalsContact C-N 3.27Å; H171-Y173 PolarHBondContact O-N 3.2Å
174I33.4Very low30.2Very low140 Ų140142.9 Ų142.972%0.71875%0.749SS**  trans-103.1118.1167.9-61.9179.9000106.2C172 A176C172-I174 VanDerWaalsContact C-N 3.35Å; C172-I174 HydrophobicContact CB-CG1 4.3Å; C172-I174 PolarHBondContact O-N 3Å; I174-A176 PolarHBondContact O-N 2.72Å
175K28.7Very low30.5Very low208 Ų208143.7 Ų143.790%0.90476%0.76SS**  trans-6299.2172.4-93.2-173.8170.5-176.60108.7N177K175-N177 PolarHBondContact O-N 2.84Å; K175-N177 VanDerWaalsContact O-N 3.16Å
176A30.2Very low30.9Very low66 Ų66142.9 Ų142.955%0.54576%0.757SS.*  trans-86.677.5178.300000111.3I174I174-A176 PolarHBondContact O-N 2.72Å
177N30.9Very low31Very low158 Ų158143.7 Ų143.785%0.84576%0.759SS**SBendtrans-80.7124.3138.9-7816.1000105.5K175K175-N177 PolarHBondContact O-N 2.84Å; K175-N177 VanDerWaalsContact O-N 3.16Å
178N30Very low31.3Very low155 Ų155140.9 Ų140.983%0.82975%0.747SS**SBendtrans67.877-175.3-58.2-5.4000116
179S30.4Very low31.3Very low102 Ų102143.8 Ų143.871%0.71375%0.75SS**  trans62.7114.3150.265.70000120.5
180C26.2Very low31.6Very low110 Ų110138.2 Ų138.274%0.74372%0.723SS**  -174.4156.199.2-93.70000113.2
181Y28.1Very low31.4Very low232 Ų232139.7 Ų139.791%0.9173%0.731SS**  trans-75.7151.4-178.2-79.9-106.6000113.1
182W29.9Very low31.4Very low198 Ų198135.6 Ų135.675%0.7572%0.718SS**  trans-90.8136.3163.1-8850.5000111.1
183S30.2Very low31Very low109 Ų109142.8 Ų142.876%0.76274%0.742SS**  trans-151.4145.8161.6-850000111A185S183-A185 PolarHBondContact O-N 3.37Å
184P34Very low31.1Very low131 Ų131136.4 Ų136.485%0.85173%0.731SS**  trans-84.8107.6-164.4-8.727.9000112.1K186P184-K186 PolarHBondContact O-N 3.5Å
185A35.7Very low30.8Very low103 Ų103135.7 Ų135.785%0.85173%0.733SS**  trans-69.5112.4178.200000112.1S183S183-A185 PolarHBondContact O-N 3.37Å
186K37.1Very low30.7Very low191 Ų191137.6 Ų137.683%0.8373%0.734SS**  trans-78.1136.1164.5-68.6-178.6179.5177.50109.6P184 K188P184-K186 PolarHBondContact O-N 3.5Å; K186-K188 PolarHBondContact O-N 2.91Å
187P37Very low30.6Very low126 Ų126138.3 Ų138.382%0.81874%0.735SS**  trans-67.2132.3171.628.8-33.3000110.2
188K35.7Very low30.4Very low125 Ų125138.1 Ų138.154%0.54373%0.729SS.*  trans-110.598.7175.6-73.3-166.2-65.5-178.40110.8K186 I703K186-K188 PolarHBondContact O-N 2.91Å; K188-I703 HydrophobicContact CD-CG2 4.41Å
189H32.9Very low30.5Very low173 Ų173136 Ų13680%0.80172%0.718SS**  trans-82.9147.8160-95.7-73.8000110.1P704H189-P704 WeakPolarHBondContact O-CB 3.38Å; H189-P704 WeakPolarHBondContact O-CG 3.23Å
190S34.3Very low30.5Very low15 Ų15137.9 Ų137.911%0.10572%0.715CS.*  trans-153.7159.2153.560.30000110.5Q702 I703S190-Q702 PolarHBondContact O-NE2 2.93Å; S190-Q702 PolarHBondContact O-OE1 2.9Å; S190-Q702 WeakPolarHBondContact OG-CB 3.29Å; S190-Q702 WeakPolarHBondContact OG-CG 3.41Å; S190-Q702 PolarHBondContact OG-OE1 2.88Å; S190-I703 WeakPolarHBondContact CB-O 3.3Å; S190-I703 VanDerWaalsContact OG-C 3.23Å; S190-I703 PolarHBondContact OG-N 2.91Å; S190-I703 PolarHBondContact OG-O 3.43Å
191N26.8Very low30.9Very low149 Ų149138.4 Ų138.480%0.79772%0.721SS**  trans-139.997.2137.1-81.1-32.4000106.1Q702N191-Q702 PolarHBondContact OD1-NE2 3.49Å
192S30.3Very low30.9Very low54 Ų54133 Ų13338%0.37871%0.706SS.*  trans-162.9135.916447.60000109.6
193F24.7Very low31Very low223 Ų223133.2 Ų133.298%0.97871%0.713SS**  trans-57.9146.4-172-78.2-106.6000113.3
194S26.3Very low30.9Very low97 Ų97137 Ų13768%0.67871%0.712SS**  trans-148.2-179168.663.40000110.9
195V27.4Very low30.8Very low124 Ų124138.1 Ų138.175%0.75271%0.705SS**  trans94.889178.7-171.20000115.9
196W25.6Very low30.6Very low249 Ų249140.7 Ų140.794%0.94370%0.7SS**  -109.9151.9109.4-81.221.5000106.3
197S28.9Very low30.2Very low81 Ų81138.9 Ų138.957%0.56670%0.699SS**  cis-161.4157-10.145.90000111.7
198E27.4Very low29.9Very low154 Ų154141.7 Ų141.772%0.7270%0.698SS**  trans72.5131.7142.6-81.8-174.5111.700126.1
199N31.5Very low29.8Very low109 Ų109143.3 Ų143.358%0.58371%0.708SS**  trans75.1140.2133.4-65.3-18.6000121.6
200Q31.5Very low29.6Very low142 Ų142145.2 Ų145.266%0.66471%0.708SS**  cis-168.1161.1-16.1-130.3176.564.900112.4L202Q200-L202 HydrophobicContact CG-CD1 4.16Å
201S32.8Very low29.3Very low122 Ų122151.4 Ų151.485%0.85374%0.738SS**  trans-172.9154.2132.844.70000110.9
202L28.3Very low29.3Very low117 Ų117148.7 Ų148.761%0.61373%0.731SS**  trans-121.8153.6-168.4-70.683.7000113.5Q200Q200-L202 HydrophobicContact CG-CD1 4.16Å
203K33.4Very low29.1Very low204 Ų204151.4 Ų151.489%0.88775%0.75SS**  -160.5161.4121.3-107.3163.9-175178.80113.1
204Y27.9Very low29.3Very low189 Ų189148.1 Ų148.174%0.74175%0.748SS**  trans-69.4166.2-166.3-74.4-114000113.3
205H31.7Very low29.4Very low153 Ų153148.4 Ų148.471%0.70875%0.75SS**  cis-148.9151.137.6-123.1-94.4000115.9
206Q30.2Very low29.5Very low157 Ų157147 Ų14773%0.73475%0.746SS**  trans2.5127.6160.4-64166.4-20.900121.1
207N29.8Very low29.8Very low154 Ų154142 Ų14282%0.82474%0.737SS**  -157.6171.596.5-134.9-42.6000113.5
208K31.2Very low29.9Very low184 Ų184144.3 Ų144.380%0.874%0.743SS**  trans-77.6131.9-163.8-59.9166.8-176.7171.80114.3
209H33.2Very low30Very low159 Ų159145.6 Ų145.674%0.73675%0.749SS**  -176.4125.7107.5-109.8-98.2000113.7
210R27.7Very low29.9Very low214 Ų214145.6 Ų145.681%0.80876%0.757SS**  trans36.1133.4134-86.9-165.1164.1174.4-3.7120.3
211I28.3Very low29.8Very low144 Ų144143.5 Ų143.574%0.73876%0.759SS**  cis-155.7153.9-3.3-14171.8000104.8
212S27.5Very low29.7Very low93 Ų93142.6 Ų142.665%0.6575%0.752SS**  cis-153155.122.3-56.70000114.1
213S27Very low29.9Very low110 Ų110145.6 Ų145.677%0.76977%0.765SS**  trans48.8100146.658.60000120.8
214T27.2Very low29.8Very low155 Ų155141.2 Ų141.295%0.95176%0.755SS**  trans-125.7175.1136.3520000109.1
215S29.1Very low30Very low103 Ų103139 Ų13972%0.7276%0.757SS**  trans-114.2169.8-152.458.60000116.8
216S30.3Very low30.1Very low95 Ų95136.7 Ų136.766%0.66476%0.757SS**  trans73.2127.9140.148.80000122.3
217L31.8Very low30.1Very low144 Ų144137.1 Ų137.175%0.75476%0.763SS**  trans75.298.3143.5-88.274.8000121.2
218N30.3Very low30.5Very low128 Ų128135 Ų13568%0.68476%0.757SS**  105.7135.1106.5-82.84.3000122
219Q30.1Very low30.6Very low182 Ų182134.8 Ų134.885%0.8576%0.759SS**  trans62.8125.7161.8-62.1168.315.300116.3
220S27.7Very low30.4Very low108 Ų108131.5 Ų131.576%0.75575%0.754SS**  cis-155.4153.7-13.453.30000106.3
221S30.2Very low30.6Very low99 Ų99132.7 Ų132.769%0.69276%0.759SS**  -171.9168.855.6-63.90000110.9
222S31.8Very low30.5Very low103 Ų103135.7 Ų135.772%0.7277%0.767SS**  trans46.8107152.659.70000121.4
223M30.9Very low30.7Very low179 Ų179141.9 Ų141.988%0.88278%0.777SS**  81.5120.2122.9-73.4-173.7154.700123.6
224V31.8Very low30.7Very low112 Ų112143.8 Ų143.868%0.67977%0.774SS**  87.4106.8123.8175.30000120.8
225N32.6Very low30.8Very low144 Ų144140.8 Ų140.877%0.7776%0.76SS**  trans77135140.4-660.4000125.2
226S33.8Very low31Very low103 Ų103144.1 Ų144.172%0.7276%0.761SS**  trans61.9126.8149.146.10000120.6
227I29.3Very low31Very low167 Ų167145.3 Ų145.386%0.85676%0.76SS**  cis86134.548.5-67.7174.1000111.9
228P38Very low30.8Very low108 Ų108148.1 Ų148.170%0.70176%0.762SS**  -129.2-151.6-125.246.1-33.9000116
229Q33.7Very low30.8Very low181 Ų181146.3 Ų146.385%0.84676%0.759SS**  trans100.1159.3173-56.2-179.628.400116.1
230S29.3Very low30.8Very low89 Ų89145.7 Ų145.762%0.62275%0.754SS**  cis-165.8162.2-43.574.70000113.3
231R31.2Very low30.9Very low240 Ų240146.3 Ų146.391%0.90675%0.749SS**  trans78.6145.5155-67178.9-174.8-166.72.4122.9
232F26.1Very low31.2Very low206 Ų206146.7 Ų146.790%0.90475%0.751SS**  trans-81.6160.1-171.3-76-112.8000116.6
233Y32.1Very low31.3Very low223 Ų223149.1 Ų149.188%0.87576%0.756SS**  trans-149178.2145.1-144.9-100.8000111.9
234Q28.1Very low31.3Very low151 Ų151145.7 Ų145.771%0.70675%0.748SS**  trans-161.4174.3-174.3-153.7-127.592.200115.3
235S28.4Very low31.3Very low92 Ų92147.3 Ų147.364%0.64375%0.752SS**  trans82.4147.5165.684.50000117.5
236K32.6Very low31.3Very low172 Ų172148.8 Ų148.875%0.74875%0.754SS**  cis-164.9152.8-7.5-121.3174.4-174.5175.10113
237N31Very low30.9Very low120 Ų120152 Ų15264%0.64276%0.757SS**  trans72.4111.8144.8-72.65.1000125
238Y28.2Very low31.2Very low204 Ų204149 Ų14980%0.875%0.748SS**  trans64.4154.7137.1-67.4-72.4000120.5
239S29.5Very low30.8Very low89 Ų89153.6 Ų153.662%0.62275%0.753SS**  cis-163.9162.918.1-135.50000115.4
240K31Very low30.4Very low170 Ų170152 Ų15274%0.73975%0.75SS**  trans67.3161.7151.1-67.2-175.4161.5-82.10120.4
241D30.1Very low30.4Very low121 Ų121153.6 Ų153.665%0.64776%0.762SS**  cis-167.2158.4-26.9-98.4-9.2000110.2
242S35.8Very low30.2Very low107 Ų107146.7 Ų146.775%0.74875%0.75SS**  trans170.1145.9149.132.80000110.1
243N33.7Very low30.3Very low153 Ų153143.9 Ų143.982%0.81875%0.745SS**  cis-145153.9-6.4-95.9-19.3000109.5
244C30.5Very low30.2Very low107 Ų107140.4 Ų140.472%0.72374%0.741SS**  cis-123.7-105.8-0-165.20000112.3
245I32.1Very low30.3Very low147 Ų147138.7 Ų138.775%0.75474%0.741SS**  cis-155.6177.5-0.6-157.1158.2000110.5
246H32.3Very low30.5Very low174 Ų174141 Ų14181%0.80674%0.744SS**  trans-72131.9-164.6-83.6-112.7000117.5
247H25.6Very low30.6Very low170 Ų170139.8 Ų139.879%0.78775%0.746SS**  trans-77.8-164.9161.2-50.4-95.3000111.5
248P36.6Very low30.6Very low105 Ų105141.1 Ų141.168%0.68275%0.753SS**  cis-140.3-177.4-9.622.84000117.3
249Y28.1Very low31.1Very low204 Ų204135.5 Ų135.580%0.874%0.744SS**  trans91.3121.6144.7-86.2-60.3000124.6
250N26.4Very low31.3Very low147 Ų147137.8 Ų137.879%0.78675%0.749SS**  trans98.5147.1130.1-96.1-7.7000124.1
251S28.4Very low31.5Very low124 Ų124134.9 Ų134.987%0.86774%0.742SS**  trans77.2168.5169.9-144.70000118.6
252S28.1Very low31.7Very low95 Ų95138.2 Ų138.266%0.66475%0.745SS**  trans-123.8162.1-158.653.40000115
253N27.9Very low31.5Very low146 Ų146139 Ų13978%0.78174%0.741SS**  trans73.5134.5169-62.2-12.9000119.1
254N30.8Very low31.3Very low150 Ų150140.2 Ų140.280%0.80274%0.74SS**  trans75.2117157.8-71.4-7.7000121.9
255V29.4Very low31.3Very low116 Ų116142.8 Ų142.870%0.70374%0.744SS**  9396.2122.91720000120.8
256I31.5Very low31.2Very low139 Ų139142.8 Ų142.871%0.71374%0.739SS**  88.1130.5126.7-69.5-176.2000122.6
257N34.6Very low31.1Very low148 Ų148143 Ų14379%0.79173%0.734SS**  trans66.1123.4165.7-66.2-19.5000118.5
258N32.1Very low31.3Very low147 Ų147141 Ų14179%0.78673%0.729SS**  cis-154-146.91.2-163-2.9000113
259S37.7Very low30.9Very low87 Ų87145 Ų14561%0.60873%0.732SS**  trans-167.7171.4-155.269.50000112
260N34.4Very low31.2Very low136 Ų136142.5 Ų142.573%0.72773%0.727SS**  cis-167.8172.9-11.6-120.1-9.5000112.9
261D36.4Very low31.5Very low110 Ų110142 Ų14259%0.58872%0.72SS**  trans65.4-179.3153.3-81.562.9000120.9
262R33.6Very low31.7Very low190 Ų190144.5 Ų144.572%0.71772%0.718SS**  -174.5172.1-66.5-118.3-179-65.9-112.9-3.9109.6
263N31.5Very low31.9Very low123 Ų123143.1 Ų143.166%0.65872%0.718SS**  cis-156.9-172.5-5.3-159.23000111.1
264F29.2Very low31.9Very low180 Ų180144.9 Ų144.979%0.78972%0.722SS**  trans-132.2164-171.1-64.9-72.8000113.7
265I30.7Very low31.8Very low160 Ų160144.4 Ų144.482%0.82172%0.718SS**  cis-153.9-108.2-17.4-174.9161.8000113.4
266K29.4Very low31.9Very low148 Ų148145 Ų14564%0.64373%0.726SS**  trans-165.3158.9-162.6-159.3-179.2-178.6-163.10112.9
267Y30.7Very low31.9Very low179 Ų179142.2 Ų142.270%0.70273%0.731SS**  trans92.2-162.5161.4-68.2-57.1000123.5
268N29.4Very low31.6Very low127 Ų127142.5 Ų142.568%0.67974%0.739SS**  -143.8146.6-120.4-101.6-8.4000120.3
269Y29.5Very low31.4Very low190 Ų190139.1 Ų139.175%0.74574%0.738SS**  trans69.3142.2140.5-94.5-85.7000128.7
270H33.3Very low31Very low151 Ų151142.6 Ų142.670%0.69975%0.75SS**  trans65.5153.4157.6-74.2-60.5000121.2
271Q32.4Very low30.9Very low137 Ų137144.4 Ų144.464%0.6475%0.754SS**  cis-170.2157.3-25.5-166.9176.4-33.100111.3
272H33.4Very low30.6Very low175 Ų175146.3 Ų146.381%0.8176%0.761SS**  trans66.6151.8178.7-64.4-93.3000116.5
273G31.3Very low30.5Very low66 Ų66143.7 Ų143.768%0.6876%0.761SS**  cis170.7144.8-11.700000113.7
274E29.4Very low30.4Very low183 Ų183143.9 Ų143.986%0.85577%0.767SS**  trans66.8152.9171.6-74.3171.3-147.300118
275I28.2Very low30.2Very low141 Ų141138.5 Ų138.572%0.72376%0.762SS**  cis-151.9169.511.2-131.5158.5000112.5
276C31.4Very low30.1Very low129 Ų129141.4 Ų141.487%0.87276%0.764SS**  trans75.9139.7161.7-96.90000123.6
277G31.2Very low30.1Very low79 Ų79140.2 Ų140.281%0.81476%0.764SS**  trans115.8103.514000000118.9
278T27.8Very low29.9Very low155 Ų155138.7 Ų138.795%0.95176%0.764SS**  trans-107.6141.5168.945.10000112.4
279G29.2Very low29.9Very low76 Ų76139.9 Ų139.978%0.78477%0.765SS**  trans-172.4129.3173.600000111.9
280N28.1Very low29.8Very low159 Ų159135.7 Ų135.785%0.8576%0.762SS**  trans-98.8153.1-170.2-64.2-38.8000113
281H32Very low29.7Very low175 Ų175137.6 Ų137.681%0.8177%0.769SS**  trans-154.3107.2145.1-126.1-91.6000112.6
282M31.5Very low29.4Very low150 Ų150141.5 Ų141.574%0.73978%0.777SS**  trans52.6145.4153.9-51.6-53.9-164.300120.3
283N30.1Very low29.2Very low135 Ų135139.4 Ų139.472%0.72277%0.771SS**  cis-149.616610.4-146.4-2000113.5
284T30.5Very low29.2Very low126 Ų126142.2 Ų142.277%0.77377%0.77SS**  trans-59.4163159.951.20000111.1
285G25Very low29.3Very low67 Ų67139.7 Ų139.769%0.69176%0.762SS**  cis144.4-179.614.500000108.8
286Y28.5Very low29.5Very low222 Ų222138 Ų13887%0.87176%0.759SS**  trans69.9107.7174.7-87.6-105000120.2
287L28.6Very low29.4Very low122 Ų122140.5 Ų140.564%0.63976%0.755SS**  74.1128.1110.8-15670.5000122.4
288E27.7Very low29.3Very low147 Ų147141.5 Ų141.569%0.68775%0.749SS**  trans65155.6156.3-80.7159.7-169.200119.5
289H29.6Very low29.4Very low152 Ų152140 Ų14070%0.70474%0.74SS**  cis-146.5136.69-138.7-44.9000113.5
290C25.8Very low29.2Very low103 Ų103144.3 Ų144.370%0.69674%0.742SS**  trans11.9128.8158.6-61.60000123.3
291K31.6Very low28.9Very low191 Ų191143.4 Ų143.483%0.8374%0.735SS**  -176.2122.6104.4-100.7163.2-174.8168.50117.3
292R27.6Very low28.7Very low219 Ų219145 Ų14583%0.82674%0.735SS**  trans63.7123.1133.6-77.2-174.7176.7-173.8-0.3124
293I29.1Very low28.9Very low130 Ų130142.7 Ų142.767%0.66773%0.731SS**  101.898.1128.7-70.5169.7000120.2
294N30.4Very low28.6Very low125 Ų125143.8 Ų143.867%0.66874%0.735SS**  trans80117.5130.3-6514.2000124.6
295N31.2Very low28.5Very low130 Ų130143 Ų14370%0.69574%0.735SS**  84.5123129.9-62.54.4000119.9
296T32Very low28.8Very low105 Ų105148.7 Ų148.764%0.64474%0.743SS**  cis95.1145.328.770.10000114
297K30.9Very low28.6Very low182 Ų182149.5 Ų149.579%0.79175%0.745SS**  cis-173.1165.1-5.5-116.4176.5179.6-179.90111.8
298S28.4Very low28.8Very low100 Ų100149.1 Ų149.170%0.69975%0.75SS**  trans70.7171.3137.5-74.30000123.3
299T29.2Very low28.9Very low124 Ų124148 Ų14876%0.76176%0.758SS**  cis-178176.8-38-81.90000109.4
300M24.9Very low28.8Very low166 Ų166149.4 Ų149.482%0.81876%0.762SS**  trans-62.6158.1-178.4-49175-171.600118.4
301M23.6Very low28.9Very low141 Ų141152.8 Ų152.870%0.69577%0.768SS**  trans47.2147138.2-69.2-168.687.400125.1
302Y26.3Very low28.7Very low207 Ų207148.7 Ų148.781%0.81276%0.764SS**  trans74.9157.6155.9-76.2-46.9000119.2
303P36.4Very low28.7Very low102 Ų102145.6 Ų145.666%0.66276%0.763SS**  trans-136.7-170.1-143.935.5-11.3000116.4
304I24.3Very low29Very low158 Ų158144.5 Ų144.581%0.8177%0.765SS**  trans87.3138.8164.6-53174.1000116.8
305S27.8Very low28.8Very low109 Ų109146.5 Ų146.576%0.76278%0.775SS**  trans75.9128.8175.6-126.60000115.1
306Q31.2Very low28.7Very low187 Ų187144.4 Ų144.487%0.87478%0.775SS**  cis-135.3-176.322-69.3178.3-5.700114.1
307R25.3Very low28.6Very low240 Ų240147.5 Ų147.591%0.90679%0.786SS**  trans-87.9176.5-176.6-77.2174.4171.2170.1-4.5113
308P32.9Very low28.6Very low114 Ų114141.9 Ų141.974%0.7478%0.78SS**  cis-138.3-167.2-37.338.9-20.7000113.8
309S28.2Very low28.8Very low124 Ų124143.8 Ų143.887%0.86778%0.782SS**  trans91.8179.7162.983.40000118.8
310K29Very low29.2Very low180 Ų180143.1 Ų143.178%0.78377%0.77SS**  trans-108.5149.1-141.5-60.1178.6178.9178.10116
311Q26.7Very low29.9Very low174 Ų174138.5 Ų138.581%0.81375%0.753SS**  trans61.9151.2153.6-71.4160.6-72.500117.2
312S28.1Very low30.4Very low106 Ų106137.1 Ų137.174%0.74175%0.747SS**  cis-159.6170.5-16.551.80000110.9
313N26.5Very low30.6Very low153 Ų153131.1 Ų131.182%0.81873%0.725SS**  trans-17.4163.7167.9-63.7-13.6000120.7
314P36.1Very low30.5Very low108 Ų108133.2 Ų133.270%0.70172%0.724SS**  cis-145.5-177.2-35.141.1-23000115.6
315L26.3Very low30.8Very low167 Ų167128.4 Ų128.487%0.87470%0.7SS**  trans78.7138.2147.3-94.3160.8000123.8
316A28.6Very low31.1Very low86 Ų86128.4 Ų128.471%0.71170%0.7SS**  trans100.7173.6141.100000121.8
317I29.9Very low31.2Very low169 Ų169125.8 Ų125.887%0.86769%0.688SS**  trans89.9126.5-175.6-55.2167.5000114.1
318G30.9Very low31.5Very low64 Ų64122.3 Ų122.366%0.6668%0.68SS**  cis-175.4-179.5-100000109.3
319N32.8Very low31.6Very low140 Ų140121 Ų12175%0.74967%0.665SS**  cis-146.1-171.43.5-65.1-64.9000107.1
320Q38Very low31.8Very low110 Ų110118.9 Ų118.951%0.51465%0.647SS.*  cis68.3153.123.2-76.4-61.4-2.200114.8L743 D744Q320-L743 VanDerWaalsContact OE1-CD1 3.25Å; Q320-D744 WeakPolarHBondContact CG-OD1 3.3Å; Q320-D744 PolarHBondContact NE2-OD1 3.28Å; Q320-D744 PolarHBondContact OE1-OD1 3.2Å; Q320-D744 VanDerWaalsContact OE1-OD1 3.07Å
321P39.7Very low31.9Very low70 Ų70113.3 Ų113.346%0.45563%0.626SS.*  cis-158.4-178.946.745.5-23.4000122.5L743 D744P321-L743 VanDerWaalsContact C-CD2 3.43Å; P321-L743 WeakPolarHBondContact O-CD2 3.38Å; P321-D744 WeakPolarHBondContact CA-OD2 3.36Å; P321-D744 WeakPolarHBondContact CB-OD2 3.46Å
322I33.3Very low32.2Very low112 Ų112110.5 Ų110.557%0.57461%0.613SS**  trans115.173.2151.2-67.4159.4000121.9D744I322-D744 PolarHBondContact N-OD2 3.28Å
323F31.3Very low32.5Very low80 Ų80111.8 Ų111.835%0.35161%0.612SS.*  trans54137.3140.2-58.9-76.8000122.6E742 L743 D744 R745F323-E742 CarbonylContact C-O 3.22Å; F323-E742 CarbonylContact O-C 3.59Å; F323-E742 VanDerWaalsContact O-O 3.08Å; F323-L743 PolarHBondContact O-N 2.91Å; F323-D744 WeakPolarHBondContact CA-O 3.47Å; F323-D744 HydrophobicContact CD1-CB 3.76Å; F323-D744 WeakPolarHBondContact CD1-O 3.24Å; F323-D744 HydrophobicContact CD2-CB 4.24Å; F323-D744 HydrophobicContact CE1-CB 3.84Å; F323-D744 HydrophobicContact CE2-CB 4.27Å; F323-D744 HydrophobicContact CG-CB 3.98Å; F323-D744 HydrophobicContact CZ-CB 4.08Å; F323-D744 VanDerWaalsContact N-N 3.16Å; F323-R745 HydrophobicContact CE1-CB 3.73Å; F323-R745 HydrophobicContact CZ-CB 4.1Å
324F32.7Very low32.6Very low146 Ų146112 Ų11264%0.6461%0.608SS**  cis-136.216314.3-96.7-48.6000114.6E742 L743 D744F324-E742 PolarHBondContact N-O 3.43Å; F324-L743 CarbonylContact C-O 3.4Å; F324-L743 VanDerWaalsContact CA-O 3.3Å; F324-L743 WeakPolarHBondContact CA-O 3.31Å; F324-L743 PolarHBondContact O-N 3.06Å; F324-D744 VanDerWaalsContact CA-O 3.28Å; F324-D744 WeakPolarHBondContact CA-O 3.36Å
325N31.5Very low32.5Very low58 Ų58114.2 Ų114.231%0.3161%0.612SS.*  cis-136-72.7-7.7179.9-87.5000115.6Q327 L743 D744 R745N325-Q327 WeakPolarHBondContact OD1-CG 3.23Å; N325-Q327 PolarHBondContact OD1-N 3.24Å; N325-L743 PolarHBondContact N-O 2.66Å; N325-D744 VanDerWaalsContact CA-O 3.27Å; N325-D744 WeakPolarHBondContact CA-O 3.3Å; N325-D744 CarbonylContact O-C 3.28Å; N325-D744 VanDerWaalsContact O-C 3.22Å; N325-R745 PolarHBondContact O-N 2.79Å
326S33.2Very low32.9Very low108 Ų108111.9 Ų111.976%0.75561%0.605SS**  cis-138.425.8-7.2-61.10000114.4
327Q33.9Very low33Very low133 Ų133114.7 Ų114.762%0.62161%0.608SS**  trans75.8125.1160.9-53-161.719.700124.3N325N325-Q327 WeakPolarHBondContact OD1-CG 3.23Å; N325-Q327 PolarHBondContact OD1-N 3.24Å
328K31.7Very low33Very low167 Ų167111 Ų11173%0.72660%0.597SS**  trans73.2145.5139-72.2170.2178.5158.50120
329I34.1Very low33Very low86 Ų86116.7 Ų116.744%0.44161%0.606SS.*  cis-174117.9-5.4177.5170.9000113.8P749 R750I329-P749 WeakPolarHBondContact CD1-O 3.1Å; I329-P749 HydrophobicContact CG1-CB 3.82Å; I329-R750 HydrophobicContact CD1-CB 4.25Å; I329-R750 HydrophobicContact CD1-CG 4.45Å; I329-R750 HydrophobicContact CG1-CB 4.19Å
330T34.4Very low32.8Very low79 Ų79116.1 Ų116.149%0.48561%0.608SS.*  trans-168.1136.5164.3-19.10000116.9K748 P749T330-K748 WeakPolarHBondContact O-CE 3.3Å; T330-K748 PolarHBondContact O-NZ 3.15Å; T330-P749 VanDerWaalsContact C-CB 3.47Å; T330-P749 VanDerWaalsContact O-CG 3.24Å; T330-P749 WeakPolarHBondContact O-CG 3.41Å
331N29Very low32.8Very low63 Ų63116.2 Ų116.234%0.33762%0.618SS.*  trans-152.8179.7170-102.311.3000111.6K748 P749N331-K748 WeakPolarHBondContact OD1-CD 3.34Å; N331-K748 PolarHBondContact OD1-NZ 3.18Å; N331-P749 HydrophobicContact CB-CB 3.9Å; N331-P749 HydrophobicContact CB-CG 3.28Å; N331-P749 VanDerWaalsContact CG-CD 3.41Å; N331-P749 VanDerWaalsContact ND2-CD 3.3Å; N331-P749 WeakPolarHBondContact ND2-CD 3.34Å
332E34.5Very low32.3Very low116 Ų116118.8 Ų118.854%0.54263%0.633SS.*  trans82.2119.4149.6-78.7121.8-128.200113.8
333N33.1Very low32.2Very low133 Ų133118.8 Ų118.871%0.71164%0.638SS**  70.4136.467.9-71.648.5000110.1
334E30.2Very low32.2Very low157 Ų157122 Ų12273%0.73465%0.654SS**  cis-161152.45.1-139.8158.7134.800107.2
335I33.3Very low32.1Very low155 Ų155122.7 Ų122.780%0.79566%0.657SS**  161.1161.9106.4-94.5142.1000110.2
336T34.6Very low32.1Very low117 Ų117125.1 Ų125.172%0.71868%0.675SS**  trans-53.2162.8-16460.60000122.5
337D30.2Very low31.9Very low146 Ų146128.6 Ų128.678%0.78168%0.679SS**  trans-29.1164134-57.6-64.2000115.5
338S31Very low31.6Very low92 Ų92126.7 Ų126.764%0.64368%0.68SS**  cis-169.6165.9-3.9420000110.2
339E29.9Very low31.5Very low182 Ų182123.4 Ų123.485%0.8568%0.678SS**  trans66.2151.4165.1-64.7170.3-169.700116.3
340T29.5Very low31.3Very low129 Ų129128.3 Ų128.379%0.79170%0.697SS**  cis-133.5169.914.230.60000113.2
341P37.1Very low31Very low111 Ų111129.4 Ų129.472%0.72171%0.707SS**  trans-110.7170.9-174.841.5-34.5000115.1
342T29.7Very low31.1Very low124 Ų124134.2 Ų134.276%0.76173%0.727SS**  trans179.8143.8133.530.80000113
343T31.5Very low31Very low112 Ų112137.7 Ų137.769%0.68774%0.741SS**  trans58.8144.7148.455.10000120
344E30.7Very low30.8Very low147 Ų147135.8 Ų135.869%0.68774%0.738SS**  cis-164.7170.35.7-126162.5-154.400114.4
345F30.7Very low30.7Very low162 Ų162136.4 Ų136.471%0.71174%0.744SS**  trans60102154.9-71.1-58.9000124.8
346T32.2Very low30.6Very low109 Ų109134.1 Ų134.167%0.66974%0.742SS**  50132.9122.751.60000124.8
347E28.8Very low30.4Very low180 Ų180136.4 Ų136.484%0.84175%0.745SS**  51.4148.5130-63.2-164.3135.200122.9
348S27.8Very low30.3Very low93 Ų93136.1 Ų136.165%0.6574%0.741SS**  cis-165.8160.9-15.459.30000112.9
349S29.7Very low30.2Very low99 Ų99137.4 Ų137.469%0.69274%0.741SS**  trans79.6138.5146.689.20000123.2
350K28.9Very low30.2Very low189 Ų189133.7 Ų133.782%0.82273%0.731SS**  trans64.3104.7139.7-70.9171.5-179.2172.90122.9
351S28Very low29.9Very low101 Ų101133.3 Ų133.371%0.70672%0.716SS**  100.8160.4111.183.10000121.8
352H32.5Very low29.4Very low165 Ų165135.3 Ų135.376%0.76471%0.709SS**  trans42.2104171.4-65.5-83.7000119.3
353K31.2Very low29.3Very low189 Ų189135.1 Ų135.182%0.82270%0.697SS**  69100.382.1-88.8-166.9172.6-178.70116.6
354S29.3Very low29.3Very low93 Ų93132.6 Ų132.665%0.6569%0.694SS**  trans68.9117.9130.262.90000121.9
355I28.7Very low29.1Very low170 Ų170137 Ų13787%0.87270%0.704SS**  trans72128.5136.1-61.2168000114.8
356S31.1Very low29Very low106 Ų106135 Ų13574%0.74171%0.71SS**  cis-134.2177.729600000116.1
357Q30.2Very low28.6Very low166 Ų166137.9 Ų137.978%0.77672%0.721SS**  trans-49.6172.2150.1-62.4164.7-40.400110.5
358I28.6Very low28.5Very low139 Ų139134.3 Ų134.371%0.71372%0.716SS**  cis-151.3-167.134.3-10.3176.2000107.4
359N28.2Very low28.8Very low120 Ų120135.3 Ų135.364%0.64272%0.72SS**  cis-168.5-156.931.2-142.9-22.4000111.2
360V28.7Very low28.7Very low104 Ų104134.4 Ų134.463%0.6372%0.718SS**SBendtrans-46.7131.8151.51750000111.1
361Y23.6Very low28.8Very low120 Ų120132.6 Ų132.647%0.47172%0.718SS.*  trans71.8155.2-172.3-61.1-76.4000117.3Q781 H782Y361-Q781 VanDerWaalsContact CD1-CA 3.41Å; Y361-Q781 WeakPolarHBondContact CE1-O 3.45Å; Y361-H782 AromaticContact CD2-CE1 3.89Å; Y361-H782 AromaticContact CD2-ND1 3.36Å; Y361-H782 WeakPolarHBondContact CD2-ND1 3.39Å
362R26.4Very low29Very low154 Ų154134.9 Ų134.958%0.58172%0.721SS**  170.7-9.1-60.4-176.3168165.1177.5-9.9111.4F778 S779 V780R362-F778 VanDerWaalsContact NE-C 3.32Å; R362-F778 PolarHBondContact NE-O 2.7Å; R362-F778 PolarHBondContact NH2-O 3.03Å; R362-S779 VanDerWaalsContact CD-O 3.23Å; R362-S779 WeakPolarHBondContact CD-O 3.47Å; R362-S779 WeakPolarHBondContact CG-O 3.49Å; R362-S779 VanDerWaalsContact CZ-O 3.3Å; R362-S779 PolarHBondContact NE-O 3.49Å; R362-S779 PolarHBondContact NH2-O 3.37Å; R362-S779 PolarHBondContact O-N 3.37Å; R362-V780 CarbonylContact C-O 3.58Å
363K29.2Very low29Very low119 Ų119132.7 Ų132.752%0.51772%0.719SS.*  trans-149.4175.4159.6-112.9177.5175.6158.50108.6S779 V780K363-S779 VanDerWaalsContact CE-OG 3.24Å; K363-S779 WeakPolarHBondContact CE-OG 3.34Å; K363-S779 PolarHBondContact NZ-OG 2.87Å; K363-V780 HydrophobicContact CD-CG1 4.42Å; K363-V780 PolarHBondContact N-O 2.9Å
364G31.7Very low29Very low60 Ų60130.1 Ų130.162%0.61971%0.714SS**  cis-178.8-157.10.400000111.5
365R24.9Very low29.2Very low238 Ų238130 Ų13090%0.89871%0.713SS**SBendtrans-89.2152.7155-82.1-177.7175.2155.8-2.7109.5
366S29.4Very low29.4Very low120 Ų120129.8 Ų129.884%0.83971%0.706SS**  trans58.7124.3160.445.60000118.8
367L24.4Very low29.4Very low170 Ų170131.7 Ų131.789%0.8970%0.703SS**  trans-69177.6163.9-69160000112.1
368S25.7Very low29.4Very low106 Ų106127.4 Ų127.474%0.74169%0.692SS**  trans84.4151.4165-156.30000116.1
369P33.4Very low29.5Very low114 Ų114129.2 Ų129.274%0.7469%0.694SS**  cis-92.6159-11.60.422.6000112
370A29.3Very low29.3Very low79 Ų79132.5 Ų132.565%0.65370%0.703SS**  cis74145.846.200000112.4
371D30.3Very low29.3Very low151 Ų151134.3 Ų134.381%0.80771%0.709SS**  cis-148.4-171.622.5-113.1-54000113.3
372I31.9Very low29.4Very low150 Ų150137.5 Ų137.577%0.76973%0.725SS**  trans82.3114.3169.4-50.9170.7000114.3
373T33.6Very low29.6Very low118 Ų118135.5 Ų135.572%0.72474%0.735SS**  cis-151.8164.9-7.618.30000107.2
374N31Very low29.7Very low136 Ų136135.4 Ų135.473%0.72775%0.746SS**  cis-150.51579.1-140.3-15.2000111
375S33.3Very low29.7Very low89 Ų89142.5 Ų142.562%0.62276%0.76SS**  trans29142143.866.90000122.2
376K32.4Very low29.9Very low167 Ų167136 Ų13673%0.72675%0.748SS**  cis-179.6155.8-3.9-118171.5163.8-128.60107.6
377E32.3Very low29.8Very low146 Ų146140.2 Ų140.268%0.68275%0.746SS**  trans59.2-178.5148.1-70.3166.3-14200117.3
378S28.8Very low29.8Very low76 Ų76140.6 Ų140.653%0.53174%0.741SS.*  -157.2174.6-59.767.10000109.8
379K30.5Very low29.8Very low176 Ų176139.8 Ų139.877%0.76574%0.735SS**  trans65125.7152.8-70.5166.4-171.6165.80119.2
380F25Very low29.6Very low189 Ų189142 Ų14283%0.82974%0.74SS**  40.4152.3119.7-78.9-88.1000122.8
381L27.5Very low29.5Very low143 Ų143141.8 Ų141.875%0.74974%0.738SS**  trans95.5106.3156.8-65.4129.9000118
382F26.8Very low29.5Very low187 Ų187142.7 Ų142.782%0.8274%0.738SS**  41.6127.6123.1-74.9-91.6000120.5
383S30.3Very low29.3Very low112 Ų112139.9 Ų139.978%0.78373%0.731SS**  trans-6.4135.8144.8-46.20000116.9
384P30.3Very low29.3Very low116 Ų116140.2 Ų140.275%0.75373%0.729SS**  -143.214895.636.7-23.5000116.4
385K32.1Very low29.4Very low209 Ų209140.7 Ų140.791%0.90973%0.727SS**  trans-84.2135.2136.9-70.8-179.1176.7179.90105.8
386P30.5Very low29.5Very low101 Ų101143 Ų14366%0.65673%0.729SS**  -146.2143.186.241.9-25.7000113.9
387R25.6Very low29.4Very low210 Ų210141 Ų14179%0.79273%0.726SS**  71127.2101.8-68.5-178.7157.4175-5117.9
388F26.2Very low29.5Very low178 Ų178140.8 Ų140.878%0.78173%0.73SS**  trans66.9150.6146.1-61.2-41.5000118.2
389S25.7Very low29.5Very low89 Ų89144.4 Ų144.462%0.62274%0.738SS**  cis-175.6150.8-15.249.90000111.3
390L27.2Very low29.5Very low160 Ų160141.3 Ų141.384%0.83874%0.736SS**  trans62167.5173.5-78.472.1000113.5
391A28.9Very low29.7Very low75 Ų75137.7 Ų137.762%0.6272%0.724SS**  cis-130.5159.6-0.700000108.5
392E29Very low29.6Very low170 Ų170140.2 Ų140.279%0.79473%0.732SS**  55.2122.780-138.3157.6-130.800109.6
393S27.9Very low29.7Very low90 Ų90137.2 Ų137.263%0.62973%0.725SS**  cis-175.7-16411.240.50000103.7
394D34.6Very low29.6Very low126 Ų126136 Ų13667%0.67472%0.716SS**  cis-150.5147.518.1-101.8-49.5000108.7
395E32.7Very low29.4Very low146 Ų146136.9 Ų136.968%0.68271%0.71SS**  69.9123.2104.8-143.1-176.3-140.400112.7
396M34.7Very low29.2Very low138 Ų138129 Ų12968%0.6868%0.681SS**  -153.8145.955.7-82.2-88.8-174.700112.9
397N30.2Very low29.1Very low123 Ų123127.1 Ų127.166%0.65867%0.671SS**  27.9143.8129.5-58.9-31.9000120.6
398D36.1Very low29.2Very low142 Ų142118.6 Ų118.676%0.75965%0.649SS**  cis-142.6167.835.1-108.4-53.9000117
399Q27.3Very low29.2Very low152 Ų152118.8 Ų118.871%0.7165%0.649SS**  trans-31.1158.7165.9-77.5-158.543.400118.1
400P30Very low29.4Very low111 Ų111124.3 Ų124.372%0.72166%0.656SS**  -154.7149.451.442-19.8000122.4
401I30Very low29.5Very low113 Ų113122.3 Ų122.358%0.57965%0.647SS**  58.7120.6128.3-58.3169.8000119.9N403I401-N403 HydrophobicContact CG2-CB 4.4Å; I401-N403 PolarHBondContact O-N 3.37Å
402E25Very low29.5Very low196 Ų196124.4 Ų124.492%0.91665%0.652SS**  trans-61.9116.3152.8-63.3-176.2127.600110.2
403N30.3Very low29.3Very low125 Ų125122.7 Ų122.767%0.66865%0.647SS**  trans-119.2100.3170.6-103.2-29.7000111.6I401I401-N403 HydrophobicContact CG2-CB 4.4Å; I401-N403 PolarHBondContact O-N 3.37Å
404S27Very low29.3Very low85 Ų85125.9 Ų125.959%0.59466%0.655SS**  trans-52.1130.5154.445.70000110.4S406S404-S406 PolarHBondContact O-N 2.89Å; S404-S406 PolarHBondContact O-OG 3.49Å
405Q26.1Very low28.9Very low136 Ų136126.5 Ų126.564%0.63666%0.658SS**  trans-76.874.7165.8-68.1-161.93.300110.8Q922 G924Q405-Q922 WeakPolarHBondContact CA-O 3.41Å; Q405-G924 PolarHBondContact NE2-O 2.87Å
406S28Very low28.5Very low43 Ų43124.3 Ų124.330%0.30166%0.658SS.*  trans-70.7168.4162.150000110.5S404 G920 L921 Q922S404-S406 PolarHBondContact O-N 2.89Å; S404-S406 PolarHBondContact O-OG 3.49Å; S406-G920 WeakPolarHBondContact CB-O 3.16Å; S406-G920 PolarHBondContact OG-O 3.06Å; S406-L921 WeakPolarHBondContact CB-O 3.34Å; S406-L921 PolarHBondContact OG-O 3.02Å; S406-Q922 VanDerWaalsContact O-CA 3.31Å; S406-Q922 WeakPolarHBondContact O-CA 3.34Å; S406-Q922 PolarHBondContact O-N 3.26Å
407S27.7Very low28Very low61 Ų61122.8 Ų122.843%0.42766%0.661SS.*  trans-64.9149.8-159.758.60000116.8L921S407-L921 WeakPolarHBondContact O-CA 3.26Å; S407-L921 PolarHBondContact O-N 2.72Å
408G27.8Very low27.9Very low32 Ų32121.7 Ų121.733%0.3366%0.663SS.*  trans110.4159.4130.300000118Q922G408-Q922 WeakPolarHBondContact O-CG 3.38Å; G408-Q922 PolarHBondContact O-NE2 2.86Å
409F27Very low27.8Very low181 Ų181122.1 Ų122.179%0.79466%0.664SS**  cis-157.6168.1-8-110-65000110.5
410R29.1Very low27.6Very low205 Ų205123.4 Ų123.477%0.77467%0.67SS**  trans84.9137.2175.1-54.5-168.3173-78.81.9115.6
411D30.9Very low27.4Very low118 Ų118122.7 Ų122.763%0.63167%0.668SS**  cis-160.2165.2-12.3-103-27.8000106.6
412V28.2Very low27.5Very low120 Ų120121.7 Ų121.773%0.72768%0.677SS**  cis-136.5-107.513.758.70000112.6
413I25Very low27.3Very low134 Ų134118.4 Ų118.469%0.68766%0.664SS**  trans-153.7149.9-160.4-50.8161.1000104.9
414I28.6Very low27.2Very low156 Ų156117.7 Ų117.780%0.867%0.669SS**  -167.5116.279.9-75.3163.5000111
415D25.7Very low27Very low139 Ų139123.7 Ų123.774%0.74368%0.68SS**  35.1151129.3-124.6-24.4000126.9
416C23.6Very low27.1Very low100 Ų100122.1 Ų122.168%0.67668%0.682SS**  trans65.4112.1148.1-84.50000124.6
417S24.7Very low26.8Very low106 Ų106127.4 Ų127.474%0.74171%0.711SS**  104150.6113.379.40000122.7
418S27.1Very low26.6Very low101 Ų101132.9 Ų132.971%0.70673%0.73SS**  trans89.2145.9152.380.60000120.9
419L34.4Very low26.7Very low151 Ų151138.3 Ų138.379%0.79175%0.752SS**  trans58.4115.5174.4-77.370.1000116.3
420E23.4Very low26.8Very low179 Ų179133.7 Ų133.784%0.83674%0.742SS**  cis67.6146.39.6-145.5172.1-128.400116.5
421S26.6Very low26.6Very low96 Ų96129.9 Ų129.967%0.67175%0.745SS**  trans67.3148.1-162.778.70000115.2
422A30.5Very low26.5Very low92 Ų92127.5 Ų127.576%0.7674%0.738SS**  cis-122.6151.9-3.300000110
423I22.8Very low26.6Very low127 Ų127130.6 Ų130.665%0.65174%0.744SS**  cis80.687.224.2-50.3174000114.8Y425I423-Y425 HydrophobicContact CG2-CD2 4.29Å; I423-Y425 HydrophobicContact CG2-CE2 4.5Å
424S27.2Very low26.8Very low110 Ų110130.6 Ų130.677%0.76975%0.745SS**  trans175.6124145.424.90000106.8
425Y22.2Very low26.9Very low210 Ų210131.4 Ų131.482%0.82475%0.751SS**  cis65.2143.135.3-62.5-67000115I423I423-Y425 HydrophobicContact CG2-CD2 4.29Å; I423-Y425 HydrophobicContact CG2-CE2 4.5Å
426P27.9Very low26.9Very low104 Ų104127.4 Ų127.468%0.67574%0.742SS**  cis-128.5168-12.238.5-23.4000114.3
427V23.5Very low27.2Very low153 Ų153129.7 Ų129.793%0.92775%0.748SS**  trans-120.488.5147-178.80000107.9
428Q23.5Very low27.5Very low176 Ų176132.7 Ų132.782%0.82275%0.748SS**  trans-116.9113.9155.3-81-171-18.500107.3
429N28.4Very low27.8Very low147 Ų147134.6 Ų134.679%0.78675%0.75SS**  trans-110.6116.4140.8-97.8-47.3000104.7
430S29.9Very low27.7Very low84 Ų84134 Ų13459%0.58775%0.747SS**  72.5110.188.4-60.50000109.1
431C25.2Very low27.9Very low124 Ų124132 Ų13284%0.83874%0.741SS**  61.4132.283.7-70.10000111.8
432S29Very low28.1Very low69 Ų69132.6 Ų132.648%0.48375%0.746SS.*  cis-171.1169.64.443.50000109.7
433H30.4Very low28Very low184 Ų184132.7 Ų132.785%0.85274%0.741SS**  -172.695.5123.1-93.8-63.6000106.8
434L28.5Very low28.4Very low134 Ų134135 Ų13570%0.70275%0.747SS**  45.4111.469.1-67.4174000112.8
435N29.6Very low28.5Very low174 Ų174136 Ų13693%0.9374%0.743SS**  trans-147.2139.8149.9-157.1-3.5000109.2
436G27.2Very low28.8Very low54 Ų54130.5 Ų130.556%0.55774%0.735SS**  trans79.2132.3-159.800000112
437N28.7Very low28.8Very low148 Ų148136.5 Ų136.579%0.79175%0.745SS**  cis-158.3159.43.3-151.3-13.5000111.8
438K32.3Very low29.1Very low170 Ų170134.5 Ų134.574%0.73973%0.733SS**  trans71.3102.8164.9-56.7176.6-177.71790120.1
439N31.6Very low29.3Very low141 Ų141136.5 Ų136.575%0.75473%0.734SS**  64.7122.6117.8-60.711.3000123.4
440L32.5Very low29.3Very low138 Ų138137.9 Ų137.972%0.72374%0.736SS**  trans74.2101.6132.9-61.7169.5000121.1
441D29.4Very low29.1Very low136 Ų136138.6 Ų138.673%0.72774%0.742SS**  71.6138.8118.6-61-3.2000124.6
442S30Very low29.1Very low109 Ų109138.8 Ų138.876%0.76273%0.733SS**  trans80.4117.4155.669.80000120.5
443S28.8Very low28.9Very low95 Ų95143.2 Ų143.266%0.66475%0.748SS**  trans33.3127144.159.10000119.7
444F30Very low28.6Very low176 Ų176138 Ų13877%0.77273%0.733SS**  -159.7153.166.5-114.6-95.4000114.3
445D29Very low28.6Very low130 Ų130135.8 Ų135.870%0.69572%0.724SS**  trans38.1111.5148.5-784.2000123.9
446S29.7Very low28.3Very low94 Ų94133.8 Ų133.866%0.65771%0.705SS**  114.7133.1111.579.40000119.2
447R28.5Very low28.3Very low230 Ų230137.3 Ų137.387%0.86871%0.71SS**  trans63.8125.8160.3-58.5168.3-167.3-164.33.6115.7
448T29.8Very low28.1Very low111 Ų111137.4 Ų137.468%0.68171%0.711SS**  cis-162.9144.84.2-4.40000109.2
449Y27.8Very low27.9Very low218 Ų218136.6 Ų136.686%0.85572%0.715SS**  trans55.8105.8172.8-65.8-74.7000115.2
450Q27.4Very low27.8Very low176 Ų176136.2 Ų136.282%0.82272%0.717SS**  cis43.1101.943.4-81.5-171.6-10.200112.3
451S25.4Very low27.6Very low100 Ų100132.9 Ų132.970%0.69971%0.709SS**  cis78.9141.538.4-156.30000114.7
452L25Very low27.6Very low127 Ų127134.4 Ų134.467%0.66571%0.712SS**  trans60.5112.6165.1-65.8158.6000119.3
453M25.1Very low27.5Very low162 Ų162138.2 Ų138.280%0.79872%0.715SS**  -161.3120.395.3-135.864.47200107.9
454S25Very low27.6Very low75 Ų75140.9 Ų140.952%0.52472%0.722SS.*  cis76.4162.723.297.50000115.7
455V27.1Very low27.4Very low87 Ų87142.9 Ų142.953%0.52772%0.724SS.*  trans77.491.4178.9-167.20000116.9L457V455-L457 HydrophobicContact CG1-CD1 3.69Å; V455-L457 HydrophobicContact CG1-CG 3.89Å
456Y24Very low27.3Very low133 Ų133143.1 Ų143.152%0.52272%0.724SS.*  -15080113.4-123.1-84.6000108.2S670 S671Y456-S670 WeakPolarHBondContact OH-CB 3.38Å; Y456-S670 PolarHBondContact OH-O 2.79Å; Y456-S671 PolarHBondContact OH-OG 3.49Å
457L28.1Very low27.2Very low127 Ų127145.2 Ų145.267%0.66573%0.726SS**  83.1127.990-102.5165.5000113.6V455V455-L457 HydrophobicContact CG1-CD1 3.69Å; V455-L457 HydrophobicContact CG1-CG 3.89Å
458N24.6Very low27Very low151 Ų151139.6 Ų139.681%0.80772%0.718SS**  trans-97.1150.4-179.9-67.1-46.5000111
459D28.3Very low26.9Very low153 Ų153140.8 Ų140.882%0.81873%0.727SS**  trans-152150.6133.9-109.6-39000106.6
460V27.8Very low26.7Very low132 Ų132135.4 Ų135.480%0.872%0.717SS**  cis-138.5130.835.8166.20000112.6
461A28.7Very low26.6Very low68 Ų68133.9 Ų133.956%0.56272%0.72SS**  trans52.5124.2143.900000124.2
462Q29.5Very low26.6Very low169 Ų169132.9 Ų132.979%0.7971%0.71SS**  94112.3123.2-78.8-176.545.100123.9
463K29Very low26.6Very low189 Ų189134.7 Ų134.782%0.82272%0.718SS**  trans87.1111.1130.5-81.3-174.1171.7-178.60120.9
464N29.3Very low26.6Very low151 Ų151131.6 Ų131.681%0.80771%0.708SS**  trans-67.9148.8159.3-68.2-56000113
465R26.9Very low26.7Very low218 Ų218134 Ų13482%0.82372%0.72SS**  trans63.5119.5134.9-76.8-179163.8175.6-3.7121.7
466I26.7Very low26.7Very low134 Ų134135.3 Ų135.369%0.68773%0.729SS**  102.2109.5117.9-75.8173.8000120.7
467I27.8Very low26.9Very low139 Ų139136.6 Ų136.671%0.71375%0.745SS**  trans80.8104.8138.3-67.8179.9000122
468T24.6Very low26.7Very low112 Ų112137.2 Ų137.269%0.68775%0.747SS**  trans40.4146.8134.975.50000122.8
469P27.2Very low26.7Very low136 Ų136136.8 Ų136.888%0.88375%0.745SS**  -136.3-172.787.839.6-27.7000115.2
470T24.2Very low26.7Very low105 Ų105136.3 Ų136.364%0.64474%0.742SS**  trans-135.8148.7-156.3-37.90000114T472T470-T472 WeakPolarHBondContact CB-OG1 3.37Å; T470-T472 WeakPolarHBondContact CG2-OG1 3.3Å; T470-T472 PolarHBondContact O-OG1 3.49Å
471V25.2Very low26.5Very low144 Ų144135.8 Ų135.887%0.87374%0.74SS**  trans-131.5115.4157.4-177.60000107.4
472T24.2Very low26.5Very low79 Ų79140.2 Ų140.249%0.48575%0.753SS.*  cis95.399.69.2-41.60000116.2T470 T474T470-T472 WeakPolarHBondContact CB-OG1 3.37Å; T470-T472 WeakPolarHBondContact CG2-OG1 3.3Å; T470-T472 PolarHBondContact O-OG1 3.49Å; T472-T474 HydrophobicContact CG2-CG2 3.34Å
473I25.5Very low26.3Very low164 Ų164136.1 Ų136.184%0.84174%0.743SS**  trans-139.6116.6139.5-54.9179.5000103.9
474T24.9Very low26.1Very low97 Ų97135 Ų13560%0.59574%0.74SS**  cis76.997.728.863.30000118.5T472T472-T474 HydrophobicContact CG2-CG2 3.34Å
475T27.7Very low25.9Very low127 Ų127133 Ų13378%0.77973%0.73SS**  -122.2109.4122.549.60000106.3
476T27.5Very low25.9Very low114 Ų114128.7 Ų128.770%0.69972%0.723SS**  54.5126.689.961.60000112.8
477N26.7Very low25.9Very low160 Ų160128.1 Ų128.186%0.85673%0.726SS**  cis-137.117538.1-125.9-10.6000115.7
478I25.5Very low26.1Very low139 Ų139126.8 Ų126.871%0.71373%0.729SS**  trans-135.5151.1-173.6-75.8171.8000109.6
479N24.1Very low26.5Very low142 Ų142126.5 Ų126.576%0.75973%0.727SS**  trans67.6158.8174.7-67.2-8.6000115.3
480N27.7Very low26.5Very low144 Ų144126 Ų12677%0.7772%0.717SS**  cis-145.417110-131.8-2.9000112.2
481T24.6Very low26.9Very low121 Ų121127.7 Ų127.774%0.74272%0.717SS**  trans-86.3134.117450.50000113.4
482L27.9Very low27.1Very low161 Ų161127.2 Ų127.284%0.84371%0.71SS**  trans-166116.9147.5-121.775000105.9
483S25Very low27.5Very low83 Ų83130.6 Ų130.658%0.5872%0.724SS**  71.31199281.60000116
484E24.3Very low27.4Very low164 Ų164127.4 Ų127.477%0.76672%0.715SS**  trans72.5144.9130.3-81.6-176.3-13800123.4
485N26.6Very low27.6Very low110 Ų110129.6 Ų129.659%0.58872%0.722SS**  trans7694.1145-61.3-23.7000121.6
486N26.8Very low27.5Very low128 Ų128129.4 Ų129.468%0.68472%0.717SS**  90.2118.8110-62.9-19.8000121.7
487T25.2Very low27.6Very low121 Ų121131.9 Ų131.974%0.74273%0.726SS**  trans58.7102.2131.663.70000120.8
488S32.4Very low27.6Very low111 Ų111129 Ų12978%0.77671%0.713SS**  -152.985.8124.861.50000109.3
489T32.2Very low27.8Very low106 Ų106128.2 Ų128.265%0.6571%0.711SS**  69.1117.487.860.50000115.6
490N29.1Very low28.1Very low126 Ų126130.8 Ų130.867%0.67471%0.711SS**  trans76137.1136.9-61.27.8000118.4
491H31.6Very low28Very low140 Ų140131.2 Ų131.265%0.64871%0.714SS**  cis-145141.85.3-99.7-51.7000112.6
492N30.3Very low28.1Very low135 Ų135132.9 Ų132.972%0.72272%0.718SS**  trans57.9128.2140.8-51.2-3.2000118.7
493I31Very low28.1Very low149 Ų149131.1 Ų131.176%0.76471%0.714SS**  cis-162.6144.41-156.5157.2000106.8
494C24.8Very low28.2Very low98 Ų98135 Ų13566%0.66273%0.726SS**  69.214250.4-1120000113.1
495L29Very low28.2Very low142 Ų142132.6 Ų132.674%0.74372%0.723SS**  cis-137.7146.317.4-88.5159.5000114
496D25.6Very low28.1Very low124 Ų124135.9 Ų135.966%0.66374%0.739SS**  trans16.5130.6143.4-51.4-21000122.4
497N28.9Very low28.1Very low166 Ų166134.3 Ų134.389%0.88874%0.736SS**  -145.9149.3110.1-139.2-21.9000110.9
498T27.8Very low28.1Very low98 Ų98133.7 Ų133.760%0.60173%0.734SS**  trans-125.3178.2-163.555.90000113.8
499N29.9Very low27.7Very low124 Ų124135.1 Ų135.166%0.66373%0.732SS**  trans75.8132.2172.6-60.5-41.9000116.5
500Y28.7Very low27.6Very low195 Ų195137.5 Ų137.577%0.76574%0.741SS**  cis-139143.1-7.4-97.7-73000109
501N26.6Very low27.4Very low154 Ų154137.9 Ų137.982%0.82474%0.742SS**  trans-142.892.4168.5-133.1-10.9000110.6
502N27.2Very low27.4Very low155 Ų155135.9 Ų135.983%0.82974%0.741SS**  trans-99.680.7176.6-95.5-12.2000110.2
503V28Very low27.3Very low124 Ų124136.6 Ų136.675%0.75275%0.745SS**  trans-128.2121.9160.7-179.90000108
504I27.1Very low27Very low164 Ų164135.7 Ų135.784%0.84175%0.747SS**  trans-71134.5-178.1-67.1171.4000109.7
505T24.2Very low27.1Very low114 Ų114138.8 Ų138.870%0.69976%0.757SS**  trans-63.1131.6-177-27.80000112.3P507T505-P507 HydrophobicContact CG2-CB 4.37Å; T505-P507 HydrophobicContact CG2-CG 3.94Å
506L23.8Very low27Very low179 Ų179138.3 Ų138.394%0.93776%0.76SS**  trans-119.389.3160.7-89.9168.9000109.8
507P25.8Very low27Very low95 Ų95135.6 Ų135.662%0.61776%0.761SS**  trans-106.4173.3172.240-29.8000111.6T505T505-P507 HydrophobicContact CG2-CB 4.37Å; T505-P507 HydrophobicContact CG2-CG 3.94Å
508P26.8Very low27Very low108 Ų108134.8 Ų134.870%0.70176%0.755SS**  cis-118.9158.9-12.132.5-17000113.1
509L22.6Very low27.1Very low141 Ų141137.4 Ų137.474%0.73876%0.764SS**  trans-95.5111.9159.8-146.3173.1000107.1I511L509-I511 HydrophobicContact CD2-CG1 4.41Å; L509-I511 HydrophobicContact CD2-CG2 4.15Å; L509-I511 PolarHBondContact O-N 2.83Å
510N30.1Very low27.1Very low156 Ų156137.8 Ų137.883%0.83477%0.766SS**  trans-83.990.6166.6-88.210.4000109.1
511I26.1Very low27.3Very low135 Ų135136.4 Ų136.469%0.69277%0.772SS**  trans-74.6175.716014.6174.6000109.4L509L509-I511 HydrophobicContact CD2-CG1 4.41Å; L509-I511 HydrophobicContact CD2-CG2 4.15Å; L509-I511 PolarHBondContact O-N 2.83Å
512P32.1Very low27.5Very low97 Ų97132.2 Ų132.263%0.6377%0.765SS**  cis-130.7179.2-2.435.9-16.4000114.6
513N26.7Very low27.7Very low151 Ų151131.6 Ų131.681%0.80776%0.761SS**  -165.6125.2111.1-97.22.3000109.9
514T24.4Very low27.8Very low130 Ų130135.1 Ų135.180%0.79876%0.762SS**  trans-124.5124.1173.646.70000108.3
515D27.2Very low28Very low163 Ų163133 Ų13387%0.87275%0.753SS**  trans-127.4124.7161.7-86.2-50.7000109.4
516T27.6Very low28.4Very low132 Ų132132.9 Ų132.981%0.8175%0.752SS**  trans-79.9148.6166.748.50000109
517G26.2Very low28.7Very low67 Ų67130.5 Ų130.569%0.69174%0.736SS**  cis128.6-146.344.600000108.1
518I27.9Very low28.9Very low148 Ų148133.1 Ų133.176%0.75974%0.737SS**  trans89.6146165.3-48.9162.8000116.8
519I31Very low29.1Very low154 Ų154134.9 Ų134.979%0.7974%0.738SS**  trans74.991.1-177.9-39.6-173.3000112.9
520D28.9Very low29.6Very low132 Ų132134.6 Ų134.671%0.70674%0.738SS**  cis83.5124.425.8-53.8-63.9000117.4
521D32.7Very low29.6Very low166 Ų166131.2 Ų131.289%0.88873%0.726SS**  trans-158.5106.6152.8-110-32.4000104
522G31.5Very low30Very low66 Ų66133.3 Ų133.368%0.6873%0.73SS**  99.413583.400000110
523L31.7Very low30.1Very low142 Ų142136.9 Ų136.974%0.74374%0.739SS**  cis-147.2150.215.8-94.387.4000111.7
524Y29.5Very low30.3Very low198 Ų198134.2 Ų134.278%0.77673%0.732SS**  trans51.9135.9133.5-67.7-128.4000118.4
525N32.3Very low30.5Very low120 Ų120135 Ų13564%0.64273%0.732SS**  cis-172.1164.316.9-122.925000107.8
526T31.3Very low30.7Very low110 Ų110136.8 Ų136.868%0.67574%0.735SS**  cis-163.9-173.1-6.43.80000106.3
527E31.2Very low30.7Very low129 Ų129135.7 Ų135.760%0.60373%0.732SS**  cis-159.7162.79.5-139.6-162.7142.500110
528K30.3Very low30.8Very low150 Ų150138.7 Ų138.765%0.65274%0.737SS**  trans62.1140.7158.3-68.4160.9173.1132.10117.5
529M30.4Very low30.7Very low145 Ų145140.8 Ų140.871%0.71474%0.741SS**  cis-164.2142.1-7.4-123.2174.5172.200109.6
530N31.9Very low30.6Very low136 Ų136137.9 Ų137.973%0.72773%0.734SS**  trans60.5151.9146.5-60.70.4000120.4
531S30.7Very low30.6Very low84 Ų84139.5 Ų139.559%0.58774%0.741SS**  cis178.4170.6-27.1480000109.2
532F34.4Very low30.3Very low179 Ų179137.4 Ų137.479%0.78573%0.73SS**  trans74.6142.5173.7-68-83.7000117
533E34.4Very low30.2Very low172 Ų172142.2 Ų142.280%0.80474%0.739SS**  cis-152.3-176-13.7-157.2158.2-140.400110.6
534S31.6Very low30.1Very low96 Ų96142.6 Ų142.667%0.67174%0.736SS**  trans-133.2151.6-162.862.30000117
535N28.1Very low30.2Very low147 Ų147140 Ų14079%0.78673%0.731SS**  trans12.1133.6147.8-55.6-16.8000120.8
536Q31.6Very low30.1Very low200 Ų200140 Ų14094%0.93573%0.731SS**  -164.7170.2125.5-114.6162.287.900114.9
537S26.6Very low30.1Very low108 Ų108143.4 Ų143.476%0.75574%0.739SS**  trans-151.2150.6-166.156.70000113.8
538T28.6Very low29.8Very low130 Ų130145.9 Ų145.980%0.79875%0.754SS**  trans-159.6130.916817.80000109.3
539F26.5Very low29.7Very low193 Ų193141.7 Ų141.785%0.84675%0.753SS**  59.9130.587.3-82.2-85.7000113.9
540S29.3Very low29.5Very low92 Ų92143.1 Ų143.164%0.64376%0.758SS**  cis-157.5152.512.8-49.20000114.7
541I27.7Very low29.4Very low166 Ų166144.5 Ų144.585%0.85176%0.76SS**  trans50.2136.7139.2-58.8171.3000121.6
542N26.1Very low29.2Very low123 Ų123147.3 Ų147.366%0.65877%0.769SS**  trans-72.3147-173.5-62.9-5.1000117.3
543I29.6Very low28.8Very low167 Ų167145.5 Ų145.586%0.85677%0.767SS**SBendtrans-135.281.1137.6-54.7-178.4000110.2
544H29.9Very low28.5Very low150 Ų150146.3 Ų146.369%0.69477%0.768SS**SBendtrans174.1129.7141.4-108.6-77.7000108.6
545H31.5Very low28.2Very low142 Ų142146.8 Ų146.866%0.65777%0.767SS**SBendtrans42.6117.9168.2-60.4-60.6000119.1
546D30.1Very low28.1Very low122 Ų122148 Ų14865%0.65277%0.768SS**  cis-144.6176.50.7-87.6-44.4000111.3
547H31.2Very low27.9Very low180 Ų180144.4 Ų144.483%0.83376%0.755SS**  trans-76.8142.7-160.1-66.4-96.2000116.2
548I26.4Very low28Very low181 Ų181145.6 Ų145.693%0.92875%0.752SS**  trans-124119.9150.6-63.8176.8000106.7
549G26.8Very low28Very low62 Ų62148.3 Ų148.364%0.63976%0.756SS**  trans177.276.7-176.500000118.7
550Q27.4Very low28.1Very low175 Ų175143.2 Ų143.282%0.81874%0.744SS**  trans72.4168.7148.6-53.1-178.3-2.300120.1
551H29.6Very low28.2Very low165 Ų165144.9 Ų144.976%0.76475%0.753SS**  trans80.392.2169-66.4-71.8000121.1
552N26.2Very low28.2Very low143 Ų143145.1 Ų145.177%0.76575%0.753SS**  trans-46.6163164.4-48.1-29.1000117.4
553N25.4Very low28.5Very low141 Ų141144.9 Ų144.975%0.75475%0.75SS**  trans87.8152.8152.8-64-11.5000119.6
554F28.9Very low28.5Very low189 Ų189144.4 Ų144.483%0.82974%0.742SS**  trans6887.7-174.1-58.9-78.1000114.5
555T24.9Very low28.5Very low106 Ų106143.6 Ų143.665%0.6574%0.738SS**  73.9120.756.476.10000115.5
556H25.2Very low28.4Very low173 Ų173144.9 Ų144.980%0.80174%0.742SS**  trans68.3148.1168.3-65-74.3000115.5
557D27.6Very low28.6Very low124 Ų124144.9 Ų144.966%0.66375%0.748SS**  cis-143170.724-137.8-13.3000116.3
558L28.6Very low28.6Very low133 Ų133146 Ų14670%0.69675%0.751SS**  trans35.1124.3155.9-68.6156.2000118.6
559Q29.4Very low28.4Very low187 Ų187149.2 Ų149.287%0.87475%0.752SS**  -144.1111.266.5-151.6161.323.900115.7
560S28.5Very low28.8Very low86 Ų86151.5 Ų151.560%0.60176%0.755SS**  trans53.5102.1144-57.70000122.1
561P30.3Very low28.6Very low128 Ų128149.2 Ų149.283%0.83175%0.753SS**  trans-87.3132.1155.633.8-31.2000112.9
562M28.8Very low28.4Very low170 Ų170148.7 Ų148.784%0.83776%0.755SS**  trans-156.7147.3171.3-84-157.616500108.7
563I31.5Very low28.2Very low118 Ų118146.6 Ų146.661%0.60575%0.75SS**  cis-156.7143.4-0.9-125.5173.3000110.3
564K30.3Very low28.2Very low158 Ų158146.8 Ų146.869%0.68775%0.75SS**  trans58125.7153.2-64.7176.4176.2-176.20121.2
565E30.1Very low28.2Very low132 Ų132147.1 Ų147.162%0.61775%0.752SS**  70.1146.5100.8-59.3-179.3105.600116.2
566K30.1Very low28.4Very low170 Ų170146.8 Ų146.874%0.73975%0.754SS**  cis-162.9152.9-12-110.5166.6-177.8160.60107.4
567P33.4Very low28.6Very low121 Ų121142.3 Ų142.379%0.78675%0.747SS**  trans-82.1130.4176.631.7-33.3000112.6
568K30.8Very low28.6Very low205 Ų205143.9 Ų143.989%0.89176%0.755SS**  trans-173.3102.2160.4-110.6164.2-174-179.20115
569R23.7Very low28.6Very low248 Ų248146.1 Ų146.194%0.93676%0.759SS**  trans52172.3141.7-88.4-170.4175.5176.50.2119.6
570P34.5Very low28.5Very low110 Ų110147.1 Ų147.171%0.71476%0.757SS**  trans-106174.5-145.938.9-36.1000116.9
571V23.1Very low28.4Very low126 Ų126150.4 Ų150.476%0.76477%0.767SS**  trans125124.1148.51750000116.1
572L24.7Very low28.3Very low154 Ų154151.9 Ų151.981%0.80676%0.763SS**  trans69.5102.4161.6-103.771.6000122.8
573C22.4Very low28.1Very low100 Ų100153 Ų15368%0.67676%0.763SS**  91.2138.7109.5-97.30000125.1
574L26.3Very low27.9Very low144 Ų144158.8 Ų158.875%0.75478%0.777SS**  trans71.1108.5140.3-75.7162.2000121
575F28.3Very low27.9Very low197 Ų197160 Ų16086%0.86479%0.785SS**  -162.5109.8110.3-91.4-66.6000107.9
576S28.7Very low27.9Very low99 Ų99161.3 Ų161.369%0.69280%0.796SS**  67136.6100.5720000115.6
577A29.4Very low27.9Very low78 Ų78162.2 Ų162.265%0.64580%0.8SS**  cis-144.21767.600000109.2
578N28.1Very low27.8Very low158 Ų158167.1 Ų167.185%0.84580%0.802SS**  cis-110.4148.816.4-62-43.1000111.3
579K28.8Very low27.6Very low179 Ų179163.3 Ų163.378%0.77879%0.792SS**  cis64.678.528.4-78.3-169.6174.1179.50116.1
580Y26.6Very low28Very low209 Ų209158.7 Ų158.782%0.8279%0.786SS**  -130.6100.1120.1-117.2-81.1000110.2Q582Y580-Q582 HydrophobicContact CE1-CG 4.28Å
581N26.6Very low27.7Very low155 Ų155158.4 Ų158.483%0.82979%0.786SS**  trans-155.981.6170.1-152-14.2000108.2K583N581-K583 PolarHBondContact O-N 3.37Å
582Q27.6Very low27.9Very low158 Ų158160.3 Ų160.374%0.73879%0.79SS**  trans-84.589.3-175-75-170-3.100111.7Y580Y580-Q582 HydrophobicContact CE1-CG 4.28Å
583K25.7Very low28Very low194 Ų194159.1 Ų159.184%0.84379%0.79SS**  trans-14188.3155.5-85.7-164175.2-177.30111N581N581-K583 PolarHBondContact O-N 3.37Å
584R26.2Very low28.4Very low239 Ų239161.2 Ų161.290%0.90279%0.793SS**  trans172.7110.9148-101.7167.5-178.2-1711.1111.6
585H30.8Very low28.5Very low185 Ų185160.8 Ų160.886%0.85679%0.791SS**  -163.1140124.3-82.1-68.6000103.8
586L29.8Very low28.6Very low159 Ų159157.5 Ų157.583%0.83278%0.783SS**  cis-126.9179.727.5-150.867.3000113.4
587K30.3Very low28.7Very low189 Ų189160.7 Ų160.782%0.82279%0.792SS**  trans-64.1149.4171.2-54.3166-177.2174.60109.2
588R30.5Very low28.8Very low223 Ų223163.9 Ų163.984%0.84279%0.793SS**  -155.2159.350.9-89.4178.6159.8124.2-8112.6
589N28.1Very low28.9Very low126 Ų126162.4 Ų162.467%0.67479%0.786SS**  trans48115.7148.7-58.520.6000118.1
590N30.5Very low28.9Very low151 Ų151160.8 Ų160.881%0.80779%0.785SS**  68.9135.869.9-65.217.9000112.6
591S29.4Very low29.3Very low103 Ų103157.2 Ų157.272%0.7278%0.78SS**  cis-166.7172.1-12.541.30000109.6T593S591-T593 PolarHBondContact O-N 3.47Å
592I26.8Very low29.6Very low166 Ų166156.3 Ų156.385%0.85178%0.775SS**  trans-55.7121.7177.7-61.2159.1000111.8
593T27.5Very low29.8Very low130 Ų130154.9 Ų154.980%0.79877%0.772SS**  trans-154.3158.3145.115.30000108.4S591S591-T593 PolarHBondContact O-N 3.47Å
594I29.4Very low30.1Very low143 Ų143151.8 Ų151.873%0.73376%0.764SS**  trans-119.9155177.5-74.7173.3000107
595D29Very low30.5Very low136 Ų136146.7 Ų146.773%0.72776%0.755SS**  trans74.2111178.1-51.1-29.4000118.4
596D31.4Very low30.8Very low127 Ų127143.7 Ų143.768%0.67975%0.745SS**  52.6107.9126.7-53.9-13.2000122.6
597N29.8Very low31.2Very low166 Ų166141.4 Ų141.489%0.88873%0.734SS**  -105.9128.1122.7-54.1-76.7000104.9
598H32.7Very low31.5Very low145 Ų145138.6 Ų138.667%0.67173%0.728SS**  cis65.780.228.6-97.2-30.9000115.1
599D29.1Very low31.4Very low128 Ų128134.5 Ų134.568%0.68472%0.723SS**  48.1157.5117-51.1-47.6000123.7
600D30.1Very low31.7Very low145 Ų145135.6 Ų135.678%0.77573%0.728SS**  trans86.1150.2157.1-68.2-27.9000121.9
601N33.4Very low31.8Very low134 Ų134134.7 Ų134.772%0.71772%0.724SS**  trans75.1124.7-175.1-40.4-75.8000113.9
602D33.9Very low31.7Very low135 Ų135133.4 Ų133.472%0.72273%0.726SS**  cis-134.2135.22.4-80.7-47.6000109
603I30.7Very low32Very low128 Ų128131.5 Ų131.566%0.65672%0.718SS**  84.6143.159.7-73.5178000112.2
604N32.2Very low32.2Very low130 Ų130131.4 Ų131.470%0.69571%0.711SS**  trans67.7139.1-171.8-73.836.6000114.5
605D36.1Very low32.5Very low132 Ų132132.3 Ų132.371%0.70671%0.712SS**  cis-153165.1-3.5-89.7-31.8000106.9
606D37.2Very low32.8Very low122 Ų122131.8 Ų131.865%0.65271%0.709SS**  cis-173.2169.1-24.6-175.523.2000106
607N37Very low33.1Very low111 Ų111131.4 Ų131.459%0.59471%0.711SS**  trans32.3125.8153.2-84.9-53.3000123.2
608N36Very low33.2Very low129 Ų129131.9 Ų131.969%0.6971%0.705SS**  trans68.7115.5138.8-62.6-45000122.1
609N29.5Very low33.4Very low138 Ų138133.3 Ų133.374%0.73871%0.713SS**  18112.1115.9-64.5-19.7000117.6
610N33.9Very low33.7Very low148 Ų148133.5 Ų133.579%0.79171%0.713SS**  -174.8147.898.4-90.8-33.4000113.4
611N32Very low34Very low133 Ų133134.4 Ų134.471%0.71172%0.715SS**  trans113.183.8167.4-63.3-9.1000115.1N613N611-N613 VanDerWaalsContact C-N 3.34Å
612G28.1Very low34Very low75 Ų75133.9 Ų133.977%0.77371%0.712SS**  cis63.329-1.600000114.7I614G612-I614 VanDerWaalsContact C-N 3.34Å; G612-I614 PolarHBondContact O-N 3.19Å
613N32.7Very low34Very low127 Ų127131.7 Ų131.768%0.67970%0.704SS**  trans-72.593-177.1-156.339.6000109.3N611N611-N613 VanDerWaalsContact C-N 3.34Å
614I32.7Very low34Very low128 Ų128133.6 Ų133.666%0.65670%0.702SS**SBendtrans77.2113.5165.2-57.8166.2000115.2G612G612-I614 VanDerWaalsContact C-N 3.34Å; G612-I614 PolarHBondContact O-N 3.19Å
615H34.9Very low33.9Very low161 Ų161137.8 Ų137.875%0.74571%0.709SS**  trans65.5134.1168-70.2-67.8000117.8
616D34.8Very low33.9Very low125 Ų125138 Ų13867%0.66871%0.709SS**  cis-140.1138.18.7-94.8-46000115.6
617V38.3Very low33.8Very low120 Ų120142.2 Ų142.273%0.72772%0.716SS**  trans32.1116.2131.5-174.70000118.2
618K32.6Very low33.8Very low175 Ų175144.6 Ų144.676%0.76172%0.723SS**  cis101.2112.436.6177.8-167.9-179.9-176.30113.6
619Q37.2Very low33.7Very low176 Ų176141.1 Ų141.182%0.82272%0.718SS**  trans177.5129.2149.6-98166.3900107.4
620D35.1Very low34Very low131 Ų131140.7 Ų140.770%0.70172%0.721SS**  77.3129.365.4-66.6-46.1000112.6
621M36.7Very low33.8Very low165 Ų165140.4 Ų140.481%0.81372%0.719SS**  cis-132.9155.12.5-68.4-162.9-64.500110.4
622D32Very low34Very low123 Ų123141 Ų14166%0.65872%0.721SS**  63.8130.959.8-117.646.4000112.3R624D622-R624 IonicContact OD2-NH2 3.03Å; D622-R624 PolarHBondContact OD2-NH2 2.9Å
623V33.5Very low34.1Very low89 Ų89142 Ų14254%0.53972%0.716SS.*  cis-175.1163.52.979.50000118.1
624R32.3Very low34.2Very low167 Ų167142 Ų14263%0.6372%0.721SS**  trans64.4122.8151.1-81.5152.4-105.9178.24.5122.8D622D622-R624 IonicContact OD2-NH2 3.03Å; D622-R624 PolarHBondContact OD2-NH2 2.9Å
625R29.9Very low34.4Very low219 Ų219141.2 Ų141.283%0.82672%0.722SS**  trans70152.1131.9-60169.2179.8166.9-1117.1
626L35Very low34.3Very low136 Ų136141.8 Ų141.871%0.71272%0.722SS**  cis-144.1154.132.9-87.983.5000114.4
627R35.9Very low34.2Very low211 Ų211143.1 Ų143.180%0.79673%0.729SS**  trans31.3148133.8-53.2-179-179.9175-3.4120.5
628Q36.4Very low33.9Very low160 Ų160141.9 Ų141.975%0.74873%0.725SS**  cis-170.9178.5-4-110.2168.6-110.300107.3
629G35.1Very low33.8Very low57 Ų57139.3 Ų139.359%0.58872%0.724SS**  cis137156.8-2.300000113.8
630T35Very low33.5Very low129 Ų129137.2 Ų137.279%0.79172%0.719SS**  trans67.1155168.652.70000120.6
631N30.5Very low33.4Very low141 Ų141136.8 Ų136.875%0.75472%0.716SS**  cis-173.2-175.3-35.9-147.4-19.6000110.1
632I35.7Very low33.1Very low147 Ų147135.9 Ų135.975%0.75471%0.71SS**  trans72.7116.9167.1-41.7179.1000115.4
633S30.7Very low33.1Very low96 Ų96136.4 Ų136.467%0.67171%0.711SS**  cis99129.914.693.60000117.5
634T34.2Very low32.9Very low126 Ų126138 Ų13877%0.77372%0.717SS**  trans178.5109.7144.723.40000115.3
635T35.9Very low32.7Very low111 Ų111140.2 Ų140.268%0.68173%0.725SS**  trans65147.213662.90000123
636K33.8Very low32.8Very low173 Ų173136.1 Ų136.175%0.75272%0.718SS**  cis-164.4132.3-6.8-108.3168.7-179.3178.20109.7
637L32.9Very low32.5Very low154 Ų154136.1 Ų136.181%0.80672%0.724SS**  72147.699.4-67.4-170.9000117.6
638S31.9Very low32.2Very low94 Ų94129.6 Ų129.666%0.65772%0.723SS**  cis-175.9-170.9-6.250.40000114.3
639V30.9Very low31.7Very low120 Ų120127.4 Ų127.473%0.72773%0.725SS**  trans94.7108.8163.4-171.20000115.3
640N29.6Very low31.3Very low133 Ų133129.1 Ų129.171%0.71173%0.728SS**  84.4148.453.9-6919.7000113.2
641N33.2Very low31Very low121 Ų121130.4 Ų130.465%0.64773%0.73SS**  cis-166.3179.9-2.3-107.713.6000108.2
642Q29.9Very low30.7Very low146 Ų146130.9 Ų130.968%0.68273%0.732SS**  cis179.1-164.6-27.2-161.9-18022.900107.3
643I31.8Very low30.1Very low135 Ų135130.4 Ų130.469%0.69273%0.73SS**  trans77135148.1-77.1164.6000117.9
644N30Very low30Very low121 Ų121132.4 Ų132.465%0.64773%0.733SS**  cis-171.5169.4-1.6-128-15.2000116.9
645R29.4Very low29.5Very low214 Ų214132.4 Ų132.481%0.80873%0.729SS**  trans77.3150.3147.4-75.2176.5179.5179.4-1122.9
646I31.8Very low29.2Very low134 Ų134133.5 Ų133.569%0.68773%0.73SS**  cis-169.5148.9-25.8-133.7-180000114
647T29Very low28.9Very low136 Ų136131.2 Ų131.283%0.83473%0.726SS**  trans51.4156.8161.958.20000123
648G29.1Very low28.8Very low74 Ų74129.8 Ų129.876%0.76372%0.719SS**  cis164.8156-10.700000116.7
649S26.1Very low28.6Very low113 Ų113131.7 Ų131.779%0.7972%0.722SS**  trans75.7130155.7-155.80000126.2
650S27Very low28.7Very low94 Ų94130.6 Ų130.666%0.65771%0.711SS**  trans71.4128.8137.155.10000126.7
651N27.6Very low28.5Very low156 Ų156127.1 Ų127.183%0.83470%0.696SS**  trans61.6112135.4-62.6-3.7000124.7
652N24.1Very low28.3Very low150 Ų150124.9 Ų124.980%0.80269%0.685SS**  48.6135124.4-110.55.3000124.1
653I24.2Very low28.3Very low138 Ų138124.6 Ų124.671%0.70868%0.683SS**  trans85.4142.1151.5-64.1166.2000118.6
654N27.7Very low28Very low138 Ų138124.4 Ų124.474%0.73868%0.683SS**  trans69.1157.3173.8-76.7-21.9000117.4
655N23.5Very low27.8Very low126 Ų126126 Ų12667%0.67469%0.691SS**  cis-179.3168.8-41.5-122.6-29.4000106.9
656N29.3Very low27.7Very low134 Ų134122.7 Ų122.772%0.71769%0.685SS**  trans69.4148.7169.9-52.6-9.2000115.4
657N27.8Very low27.5Very low124 Ų124122.5 Ų122.566%0.66368%0.684SS**  cis-160.7175.4-19.2-117.38.2000111
658D32Very low27.3Very low125 Ų125123 Ų12367%0.66868%0.681SS**  trans71.3118.6160.2-56.3-43000118.6
659N27.4Very low27.2Very low133 Ų133126.1 Ų126.171%0.71168%0.679SS**  cis93.3109.838-72.3-43.8000113.4
660I31.6Very low27.2Very low97 Ų97124.6 Ų124.650%0.49767%0.669SS.*  161.5145.7128.6-85.8162.8000112.7L681 Q682I660-L681 HydrophobicContact CD1-CD1 4.22Å; I660-L681 HydrophobicContact CG2-CB 4.38Å; I660-L681 HydrophobicContact CG2-CD1 3.93Å; I660-L681 HydrophobicContact CG2-CG 3.98Å; I660-Q682 HydrophobicContact CG1-CG 4.44Å; I660-Q682 HydrophobicContact CG2-CG 4.18Å
661C26.9Very low27Very low60 Ų60124.4 Ų124.441%0.40567%0.667SS.*  trans-86.4-173.3-176.1-29.30000112.5L681C661-L681 CarbonylContact O-C 3.54Å; C661-L681 WeakPolarHBondContact O-CA 3.34Å; C661-L681 PolarHBondContact O-N 2.77Å
662N27.9Very low27.1Very low74 Ų74123.8 Ų123.840%0.39667%0.669SS.*  cis-169178.727.7-15024.8000118.4Q682 A683N662-Q682 VanDerWaalsContact CB-O 3.28Å; N662-Q682 WeakPolarHBondContact CB-O 3.29Å; N662-Q682 PolarHBondContact ND2-O 2.88Å; N662-A683 PolarHBondContact ND2-O 3.43Å
663H29.7Very low27.2Very low141 Ų141123.5 Ų123.565%0.65367%0.668SS**  trans-10.2131164.3-74.5-43.7000124.6Y684H663-Y684 PolarHBondContact NE2-O 2.99Å
664N26.4Very low27.4Very low130 Ų130125.2 Ų125.270%0.69567%0.673SS**  61.8125.9120.5-58.7-18.6000124.9
665L25.9Very low27.5Very low154 Ų154123.6 Ų123.681%0.80667%0.671SS**  114.6137.2122.4-128.683.1000119.6
666H27.9Very low27.7Very low146 Ų146126.6 Ų126.668%0.67668%0.678SS**  trans76.289.2152.5-111.6-111.8000121.9
667L26.5Very low27.7Very low130 Ų130125.7 Ų125.768%0.68168%0.682SS**  80.5131.8124.4-105.868.2000122.8
668L25.2Very low27.7Very low147 Ų147125.8 Ų125.877%0.7769%0.691SS**  trans84.8144.2146.7-76.8163.3000121
669L27.6Very low27.6Very low139 Ų139125.9 Ų125.973%0.72870%0.696SS**  trans67.957.2161.5-64.3160.4000117.8
670S24.3Very low27.7Very low81 Ų81125.8 Ų125.857%0.56670%0.696SS**  32.4130.3116.8-51.40000120.9Y456Y456-S670 WeakPolarHBondContact OH-CB 3.38Å; Y456-S670 PolarHBondContact OH-O 2.79Å
671S24.1Very low27.8Very low89 Ų89125.6 Ų125.662%0.62270%0.695SS**  trans69.6106.416481.40000117.9Y456Y456-S671 PolarHBondContact OH-OG 3.49Å
672T29.5Very low28.1Very low143 Ų143127.8 Ų127.888%0.87770%0.7SS**  -159.6167.4103.715.30000109.5
673N25.6Very low28.3Very low145 Ų145127 Ų12778%0.77570%0.703SS**  trans-75.1171.4167.3-81.7-21.9000110.7
674E29.4Very low28.3Very low174 Ų174127 Ų12781%0.81370%0.699SS**  trans78.6101.1158.6-73160.9-127.800119.5
675C28.6Very low28.6Very low103 Ų103126.4 Ų126.470%0.69669%0.691SS**  88.198121.3-68.30000121.8
676K28.4Very low28.7Very low189 Ų189124.9 Ų124.982%0.82268%0.684SS**  89.5135.8128.2-63.4176.7178177.90120.5
677S28.2Very low29Very low115 Ų115121.9 Ų121.980%0.80468%0.679SS**  trans67.8134.8161.2720000116
678C29.2Very low29.2Very low126 Ų126123.1 Ų123.185%0.85168%0.681SS**  cis-132.4-174.114.4-77.30000113.1
679V28.6Very low29.4Very low127 Ų127122.8 Ų122.877%0.7768%0.68SS**  trans-124.2139.1-178.7172.10000110.2
680N31.2Very low29.2Very low132 Ų132126.6 Ų126.671%0.70669%0.685SS**  trans169.9148.8138.3-98.6-25.2000117.6
681L33.4Very low29.4Very low93 Ų93133.7 Ų133.749%0.48770%0.701SS.*  trans66.6153147.8-88.379.1000120.7I660 C661I660-L681 HydrophobicContact CD1-CD1 4.22Å; I660-L681 HydrophobicContact CG2-CB 4.38Å; I660-L681 HydrophobicContact CG2-CD1 3.93Å; I660-L681 HydrophobicContact CG2-CG 3.98Å; C661-L681 CarbonylContact O-C 3.54Å; C661-L681 WeakPolarHBondContact O-CA 3.34Å; C661-L681 PolarHBondContact O-N 2.77Å
682Q32.9Very low29.6Very low106 Ų106141.1 Ų141.150%0.49572%0.715SS.*  cis-163.9157.7-24.7-149.6168.31900112.7I660 N662I660-Q682 HydrophobicContact CG1-CG 4.44Å; I660-Q682 HydrophobicContact CG2-CG 4.18Å; N662-Q682 VanDerWaalsContact CB-O 3.28Å; N662-Q682 WeakPolarHBondContact CB-O 3.29Å; N662-Q682 PolarHBondContact ND2-O 2.88Å
683A31.3Very low29.4Very low58 Ų58142 Ų14248%0.47971%0.714SS.*  trans43.5130.2159.600000121.2N662N662-A683 PolarHBondContact ND2-O 3.43Å
684Y30.5Very low29.7Very low141 Ų141140.3 Ų140.355%0.55371%0.712SS**  cis-157179.511.7-150-144.6000108.1H663H663-Y684 PolarHBondContact NE2-O 2.99Å
685E31.6Very low29.5Very low116 Ų116137.6 Ų137.654%0.54271%0.712SS.*  cis-122.3-151.26.9-164.4161.1119.700107S687E685-S687 VanDerWaalsContact OE1-CB 3.27Å; E685-S687 WeakPolarHBondContact OE1-CB 3.32Å; E685-S687 PolarHBondContact OE1-OG 3.44Å
686L29.2Very low29.7Very low123 Ų123138 Ų13864%0.64472%0.716SS**  cis56.3179.713.7-84.1159.8000113.2Q688L686-Q688 HydrophobicContact CD2-CG 3.99Å
687S32.7Very low29.7Very low82 Ų82132.9 Ų132.957%0.57372%0.716SS**  cis-146.8176.3-1.357.60000107.9E685E685-S687 VanDerWaalsContact OE1-CB 3.27Å; E685-S687 WeakPolarHBondContact OE1-CB 3.32Å; E685-S687 PolarHBondContact OE1-OG 3.44Å
688Q31.4Very low29.8Very low156 Ų156133.3 Ų133.373%0.72972%0.72SS**  cis-162.4162.7-39.7-99.2-169.2-600106.5L686L686-Q688 HydrophobicContact CD2-CG 3.99Å
689D29.4Very low29.7Very low140 Ų140133.3 Ų133.375%0.74972%0.716SS**  cis-167.3-178.1-29-138.3-45.7000107.2
690R24.6Very low29.9Very low220 Ų220133.7 Ų133.783%0.8372%0.718SS**  trans-100.6138.1162.8-52.5177.6-160.21657.1109.3
691Y27Very low29.8Very low229 Ų229132.1 Ų132.190%0.89872%0.718SS**  trans167115.1134.1-99-67.3000112.7
692R29.3Very low29.7Very low246 Ų246131.2 Ų131.293%0.92871%0.711SS**  trans164.7127130.2-91.6171.8-178.2-159.10.1112.1
693N24Very low29.7Very low160 Ų160131.1 Ų131.186%0.85671%0.713SS**  trans-84.2167.8158.6-89.1-19.7000108.6
694P31.9Very low30.4Very low111 Ų111131.8 Ų131.872%0.72171%0.712SS**  cis-150.7178.938.543.3-22.6000119.7
695S25.1Very low30.4Very low116 Ų116134.6 Ų134.681%0.81172%0.722SS**  trans71.3152.2163.979.40000116.6
696S33.1Very low30.3Very low112 Ų112133.3 Ų133.378%0.78373%0.726SS**  cis-157.7146.318.553.50000114.1
697G29.4Very low30.4Very low81 Ų81133.4 Ų133.484%0.83573%0.727SS**  trans58.6172.4157.400000120.4
698S29.5Very low30.3Very low125 Ų125136.9 Ų136.987%0.87474%0.738SS**  cis-161.3165.4-30.5-166.60000109.7
699T27.6Very low30.7Very low126 Ų126134.1 Ų134.177%0.77373%0.734SS**  trans-104165.1-179.952.30000113.4
700V32.3Very low30.8Very low134 Ų134134.4 Ų134.481%0.81274%0.735SS**  trans172.8150.8140.41430000116.3
701S28.6Very low31.1Very low100 Ų100129.3 Ų129.370%0.69973%0.728SS**  trans82.9172167.282.10000118.5
702Q33Very low31.4Very low73 Ų73128.1 Ų128.134%0.34172%0.724SS.*  cis-151.5-170.48.6-143.5-170.8116.500112.1S190 N191S190-Q702 PolarHBondContact O-NE2 2.93Å; S190-Q702 PolarHBondContact O-OE1 2.9Å; S190-Q702 WeakPolarHBondContact OG-CB 3.29Å; S190-Q702 WeakPolarHBondContact OG-CG 3.41Å; S190-Q702 PolarHBondContact OG-OE1 2.88Å; N191-Q702 PolarHBondContact OD1-NE2 3.49Å
703I32.4Very low31.6Very low105 Ų105123.7 Ų123.754%0.53872%0.718SS.*  trans-148.3133.5-176.5-49.1-177.8000114.3K188 S190K188-I703 HydrophobicContact CD-CG2 4.41Å; S190-I703 WeakPolarHBondContact CB-O 3.3Å; S190-I703 VanDerWaalsContact OG-C 3.23Å; S190-I703 PolarHBondContact OG-N 2.91Å; S190-I703 PolarHBondContact OG-O 3.43Å
704P45.7Very low31.7Very low72 Ų72123.4 Ų123.447%0.46872%0.716SS.*  trans-110176.6-170.340.1-37.8000119.3H189H189-P704 WeakPolarHBondContact O-CB 3.38Å; H189-P704 WeakPolarHBondContact O-CG 3.23Å
705R30.7Very low32.1Very low200 Ų200123.2 Ų123.276%0.75572%0.715SS**  trans-156.3152.2152.4-120.7-178.2171.8130.51.6108.7D707R705-D707 IonicContact NE-OD2 3.99Å
706S28.4Very low32.4Very low89 Ų89123.8 Ų123.862%0.62272%0.715SS**  cis81.4146.411.6820000116.6
707D32.5Very low32Very low124 Ų124123.1 Ų123.166%0.66371%0.711SS**  cis-141.8-77.630.7-72.4-85.8000120.7R705R705-D707 IonicContact NE-OD2 3.99Å
708L30.8Very low32.3Very low156 Ų156127.4 Ų127.482%0.81771%0.711SS**  trans-141.2175.1-151.3-108.375.2000115.3
709P40.5Very low32.3Very low97 Ų97125.1 Ų125.163%0.6370%0.696SS**  cis-140.5-170.2-23.941.7-22.1000116.7
710D31.4Very low32.4Very low146 Ų146124.7 Ų124.778%0.78169%0.693SS**  trans86.7119.5144.5-73.7-13.4000126.6
711V30.9Very low32.5Very low113 Ų113122.4 Ų122.469%0.68568%0.675SS**  trans35.3113.6144.9-153.60000121
712Y32.4Very low32.9Very low205 Ų205123.4 Ų123.480%0.80467%0.669SS**  -176.9144.5109-112.9-99000113.2
713L33.9Very low32.8Very low153 Ų153123.5 Ų123.580%0.80168%0.678SS**  trans21.9136.1163.4-64173.1000124.2
714N26.4Very low33.1Very low153 Ų153121.2 Ų121.282%0.81867%0.665SS**  trans-70.1170.2154.4-55.7-74.6000112
715P39.1Very low32.3Very low107 Ų107127.7 Ų127.770%0.69568%0.68SS**  cis-121.7-164.3-26.534.1-14.5000110.9
716P32.1Very low32.7Very low128 Ų128122.4 Ų122.483%0.83167%0.674SS**  -141.1136.496.336.2-22.7000115.2
717S24.1Very low32.7Very low99 Ų99123.8 Ų123.869%0.69268%0.684SS**  trans-83.1138.7154.152.80000110.2
718M35.3Very low32.9Very low170 Ų170124.5 Ų124.584%0.83769%0.687SS**  trans-175.297.8147.7-89.9-63.4-76.800105.2
719S29.5Very low33.1Very low78 Ų78121.3 Ų121.355%0.54568%0.677SS.*  70.5115.963.480.60000115.4
720T30.3Very low32.8Very low116 Ų116118.1 Ų118.171%0.71266%0.661SS**  trans60.3129.4143.158.20000119.9
721L35.3Very low33.1Very low86 Ų86120 Ų12045%0.4566%0.657SS.*  -157.8138.394.2-81.6153.4000106.2G730 R731 S732 R733L721-G730 WeakPolarHBondContact CD1-O 3.44Å; L721-G730 WeakPolarHBondContact CD2-O 3.43Å; L721-R731 CarbonylContact C-O 3.35Å; L721-R731 WeakPolarHBondContact CB-O 3.46Å; L721-S732 CarbonylContact O-C 2.99Å; L721-S732 VanDerWaalsContact O-C 3.28Å; L721-R733 PolarHBondContact O-N 3.19Å
722Q36.3Very low33.3Very low121 Ų121116.5 Ų116.557%0.56564%0.638SS**  cis85.198.332.2-156.8-15959.300113.1Q724 R731 S732Q722-Q724 HydrophobicContact CG-CG 3.99Å; Q722-Q724 VanDerWaalsContact O-CD 3.22Å; Q722-Q724 WeakPolarHBondContact O-CG 3.4Å; Q722-Q724 PolarHBondContact O-NE2 2.86Å; Q722-R731 CarbonylContact O-C 3.45Å; Q722-R731 WeakPolarHBondContact O-CA 3.49Å; Q722-R731 PolarHBondContact O-N 3.25Å; Q722-S732 VanDerWaalsContact C-N 3.33Å; Q722-S732 PolarHBondContact O-N 3.39Å
723S31.4Very low33.1Very low76 Ų76115.8 Ų115.853%0.53163%0.634SS.*  trans-122.6115.6153-156.50000106.3
724Q37.6Very low32.9Very low57 Ų57116.8 Ų116.827%0.26664%0.637SS.*  cis67.8145.941.2-46.1170.68.400111.9Q722 C729 G730Q722-Q724 HydrophobicContact CG-CG 3.99Å; Q722-Q724 VanDerWaalsContact O-CD 3.22Å; Q722-Q724 WeakPolarHBondContact O-CG 3.4Å; Q722-Q724 PolarHBondContact O-NE2 2.86Å; Q724-C729 PolarHBondContact NE2-O 3.14Å; Q724-C729 PolarHBondContact OE1-O 3.03Å; Q724-C729 VanDerWaalsContact OE1-O 3.09Å; Q724-G730 VanDerWaalsContact NE2-C 3.29Å; Q724-G730 PolarHBondContact NE2-O 3.09Å; Q724-G730 VanDerWaalsContact OE1-N 3.07Å
725R30.1Very low32.9Very low207 Ų207116.7 Ų116.778%0.78163%0.632SS**  cis-136.5161.433-78.1178175.5-175.2-1.5112.1
726S38Very low32.1Very low90 Ų90119.9 Ų119.963%0.62964%0.642SS**SBendcis-170.8151.2-11.148.60000107.2
727S29.8Very low31.8Very low118 Ų118121 Ų12183%0.82564%0.64SS**SBend-113.1135.555.9410000114.6
728L35.2Very low31.8Very low138 Ų138125.9 Ų125.972%0.72365%0.645SS**SBendcis-154.6146.5-3.1-147.878.2000112
729C35.3Very low31.4Very low90 Ų90122.7 Ų122.761%0.60864%0.635SS**  trans73.9133.9163.5-69.10000122.5Q724Q724-C729 PolarHBondContact NE2-O 3.14Å; Q724-C729 PolarHBondContact OE1-O 3.03Å; Q724-C729 VanDerWaalsContact OE1-O 3.09Å
730G35.4Very low31.2Very low30 Ų30125.5 Ų125.531%0.30964%0.643SS.*  trans-46.9167.4-163.800000120.7L721 Q724L721-G730 WeakPolarHBondContact CD1-O 3.44Å; L721-G730 WeakPolarHBondContact CD2-O 3.43Å; Q724-G730 VanDerWaalsContact NE2-C 3.29Å; Q724-G730 PolarHBondContact NE2-O 3.09Å; Q724-G730 VanDerWaalsContact OE1-N 3.07Å
731R37.3Very low31.3Very low184 Ų184126.1 Ų126.169%0.69464%0.642SS**  cis-165.8143.7-3.3-165.9-154.6135.3173-5.5113L721 Q722L721-R731 CarbonylContact C-O 3.35Å; L721-R731 WeakPolarHBondContact CB-O 3.46Å; Q722-R731 CarbonylContact O-C 3.45Å; Q722-R731 WeakPolarHBondContact O-CA 3.49Å; Q722-R731 PolarHBondContact O-N 3.25Å
732S33.7Very low30.9Very low41 Ų41128.3 Ų128.329%0.28765%0.65SS.*  trans1.1130.7163.563.80000121.4L721 Q722L721-S732 CarbonylContact O-C 2.99Å; L721-S732 VanDerWaalsContact O-C 3.28Å; Q722-S732 VanDerWaalsContact C-N 3.33Å; Q722-S732 PolarHBondContact O-N 3.39Å
733R28.6Very low30.6Very low190 Ų190124.7 Ų124.772%0.71764%0.635SS**  59.7120.875.7-173.8-173.1-173.7-179.73.6116.4L721L721-R733 PolarHBondContact O-N 3.19Å
734M29.6Very low30.5Very low174 Ų174121.7 Ų121.786%0.85761%0.612SS**  trans-165.1158.6132.9-14858.6173.900112.2
735E26.3Very low30.1Very low151 Ų151124.5 Ų124.571%0.70662%0.621SS**  trans-100.9172.5173-72153.6105.500111.3L737E735-L737 PolarHBondContact O-N 2.85Å
736L23.7Very low30Very low174 Ų174119.6 Ų119.691%0.91161%0.614SS**  trans-68120.9173.9-115.478.5000111.3
737L24.6Very low29.6Very low151 Ų151122.2 Ų122.279%0.79162%0.621SS**  trans-150.7134.1155.7-83.3-176.6000110E735E735-L737 PolarHBondContact O-N 2.85Å
738Y25Very low29.5Very low202 Ų202123.5 Ų123.579%0.79261%0.612SS**  trans62.8112160.2-79.9-109.1000116.9
739V26.7Very low29.6Very low103 Ų103118.8 Ų118.862%0.62459%0.589SS**  91119.170.91560000110.7
740D25.5Very low29.2Very low136 Ų136121.9 Ų121.973%0.72759%0.588SS**  trans44.2133.5146.3-49.6-7.3000118.5
741N30.9Very low28.8Very low130 Ų130126.3 Ų126.370%0.69561%0.613SS**  cis-151.7148.526.7-109.5-24.8000109.4
742E27.1Very low28.4Very low131 Ų131127.4 Ų127.461%0.61262%0.623SS**  57.8138.3105.6-71.7-134.6122.400115.1F323 F324F323-E742 CarbonylContact C-O 3.22Å; F323-E742 CarbonylContact O-C 3.59Å; F323-E742 VanDerWaalsContact O-O 3.08Å; F324-E742 PolarHBondContact N-O 3.43Å
743L31.4Very low28.2Very low46 Ų46133.3 Ų133.324%0.24165%0.65CS.*  cis178.1-138.816.4176.553.7000109.8Q320 P321 F323 F324 N325Q320-L743 VanDerWaalsContact OE1-CD1 3.25Å; P321-L743 VanDerWaalsContact C-CD2 3.43Å; P321-L743 WeakPolarHBondContact O-CD2 3.38Å; F323-L743 PolarHBondContact O-N 2.91Å; F324-L743 CarbonylContact C-O 3.4Å; F324-L743 VanDerWaalsContact CA-O 3.3Å; F324-L743 WeakPolarHBondContact CA-O 3.31Å; F324-L743 PolarHBondContact O-N 3.06Å; N325-L743 PolarHBondContact N-O 2.66Å
744D28.4Very low28.1Very low12 Ų12129.1 Ų129.16%0.06465%0.65CS.*  trans-29.4162.7-177.6-82.3-20.9000121Q320 P321 I322 F323 F324 N325Q320-D744 WeakPolarHBondContact CG-OD1 3.3Å; Q320-D744 PolarHBondContact NE2-OD1 3.28Å; Q320-D744 PolarHBondContact OE1-OD1 3.2Å; Q320-D744 VanDerWaalsContact OE1-OD1 3.07Å; P321-D744 WeakPolarHBondContact CA-OD2 3.36Å; P321-D744 WeakPolarHBondContact CB-OD2 3.46Å; I322-D744 PolarHBondContact N-OD2 3.28Å; F323-D744 WeakPolarHBondContact CA-O 3.47Å; F323-D744 HydrophobicContact CD1-CB 3.76Å; F323-D744 WeakPolarHBondContact CD1-O 3.24Å; F323-D744 HydrophobicContact CD2-CB 4.24Å; F323-D744 HydrophobicContact CE1-CB 3.84Å; F323-D744 HydrophobicContact CE2-CB 4.27Å; F323-D744 HydrophobicContact CG-CB 3.98Å; F323-D744 HydrophobicContact CZ-CB 4.08Å; F323-D744 VanDerWaalsContact N-N 3.16Å; F324-D744 VanDerWaalsContact CA-O 3.28Å; F324-D744 WeakPolarHBondContact CA-O 3.36Å; N325-D744 VanDerWaalsContact CA-O 3.27Å; N325-D744 WeakPolarHBondContact CA-O 3.3Å; N325-D744 CarbonylContact O-C 3.28Å; N325-D744 VanDerWaalsContact O-C 3.22Å
745R30.4Very low28.2Very low116 Ų116126.5 Ų126.544%0.43864%0.644SS.*  cis-154.3156.46.8-134.1171.5-96.1175.1-4113F323 N325F323-R745 HydrophobicContact CE1-CB 3.73Å; F323-R745 HydrophobicContact CZ-CB 4.1Å; N325-R745 PolarHBondContact O-N 2.79Å
746T27.5Very low28.4Very low105 Ų105126.8 Ų126.864%0.64465%0.65SS**  trans-11.8129.3154.159.90000118.3
747N30.2Very low28.5Very low144 Ų144121.9 Ų121.977%0.7764%0.642SS**  -178-179.795.3-105.3-26.4000115.4
748K27.6Very low28.9Very low146 Ų146121.9 Ų121.964%0.63564%0.641SS**  trans-112.2-172.8-168-97.3-174.6150.2-138.80110T330 N331T330-K748 WeakPolarHBondContact O-CE 3.3Å; T330-K748 PolarHBondContact O-NZ 3.15Å; N331-K748 WeakPolarHBondContact OD1-CD 3.34Å; N331-K748 PolarHBondContact OD1-NZ 3.18Å
749P35.5Very low29.2Very low39 Ų39118.9 Ų118.925%0.25364%0.637SS.*  -117.4-101.2-84.8-13.140.8000122.2I329 T330 N331I329-P749 WeakPolarHBondContact CD1-O 3.1Å; I329-P749 HydrophobicContact CG1-CB 3.82Å; T330-P749 VanDerWaalsContact C-CB 3.47Å; T330-P749 VanDerWaalsContact O-CG 3.24Å; T330-P749 WeakPolarHBondContact O-CG 3.41Å; N331-P749 HydrophobicContact CB-CB 3.9Å; N331-P749 HydrophobicContact CB-CG 3.28Å; N331-P749 VanDerWaalsContact CG-CD 3.41Å; N331-P749 VanDerWaalsContact ND2-CD 3.3Å; N331-P749 WeakPolarHBondContact ND2-CD 3.34Å
750R27.9Very low29.4Very low155 Ų155119 Ų11959%0.58564%0.642SS**  -138.396.4-116.5-172.8-164.2-140.6-172.36.5114.8I329I329-R750 HydrophobicContact CD1-CB 4.25Å; I329-R750 HydrophobicContact CD1-CG 4.45Å; I329-R750 HydrophobicContact CG1-CB 4.19Å
751C26.8Very low29.8Very low122 Ų122116.2 Ų116.282%0.82463%0.634SS**  trans-112.3137.2160.4-67.10000111.5
752K28.9Very low29.9Very low208 Ų208113.7 Ų113.790%0.90463%0.626SS**  trans-81.5131.4154.7-70.4178.8178.2177.90107.1
753L29.8Very low30.1Very low165 Ų165112.6 Ų112.686%0.86463%0.625SS**  trans-145.9112.9156.5-110.3167.3000108.4
754S25.8Very low31Very low101 Ų101118.3 Ų118.371%0.70666%0.655SS**  trans-98.4136.2165.850.60000108.4
755T32.9Very low31.7Very low120 Ų120119.8 Ų119.874%0.73667%0.673SS**  trans-166.5118.2137.818.10000111.8
756N29.1Very low32Very low156 Ų156122.2 Ų122.283%0.83469%0.689SS**  41.4131.7125.2-50.80.2000120.9
757G27.1Very low32.3Very low72 Ų72123.8 Ų123.874%0.74269%0.694SS**  trans108.9150.4152.600000115.1
758I32Very low32.2Very low151 Ų151124.3 Ų124.377%0.77470%0.696SS**  cis-150.913714.3-106.9154.6000111.1
759I31.8Very low32.5Very low139 Ų139122.4 Ų122.471%0.71370%0.701SS**  trans30.9128.6138.7-34.4166000117.1
760S31.2Very low32.3Very low104 Ų104127.2 Ų127.273%0.72772%0.724SS**  170.815497.3-68.30000110.6
761S33.7Very low32.5Very low79 Ų79125 Ų12555%0.55273%0.728SS**  cis177.7161.2-9.349.50000110.6G765S761-G765 CarbonylContact C-O 3.29Å
762S33.7Very low32.8Very low76 Ų76126 Ų12653%0.53172%0.723SS.*  cis-171.5113.4-42.648.40000106.6L764 G765S762-L764 CarbonylContact C-O 3.21Å; S762-L764 VanDerWaalsContact C-O 3.29Å; S762-L764 PolarHBondContact N-O 2.8Å; S762-L764 CarbonylContact O-C 3.55Å; S762-L764 PolarHBondContact O-N 3.15Å; S762-G765 VanDerWaalsContact CA-O 3.29Å; S762-G765 WeakPolarHBondContact CA-O 3.43Å; S762-G765 PolarHBondContact N-O 2.9Å
763N30.8Very low33Very low108 Ų108122.4 Ų122.458%0.57871%0.714SS**SBendtrans-43.4110.7-141.5-145.86.7000116.4G765 E766 N767N763-G765 PolarHBondContact OD1-N 3.17Å; N763-E766 WeakPolarHBondContact CB-O 3.44Å; N763-E766 PolarHBondContact N-O 2.97Å; N763-E766 PolarHBondContact OD1-N 3.2Å; N763-N767 PolarHBondContact ND2-OD1 2.86Å
764L49.2Very low33Very low167 Ų167119.1 Ų119.187%0.87471%0.705SS**SBendcis-41.9111.54.5-77.452.7000115.2S762S762-L764 CarbonylContact C-O 3.21Å; S762-L764 VanDerWaalsContact C-O 3.29Å; S762-L764 PolarHBondContact N-O 2.8Å; S762-L764 CarbonylContact O-C 3.55Å; S762-L764 PolarHBondContact O-N 3.15Å
765G43.8Very low33.1Very low43 Ų43121 Ų12144%0.44371%0.707SS.*SBendtrans98.455.3-171.200000115.7S761 S762 N763S761-G765 CarbonylContact C-O 3.29Å; S762-G765 VanDerWaalsContact CA-O 3.29Å; S762-G765 WeakPolarHBondContact CA-O 3.43Å; S762-G765 PolarHBondContact N-O 2.9Å; N763-G765 PolarHBondContact OD1-N 3.17Å
766E37.7Very low33Very low167 Ų167122.7 Ų122.778%0.7871%0.706SS**SBendtrans70.9147.9167.7-53.2-174.6169.500117.5N763N763-E766 WeakPolarHBondContact CB-O 3.44Å; N763-E766 PolarHBondContact N-O 2.97Å; N763-E766 PolarHBondContact OD1-N 3.2Å
767N32.5Very low32.7Very low138 Ų138120 Ų12074%0.73870%0.698SS**  trans-84.2144.2-160.5-65.4-38.5000114.5N763N763-N767 PolarHBondContact ND2-OD1 2.86Å
768L28.6Very low32.7Very low155 Ų155124.2 Ų124.281%0.81270%0.697SS**  trans-149.8125.9174.5-119.3171.8000111
769S33.7Very low32.5Very low106 Ų106119.2 Ų119.274%0.74168%0.675SS**  trans170.9147.1162.322.60000109.9
770D31.9Very low32.2Very low140 Ų140116.9 Ų116.975%0.74967%0.667SS**  cis-165.6166.2-19.9-119.9-32.6000112.8
771V31.8Very low32Very low109 Ų109116.6 Ų116.666%0.66165%0.654SS**  trans67.6105.1138.7166.40000121.9
772I32.2Very low31.6Very low142 Ų142117.6 Ų117.673%0.72865%0.65SS**  90.5138.9122.3-71-173.2000123.9
773D34.5Very low31.2Very low133 Ų133119.1 Ų119.171%0.71166%0.656SS**  trans57.4111.1157.1-76.9-33000126
774S28.9Very low31.1Very low95 Ų95121.2 Ų121.266%0.66467%0.667SS**  55.9101101-48.20000121.5
775D27.6Very low30Very low141 Ų141117 Ų11775%0.75466%0.664SS**  78.1155127.1-109.8-47.8000123.9
776H30.3Very low29.4Very low156 Ų156120.1 Ų120.172%0.72269%0.685SS**  trans67.782.5158.7-60.7-2.4000121.5
777C24.5Very low29Very low98 Ų98115.2 Ų115.266%0.66268%0.68SS**  56.9144.6118.5-61.70000124.7
778F26.6Very low28.8Very low162 Ų162116.2 Ų116.271%0.71169%0.685SS**  trans65.1173.4165.7-56.7-70.2000118R362R362-F778 VanDerWaalsContact NE-C 3.32Å; R362-F778 PolarHBondContact NE-O 2.7Å; R362-F778 PolarHBondContact NH2-O 3.03Å
779S26.7Very low28.6Very low46 Ų46115 Ų11532%0.32268%0.68SS.*  trans66.3136.3176.5-53.50000119.1R362 K363R362-S779 VanDerWaalsContact CD-O 3.23Å; R362-S779 WeakPolarHBondContact CD-O 3.47Å; R362-S779 WeakPolarHBondContact CG-O 3.49Å; R362-S779 VanDerWaalsContact CZ-O 3.3Å; R362-S779 PolarHBondContact NE-O 3.49Å; R362-S779 PolarHBondContact NH2-O 3.37Å; R362-S779 PolarHBondContact O-N 3.37Å; K363-S779 VanDerWaalsContact CE-OG 3.24Å; K363-S779 WeakPolarHBondContact CE-OG 3.34Å; K363-S779 PolarHBondContact NZ-OG 2.87Å
780V27.2Very low28.2Very low89 Ų89121 Ų12154%0.53969%0.686SS.*  cis-126.4-111.7-5.6-164.20000112.1R362 K363R362-V780 CarbonylContact C-O 3.58Å; K363-V780 HydrophobicContact CD-CG1 4.42Å; K363-V780 PolarHBondContact N-O 2.9Å
781Q25.7Very low27.9Very low98 Ų98118.7 Ų118.746%0.45868%0.681SS.*  trans-153.3174.9-164.1-155.2142.316.900117Y361Y361-Q781 VanDerWaalsContact CD1-CA 3.41Å; Y361-Q781 WeakPolarHBondContact CE1-O 3.45Å
782H25.1Very low27.6Very low100 Ų100120.8 Ų120.846%0.46369%0.688SS.*  trans-29.3136.3174.7-56.3-43.4000119.6Y361Y361-H782 AromaticContact CD2-CE1 3.89Å; Y361-H782 AromaticContact CD2-ND1 3.36Å; Y361-H782 WeakPolarHBondContact CD2-ND1 3.39Å
783T26Very low27.3Very low109 Ų109119.3 Ų119.367%0.66969%0.685SS**  82.5161.5108.569.10000114.2
784N29.1Very low26.9Very low152 Ų152119.9 Ų119.981%0.81369%0.688SS**  cis-132.3162.226.4-54.8-60000111.9
785G25.9Very low27Very low77 Ų77123.1 Ų123.179%0.79469%0.692SS**  111.9162.486.800000108.9
786A30.5Very low27Very low109 Ų109123 Ų12390%0.90169%0.691SS**  cis-109.9-161.1-4.300000108.9
787G28.8Very low26.9Very low65 Ų65121.2 Ų121.267%0.6769%0.691SS**  cis131.6108.113.900000109.3
788D28.1Very low27Very low158 Ų158123.3 Ų123.385%0.84569%0.694SS**  trans33.2106.6152.7-57.4-20.1000120.9
789N25.3Very low27Very low131 Ų131124.4 Ų124.470%0.70170%0.699SS**  68.4118.6117-123.59.3000119.7
790W25.3Very low27Very low232 Ų232127.6 Ų127.688%0.87972%0.718SS**  trans69.9148.8171.6-45.294.3000114.4
791S24.9Very low26.8Very low90 Ų90130.8 Ų130.863%0.62973%0.728SS**  cis-160.6155.9-0.347.10000111.4
792L27.4Very low26.9Very low154 Ų154132 Ų13281%0.80674%0.744SS**  trans65.3144.4159.4-89.178.1000115.4
793V24Very low26.9Very low111 Ų111135 Ų13567%0.67376%0.758SS**  cis71.2118.637-178.70000109.9
794D26.4Very low27.2Very low145 Ų145136 Ų13678%0.77576%0.764SS**  cis-124-159.221.2-98.8-54.1000110.1
795E30.6Very low27.2Very low162 Ų162136.7 Ų136.776%0.75777%0.767SS**  cis-148.1140.220.9-75.9-172.112100113.5
796L27.7Very low27.4Very low140 Ų140136.6 Ų136.673%0.73377%0.766SS**  trans53.2166.2130.8-59.5160000118.2
797V28.7Very low27.2Very low118 Ų118141 Ų14172%0.71577%0.765SS**  cis-157127.639.9167.90000110.5
798I27.8Very low27.3Very low141 Ų141144.1 Ų144.172%0.72377%0.771SS**  trans70.4137.3152.3-74.7170.7000119.6
799F25.7Very low27.2Very low185 Ų185146.9 Ų146.981%0.81177%0.77SS**  cis-172-168.5-19.5-125.3-149.9000110.1
800P27.1Very low27.5Very low113 Ų113146.9 Ų146.973%0.73477%0.77SS**  trans-91.5-173.8-163.538.2-38.8000117.7
801Q23.4Very low27.7Very low157 Ų157144.1 Ų144.173%0.73477%0.767SS**  trans-51.8161.3-177.2-64.8-179.7-23.600116.5
802P27.8Very low28Very low124 Ų124145.9 Ų145.981%0.80577%0.774SS**  -126.4172.2106.738-34.7000114.5
803Q24.1Very low27.9Very low161 Ų161147 Ų14775%0.75277%0.773SS**  trans-109.7135.3176-58.5174.19.300110.9
804T31.8Very low28.3Very low130 Ų130148.3 Ų148.380%0.79878%0.776SS**  trans-150.4117.5165.214.30000113.5
805L29.2Very low28.4Very low168 Ų168144.9 Ų144.988%0.8877%0.768SS**  trans24.7116.6142.7-65.9162.2000119.7
806G29.9Very low28.3Very low75 Ų75146.3 Ų146.377%0.77377%0.771SS**  trans-170.7103.1166.100000113.4
807F27.4Very low28.5Very low200 Ų200146.1 Ų146.188%0.87777%0.771SS**  trans-53.5151.1172.9-67.3-101.8000112.2
808V29.9Very low28.5Very low131 Ų131145.8 Ų145.879%0.79477%0.769SS**  cis-142.2160.521.7-1750000111.3
809R26.9Very low28.4Very low217 Ų217149 Ų14982%0.81977%0.774SS**  trans-36149158-70.8176.9172.2158.8-3.7114
810N32.1Very low28.6Very low130 Ų130148.3 Ų148.370%0.69577%0.773SS**  cis-152.5140.54.6-103.7-18.5000110.5
811Q30Very low28.5Very low174 Ų174149.2 Ų149.281%0.81377%0.767SS**  trans54.368.4157.7-59.2-173.94.100117.7
812T30.1Very low28.8Very low128 Ų128146.2 Ų146.279%0.78576%0.762SS**  17.4121.1123.318.90000117.4
813F26.1Very low28.7Very low178 Ų178148.3 Ų148.378%0.78177%0.765SS**  42.2128.853.5-72.8-88.4000112.5
814N31.6Very low29.2Very low138 Ų138145.4 Ų145.474%0.73876%0.76SS**  cis-142.915620.2-85.5-61.7000107.7
815A29.4Very low28.9Very low73 Ų73147.3 Ų147.360%0.60376%0.76SS**  cis71.9114.244.700000115.1
816K28.5Very low29.1Very low192 Ų192144.8 Ų144.884%0.83575%0.753SS**  trans69.4147.6162.7-59.9175.8-177.1174.70115.5
817N30.3Very low29Very low135 Ų135145.2 Ų145.272%0.72275%0.745SS**  cis-154.7153.40.4-117-0.1000111.4
818T29.1Very low29.2Very low112 Ų112142.5 Ų142.569%0.68774%0.738SS**  trans69136160.512.50000121.6
819Y26.2Very low29.1Very low207 Ų207142.2 Ų142.281%0.81273%0.732SS**  trans71.7143.4165.7-64.9-68.8000121.3
820H29.3Very low29.5Very low172 Ų172139.5 Ų139.580%0.79673%0.734SS**  trans67.289.6175.1-55.8-57.1000120.6
821Q24.8Very low29.2Very low131 Ų131137.3 Ų137.361%0.61273%0.734SS**  29.4136120.7176.2-172.588.100119.8
822P30.5Very low29.3Very low95 Ų95134.8 Ų134.862%0.61773%0.732SS**  cis-144.7159.517.437.4-16.5000119.9
823L26.7Very low29.1Very low168 Ų168133.5 Ų133.588%0.8873%0.728SS**  trans57.5169.6146.3-98.174.8000119.7
824P33.2Very low29.2Very low99 Ų99135.2 Ų135.264%0.64374%0.736SS**  trans-138.2-159.7-13740-16000116
825Q25.8Very low29.1Very low171 Ų171138.1 Ų138.180%0.79974%0.742SS**  trans79.3167.8169.7-44.3-169.7-6.200116.3
826P32.5Very low29Very low114 Ų114144.1 Ų144.174%0.7476%0.755SS**  cis-113.7-135.9-39.518.84000109.4
827S29.1Very low29.3Very low84 Ų84139.6 Ų139.659%0.58775%0.745SS**  cis172.5168.525.159.50000113.9
828L30.9Very low29.2Very low143 Ų143142.7 Ų142.775%0.74975%0.748SS**  trans67.4157157.3-52.7-175.9000116.3
829N29Very low29.1Very low125 Ų125146.8 Ų146.867%0.66876%0.759SS**  cis-160.2-171.2-17.2-107-2.8000107.4
830L34.9Very low29.1Very low161 Ų161143.2 Ų143.284%0.84375%0.754SS**  cis-142168.718.4-83.883000111.9
831A24.6Very low29.2Very low84 Ų84140.7 Ų140.769%0.69475%0.75SS**  trans-84.6-170.7160.800000111
832P32.6Very low29.4Very low120 Ų120140.9 Ų140.978%0.77976%0.756SS**  -120-139.353.316.610.1000111.5
833S26.8Very low29.4Very low101 Ų101142.8 Ų142.871%0.70676%0.76SS**  cis-158.9171.914.7-61.90000112.6
834F26.8Very low29.7Very low214 Ų214141 Ų14194%0.93975%0.752SS**  trans-116.7156.2171.5-79.2-101.5000111.6
835F30.3Very low29.6Very low199 Ų199145.8 Ų145.887%0.87376%0.763SS**  trans-110.8134.9177.6-106-84.3000113.4
836K26.9Very low29.8Very low200 Ų200141 Ų14187%0.8776%0.759SS**  trans-99124.2147.9-82.4-174.3175.7-178.30108.4
837P34.6Very low29.7Very low97 Ų97143.6 Ų143.663%0.6377%0.767SS**  trans-88155.8158.233.3-28.7000110.2
838Y29.2Very low29.6Very low199 Ų199146.8 Ų146.878%0.7878%0.777SS**  cis-152.9140.5-11.9-110.3-62.4000106.7L840Y838-L840 HydrophobicContact CD1-CD1 4.3Å; Y838-L840 HydrophobicContact CE1-CD1 4.18Å
839Q27.1Very low29.7Very low198 Ų198145.3 Ų145.393%0.92578%0.776SS**  trans-148.5143.2145.7-144.3158.30.600108
840L26.2Very low29.8Very low133 Ų133143.9 Ų143.970%0.69677%0.771SS**  trans-130176.5-170.6-99.7164.4000109Y838Y838-L840 HydrophobicContact CD1-CD1 4.3Å; Y838-L840 HydrophobicContact CE1-CD1 4.18Å
841T30Very low29.8Very low118 Ų118146.1 Ų146.172%0.72477%0.774SS**  trans73.6134.8179.170.80000115.3
842D29.7Very low30.1Very low136 Ų136148.1 Ų148.173%0.72777%0.773SS**  cis-157178.7-14.6-108.5-25.7000112.4
843D30.8Very low30.4Very low134 Ų134151.6 Ų151.672%0.71778%0.776SS**  trans62101.7160.9-63.6-31.3000120.1
844N32.5Very low30.8Very low131 Ų131155.6 Ų155.670%0.70178%0.784SS**SBend-171.6118.298.3-98.4-69.8000112.4
845F30.3Very low31.2Very low200 Ų200152.8 Ų152.888%0.87777%0.773SS**  trans48.6121.1165.3-50.7-75.8000119.5
846G31Very low31.6Very low70 Ų70151.4 Ų151.472%0.72277%0.769SS**  cis174-180-2.500000113.3
847N31.3Very low32.3Very low168 Ų168148.7 Ų148.790%0.89876%0.762SS**  trans6975.2168.8-60.8-5.9000119.5
848L26.2Very low32.8Very low152 Ų152146.8 Ų146.880%0.79675%0.752SS**  trans-67.6167.1133.4-86.8164.8000109.6V850L848-V850 HydrophobicContact CD2-CG2 4.15Å
849P32.6Very low33.5Very low112 Ų112141.2 Ų141.273%0.72774%0.735SS**  cis-147.4143.132.839.4-17.4000120.5
850V31.8Very low34.2Very low94 Ų94139.5 Ų139.557%0.5773%0.726SS**  51.4119.1123.2-169.20000120.5L848L848-V850 HydrophobicContact CD2-CG2 4.15Å
851K33.7Very low35.2Very low208 Ų208139.1 Ų139.190%0.90472%0.721SS**  -165.7115.4112.8-104.5168.4-169.7169.20114
852D31.9Very low35.8Very low127 Ų127139.7 Ų139.768%0.67972%0.715SS**  trans-86.7153.2-170.8-41.1-102.3000114.9
853K38.9Very low36.3Very low192 Ų192137.7 Ų137.784%0.83571%0.705SS**  167.368.1117.6-88.4152.1-171.6170.80114.9H855K853-H855 PolarHBondContact O-N 3.45Å
854E34.5Very low36.8Very low186 Ų186141.4 Ų141.487%0.86971%0.708SS**  trans-75.140.5171.6-61.7-168.2106.300114.4
855H35.5Very low37.2Very low154 Ų154143.4 Ų143.471%0.71371%0.706SS**  trans-11616.4-159-94.735.1000117.9K853K853-H855 PolarHBondContact O-N 3.45Å
856H38.7Very low37.5Very low170 Ų170136.9 Ų136.979%0.78769%0.689SS**SBendtrans-127.7-8.6172.8-78.4-52000117
857I42.6Very low37.9Very low143 Ų143140.1 Ų140.173%0.73369%0.689SS**SBendtrans-89.2-28.5-177.6-63.7175000112.6I859I857-I859 VanDerWaalsContact C-N 3.34Å; I857-I859 PolarHBondContact O-N 2.92Å
858S44Very low38.1Very low58 Ų58136.2 Ų136.241%0.40668%0.675SS.*Hα-helixtrans-60.1-35.8-176.352.70000114.6Q860 Q861 Q862S858-Q860 PolarHBondContact O-N 2.78Å; S858-Q861 PolarHBondContact O-N 3.33Å; S858-Q862 PolarHBondContact O-N 2.8Å
859I44.4Very low38.8Very low82 Ų82136 Ų13642%0.42167%0.674SS.*Hα-helixtrans-67.5-35.8-169.7-59.8174.9000112.4I857 L863I857-I859 VanDerWaalsContact C-N 3.34Å; I857-I859 PolarHBondContact O-N 2.92Å; I859-L863 PolarHBondContact O-N 3.29Å
860Q42.5Very low39.1Very low161 Ų161135.2 Ų135.275%0.75267%0.671SS**Hα-helixtrans-75.2-30.4180-77.3-167.7-19.800113.4S858S858-Q860 PolarHBondContact O-N 2.78Å
861Q45.7Very low39.1Very low126 Ų126135.6 Ų135.659%0.58968%0.678SS**Hα-helixtrans-69.5-36.1173.9-71.5-165.11.200112.1S858 L863 R864 R865S858-Q861 PolarHBondContact O-N 3.33Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.99Å; Q861-R864 PolarHBondContact O-N 3.19Å; Q861-R865 PolarHBondContact O-N 3.22Å; Q861-R865 VanDerWaalsContact O-N 3.15Å
862Q42.3Very low39.2Very low129 Ų129137 Ų13760%0.60368%0.677SS**Hα-helixtrans-60.5-41.3177.1-71.3175.4-9.800112S858 R865 A866S858-Q862 PolarHBondContact O-N 2.8Å; Q862-R865 PolarHBondContact O-N 3.34Å; Q862-A866 PolarHBondContact O-N 3.25Å
863L40.7Very low39.6Very low95 Ų95142.7 Ų142.750%0.49769%0.69SS.*Hα-helixtrans-66.6-37.8179.3-79.2163.9000113.7I859 Q861 A866 L867I859-L863 PolarHBondContact O-N 3.29Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.99Å; L863-A866 PolarHBondContact O-N 2.89Å; L863-L867 PolarHBondContact O-N 3.43Å
864R41.2Very low39.8Very low211 Ų211143 Ų14380%0.79669%0.691SS**Hα-helixtrans-70.9-30.9173.7-89.1-172.2172.4-173.9-1.3113.1Q861 S868Q861-R864 PolarHBondContact O-N 3.19Å; R864-S868 PolarHBondContact O-OG 3.03Å
865R42.3Very low40.2Very low174 Ų174139 Ų13966%0.65768%0.684SS**Hα-helixtrans-69.7-38171.4-71.7-175.4178.9-174.81.7112Q861 Q862 L867 S868 L869Q861-R865 PolarHBondContact O-N 3.22Å; Q861-R865 VanDerWaalsContact O-N 3.15Å; Q862-R865 PolarHBondContact O-N 3.34Å; R865-L867 PolarHBondContact O-N 2.87Å; R865-S868 PolarHBondContact O-N 2.91Å; R865-S868 PolarHBondContact O-OG 3.13Å; R865-L869 WeakPolarHBondContact O-CG 3.41Å
866A35.9Very low40.7Very low62 Ų62137.7 Ų137.751%0.51269%0.689SS.*Hα-helixtrans-61.2-40.9176.800000113.2Q862 L863 S868Q862-A866 PolarHBondContact O-N 3.25Å; L863-A866 PolarHBondContact O-N 2.89Å; A866-S868 PolarHBondContact O-N 2.89Å
867L39.4Very low41.2Very low138 Ų138137.3 Ų137.372%0.72368%0.68SS**Hα-helixtrans-76.9-17-177.8-69.1172.7000114.6L863 R865L863-L867 PolarHBondContact O-N 3.43Å; R865-L867 PolarHBondContact O-N 2.87Å
868S36.4Very low42.3Very low87 Ų87133.3 Ų133.361%0.60867%0.665SS**Hα-helixtrans-92.5-13-179.639.20000114R864 R865 A866R864-S868 PolarHBondContact O-OG 3.03Å; R865-S868 PolarHBondContact O-N 2.91Å; R865-S868 PolarHBondContact O-OG 3.13Å; A866-S868 PolarHBondContact O-N 2.89Å
869L39Very low43.1Very low146 Ų146136.3 Ų136.376%0.76468%0.676SS**SBendtrans-93-14.6-176.1-71169.8000114.9R865R865-L869 WeakPolarHBondContact O-CG 3.41Å
870S39.4Very low44.3Very low96 Ų96138.4 Ų138.467%0.67169%0.688SS**SBendtrans-87-13-174.158.80000115.2
871S33.2Very low45.7Very low102 Ų102135.1 Ų135.171%0.71367%0.672SS**SBendtrans-112.519.7-165-164.90000116
872R35.5Very low47Very low237 Ų237134.8 Ų134.889%0.89467%0.671SS**  trans-130.576.7167.1-79.2-167.2172.8-165-2111.8K874R872-K874 PolarHBondContact O-N 3.35Å
873R39.8Very low48.4Very low248 Ų248131.9 Ų131.994%0.93666%0.659SS**  trans-62.9105.4161.2-75.2-175.8174.9-179.4-2.4108.9
874K43.4Very low50Low198 Ų198131.1 Ų131.186%0.86165%0.653SS**PPolyproline II helixtrans-63.6151.4156.3-65-178.7179.4179.70108R872R872-K874 PolarHBondContact O-N 3.35Å
875S41.6Very low51.8Low103 Ų103123.5 Ų123.572%0.7263%0.632SS**PPolyproline II helixtrans-58.2154.1179.146.50000111.7R877S875-R877 PolarHBondContact O-N 3.27Å
876P46.3Very low53.5Low126 Ų126120.3 Ų120.382%0.81863%0.627SS**PPolyproline II helixtrans-55.6135.5167.926.1-34.2000109.4
877R48.8Very low55.4Low162 Ų162118.1 Ų118.161%0.61161%0.606SS**PPolyproline II helixtrans-70158.9170.6-86.2177.6163170.3-3.2110S875 E881S875-R877 PolarHBondContact O-N 3.27Å; R877-E881 HydrophobicContact CB-CB 3.89Å; R877-E881 HydrophobicContact CG-CB 4.15Å; R877-E881 IonicContact NE-OE1 2.68Å
878S65.8Low57.2Low59 Ų59115.1 Ų115.141%0.41359%0.591SS.*PPolyproline II helixtrans-66.3154.7170.162.70000111.1N880 E881 E882S878-N880 PolarHBondContact O-N 2.8Å; S878-E881 WeakPolarHBondContact CB-OE2 3.37Å; S878-E881 PolarHBondContact N-OE2 3.31Å; S878-E881 WeakPolarHBondContact O-CB 3.47Å; S878-E881 PolarHBondContact O-N 3.47Å; S878-E881 VanDerWaalsContact OG-CG 3.3Å; S878-E881 WeakPolarHBondContact OG-CG 3.44Å; S878-E881 PolarHBondContact OG-N 3.25Å; S878-E881 PolarHBondContact OG-OE2 3.12Å; S878-E882 PolarHBondContact O-N 3.33Å
879L62.1Low59.4Low121 Ų121116.5 Ų116.563%0.63459%0.586SS**Hα-helixtrans-59.2-31.9-179.7-175.2146.8000112.1E882 I883L879-E882 PolarHBondContact O-N 2.87Å; L879-I883 HydrophobicContact CD2-CD1 3.56Å; L879-I883 HydrophobicContact CD2-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CG1 3.49Å; L879-I883 PolarHBondContact O-N 2.81Å
880N68.9Low61.1Low126 Ų126112 Ų11267%0.67456%0.561SS**Hα-helixtrans-70.9-37.4174-69.33.9000112.7S878 E882 Q884S878-N880 PolarHBondContact O-N 2.8Å; N880-E882 VanDerWaalsContact C-N 3.31Å; N880-Q884 VanDerWaalsContact O-CB 3.23Å; N880-Q884 WeakPolarHBondContact O-CB 3.39Å; N880-Q884 PolarHBondContact O-N 2.74Å
881E71.8Confident62.6Low91 Ų91113.1 Ų113.143%0.42555%0.551SS.*Hα-helixtrans-68.8-29.5171.3-75.1170101.100112.3R877 S878 S885R877-E881 HydrophobicContact CB-CB 3.89Å; R877-E881 HydrophobicContact CG-CB 4.15Å; R877-E881 IonicContact NE-OE1 2.68Å; S878-E881 WeakPolarHBondContact CB-OE2 3.37Å; S878-E881 PolarHBondContact N-OE2 3.31Å; S878-E881 WeakPolarHBondContact O-CB 3.47Å; S878-E881 PolarHBondContact O-N 3.47Å; S878-E881 VanDerWaalsContact OG-CG 3.3Å; S878-E881 WeakPolarHBondContact OG-CG 3.44Å; S878-E881 PolarHBondContact OG-N 3.25Å; S878-E881 PolarHBondContact OG-OE2 3.12Å; E881-S885 WeakPolarHBondContact O-CB 3.25Å; E881-S885 PolarHBondContact O-N 3.4Å
882E73.2Confident64.6Low119 Ų119115.8 Ų115.856%0.55655%0.552SS**Hα-helixtrans-72.5-47.1174.9-171.4161.2-142.800110.9S878 L879 N880 Q884 S885 I886S878-E882 PolarHBondContact O-N 3.33Å; L879-E882 PolarHBondContact O-N 2.87Å; N880-E882 VanDerWaalsContact C-N 3.31Å; E882-Q884 PolarHBondContact O-N 2.86Å; E882-S885 CarbonylContact O-C 3.17Å; E882-S885 PolarHBondContact O-N 3.35Å; E882-I886 HydrophobicContact CG-CD1 4.19Å; E882-I886 VanDerWaalsContact O-CG1 3.26Å; E882-I886 WeakPolarHBondContact O-CG1 3.33Å; E882-I886 PolarHBondContact O-N 3.46Å
883I72.2Confident65.9Low68 Ų68110.7 Ų110.735%0.34954%0.54SS..Hα-helixtrans-60-45.1171.9-67.9175.1000111L879 S885 I886 M887 I900L879-I883 HydrophobicContact CD2-CD1 3.56Å; L879-I883 HydrophobicContact CD2-CG1 4.3Å; L879-I883 WeakPolarHBondContact O-CG1 3.49Å; L879-I883 PolarHBondContact O-N 2.81Å; I883-S885 PolarHBondContact O-N 3.27Å; I883-I886 PolarHBondContact O-N 2.96Å; I883-I886 VanDerWaalsContact O-N 3.13Å; I883-M887 HydrophobicContact CG2-CE 4.18Å; I883-M887 HydrophobicContact CG2-CG 4.5Å; I883-M887 HydrophobicContact CG2-SD 4.4Å; I883-M887 WeakPolarHBondContact O-CG 3.45Å; I883-M887 PolarHBondContact O-N 3.44Å; I883-I900 HydrophobicContact CG2-CD1 3.96Å
884Q74.1Confident67.5Low79 Ų79102 Ų10237%0.36952%0.515SS..Hα-helixtrans-62.2-43.3175.8-169.562.753.200111.2N880 E882 I886 M887 D888N880-Q884 VanDerWaalsContact O-CB 3.23Å; N880-Q884 WeakPolarHBondContact O-CB 3.39Å; N880-Q884 PolarHBondContact O-N 2.74Å; E882-Q884 PolarHBondContact O-N 2.86Å; Q884-I886 PolarHBondContact O-N 3.45Å; Q884-M887 PolarHBondContact O-N 2.78Å; Q884-M887 VanDerWaalsContact OE1-CE 3.22Å; Q884-D888 PolarHBondContact NE2-OD1 3.24Å; Q884-D888 WeakPolarHBondContact O-CB 3.29Å; Q884-D888 PolarHBondContact O-N 2.65Å
885S79.5Confident68.3Low51 Ų5195.3 Ų95.336%0.35750%0.502SS..Hα-helixtrans-65.6-23.8175.5-169.90000113.5E881 E882 I883 K889E881-S885 WeakPolarHBondContact O-CB 3.25Å; E881-S885 PolarHBondContact O-N 3.4Å; E882-S885 CarbonylContact O-C 3.17Å; E882-S885 PolarHBondContact O-N 3.35Å; I883-S885 PolarHBondContact O-N 3.27Å; S885-K889 VanDerWaalsContact O-CB 3.23Å; S885-K889 WeakPolarHBondContact O-CB 3.39Å; S885-K889 PolarHBondContact O-N 3.33Å
886I77.5Confident69.1Low107 Ų10795.9 Ų95.955%0.54950%0.495SS..Hα-helixtrans-78.1-42.4172.1-70.8162.3000110.5E882 I883 Q884 K889 H890E882-I886 HydrophobicContact CG-CD1 4.19Å; E882-I886 VanDerWaalsContact O-CG1 3.26Å; E882-I886 WeakPolarHBondContact O-CG1 3.33Å; E882-I886 PolarHBondContact O-N 3.46Å; I883-I886 PolarHBondContact O-N 2.96Å; I883-I886 VanDerWaalsContact O-N 3.13Å; Q884-I886 PolarHBondContact O-N 3.45Å; I886-K889 PolarHBondContact O-N 2.86Å; I886-H890 WeakPolarHBondContact O-CB 3.38Å; I886-H890 PolarHBondContact O-N 3.2Å
887M76.6Confident70.2Confident17 Ų1797.7 Ų97.78%0.08449%0.486CS..Hα-helixtrans-68.9-40.4176.4-67.5-172.9-56.900112.8I883 Q884 K889 H890 Y891 I900I883-M887 HydrophobicContact CG2-CE 4.18Å; I883-M887 HydrophobicContact CG2-CG 4.5Å; I883-M887 HydrophobicContact CG2-SD 4.4Å; I883-M887 WeakPolarHBondContact O-CG 3.45Å; I883-M887 PolarHBondContact O-N 3.44Å; Q884-M887 PolarHBondContact O-N 2.78Å; Q884-M887 VanDerWaalsContact OE1-CE 3.22Å; M887-K889 VanDerWaalsContact C-N 3.3Å; M887-K889 PolarHBondContact O-N 2.95Å; M887-H890 WeakPolarHBondContact O-CB 3.26Å; M887-H890 PolarHBondContact O-N 3.21Å; M887-Y891 WeakPolarHBondContact O-CB 3.4Å; M887-Y891 PolarHBondContact O-N 2.92Å; M887-I900 HydrophobicContact CE-CD1 3.77Å; M887-I900 HydrophobicContact CE-CG1 3.72Å; M887-I900 HydrophobicContact SD-CD1 4.13Å; M887-I900 HydrophobicContact SD-CG1 3.54Å; M887-I900 VanDerWaalsContact SD-CG1 3.54Å
888D76.8Confident70.7Confident75 Ų7594.4 Ų94.440%0.40148%0.479SS..Hα-helixtrans-62.8-41174.8-67.6-18.6000110.2Q884 Y891 E892Q884-D888 PolarHBondContact NE2-OD1 3.24Å; Q884-D888 WeakPolarHBondContact O-CB 3.29Å; Q884-D888 PolarHBondContact O-N 2.65Å; D888-Y891 WeakPolarHBondContact O-CB 3.36Å; D888-Y891 PolarHBondContact O-N 3.04Å; D888-E892 WeakPolarHBondContact O-CB 3.12Å; D888-E892 PolarHBondContact O-N 3.36Å
889K81.1Confident70.6Confident115 Ų11596.7 Ų96.750%0.549%0.49SS..Hα-helixtrans-71.2-33.7174.1-168.7176.8-178.7-174.90112.8S885 I886 M887 Y891 E892 M893S885-K889 VanDerWaalsContact O-CB 3.23Å; S885-K889 WeakPolarHBondContact O-CB 3.39Å; S885-K889 PolarHBondContact O-N 3.33Å; I886-K889 PolarHBondContact O-N 2.86Å; M887-K889 VanDerWaalsContact C-N 3.3Å; M887-K889 PolarHBondContact O-N 2.95Å; K889-Y891 VanDerWaalsContact C-N 3.33Å; K889-E892 PolarHBondContact O-N 2.99Å; K889-M893 HydrophobicContact CG-CE 4.18Å; K889-M893 HydrophobicContact CG-CG 4.36Å; K889-M893 HydrophobicContact CG-SD 4.17Å; K889-M893 WeakPolarHBondContact O-CB 3.25Å; K889-M893 VanDerWaalsContact O-CG 3.23Å; K889-M893 WeakPolarHBondContact O-CG 3.01Å; K889-M893 PolarHBondContact O-N 3.24Å
890H74.7Confident70.4Confident53 Ų5396.4 Ų96.425%0.24549%0.488CS..Hα-helixtrans-61.9-44.3171-178.2-78.5000110.6I886 M887 M893 T894 I896 M898I886-H890 WeakPolarHBondContact O-CB 3.38Å; I886-H890 PolarHBondContact O-N 3.2Å; M887-H890 WeakPolarHBondContact O-CB 3.26Å; M887-H890 PolarHBondContact O-N 3.21Å; H890-M893 PolarHBondContact O-N 3.11Å; H890-T894 PolarHBondContact CE1-OG1 3.07Å; H890-T894 VanDerWaalsContact CE1-OG1 3.28Å; H890-T894 PolarHBondContact ND1-OG1 3.23Å; H890-T894 WeakPolarHBondContact O-CB 3.39Å; H890-T894 WeakPolarHBondContact O-CG2 3.31Å; H890-T894 PolarHBondContact O-N 3.34Å; H890-T894 PolarHBondContact O-OG1 3.34Å; H890-I896 PolarHBondContact ND1-O 2.85Å; H890-M898 HydrophobicContact CB-CE 4.29Å
891Y71.4Confident69Low118 Ų11893.6 Ų93.646%0.46349%0.489SS..Hα-helixtrans-62-43.3174.7179.3-123.2000111.9M887 D888 K889 M893 G895 R897M887-Y891 WeakPolarHBondContact O-CB 3.4Å; M887-Y891 PolarHBondContact O-N 2.92Å; D888-Y891 WeakPolarHBondContact O-CB 3.36Å; D888-Y891 PolarHBondContact O-N 3.04Å; K889-Y891 VanDerWaalsContact C-N 3.33Å; Y891-M893 VanDerWaalsContact C-N 3.34Å; Y891-M893 PolarHBondContact O-N 3.42Å; Y891-G895 WeakPolarHBondContact CD2-O 3.39Å; Y891-G895 VanDerWaalsContact CE2-O 3.24Å; Y891-G895 WeakPolarHBondContact CE2-O 3.48Å; Y891-G895 VanDerWaalsContact O-CA 3.31Å; Y891-G895 WeakPolarHBondContact O-CA 3.2Å; Y891-G895 PolarHBondContact O-N 2.6Å; Y891-R897 HydrophobicContact CD2-CB 3.53Å; Y891-R897 HydrophobicContact CD2-CG 4.1Å; Y891-R897 HydrophobicContact CE2-CB 3.81Å; Y891-R897 HydrophobicContact CE2-CG 4.49Å; Y891-R897 HydrophobicContact CG-CB 4.12Å; Y891-R897 HydrophobicContact CG-CG 4.19Å
892E76.1Confident67.3Low158 Ų15895.2 Ų95.274%0.73851%0.51SS*.Hα-helixtrans-59.6-39.4173.7-173.9179.9-151.200112.8D888 K889D888-E892 WeakPolarHBondContact O-CB 3.12Å; D888-E892 PolarHBondContact O-N 3.36Å; K889-E892 PolarHBondContact O-N 2.99Å
893M62.6Low65.3Low130 Ų13092.5 Ų92.564%0.6451%0.514SS*.Hα-helixtrans-83.8-24.3-178.1-68.1-177.7-4900114.7K889 H890 Y891K889-M893 HydrophobicContact CG-CE 4.18Å; K889-M893 HydrophobicContact CG-CG 4.36Å; K889-M893 HydrophobicContact CG-SD 4.17Å; K889-M893 WeakPolarHBondContact O-CB 3.25Å; K889-M893 VanDerWaalsContact O-CG 3.23Å; K889-M893 WeakPolarHBondContact O-CG 3.01Å; K889-M893 PolarHBondContact O-N 3.24Å; H890-M893 PolarHBondContact O-N 3.11Å; Y891-M893 VanDerWaalsContact C-N 3.34Å; Y891-M893 PolarHBondContact O-N 3.42Å
894T72Confident63.2Low67 Ų6795.2 Ų95.241%0.41154%0.539SS..Hα-helixtrans-122.2-15.9-17165.20000114.7H890 I896H890-T894 PolarHBondContact CE1-OG1 3.07Å; H890-T894 VanDerWaalsContact CE1-OG1 3.28Å; H890-T894 PolarHBondContact ND1-OG1 3.23Å; H890-T894 WeakPolarHBondContact O-CB 3.39Å; H890-T894 WeakPolarHBondContact O-CG2 3.31Å; H890-T894 PolarHBondContact O-N 3.34Å; H890-T894 PolarHBondContact O-OG1 3.34Å; T894-I896 PolarHBondContact O-N 3.47Å; T894-I896 VanDerWaalsContact O-N 3.15Å; T894-I896 PolarHBondContact OG1-N 3.47Å; T894-I896 PolarHBondContact OG1-O 2.89Å
895G62.2Low60.9Low56 Ų5695.8 Ų95.858%0.57755%0.552SS**SBendtrans69.3-6.2-165.800000114.5Y891Y891-G895 WeakPolarHBondContact CD2-O 3.39Å; Y891-G895 VanDerWaalsContact CE2-O 3.24Å; Y891-G895 WeakPolarHBondContact CE2-O 3.48Å; Y891-G895 VanDerWaalsContact O-CA 3.31Å; Y891-G895 WeakPolarHBondContact O-CA 3.2Å; Y891-G895 PolarHBondContact O-N 2.6Å
896I57.9Low58.5Low115 Ų115100.7 Ų100.759%0.5957%0.569SS**  trans-97.6111.8-177.1-59.6173.7000109H890 T894 M898H890-I896 PolarHBondContact ND1-O 2.85Å; T894-I896 PolarHBondContact O-N 3.47Å; T894-I896 VanDerWaalsContact O-N 3.15Å; T894-I896 PolarHBondContact OG1-N 3.47Å; T894-I896 PolarHBondContact OG1-O 2.89Å; I896-M898 PolarHBondContact O-N 3.42Å; I896-M898 VanDerWaalsContact O-N 3.15Å
897R67.9Low56.2Low164 Ų164105.5 Ų105.562%0.61959%0.586SS**  trans-8295.1-177.2-164178.7-170.3-163.22.4110.5Y891 T899Y891-R897 HydrophobicContact CD2-CB 3.53Å; Y891-R897 HydrophobicContact CD2-CG 4.1Å; Y891-R897 HydrophobicContact CE2-CB 3.81Å; Y891-R897 HydrophobicContact CE2-CG 4.49Å; Y891-R897 HydrophobicContact CG-CB 4.12Å; Y891-R897 HydrophobicContact CG-CG 4.19Å; R897-T899 PolarHBondContact O-N 3.42Å
898M60.8Low54Low94 Ų94110.3 Ų110.346%0.46361%0.613SS.*  trans-64.8125.3167.1-64.8-156-60.200109.8H890 I896H890-M898 HydrophobicContact CB-CE 4.29Å; I896-M898 PolarHBondContact O-N 3.42Å; I896-M898 VanDerWaalsContact O-N 3.15Å
899T64.1Low51.5Low107 Ų107111.5 Ų111.566%0.65663%0.627SS**  trans-108.6140.4171.248.70000108.7R897 G901R897-T899 PolarHBondContact O-N 3.42Å; T899-G901 PolarHBondContact O-N 2.78Å; T899-G901 VanDerWaalsContact O-N 3.12Å
900I57.3Low49.1Very low114 Ų114111.8 Ų111.859%0.58564%0.638SS**  trans-71.5109.6167.3-57177.7000106.7I883 M887 S902I883-I900 HydrophobicContact CG2-CD1 3.96Å; M887-I900 HydrophobicContact CE-CD1 3.77Å; M887-I900 HydrophobicContact CE-CG1 3.72Å; M887-I900 HydrophobicContact SD-CD1 4.13Å; M887-I900 HydrophobicContact SD-CG1 3.54Å; M887-I900 VanDerWaalsContact SD-CG1 3.54Å; I900-S902 PolarHBondContact O-N 3.31Å
901G38.4Very low46.9Very low68 Ų68115.2 Ų115.270%0.70166%0.663SS**  trans-69.278.9173.800000111.4T899 G903T899-G901 PolarHBondContact O-N 2.78Å; T899-G901 VanDerWaalsContact O-N 3.12Å; G901-G903 PolarHBondContact O-N 2.88Å
902S36.4Very low45.1Very low124 Ų124116 Ų11687%0.86768%0.68SS**  trans-74.46416663.80000109.8I900I900-S902 PolarHBondContact O-N 3.31Å
903G31.3Very low42.8Very low62 Ų62117.4 Ų117.464%0.63968%0.684SS**  trans-159.4108.4-173.500000111.4G901G901-G903 PolarHBondContact O-N 2.88Å
904S27.6Very low41.1Very low125 Ų125115.6 Ų115.687%0.87468%0.684SS**  trans-65.9135.816050.30000110.5
905S27.6Very low39Very low91 Ų91122.9 Ų122.964%0.63671%0.706SS**  trans-179.5151.9130.3-1460000115.1
906Q28Very low37.5Very low154 Ų154125.8 Ų125.872%0.7271%0.707SS**  trans47110.2142.8-75.4154.7-34.700121.9
907K29.7Very low36.1Very low208 Ų208127 Ų12790%0.90471%0.714SS**  -144.8155.6117.2-68-165.3-178.8-178.20109.4
908N29.3Very low34.3Very low119 Ų119126.1 Ų126.164%0.63672%0.721SS**  -154.6165.6-67.6-95.4-1.6000108.7
909S26.1Very low33.1Very low99 Ų99131.1 Ų131.169%0.69274%0.741SS**  trans6.4140.1155.555.70000120.6
910T29.8Very low31.6Very low121 Ų121127.5 Ų127.574%0.74272%0.724SS**  cis-165.3135.915.81.60000114.7
911T29Very low30.3Very low126 Ų126127.4 Ų127.477%0.77373%0.725SS**  trans27.8119.8140.158.20000123.4
912T32.4Very low30Very low133 Ų133128.8 Ų128.882%0.81671%0.713SS**  trans-146151.1136.344.70000108.4
913K29.5Very low29.8Very low188 Ų188128.1 Ų128.182%0.81770%0.703SS**  cis-163.2137.2-29.2-124.8-179.9-178.5178.90106.8
914S26.4Very low29.6Very low93 Ų93127.1 Ų127.165%0.6569%0.694SS**  trans50.3138.3165.848.60000119.5
915Y27Very low29.7Very low220 Ų220127.2 Ų127.286%0.86368%0.684SS**  cis-102.4137.714.9-74.1-110.6000110.8
916I31.5Very low29.7Very low116 Ų116131.5 Ų131.560%0.59569%0.691SS**  cis91.29950-66.1162.8000112.6
917N28Very low29.9Very low141 Ų141130.5 Ų130.575%0.75470%0.696SS**  trans40.1138.4141.1-56.7-9.6000122.4
918L31.4Very low29.9Very low146 Ų146128.9 Ų128.976%0.76469%0.692SS**  -159.5103104.5-125.473.4000112.8
919F34.2Very low30.2Very low199 Ų199128.1 Ų128.187%0.87369%0.693SS**  trans57.3153.2166-50.5-68.8000119.7
920G32.6Very low30.4Very low30 Ų30128.2 Ų128.231%0.30969%0.694SS.*  cis168.6160.1-11.200000112.7S406S406-G920 WeakPolarHBondContact CB-O 3.16Å; S406-G920 PolarHBondContact OG-O 3.06Å
921L31.3Very low30.4Very low113 Ų113132.8 Ų132.859%0.59270%0.698SS**  trans57.4140.8159.8-59.6177.2000120.6S406 S407S406-L921 WeakPolarHBondContact CB-O 3.34Å; S406-L921 PolarHBondContact OG-O 3.02Å; S407-L921 WeakPolarHBondContact O-CA 3.26Å; S407-L921 PolarHBondContact O-N 2.72Å
922Q30.7Very low30.6Very low97 Ų97132.9 Ų132.945%0.45370%0.7SS.*  cis-161.1-163.9-17.3-139.4-178.412.800112Q405 S406 G408Q405-Q922 WeakPolarHBondContact CA-O 3.41Å; S406-Q922 VanDerWaalsContact O-CA 3.31Å; S406-Q922 WeakPolarHBondContact O-CA 3.34Å; S406-Q922 PolarHBondContact O-N 3.26Å; G408-Q922 WeakPolarHBondContact O-CG 3.38Å; G408-Q922 PolarHBondContact O-NE2 2.86Å
923T32Very low30.4Very low109 Ų109136.3 Ų136.367%0.66970%0.698SS**  trans-82.2158.1-168.144.50000117.8
924G28.5Very low30.4Very low42 Ų42135.6 Ų135.643%0.43370%0.695SS.*  trans-135.9174.3169.700000113.9Q405Q405-G924 PolarHBondContact NE2-O 2.87Å
925N28.2Very low30.3Very low127 Ų127138.3 Ų138.368%0.67969%0.691SS**  trans-159.3133-167.7-123.4-122.3000117.3
926K28.4Very low30.3Very low180 Ų180138.1 Ų138.178%0.78369%0.689SS**  trans66.8157.3158.3-58.1156.5177.2144.70116.2
927T32.9Very low29.8Very low134 Ų134139 Ų13982%0.82270%0.704SS**  cis-150.3167.210.2-22.70000112.7
928Q28.6Very low29.6Very low173 Ų173136.3 Ų136.381%0.80870%0.696SS**  trans-136.8171.5169.7-86.5-101.2-13.200107.4
929P36.5Very low29.2Very low103 Ų103140.3 Ų140.367%0.66970%0.701SS**  cis-147.5-166.620.344.8-24.1000117.8
930S30.4Very low28.8Very low102 Ų102135.6 Ų135.671%0.71369%0.689SS**  trans76.8134157.271.20000119.1
931R29.8Very low28.3Very low217 Ų217143.4 Ų143.482%0.81972%0.715SS**  cis96.1124.228.9-79.2-174.5170.6172.51.2114.1
932P33.3Very low28.1Very low127 Ų127143.4 Ų143.483%0.82572%0.72SS**  -141.7161.578.338.3-23.5000114.8
933R27.1Very low27.8Very low206 Ų206146.7 Ų146.778%0.77773%0.732SS**  cis10686.212.5-166.8-166.7-169.4-171.75.5116
934K29.5Very low27.6Very low172 Ų172147.2 Ų147.275%0.74873%0.731SS**  trans161.4148.3148.8-90.4151.1-170.5173.30109.6
935R25Very low27.7Very low150 Ų150152.8 Ų152.857%0.56675%0.749SS**  cis-170.1156-17-125.8-175.4-167140-9.1110.9
936R26.5Very low27.7Very low217 Ų217152.4 Ų152.482%0.81975%0.752SS**  trans64.8115.3159.1-67.8178170176.6-5.4118.9
937C21.8Very low27.6Very low135 Ų135151 Ų15191%0.91275%0.753SS**  trans-112.6123.5156.9-63.70000110.1
938S23.1Very low27.4Very low84 Ų84152.7 Ų152.759%0.58775%0.751SS**  trans161.8129169.159.70000106
939W23.7Very low27.6Very low229 Ų229151.7 Ų151.787%0.86774%0.744SS**  cis-153.8164.722.8-58.879.6000109.2
940T24.3Very low27Very low100 Ų100155.8 Ų155.861%0.61376%0.755SS**  cis-172.2158.3-29.9370000107.9
941F23Very low27Very low194 Ų194156.3 Ų156.385%0.85175%0.754SS**  trans73.4149173.7-73-148.2000114.5
942T26.7Very low27.3Very low114 Ų114151.4 Ų151.470%0.69975%0.753SS**  cis-143.9166.811.2-18.60000111.8
943K25.2Very low26.9Very low165 Ų165152.8 Ų152.872%0.71775%0.753SS**  trans3.5138.8141.7-82.6173.2131.6-790117.3
944D26.3Very low27.1Very low121 Ų121151.9 Ų151.965%0.64775%0.754SS**  cis-154.3-16431.5-88.7-47.3000111.2
945I31.7Very low27.2Very low159 Ų159148.8 Ų148.882%0.81575%0.746SS**  trans81.1116.4163.1-57.7158.9000116.9
946T27Very low27.3Very low119 Ų119145.3 Ų145.373%0.7374%0.741SS**  trans-81.515115946.10000110.9
947N26.7Very low27.2Very low149 Ų149140.3 Ų140.380%0.79774%0.74SS**  trans76.190.3172.6-51.2-10.8000116.1
948E29.8Very low27.5Very low170 Ų170139.1 Ų139.179%0.79473%0.733SS**  -132.6143.1113.6-83.9-157.5111.600109.4
949F31.7Very low28Very low152 Ų152139.6 Ų139.667%0.66774%0.741SS**  trans-4.9132.2170.9-47.5-80000117.7T951F949-T951 HydrophobicContact CB-CG2 4.26Å; F949-T951 HydrophobicContact CD1-CG2 4.2Å
950Q24.8Very low28.3Very low189 Ų189134.1 Ų134.188%0.88373%0.729SS**  cis52.437.720.1-139.6-177.322.100116.8
951T29.9Very low28.4Very low113 Ų113136.7 Ų136.769%0.69373%0.734SS**  trans-136.4134.3152.149.20000107.4F949F949-T951 HydrophobicContact CB-CG2 4.26Å; F949-T951 HydrophobicContact CD1-CG2 4.2Å
952S35.6Very low28.5Very low114 Ų114134.1 Ų134.180%0.79773%0.728SS**  cis-131.9115.810.150.90000112.5
953L25.3Very low28.5Very low157 Ų157135.4 Ų135.482%0.82273%0.73SS**  trans-71140144.8-82.5162.2000108.1
954K30.6Very low28.6Very low186 Ų186132.6 Ų132.681%0.80973%0.73SS**  trans151140156.1-88.3-171.7176.1-171.80109.2
955N31.9Very low28.8Very low108 Ų108132 Ų13258%0.57873%0.733SS**  cis-155.1144.5-12.3-128.716.1000113.4
956V28.4Very low28.5Very low76 Ų76130.4 Ų130.446%0.46173%0.731SS.*  trans42.5108.8133.6178.90000118.5L960V956-L960 HydrophobicContact CG1-CD2 4Å; V956-L960 HydrophobicContact CG1-CG 4.1Å
957S22.8Very low28.4Very low113 Ų113134.5 Ų134.579%0.7974%0.739SS**SBend-85.1149.1124.3-54.40000108.9
958S29.9Very low28.4Very low110 Ų110134.2 Ų134.277%0.76974%0.737SS**SBendtrans64.2109.8162.7-49.40000118.4
959A32.8Very low28.2Very low93 Ų93132.5 Ų132.577%0.76973%0.733SS**  trans45.276156.500000116.1
960L30.7Very low28Very low115 Ų115133.5 Ų133.560%0.60274%0.738SS**  50.1115.569.1-54.6172.7000112.3V956V956-L960 HydrophobicContact CG1-CD2 4Å; V956-L960 HydrophobicContact CG1-CG 4.1Å
961H24.7Very low28.3Very low154 Ų154131.8 Ų131.871%0.71373%0.729SS**  59.1119.378.5-85.6-77.9000111.3
962L25.4Very low28.1Very low140 Ų140135 Ų13573%0.73373%0.734SS**  cis-143.1-167.222.4-91.6154.3000112.6
963D27.6Very low28Very low141 Ų141137.1 Ų137.175%0.75473%0.728SS**  trans77.7140.3157.1-58.1-31.6000119.4
964C26.6Very low28.3Very low106 Ų106138.9 Ų138.972%0.71673%0.73SS**  cis-155.7174-19.1-121.60000109.4
965P31.7Very low28.3Very low109 Ų109138.9 Ų138.971%0.70873%0.73SS**  trans-87.9-148.6-17239.2-38000112.9
966T24Very low28.7Very low125 Ų125138.2 Ų138.277%0.76773%0.732SS**SBendtrans-18.1136.9169.540.30000118.2D968T966-D968 PolarHBondContact O-N 3.13Å
967F25.2Very low28.9Very low204 Ų204141.3 Ų141.390%0.89575%0.745SS**  trans-10.5105.1148-92.5-103.7000115.5
968D27.6Very low29.2Very low143 Ų143145.6 Ų145.677%0.76574%0.744SS**  trans176.7144139.4-96.35.2000107.5T966T966-D968 PolarHBondContact O-N 3.13Å
969L25.6Very low29.3Very low134 Ų134146.7 Ų146.770%0.70274%0.737SS**  cis-154.4158.7-15-157.4109.1000108.4
970F27.3Very low29.3Very low174 Ų174150.6 Ų150.676%0.76374%0.737SS**  trans8107.9169.9-81-109.8000120.5
971Q30.1Very low29.3Very low152 Ų152151.1 Ų151.171%0.7175%0.747SS**  -176.4107.6126.9-102.6165.381.500110.2
972K27.1Very low29.4Very low182 Ų182149.2 Ų149.279%0.79175%0.751SS**  45.1130.886.6-83.5-175.5175.6176.70112.6
973K32.4Very low29.5Very low157 Ų157148.8 Ų148.868%0.68375%0.754SS**  trans88.1136.7-135.5-54.5139.2-133.3159.20108.7
974F31.6Very low29.7Very low194 Ų194149.3 Ų149.385%0.85176%0.756SS**  cis-143.5-134.9-24.9-132.3-64.7000111.3
975K31.2Very low29.8Very low186 Ų186153.9 Ų153.981%0.80977%0.767SS**  trans-163.1168.5-170.4-81.9-170.9175.9-179.50110.1
976P39.9Very low29.6Very low95 Ų95152.4 Ų152.462%0.61776%0.759SS**  cis-143.2-173.9-45.442-24.5000114
977N32.6Very low29.9Very low140 Ų140154.4 Ų154.475%0.74976%0.764SS**  trans73.9147.1163.5-55.2-22.3000117.1
978R30.4Very low30.1Very low204 Ų204150.2 Ų150.277%0.7776%0.761SS**  cis-160139.3-2.5-128-176.9-176.7153.20.7110.2
979E31.7Very low30.1Very low133 Ų133152.5 Ų152.562%0.62177%0.769SS**  trans58.5148154.6-62.7174.2-122.300119.3
980K32.5Very low30.4Very low174 Ų174152.7 Ų152.776%0.75778%0.776SS**  cis-157.8153.4-10.1-107.9161.9-177.4155.20108
981P31.3Very low30.6Very low127 Ų127149.2 Ų149.283%0.82578%0.779SS**  trans-105.2155.3-172.138.6-34.2000115.5
982S25.9Very low30.4Very low113 Ų113149.7 Ų149.779%0.7979%0.786SS**  trans-165.8145.7160.869.50000115.6
983V27.9Very low30.9Very low131 Ų131146.4 Ų146.479%0.79478%0.783SS**  trans64.395.3160.7-163.60000119.2
984L31.9Very low30.8Very low153 Ų153145.4 Ų145.480%0.80179%0.794SS**  trans-166.651.5130.8-114.9168.8000113.8
985E27.6Very low30.7Very low202 Ų202144 Ų14494%0.94479%0.794SS**  trans-10268.1170.6-165.1172.9-150.700110.9
986S28.3Very low30.7Very low78 Ų78142.5 Ų142.555%0.54579%0.794SS.*  trans-156.5136.1174.860.50000112.1
987L29Very low30.2Very low166 Ų166143.1 Ų143.187%0.86980%0.798SS**  trans70.378.7167-56.5166.8000117.5
988S30.1Very low30.1Very low117 Ų117144.4 Ų144.482%0.81880%0.804SS**  -175.997.7117.838.40000114.6
989M28.3Very low30Very low191 Ų191146 Ų14694%0.94181%0.81SS**  trans-141.574.1150.8-98.7-145.674.500109.9
990T31.9Very low30Very low138 Ų138145.5 Ų145.585%0.84782%0.818SS**  trans-135.473.9174.450.30000110.6
991A30.4Very low29.6Very low101 Ų101147.8 Ų147.884%0.83582%0.822SS**  trans-116.2113.2162.600000108.6
992L26.7Very low29.6Very low162 Ų162148.4 Ų148.485%0.84882%0.817SS**  trans-106.6-178175.5-74.4167.8000108.2
993P37.1Very low29.7Very low112 Ų112151.1 Ų151.173%0.72782%0.817SS**  -129.2-177.1-50.737.1-23000110.8
994C29.7Very low29.5Very low136 Ų136148.5 Ų148.592%0.91981%0.805SS**  trans-144.4168.4155.4-129.70000112.6
995L29.8Very low29.4Very low164 Ų164148.3 Ų148.386%0.85981%0.805SS**  trans-98.3154.8-160.2-78.5157.5000115.5
996I31.3Very low29.3Very low155 Ų155142.4 Ų142.480%0.79579%0.79SS**  trans-52.6142.3174.6-59.9151.8000112.9
997P30.9Very low29.5Very low109 Ų109145.1 Ų145.171%0.70880%0.804SS**  trans-128.2131.3137.38.214000114.7
998L28.9Very low29.4Very low167 Ų167144.1 Ų144.187%0.87480%0.799SS**  trans63.9147.2142.2-54174.3000121.8
999R29.3Very low29.4Very low236 Ų236146.8 Ų146.889%0.89180%0.804SS**  trans-100.1149167.5-76173.9162.1174.5-7.8109.2
1000P31.2Very low29.3Very low123 Ų123145.5 Ų145.580%0.79980%0.798SS**  -125.2163.989.638.2-31.6000111.4
1001R25.2Very low29.2Very low223 Ų223145 Ų14584%0.84280%0.795SS**  cis84.3128.525.5-147.9-176.6-165.2167.72.2113.3
1002I31.2Very low29Very low140 Ų140144.7 Ų144.772%0.71879%0.787SS**  trans78.1105.4178.9-59164.1000111
1003Q27.2Very low29.1Very low170 Ų170143.7 Ų143.779%0.79478%0.781SS**  62.514895.9-69.2175.3-71.300114.1
1004S24.3Very low28.6Very low76 Ų76144.6 Ų144.653%0.53178%0.78SS.*  cis-172.9172.2-2846.90000106.6
1005D29.1Very low28.5Very low149 Ų149146 Ų14680%0.79777%0.772SS**  trans67.7163.7165.4-43.8-55.4000116.8
1006A26.2Very low28.5Very low77 Ų77145.8 Ų145.864%0.63677%0.767SS**  cis-168.685.6-42.100000110.6
1007T32.5Very low28.3Very low135 Ų135148.1 Ų148.183%0.82877%0.772SS**  trans-148.699.7160.946.90000107
1008N27Very low28.3Very low146 Ų146149.2 Ų149.278%0.78177%0.771SS**  54.510476.3-63.8-11.8000112.2
1009D29.7Very low28.3Very low173 Ų173144.3 Ų144.393%0.92576%0.76SS**  -150.8155.2120.4-111.3-32.2000112
1010M25.1Very low28.3Very low164 Ų164143.9 Ų143.981%0.80876%0.758SS**  trans-115.4174.7174.7-110.5-88.7-168.300108.2
1011T30.2Very low28.1Very low126 Ų126148.3 Ų148.377%0.77376%0.759SS**  trans68.9124.7-170.877.90000112.7
1012S27.3Very low28.5Very low95 Ų95143.1 Ų143.166%0.66475%0.754SS**  cis80.6113.513.51000000116.9
1013I27.1Very low28.5Very low142 Ų142143 Ų14373%0.72875%0.751SS**  trans86.6118.8145.2-63.7168.6000116.9
1014N26.6Very low28.6Very low131 Ų131144.1 Ų144.170%0.70175%0.748SS**  trans68.8168.4154.3-66.59.1000117.6
1015E27.6Very low28.8Very low164 Ų164147.7 Ų147.777%0.76675%0.754SS**  cis-154.9140.82.7-139.9150-104.200110.5
1016E30.6Very low28.8Very low160 Ų160149.2 Ų149.275%0.74875%0.753SS**  trans-171.3101.2137.8-117.1-169.1152.900114.3I1018E1016-I1018 HydrophobicContact CG-CD1 3.77Å; E1016-I1018 HydrophobicContact CG-CG1 4.16Å; E1016-I1018 VanDerWaalsContact OE1-CD1 3.23Å; E1016-I1018 WeakPolarHBondContact OE1-CD1 3.34Å
1017F27.3Very low28.7Very low204 Ų204153.8 Ų153.890%0.89576%0.761SS**  trans-17762.2144.9-118-76.1000107.2
1018I30.5Very low28.4Very low133 Ų133151.9 Ų151.968%0.68275%0.754SS**  43.388.196.6-59.2-174.3000111.1E1016E1016-I1018 HydrophobicContact CG-CD1 3.77Å; E1016-I1018 HydrophobicContact CG-CG1 4.16Å; E1016-I1018 VanDerWaalsContact OE1-CD1 3.23Å; E1016-I1018 WeakPolarHBondContact OE1-CD1 3.34Å
1019G29.2Very low28.5Very low63 Ų63151.7 Ų151.765%0.64975%0.753SS**  trans-135.7-7.8-162.900000119
1020R28.6Very low28.6Very low227 Ų227150.6 Ų150.686%0.85775%0.746SS**  trans65.1172.3-178.5-49.7176.4179.7-173.20.7113.3
1021R28.2Very low28.8Very low216 Ų216149.2 Ų149.282%0.81574%0.742SS**  cis-153.5161.3-33.7-109.9176.6-179.6174.1-0.5108.2
1022P33.3Very low28.6Very low115 Ų115149.9 Ų149.975%0.74774%0.741SS**  trans-97.6159.3-179.938.4-34.4000114
1023E31.7Very low28.6Very low137 Ų137152.3 Ų152.364%0.6475%0.745SS**  trans-142.4119.9149.9-82-95126.800104.4
1024R28.4Very low28.6Very low193 Ų193154.4 Ų154.473%0.72875%0.749SS**  71.813885.4-76.1156.4163.5-176.2-1.3112.3
1025K28.9Very low28.5Very low151 Ų151155.6 Ų155.666%0.65775%0.754SS**  cis-161.9158.526.7-129157.3-177.7173.90113.4
1026F28.3Very low28.6Very low181 Ų181155.1 Ų155.179%0.79476%0.755SS**  trans71.4115.3161.4-62.5-60.4000121.8
1027H25.1Very low28.4Very low173 Ų173153.3 Ų153.380%0.80175%0.751SS**  trans-86.8-177.2153.9-66.5-121000110.2
1028S26.3Very low28.4Very low96 Ų96150.4 Ų150.467%0.67174%0.738SS**  trans66.5144.1142.851.10000118.8
1029D28.3Very low28.2Very low141 Ų141152.1 Ų152.175%0.75474%0.736SS**  cis-165.9170.1-5.6-103.8-20.5000109.9
1030L32.6Very low28.1Very low151 Ų151158 Ų15879%0.79174%0.738SS**  trans66.8157.6161.5-60.4138000118.3
1031N29.4Very low28.1Very low134 Ų134153.4 Ų153.472%0.71773%0.731SS**  -161.8137-51.9-119.7-7.2000110
1032N25.6Very low28.1Very low141 Ų141148 Ų14875%0.75473%0.727SS**  trans43.5119.6158.2-83.1-12.2000122.3
1033I26.5Very low27.8Very low146 Ų146149.5 Ų149.575%0.74973%0.725SS**  trans93.9122139.9-61.8166.1000119.4
1034K26.9Very low27.8Very low185 Ų185149.2 Ų149.280%0.80473%0.733SS**  trans75.598.8158.3-81.8173.9180-1780121.6
1035L25.7Very low27.7Very low157 Ų157144.4 Ų144.482%0.82273%0.725SS**  73.4157.7117-122.678.4000120.5
1036I29.2Very low27.6Very low153 Ų153143.7 Ų143.779%0.78573%0.728SS**  trans72.9132.8173.3-57170.2000114.5
1037D25.9Very low27.5Very low122 Ų122141.2 Ų141.265%0.65272%0.723SS**  cis-164.6174.1-31.8-147.2-31.5000109.8
1038F27.9Very low27.7Very low143 Ų143142.2 Ų142.263%0.62773%0.725SS**  trans67.1120.4151.5-78.2-47.6000122.3
1039R26.8Very low27.8Very low170 Ų170143.2 Ų143.264%0.64273%0.732SS**  trans73.8149.4135.6-62.2172.1-176.2-161.4-0.8116.6
1040R27.2Very low27.7Very low185 Ų185142.8 Ų142.870%0.69873%0.734SS**  cis-166.3158-9-106.6168.3-178.5176.3-2.9104.8
1041N29.1Very low27.5Very low131 Ų131142.6 Ų142.670%0.70173%0.733SS**  cis-161.4163.83.3-131.93.4000108.6
1042S27.3Very low27.5Very low104 Ų104143.5 Ų143.573%0.72774%0.736SS**  trans37.9126.6151.560.40000120.7
1043M27.4Very low27.5Very low145 Ų145146.5 Ų146.571%0.71474%0.738SS**  cis-148.1-131-0.2-153171.574.300109.6T1045M1043-T1045 HydrophobicContact CE-CG2 4.24Å; M1043-T1045 HydrophobicContact SD-CG2 4.46Å
1044V30.6Very low27.5Very low132 Ų132143.1 Ų143.180%0.874%0.739SS**  cis-138.1151.512.4-176.40000108.7
1045T26.9Very low27.4Very low91 Ų91140.8 Ų140.856%0.55873%0.734SS**  trans-99.9147.1-169.448.50000114.6M1043M1043-T1045 HydrophobicContact CE-CG2 4.24Å; M1043-T1045 HydrophobicContact SD-CG2 4.46Å
1046N26.7Very low27.5Very low136 Ų136140.7 Ų140.773%0.72773%0.729SS**  trans69.6137.2150.4-66.626.5000118.2
1047D27Very low27.5Very low130 Ų130141.3 Ų141.370%0.69573%0.727SS**  cis-1431401.1-77.8-51.3000111.7
1048K28.9Very low27.4Very low194 Ų194143 Ų14384%0.84374%0.735SS**  trans171.5136.7134.6-96.2151.3-170.4162.40114.8
1049S27.9Very low27.5Very low116 Ų116144.2 Ų144.281%0.81175%0.747SS**  trans44.1105.9153.159.90000119.3
1050V27Very low27.3Very low132 Ų132146.8 Ų146.880%0.876%0.756SS**  trans-130.4167.1163.3-175.10000108.1
1051I28.4Very low27.3Very low148 Ų148145.9 Ų145.976%0.75977%0.765SS**  trans77.8120.9-174.7-51.1-56.1000111.9
1052I28.7Very low27.2Very low152 Ų152145.1 Ų145.178%0.77977%0.765SS**  cis-154.5-174.1-8.5-161155.6000110
1053Y25.2Very low27.1Very low204 Ų204149 Ų14980%0.877%0.768SS**  trans-116.9161.2175.4-112.1-110.9000112.4I1055Y1053-I1055 HydrophobicContact CD1-CD1 3.96Å; Y1053-I1055 HydrophobicContact CD1-CG1 4.14Å; Y1053-I1055 HydrophobicContact CE1-CD1 3.64Å; Y1053-I1055 HydrophobicContact CE1-CG1 4.33Å
1054G26.1Very low27.1Very low75 Ų75147.5 Ų147.577%0.77377%0.767SS**  trans-164.4103.7163.500000111.5
1055I25.1Very low26.8Very low137 Ų137150.7 Ų150.770%0.70377%0.766SS**  trans-138.4117178.8-60.6179.8000110Y1053Y1053-I1055 HydrophobicContact CD1-CD1 3.96Å; Y1053-I1055 HydrophobicContact CD1-CG1 4.14Å; Y1053-I1055 HydrophobicContact CE1-CD1 3.64Å; Y1053-I1055 HydrophobicContact CE1-CG1 4.33Å
1056E29Very low26.6Very low154 Ų154156 Ų15672%0.7278%0.777SS**  trans-160.7153152.5-79.8-145.7127.400107.1
1057K29.1Very low26.7Very low167 Ų167155.5 Ų155.573%0.72678%0.779SS**  cis-150.9154.62.7-129.9162.6-177.8133.30109.4
1058N22.9Very low26.6Very low157 Ų157156 Ų15684%0.8478%0.782SS**  trans-91.7147.5167.4-90.8-69.4000110.8
1059I30.7Very low26.6Very low168 Ų168153.6 Ų153.686%0.86278%0.784SS**  trans-163.8148.8145.4-100.7147.4000109
1060R22.7Very low26.5Very low224 Ų224157 Ų15785%0.84578%0.784SS**  trans-107.4151.6-179.1-58.5167.8172.8164.4-4.8110.3
1061L27.3Very low26.5Very low167 Ų167160.1 Ų160.187%0.87479%0.788SS**  -166.2104.4128.5-128.577.2000115.7
1062V25.7Very low26.4Very low115 Ų115160.6 Ų160.670%0.69779%0.786SS**  35.4110.3123.7-173.30000121.4
1063K25.8Very low26.3Very low185 Ų185160.1 Ų160.180%0.80478%0.784SS**  trans85.1148.4137-86.4-179.1176.3-1790124.8
1064T26.5Very low27Very low114 Ų114155.7 Ų155.770%0.69978%0.78SS**  trans79.997147.139.30000122.6
1065Y24.2Very low27.1Very low198 Ų198156.3 Ų156.378%0.77677%0.773SS**  61.9122129.1-79.3-57.4000123.8
1066Y24.5Very low27.4Very low202 Ų202157.9 Ų157.979%0.79278%0.775SS**  trans91.7131.8133.6-93.6-59.9000122.9
1067V27.4Very low27.5Very low126 Ų126158.3 Ų158.376%0.76478%0.775SS**  trans78.6136.5160.4-176.70000118.2
1068D25.3Very low27.6Very low141 Ų141157.8 Ų157.875%0.75477%0.774SS**  trans-81150.3-175.2-40.8-103.2000113.8
1069T29.1Very low28.2Very low144 Ų144159.7 Ų159.788%0.88378%0.775SS**  -177.7164.7114.9240000113
1070F26.5Very low28.6Very low187 Ų187159.1 Ų159.182%0.8281%0.811SS**  trans-78.9142.6-178.1-71-118.6000112.6
1071F27Very low28.9Very low198 Ų198155.9 Ų155.987%0.86881%0.809SS**  -172.8-170.199.2-112.2-80.3000112
1072E25.7Very low29Very low157 Ų157155.3 Ų155.373%0.73481%0.805SS**  trans-136.6174.6-152.1-161.1-169.9-172.300112.7
1073I27.4Very low29.2Very low142 Ų142157.5 Ų157.573%0.72881%0.811SS**  trans73.6163.7162.310.1-179.8000118.1
1074P38.1Very low29.4Very low111 Ų111155.9 Ų155.972%0.72181%0.812SS**  -138.5-173.6-107.845.1-26.6000117.6
1075S29.5Very low29.5Very low89 Ų89158.5 Ų158.562%0.62282%0.819SS**  137.8160.3116.7-149.60000118.7
1076F30Very low29.9Very low170 Ų170155.9 Ų155.975%0.74682%0.822SS**  trans82.699151.6-71.3-54.9000124.4
1077K32.9Very low30.3Very low163 Ų163152.6 Ų152.671%0.70982%0.824SS**  77.6111.8116.3-95.2-178.2179.8177.60123.2
1078H30.9Very low30.5Very low156 Ų156154.6 Ų154.672%0.72283%0.828SS**  94.5138.2116.9-97.2-32.8000123.6
1079K34.3Very low30.9Very low196 Ų196155.8 Ų155.885%0.85283%0.834SS**  trans73.5101.4151.4-72.5-171174.5-1710118.6
1080G39.8Very low31.1Very low156 Ų156156.8 Ų156.8100%1.60883%0.83SS**  trans-137.20141.600000106.5

Retrieved 1,080 of 1,080 residues in 648.1 ms (Link to these results)