A0A3Q0KKI1_SCHMA Loading...

Run domain Beclin-1-interacting and cysteine-rich domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,064 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low37.6Very low210 Ų210154.1 Ų154.1100%1.03481%0.808SS**  0-18.90-84.3-174.8-177.600114.6I3 L222M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.47Å; M1-L222 HydrophobicContact CE-CD2 4.48Å
2N35.5Very low37.6Very low169 Ų169149 Ų14990%0.90479%0.791SS**THydrogen-bonded Turntrans-86.121.3-178.5-75.3-9.2000116.4
3I44.7Very low37.6Very low163 Ų163146.7 Ų146.784%0.83678%0.778SS**THydrogen-bonded Turntrans-114.3-6.2-174.6-58.7174.4000112.2M1M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.47Å
4L43.3Very low37.9Very low138 Ų138146 Ų14672%0.72377%0.774SS**SBendtrans-107.1-2.9-166.4-115.982000117.7
5F39.4Very low38.1Very low184 Ų184140 Ų14081%0.80775%0.749SS**  trans-143.7106.3177.7-73.9-81000111.7Y7F5-Y7 PolarHBondContact O-N 3.43Å
6P35.2Very low38.4Very low115 Ų115137.3 Ų137.375%0.74773%0.734SS**SBendtrans-82.310.6176.831.2-30000113.8
7Y36.5Very low38.7Very low188 Ų188137.6 Ų137.674%0.73773%0.728SS**SBendtrans-140.1116.5176.5-67.1-80.7000111.2F5 I9F5-Y7 PolarHBondContact O-N 3.43Å; Y7-I9 PolarHBondContact O-N 3.24Å
8S35.6Very low39.3Very low127 Ų127138.3 Ų138.389%0.88872%0.72SS**  trans-70.690.9167.3-56.70000109P10S8-P10 WeakPolarHBondContact O-CD 3.39Å
9I36.1Very low39.9Very low139 Ų139136.2 Ų136.271%0.71371%0.71SS**  trans-67.1119.9162.8-61172.4000105.9Y7 I11Y7-I9 PolarHBondContact O-N 3.24Å; I9-I11 PolarHBondContact O-N 3.04Å
10P32.9Very low40.9Very low117 Ų117134.8 Ų134.876%0.7670%0.699SS**  trans-66.3100.217525.7-29.9000108S8 P12S8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-P12 WeakPolarHBondContact O-CD 3.33Å
11I33.9Very low41.4Very low145 Ų145131.8 Ų131.874%0.74468%0.683SS**PPolyproline II helixtrans-62.5121.2166.2-59.6173.5000105.4I9 L13I9-I11 PolarHBondContact O-N 3.04Å; I11-L13 PolarHBondContact O-N 3.41Å
12P37.3Very low41.9Very low93 Ų93125.1 Ų125.160%0.60465%0.651SS**PPolyproline II helixtrans-55.8116.8171.8-16.928.2000107.2P10 L14P10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-L14 PolarHBondContact O-N 3.25Å
13L37.8Very low42.6Very low119 Ų119119.8 Ų119.862%0.62363%0.627SS**PPolyproline II helixtrans-51.1136.9173.2-75162.3000108I11 S15 N16I11-L13 PolarHBondContact O-N 3.41Å; L13-S15 VanDerWaalsContact CB-OG 3.27Å; L13-S15 WeakPolarHBondContact CB-OG 3.44Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-N16 WeakPolarHBondContact O-CB 3.2Å; L13-N16 PolarHBondContact O-N 3.17Å
14L41.8Very low42.8Very low137 Ų137117.1 Ų117.172%0.71761%0.611SS**Hα-helixtrans-50.9-28.8177.2-115.290.7000111.7P12 N16 F17 Y18P12-L14 PolarHBondContact O-N 3.25Å; L14-N16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 3.26Å; L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.42Å
15S41Very low42.8Very low56 Ų56114.9 Ų114.939%0.39260%0.597SS.*Hα-helixtrans-56.5-43.2171.958.30000112.8L13 F17 Y18 D19L13-S15 VanDerWaalsContact CB-OG 3.27Å; L13-S15 WeakPolarHBondContact CB-OG 3.44Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 2.92Å; S15-Y18 PolarHBondContact O-N 3.05Å; S15-D19 VanDerWaalsContact O-CB 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.35Å; S15-D19 VanDerWaalsContact O-CG 3.23Å; S15-D19 PolarHBondContact O-N 3.23Å
16N43.3Very low43.1Very low97 Ų97110.9 Ų110.952%0.51958%0.584SS.*Hα-helixtrans-68.5-30-179.8-67.6-7.8000112.3L13 L14 H20L13-N16 WeakPolarHBondContact O-CB 3.2Å; L13-N16 PolarHBondContact O-N 3.17Å; L14-N16 PolarHBondContact O-N 3.48Å; N16-H20 WeakPolarHBondContact O-CB 3.31Å; N16-H20 PolarHBondContact O-N 2.92Å
17F43.3Very low43.5Very low142 Ų142110.8 Ų110.862%0.62358%0.581SS**Hα-helixtrans-77.8-37.6174.6-155.9-97.4000111.3L14 S15 H20 I21L14-F17 PolarHBondContact O-N 3.26Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 2.92Å; F17-H20 PolarHBondContact O-N 2.93Å; F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CE1-CD1 3.65Å; F17-I21 WeakPolarHBondContact O-CG1 3.47Å; F17-I21 PolarHBondContact O-N 3.47Å; F17-I21 VanDerWaalsContact O-N 3.11Å
18Y48.8Very low43.8Very low150 Ų150107.9 Ų107.959%0.58858%0.578SS**Hα-helixtrans-67.6-44.4175.6-157.3-93.8000111.7L14 S15 H20 I21 M22L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.42Å; S15-Y18 PolarHBondContact O-N 3.05Å; Y18-H20 VanDerWaalsContact C-N 3.33Å; Y18-H20 PolarHBondContact O-N 3.3Å; Y18-I21 PolarHBondContact O-N 3.34Å; Y18-M22 HydrophobicContact CD1-CG 3.75Å; Y18-M22 HydrophobicContact CE1-CE 3.91Å; Y18-M22 HydrophobicContact CE1-CG 3.68Å; Y18-M22 HydrophobicContact CE1-SD 4.24Å; Y18-M22 HydrophobicContact CE2-CE 4.31Å; Y18-M22 WeakPolarHBondContact O-CB 3.26Å; Y18-M22 VanDerWaalsContact O-CG 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.37Å; Y18-M22 PolarHBondContact O-N 3.41Å
19D50.7Low44.1Very low99 Ų99108.1 Ų108.153%0.52957%0.569SS.*Hα-helixtrans-65.5-35175.5-70.9-20.1000111.7S15 S23S15-D19 VanDerWaalsContact O-CB 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.35Å; S15-D19 VanDerWaalsContact O-CG 3.23Å; S15-D19 PolarHBondContact O-N 3.23Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.91Å; D19-S23 PolarHBondContact O-OG 3.5Å
20H60.5Low44.1Very low107 Ų107108.8 Ų108.850%0.49557%0.569SS.*Hα-helixtrans-65.6-42.7174.1-168.963.1000111.7N16 F17 Y18 S23 Q24N16-H20 WeakPolarHBondContact O-CB 3.31Å; N16-H20 PolarHBondContact O-N 2.92Å; F17-H20 PolarHBondContact O-N 2.93Å; Y18-H20 VanDerWaalsContact C-N 3.33Å; Y18-H20 PolarHBondContact O-N 3.3Å; H20-S23 PolarHBondContact O-OG 3.16Å; H20-S23 VanDerWaalsContact O-OG 3.06Å; H20-Q24 WeakPolarHBondContact O-CG 3.49Å; H20-Q24 PolarHBondContact O-N 3.14Å; H20-Q24 VanDerWaalsContact O-N 3.17Å
21I51.2Low44.1Very low72 Ų72108.4 Ų108.437%0.36957%0.57SS.*Hα-helixtrans-68.4-42.9176.3-67.7174.6000111.2F17 Y18 Q24 Q25F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CE1-CD1 3.65Å; F17-I21 WeakPolarHBondContact O-CG1 3.47Å; F17-I21 PolarHBondContact O-N 3.47Å; F17-I21 VanDerWaalsContact O-N 3.11Å; Y18-I21 PolarHBondContact O-N 3.34Å; I21-Q24 PolarHBondContact O-N 2.9Å; I21-Q25 WeakPolarHBondContact O-CG 3.34Å; I21-Q25 PolarHBondContact O-N 3.42Å
22M50.1Low44.1Very low70 Ų70107 Ų10735%0.34557%0.572SS.*Hα-helixtrans-69.1-36.2178.8-69.4-65.3139.200112Y18 Q25 N26Y18-M22 HydrophobicContact CD1-CG 3.75Å; Y18-M22 HydrophobicContact CE1-CE 3.91Å; Y18-M22 HydrophobicContact CE1-CG 3.68Å; Y18-M22 HydrophobicContact CE1-SD 4.24Å; Y18-M22 HydrophobicContact CE2-CE 4.31Å; Y18-M22 WeakPolarHBondContact O-CB 3.26Å; Y18-M22 VanDerWaalsContact O-CG 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.37Å; Y18-M22 PolarHBondContact O-N 3.41Å; M22-Q25 PolarHBondContact O-N 2.97Å; M22-N26 WeakPolarHBondContact O-CB 3.4Å; M22-N26 PolarHBondContact O-N 3.04Å
23S50.2Low44.2Very low57 Ų57108 Ų10840%0.39958%0.579SS.*Hα-helixtrans-66.4-38174.275.40000112.1D19 H20 Q25 N26 V27D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 2.91Å; D19-S23 PolarHBondContact O-OG 3.5Å; H20-S23 PolarHBondContact O-OG 3.16Å; H20-S23 VanDerWaalsContact O-OG 3.06Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.01Å; S23-N26 PolarHBondContact O-N 3.4Å; S23-V27 WeakPolarHBondContact O-CB 3.48Å; S23-V27 WeakPolarHBondContact O-CG2 3.09Å; S23-V27 PolarHBondContact O-N 3.33Å
24Q49.7Very low43.9Very low107 Ų107113.5 Ų113.550%0.559%0.593SS.*Hα-helixtrans-68.5-27.5174-67.8-90.827.600112.2H20 I21 N28H20-Q24 WeakPolarHBondContact O-CG 3.49Å; H20-Q24 PolarHBondContact O-N 3.14Å; H20-Q24 VanDerWaalsContact O-N 3.17Å; I21-Q24 PolarHBondContact O-N 2.9Å; Q24-N28 PolarHBondContact O-ND2 3.19Å
25Q44.4Very low43.5Very low92 Ų92112.1 Ų112.143%0.4360%0.595SS.*Hα-helixtrans-79.2-30.8173-74.7179.9-12.600112.8I21 M22 S23 N29I21-Q25 WeakPolarHBondContact O-CG 3.34Å; I21-Q25 PolarHBondContact O-N 3.42Å; M22-Q25 PolarHBondContact O-N 2.97Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.01Å; Q25-N29 PolarHBondContact O-ND2 3.47Å
26N44Very low43.2Very low100 Ų100114.5 Ų114.554%0.53561%0.611SS.*Hα-helixtrans-83-32-179.4-143.818.5000112.8M22 S23 N28 N29M22-N26 WeakPolarHBondContact O-CB 3.4Å; M22-N26 PolarHBondContact O-N 3.04Å; S23-N26 PolarHBondContact O-N 3.4Å; N26-N28 PolarHBondContact O-N 2.87Å; N26-N29 PolarHBondContact O-N 2.93Å
27V44.9Very low42.9Very low113 Ų113116.1 Ų116.169%0.68563%0.625SS**THydrogen-bonded Turntrans-68.4-19.3175.9175.20000112.3S23S23-V27 WeakPolarHBondContact O-CB 3.48Å; S23-V27 WeakPolarHBondContact O-CG2 3.09Å; S23-V27 PolarHBondContact O-N 3.33Å
28N43.3Very low42.6Very low126 Ų126114.4 Ų114.467%0.67463%0.628SS**THydrogen-bonded Turntrans-98.4-0.2177.8-67.6-43.9000113.9Q24 N26Q24-N28 PolarHBondContact O-ND2 3.19Å; N26-N28 PolarHBondContact O-N 2.87Å
29N41Very low41.9Very low133 Ų133112.6 Ų112.671%0.71164%0.638SS**THydrogen-bonded Turntrans-116.51.8-176.5-81.4-22.6000114.6Q25 N26Q25-N29 PolarHBondContact O-ND2 3.47Å; N26-N29 PolarHBondContact O-N 2.93Å
30E35.1Very low41Very low152 Ų152112.2 Ų112.271%0.7165%0.648SS**SBendtrans-101.8101.9173.2-72.6-164.8159.500112.5
31S34.2Very low39.7Very low110 Ų110113 Ų11377%0.76967%0.666SS**  trans72.2100.314464.10000119.7
32S33.9Very low38.6Very low114 Ų114115 Ų11580%0.79769%0.686SS**  trans-114.9115.4144.8178.70000108.5
33P38.2Very low37.7Very low116 Ų116117.4 Ų117.475%0.75371%0.707SS**  trans-86.6122.9169.230.4-25000110.7
34Y32.2Very low36.5Very low234 Ų234120 Ų12092%0.91873%0.725SS**  trans-34.4145.5168.7-73.4-98.9000116.5
35S33.2Very low35.5Very low108 Ų108120.2 Ų120.276%0.75574%0.735SS**  -177.1128.1119.5-174.40000113.8
36S36.2Very low34.7Very low105 Ų105120.6 Ų120.673%0.73475%0.748SS**  trans68.2100.814749.90000122.3
37T35.3Very low33.8Very low132 Ų132121.1 Ų121.181%0.8176%0.76SS**  trans-62.2-175149.740.50000112.9
38P38.1Very low32.9Very low106 Ų106121.3 Ų121.369%0.68877%0.766SS**  cis-145.1177.29.130.6-5.4000118.9
39S32.9Very low32Very low112 Ų112119.8 Ų119.878%0.78377%0.771SS**  trans72140.2143.736.60000119.6
40A32.4Very low31.2Very low91 Ų91122.6 Ų122.675%0.75278%0.783SS**  cis-167.5151.2-0.500000108
41S33.4Very low30.9Very low123 Ų123122.9 Ų122.986%0.8679%0.788SS**  trans147.9115.4141.465.80000111.9
42S27.9Very low30.4Very low114 Ų114121.9 Ų121.980%0.79779%0.786SS**  trans-59.7157.9175.848.20000114.6
43P30.9Very low30Very low121 Ų121121.4 Ų121.479%0.78679%0.789SS**  -140.1149.793.632.3-15.1000115.1
44S25.6Very low29.4Very low111 Ų111123.2 Ų123.278%0.77679%0.793SS**  trans-53.5149.4171.542.80000114.6
45P29Very low29.2Very low111 Ų111116.2 Ų116.272%0.72178%0.778SS**  -149.3144.9113.338.7-21.7000116.4
46S27.3Very low29Very low100 Ų100117.1 Ų117.170%0.69978%0.779SS**  trans45.1114.1137.865.30000122
47S24.8Very low29.1Very low111 Ų111116.9 Ų116.978%0.77677%0.774SS**  trans47.291.6136.456.60000118.8
48S26.8Very low29.3Very low117 Ų117114.7 Ų114.782%0.81876%0.756SS**  trans-157.3132.8147.4-82.90000109.6M50S48-M50 PolarHBondContact O-N 2.75Å
49A24.5Very low29.6Very low95 Ų95113.8 Ų113.879%0.78575%0.75SS**  trans-54.8105.6-178.900000111.5L51A49-L51 PolarHBondContact O-N 2.76Å
50M24.2Very low29.8Very low192 Ų192118.4 Ų118.495%0.94675%0.751SS**  trans-77.180.7163.1-72.5-168.376.500108.4S48S48-M50 PolarHBondContact O-N 2.75Å
51L27.3Very low30.1Very low157 Ų157116.2 Ų116.282%0.82273%0.73SS**  trans-78.4122.2162.7-85165.9000108.5A49 A53A49-L51 PolarHBondContact O-N 2.76Å; L51-A53 PolarHBondContact O-N 3.09Å
52A24.6Very low30.4Very low89 Ų89112.1 Ų112.174%0.73670%0.696SS**  trans-43.2116.3-178.600000113.5N54A52-N54 PolarHBondContact O-N 2.81Å
53A26.4Very low31.1Very low104 Ų104109.8 Ų109.886%0.8667%0.674SS**  trans-78.239170.700000112.7L51L51-A53 PolarHBondContact O-N 3.09Å
54N25.1Very low31.9Very low154 Ų154107.4 Ų107.482%0.82466%0.655SS**  trans-121.567.7176.1-82.6-3000109.8A52A52-N54 PolarHBondContact O-N 2.81Å
55S28Very low32.6Very low87 Ų87103.9 Ų103.961%0.60863%0.632SS**  trans-169.6119.7154.9-174.10000107.8T57S55-T57 PolarHBondContact O-N 2.65Å
56T28.9Very low33.4Very low127 Ų127100 Ų10078%0.77961%0.605SS**  trans-61.677.9164.544.40000108.1L58T56-L58 PolarHBondContact O-N 3.22Å
57T37.5Very low34.3Very low101 Ų101100.2 Ų100.262%0.6260%0.595SS**  trans-72.8115-178.343.10000107.4S55S55-T57 PolarHBondContact O-N 2.65Å
58L39.7Very low35.5Very low85 Ų8599 Ų9945%0.44558%0.579SS.*  trans-48.5156.7164.5-74.5108.7000109.7T56 R60 Y62 N63T56-L58 PolarHBondContact O-N 3.22Å; L58-R60 PolarHBondContact O-N 2.86Å; L58-Y62 HydrophobicContact CB-CD1 3.37Å; L58-Y62 HydrophobicContact CB-CE1 4.09Å; L58-Y62 HydrophobicContact CB-CG 3.78Å; L58-Y62 HydrophobicContact CD1-CD1 4.15Å; L58-Y62 HydrophobicContact CD1-CE1 4Å; L58-Y62 HydrophobicContact CD2-CD1 3.55Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE1 3.52Å; L58-Y62 HydrophobicContact CD2-CE2 3.98Å; L58-Y62 HydrophobicContact CD2-CG 3.82Å; L58-Y62 HydrophobicContact CG-CD1 3.85Å; L58-Y62 HydrophobicContact CG-CE1 4.05Å; L58-Y62 HydrophobicContact CG-CG 4.37Å; L58-N63 PolarHBondContact O-ND2 2.78Å
59P43.8Very low36.7Very low87 Ų8794.6 Ų94.657%0.56555%0.546SS*.  trans-44.2138.4-178-28.133.6000111S61 Y62 N63P59-S61 CarbonylContact O-C 3.58Å; P59-S61 PolarHBondContact O-N 3.27Å; P59-Y62 VanDerWaalsContact O-CA 3.3Å; P59-Y62 WeakPolarHBondContact O-CA 3.43Å; P59-Y62 WeakPolarHBondContact O-CB 3.4Å; P59-Y62 PolarHBondContact O-N 3.41Å; P59-N63 PolarHBondContact O-N 3.01Å; P59-N63 VanDerWaalsContact O-N 3.12Å
60R38.4Very low37.8Very low209 Ų20994.2 Ų94.279%0.78953%0.528SS*.Hα-helixtrans-53.1-28.3-177.4-156.9172.8-175.8171-1.3112.8L58 L64L58-R60 PolarHBondContact O-N 2.86Å; R60-L64 WeakPolarHBondContact O-CB 3.43Å; R60-L64 PolarHBondContact O-N 3.27Å
61S37.9Very low38.9Very low46 Ų4687.8 Ų87.832%0.32250%0.5SS..Hα-helixtrans-67.7-36.1170.550.60000114.4P59 A65P59-S61 CarbonylContact O-C 3.58Å; P59-S61 PolarHBondContact O-N 3.27Å; S61-A65 WeakPolarHBondContact O-CB 3.41Å; S61-A65 PolarHBondContact O-N 3.38Å
62Y39.4Very low39.7Very low36 Ų3682.7 Ų82.714%0.14147%0.473CS..Hα-helixtrans-66-45171.5-175.6-85.7000111L58 P59 L64 A65 M66 L105 L110L58-Y62 HydrophobicContact CB-CD1 3.37Å; L58-Y62 HydrophobicContact CB-CE1 4.09Å; L58-Y62 HydrophobicContact CB-CG 3.78Å; L58-Y62 HydrophobicContact CD1-CD1 4.15Å; L58-Y62 HydrophobicContact CD1-CE1 4Å; L58-Y62 HydrophobicContact CD2-CD1 3.55Å; L58-Y62 HydrophobicContact CD2-CD2 4.03Å; L58-Y62 HydrophobicContact CD2-CE1 3.52Å; L58-Y62 HydrophobicContact CD2-CE2 3.98Å; L58-Y62 HydrophobicContact CD2-CG 3.82Å; L58-Y62 HydrophobicContact CG-CD1 3.85Å; L58-Y62 HydrophobicContact CG-CE1 4.05Å; L58-Y62 HydrophobicContact CG-CG 4.37Å; P59-Y62 VanDerWaalsContact O-CA 3.3Å; P59-Y62 WeakPolarHBondContact O-CA 3.43Å; P59-Y62 WeakPolarHBondContact O-CB 3.4Å; P59-Y62 PolarHBondContact O-N 3.41Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.34Å; Y62-A65 PolarHBondContact O-N 3.33Å; Y62-M66 HydrophobicContact CD1-CG 3.79Å; Y62-M66 HydrophobicContact CE1-CG 3.4Å; Y62-M66 VanDerWaalsContact CE1-CG 3.4Å; Y62-M66 HydrophobicContact CE1-SD 4.05Å; Y62-M66 WeakPolarHBondContact O-CB 3.31Å; Y62-M66 VanDerWaalsContact O-CG 3.29Å; Y62-M66 WeakPolarHBondContact O-CG 3.47Å; Y62-M66 PolarHBondContact O-N 3.36Å; Y62-L105 PolarHBondContact OH-O 3.1Å; Y62-L110 HydrophobicContact CE2-CD2 4.14Å
63N43.4Very low40.5Very low65 Ų6579.6 Ų79.635%0.34845%0.447SS..Hα-helixtrans-63.4-40.4177-66.2-21.9000111.6L58 P59 M66 E67L58-N63 PolarHBondContact O-ND2 2.78Å; P59-N63 PolarHBondContact O-N 3.01Å; P59-N63 VanDerWaalsContact O-N 3.12Å; N63-M66 WeakPolarHBondContact O-CB 3.34Å; N63-M66 PolarHBondContact O-N 3.2Å; N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 PolarHBondContact O-N 2.94Å
64L46.6Very low41.3Very low72 Ų7277 Ų7738%0.37743%0.426SS..Hα-helixtrans-63.8-43.5173.9-177.268.5000112.1R60 Y62 M66 E67 I68R60-L64 WeakPolarHBondContact O-CB 3.43Å; R60-L64 PolarHBondContact O-N 3.27Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.34Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.09Å; L64-E67 PolarHBondContact O-N 3Å; L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.99Å
65A41.7Very low42Very low36 Ų3673.5 Ų73.530%0.29840%0.401SS..Hα-helixtrans-61.7-42.6175.600000111.2S61 Y62 I68 L69S61-A65 WeakPolarHBondContact O-CB 3.41Å; S61-A65 PolarHBondContact O-N 3.38Å; Y62-A65 PolarHBondContact O-N 3.33Å; A65-I68 PolarHBondContact O-N 2.84Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CD1 3.32Å; A65-L69 WeakPolarHBondContact O-CD1 3.05Å; A65-L69 PolarHBondContact O-N 3.44Å
66M44.5Very low42.7Very low30 Ų3072.5 Ų72.515%0.14839%0.387CS..Hα-helixtrans-61.7-42.6174.9-75.1-59-57.700112.1Y62 N63 L64 L69 H70 L105 L110Y62-M66 HydrophobicContact CD1-CG 3.79Å; Y62-M66 HydrophobicContact CE1-CG 3.4Å; Y62-M66 VanDerWaalsContact CE1-CG 3.4Å; Y62-M66 HydrophobicContact CE1-SD 4.05Å; Y62-M66 WeakPolarHBondContact O-CB 3.31Å; Y62-M66 VanDerWaalsContact O-CG 3.29Å; Y62-M66 WeakPolarHBondContact O-CG 3.47Å; Y62-M66 PolarHBondContact O-N 3.36Å; N63-M66 WeakPolarHBondContact O-CB 3.34Å; N63-M66 PolarHBondContact O-N 3.2Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.09Å; M66-L69 WeakPolarHBondContact O-CB 3.45Å; M66-L69 PolarHBondContact O-N 2.9Å; M66-H70 WeakPolarHBondContact O-CB 3.17Å; M66-H70 PolarHBondContact O-CD2 3.25Å; M66-H70 VanDerWaalsContact O-CD2 3.22Å; M66-H70 PolarHBondContact O-N 3.26Å; M66-L105 HydrophobicContact CE-CD1 3.62Å; M66-L105 HydrophobicContact SD-CD1 4.4Å; M66-L110 HydrophobicContact SD-CD1 3.99Å
67E47.1Very low43.2Very low105 Ų10573 Ų7349%0.49138%0.375SS..Hα-helixtrans-64.8-42.5177.7-170.9177.5174.500111.9N63 L64 L69 H70 T71N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 PolarHBondContact O-N 2.94Å; L64-E67 PolarHBondContact O-N 3Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.48Å; E67-H70 PolarHBondContact O-N 3.3Å; E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 2.99Å
68I49.8Very low43.3Very low85 Ų8572.4 Ų72.444%0.43637%0.368SS..Hα-helixtrans-59.4-46.2173-69.4166.5000110.2L64 A65 T71 L72L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.99Å; A65-I68 PolarHBondContact O-N 2.84Å; I68-T71 PolarHBondContact O-N 2.79Å; I68-L72 HydrophobicContact CG2-CD1 3.77Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CD1 3.48Å; I68-L72 PolarHBondContact O-N 2.86Å
69L51.5Low43.4Very low25 Ų2572.5 Ų72.513%0.13137%0.367CS..Hα-helixtrans-62.9-45.9176.9-96.3135.9000112.9A65 M66 E67 T71 L72 A73 L110 L114 M117A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CD1 3.32Å; A65-L69 WeakPolarHBondContact O-CD1 3.05Å; A65-L69 PolarHBondContact O-N 3.44Å; M66-L69 WeakPolarHBondContact O-CB 3.45Å; M66-L69 PolarHBondContact O-N 2.9Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.96Å; L69-L110 HydrophobicContact CD1-CD1 3.39Å; L69-L114 HydrophobicContact CD1-CD2 4.27Å; L69-L114 HydrophobicContact CD2-CD2 4.09Å; L69-L114 HydrophobicContact CD2-CG 4.46Å; L69-L114 HydrophobicContact CG-CD2 4.39Å; L69-M117 HydrophobicContact CD2-CE 3.3Å; L69-M117 HydrophobicContact CG-CE 4.11Å
70H47.9Very low43.3Very low86 Ų8674.1 Ų74.140%0.39837%0.367SS..Hα-helixtrans-59.5-41.5176.2-92-78.3000111.3M66 E67 A73 A74M66-H70 WeakPolarHBondContact O-CB 3.17Å; M66-H70 PolarHBondContact O-CD2 3.25Å; M66-H70 VanDerWaalsContact O-CD2 3.22Å; M66-H70 PolarHBondContact O-N 3.26Å; E67-H70 PolarHBondContact O-N 3.3Å; H70-A73 PolarHBondContact O-N 3.11Å; H70-A74 VanDerWaalsContact O-CB 3.26Å; H70-A74 WeakPolarHBondContact O-CB 3.49Å; H70-A74 PolarHBondContact O-N 3.31Å
71T46.5Very low43.5Very low58 Ų5867.7 Ų67.736%0.35635%0.347SS..Hα-helixtrans-68-40.9178.9-52.80000111.6E67 I68 L69 R75 F136E67-T71 WeakPolarHBondContact O-CB 3.29Å; E67-T71 PolarHBondContact O-N 3.21Å; E67-T71 PolarHBondContact O-OG1 2.99Å; I68-T71 PolarHBondContact O-N 2.79Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.39Å; T71-R75 PolarHBondContact O-N 2.96Å; T71-R75 VanDerWaalsContact O-N 3.09Å; T71-F136 HydrophobicContact CG2-CE2 3.88Å
72L45.7Very low43.6Very low49 Ų4971.7 Ų71.726%0.25737%0.365SS..Hα-helixtrans-64.4-45.9174.5-91.2147.7000112.2I68 L69 R75 Q76 M117 W192I68-L72 HydrophobicContact CG2-CD1 3.77Å; I68-L72 WeakPolarHBondContact O-CB 3.44Å; I68-L72 WeakPolarHBondContact O-CD1 3.48Å; I68-L72 PolarHBondContact O-N 2.86Å; L69-L72 PolarHBondContact O-N 2.87Å; L72-R75 PolarHBondContact O-N 2.73Å; L72-Q76 PolarHBondContact O-N 2.72Å; L72-M117 HydrophobicContact CB-SD 4.29Å; L72-W192 HydrophobicContact CD1-CH2 4.36Å; L72-W192 HydrophobicContact CD1-CZ3 4.12Å; L72-W192 HydrophobicContact CD2-CH2 3.8Å; L72-W192 HydrophobicContact CD2-CZ2 4.46Å; L72-W192 HydrophobicContact CD2-CZ3 4.38Å
73A40.5Very low43.5Very low24 Ų2473.1 Ų73.120%0.19838%0.384CS..Hα-helixtrans-64.1-42.8178.100000111.9L69 H70 R75 Q76 Y77L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.96Å; H70-A73 PolarHBondContact O-N 3.11Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.26Å; A73-Q76 PolarHBondContact O-N 2.92Å; A73-Y77 PolarHBondContact O-N 3.19Å
74A42.9Very low43.4Very low51 Ų5172.5 Ų72.542%0.42138%0.384SS..Hα-helixtrans-61-36.1174.300000111.9H70 N78H70-A74 VanDerWaalsContact O-CB 3.26Å; H70-A74 WeakPolarHBondContact O-CB 3.49Å; H70-A74 PolarHBondContact O-N 3.31Å; A74-N78 WeakPolarHBondContact O-CB 3.43Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 2.89Å
75R41.1Very low42.9Very low80 Ų8075.1 Ų75.130%0.30240%0.399SS..Hα-helixtrans-72.1-38.5176-125.4-179.3-178.3-174.80.4112.9T71 L72 A73 Y77 N78 Q79T71-R75 PolarHBondContact O-N 2.96Å; T71-R75 VanDerWaalsContact O-N 3.09Å; L72-R75 PolarHBondContact O-N 2.73Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.26Å; R75-Y77 VanDerWaalsContact C-N 3.35Å; R75-N78 PolarHBondContact O-N 2.91Å; R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.22Å
76Q40.8Very low42.9Very low65 Ų6582.1 Ų82.130%0.30443%0.425SS..Hα-helixtrans-62.5-42.4173-78.6-168.4-45.800111.4L72 A73 Q79 H80 S120L72-Q76 PolarHBondContact O-N 2.72Å; A73-Q76 PolarHBondContact O-N 2.92Å; Q76-Q79 PolarHBondContact O-N 3.24Å; Q76-H80 WeakPolarHBondContact O-CB 3.32Å; Q76-H80 PolarHBondContact O-N 2.87Å; Q76-S120 PolarHBondContact NE2-OG 2.96Å
77Y41.4Very low42.4Very low137 Ų13789.4 Ų89.454%0.53746%0.456SS..Hα-helixtrans-62.1-45.8175.6-176.8-97.2000111.8A73 R75 Q79 H80 L81A73-Y77 PolarHBondContact O-N 3.19Å; R75-Y77 VanDerWaalsContact C-N 3.35Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.35Å; Y77-H80 PolarHBondContact O-N 3.45Å; Y77-L81 HydrophobicContact CE1-CD1 4.08Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE2-CD1 4.45Å; Y77-L81 PolarHBondContact O-N 2.91Å
78N38.9Very low41.7Very low89 Ų8992.1 Ų92.148%0.47647%0.474SS..Hα-helixtrans-64.5-35.3176.9-77-43.8000112.8A74 R75 L82A74-N78 WeakPolarHBondContact O-CB 3.43Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 2.89Å; R75-N78 PolarHBondContact O-N 2.91Å; N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 WeakPolarHBondContact O-CD1 3.2Å; N78-L82 VanDerWaalsContact O-CG 3.31Å; N78-L82 WeakPolarHBondContact O-CG 3.23Å; N78-L82 PolarHBondContact O-N 2.96Å
79Q41.1Very low40.6Very low88 Ų8893 Ų9341%0.41149%0.488SS..Hα-helixtrans-71.2-34.7172.8-75.1-169.112.100112.8R75 Q76 Y77 L82 A83R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.22Å; Q76-Q79 PolarHBondContact O-N 3.24Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.35Å; Q79-L82 PolarHBondContact O-N 2.98Å; Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.86Å
80H42.3Very low39.6Very low121 Ų12198.9 Ų98.956%0.5652%0.518SS*.Hα-helixtrans-66.5-39.5174.5-168.2-88.2000111.1Q76 Y77 A83 S84Q76-H80 WeakPolarHBondContact O-CB 3.32Å; Q76-H80 PolarHBondContact O-N 2.87Å; Y77-H80 PolarHBondContact O-N 3.45Å; H80-A83 PolarHBondContact O-N 3.34Å; H80-S84 WeakPolarHBondContact O-CB 3.28Å; H80-S84 PolarHBondContact O-N 3.06Å; H80-S84 PolarHBondContact O-OG 3.29Å
81L41.5Very low38.7Very low73 Ų73100.8 Ų100.838%0.38253%0.531SS..Hα-helixtrans-64.8-46.2174.4-128.873.4000111.9Y77 A83 S84 D85Y77-L81 HydrophobicContact CE1-CD1 4.08Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE2-CD1 4.45Å; Y77-L81 PolarHBondContact O-N 2.91Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.34Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 PolarHBondContact O-N 2.59Å; L81-S84 PolarHBondContact O-OG 3.41Å; L81-D85 PolarHBondContact O-N 3.3Å
82L40.8Very low37.9Very low131 Ų131103.7 Ų103.769%0.68655%0.553SS**Hα-helixtrans-68.9-26.5178.5-75.9160.8000113.5N78 Q79N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 WeakPolarHBondContact O-CD1 3.2Å; N78-L82 VanDerWaalsContact O-CG 3.31Å; N78-L82 WeakPolarHBondContact O-CG 3.23Å; N78-L82 PolarHBondContact O-N 2.96Å; Q79-L82 PolarHBondContact O-N 2.98Å
83A38.4Very low37.4Very low66 Ų66109.8 Ų109.855%0.54558%0.581SS.*Hα-helixtrans-86.1-26.6175.200000112.9Q79 H80 L81Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.86Å; H80-A83 PolarHBondContact O-N 3.34Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.34Å
84S40.4Very low36.8Very low51 Ų51115.1 Ų115.136%0.35761%0.605SS.*Hα-helixtrans-76.4-25175.553.40000113.3H80 L81 Q86 K87H80-S84 WeakPolarHBondContact O-CB 3.28Å; H80-S84 PolarHBondContact O-N 3.06Å; H80-S84 PolarHBondContact O-OG 3.29Å; L81-S84 WeakPolarHBondContact CA-OG 3.48Å; L81-S84 PolarHBondContact O-N 2.59Å; L81-S84 PolarHBondContact O-OG 3.41Å; S84-Q86 PolarHBondContact O-N 3.5Å; S84-Q86 VanDerWaalsContact O-N 3.17Å; S84-K87 PolarHBondContact O-N 2.96Å
85D36.5Very low36.1Very low128 Ų128118.1 Ų118.168%0.68462%0.622SS**THydrogen-bonded Turntrans-72.2-5179.7-73.8-19.3000114.3L81L81-D85 PolarHBondContact O-N 3.3Å
86Q40.8Very low35.5Very low182 Ų182122.6 Ų122.685%0.8565%0.647SS**THydrogen-bonded Turntrans-108.63.8173.5-74.8-166.3-12.500114.9S84S84-Q86 PolarHBondContact O-N 3.5Å; S84-Q86 VanDerWaalsContact O-N 3.17Å
87K34.7Very low34.9Very low184 Ų184127.9 Ų127.980%0.867%0.669SS**SBendtrans-126.689.8169.5-87.4-176.6175.6176.90110S84 S89S84-K87 PolarHBondContact O-N 2.96Å; K87-S89 PolarHBondContact O-N 3.37Å
88N31.7Very low34.3Very low161 Ų161126 Ų12686%0.86167%0.667SS**  trans-39131.2167.7-83.1-25.9000112.5
89S27.8Very low33.8Very low103 Ų103126.1 Ų126.172%0.7267%0.673SS**SBendtrans69125148-173.40000116.2K87K87-S89 PolarHBondContact O-N 3.37Å
90I31Very low33.3Very low149 Ų149125.3 Ų125.376%0.76467%0.668SS**  trans117.5111.6163.9-56.6152.2000112.3
91N28.6Very low32.9Very low126 Ų126127 Ų12767%0.67468%0.676SS**  trans98.868.8171.3-55.6-17.2000117.6E93N91-E93 PolarHBondContact O-N 2.95Å
92S29.8Very low32.2Very low119 Ų119128.9 Ų128.983%0.83270%0.696SS**THydrogen-bonded Turntrans-70.827.8164.964.90000114.7
93E33.9Very low31.9Very low177 Ų177128.7 Ų128.783%0.82770%0.695SS**THydrogen-bonded Turntrans-111.90.4179.3-83.5-169.3156.100114.2N91 S95N91-E93 PolarHBondContact O-N 2.95Å; E93-S95 PolarHBondContact O-N 3.38Å
94I29.5Very low31.6Very low137 Ų137131.3 Ų131.370%0.70371%0.707SS**  trans-93.539.9175-44.9176.6000110.6Q96I94-Q96 PolarHBondContact O-N 2.92Å
95S27.1Very low31.6Very low113 Ų113130.5 Ų130.579%0.7970%0.698SS**  trans-86.650.6159-66.90000109.9E93 K97E93-S95 PolarHBondContact O-N 3.38Å; S95-K97 VanDerWaalsContact C-N 3.27Å; S95-K97 PolarHBondContact O-N 3.42Å
96Q29.2Very low31.7Very low175 Ų175127.5 Ų127.582%0.81868%0.682SS**  trans-77.591.4161.2-79.9-171.15.600107.6I94 L98I94-Q96 PolarHBondContact O-N 2.92Å; Q96-L98 PolarHBondContact O-N 2.99Å
97K27.8Very low31.8Very low175 Ų175122.4 Ų122.476%0.76166%0.66SS**  trans-42.1102.9160-159.6-179.5-172.7-166.90107.4S95 P99S95-K97 VanDerWaalsContact C-N 3.27Å; S95-K97 PolarHBondContact O-N 3.42Å; K97-P99 WeakPolarHBondContact O-CD 3.47Å; K97-P99 VanDerWaalsContact O-N 3.09Å
98L29.3Very low32.3Very low98 Ų98118.3 Ų118.351%0.51364%0.644SS.*  trans-55.4120.6174.2-89.3146000106.7Q96 F100Q96-L98 PolarHBondContact O-N 2.99Å; L98-F100 HydrophobicContact CB-CD2 3.49Å; L98-F100 VanDerWaalsContact CB-CD2 3.49Å; L98-F100 HydrophobicContact CB-CE2 3.58Å; L98-F100 HydrophobicContact CB-CG 4.47Å; L98-F100 HydrophobicContact CD1-CE2 3.94Å; L98-F100 HydrophobicContact CD2-CD2 4.3Å; L98-F100 HydrophobicContact CD2-CE2 3.54Å; L98-F100 HydrophobicContact CD2-CZ 3.89Å; L98-F100 HydrophobicContact CG-CD2 4.3Å; L98-F100 HydrophobicContact CG-CE2 3.86Å; L98-F100 PolarHBondContact O-N 3.12Å
99P27.9Very low33Very low92 Ų92113.4 Ų113.460%0.59762%0.617SS**  trans-78.269.2-175.832.7-33000108.3K97K97-P99 WeakPolarHBondContact O-CD 3.47Å; K97-P99 VanDerWaalsContact O-N 3.09Å
100F30.9Very low33.8Very low71 Ų71109.3 Ų109.331%0.31159%0.588SS.*  trans-92.7-8.8174-74-57000112.6L98 Y113L98-F100 HydrophobicContact CB-CD2 3.49Å; L98-F100 VanDerWaalsContact CB-CD2 3.49Å; L98-F100 HydrophobicContact CB-CE2 3.58Å; L98-F100 HydrophobicContact CB-CG 4.47Å; L98-F100 HydrophobicContact CD1-CE2 3.94Å; L98-F100 HydrophobicContact CD2-CD2 4.3Å; L98-F100 HydrophobicContact CD2-CE2 3.54Å; L98-F100 HydrophobicContact CD2-CZ 3.89Å; L98-F100 HydrophobicContact CG-CD2 4.3Å; L98-F100 HydrophobicContact CG-CE2 3.86Å; L98-F100 PolarHBondContact O-N 3.12Å; F100-Y113 HydrophobicContact CE1-CD1 4.4Å; F100-Y113 AromaticContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CZ-CD1 4.3Å; F100-Y113 AromaticContact CZ-CE1 3.8Å; F100-Y113 HydrophobicContact CZ-CE1 3.8Å
101E32.5Very low34.4Very low155 Ų155102.5 Ų102.572%0.72455%0.553SS**SBendtrans-86.6116.1164.3-80.8176133.500108.6
102S28.7Very low35.3Very low114 Ų114100.9 Ų100.980%0.79754%0.544SS*.SBendtrans95.59.4157.480.30000122.5
103L33.3Very low36.3Very low126 Ų12698.5 Ų98.566%0.6652%0.517SS*.  trans-109.8124172.7-117.373.8000113.6L105L103-L105 PolarHBondContact O-N 3.47Å
104P33.1Very low36.9Very low122 Ų12291.1 Ų91.179%0.79248%0.483SS*.  trans-64.5100.7169.725.5-30.1000108.8N106P104-N106 PolarHBondContact O-N 2.84Å; P104-N106 VanDerWaalsContact O-N 3.15Å
105L39Very low37.8Very low34 Ų3487.3 Ų87.318%0.17846%0.464CS..  trans-66.6111.7178.5-73.9156.4000108.8Y62 M66 L103 N109 Y113Y62-L105 PolarHBondContact OH-O 3.1Å; M66-L105 HydrophobicContact CE-CD1 3.62Å; M66-L105 HydrophobicContact SD-CD1 4.4Å; L103-L105 PolarHBondContact O-N 3.47Å; L105-N109 HydrophobicContact CB-CB 4.38Å; L105-N109 HydrophobicContact CD2-CB 3.43Å; L105-N109 VanDerWaalsContact CD2-CB 3.43Å; L105-Y113 HydrophobicContact CD2-CD2 3.9Å; L105-Y113 HydrophobicContact CD2-CE2 3.47Å; L105-Y113 VanDerWaalsContact CD2-CE2 3.47Å
106N39.9Very low38.7Very low65 Ų6586.8 Ų86.835%0.34845%0.452SS..  trans-68.4162.9167.192.51.6000109.3P104 Q108 N109 L110P104-N106 PolarHBondContact O-N 2.84Å; P104-N106 VanDerWaalsContact O-N 3.15Å; N106-Q108 PolarHBondContact ND2-OE1 3.06Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.11Å; N106-Q108 WeakPolarHBondContact OD1-CA 2.98Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.37Å; N106-Q108 PolarHBondContact OD1-N 3.49Å; N106-N109 PolarHBondContact O-N 2.76Å; N106-N109 PolarHBondContact OD1-N 3.32Å; N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.16Å
107L42Very low39.3Very low74 Ų7479.3 Ų79.339%0.38742%0.418SS..Hα-helixtrans-56.9-28-179.9-151.6113.7000113.3S111 Q213 M217L107-S111 PolarHBondContact O-N 3.27Å; L107-S111 PolarHBondContact O-OG 3.15Å; L107-Q213 HydrophobicContact CD2-CB 4.02Å; L107-M217 HydrophobicContact CD2-SD 4.19Å
108Q44.5Very low40Very low99 Ų9971.8 Ų71.846%0.46339%0.386SS..Hα-helixtrans-68.6-40.3174.5-41.2-178.1-64.300111.7N106 S111 L112 M217N106-Q108 PolarHBondContact ND2-OE1 3.06Å; N106-Q108 PolarHBondContact O-N 2.81Å; N106-Q108 VanDerWaalsContact O-N 3.11Å; N106-Q108 WeakPolarHBondContact OD1-CA 2.98Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.37Å; N106-Q108 PolarHBondContact OD1-N 3.49Å; Q108-S111 VanDerWaalsContact C-OG 3.22Å; Q108-S111 WeakPolarHBondContact CA-OG 3.44Å; Q108-S111 PolarHBondContact O-N 3.34Å; Q108-S111 PolarHBondContact O-OG 2.95Å; Q108-L112 PolarHBondContact O-N 3.06Å; Q108-M217 HydrophobicContact CB-CE 4.02Å; Q108-M217 HydrophobicContact CG-CE 3.59Å
109N47Very low40.2Very low57 Ų5772.4 Ų72.431%0.30539%0.39SS..Hα-helixtrans-66.4-44.3176.1-69.2-18.1000110.2L105 N106 S111 L112 Y113L105-N109 HydrophobicContact CB-CB 4.38Å; L105-N109 HydrophobicContact CD2-CB 3.43Å; L105-N109 VanDerWaalsContact CD2-CB 3.43Å; N106-N109 PolarHBondContact O-N 2.76Å; N106-N109 PolarHBondContact OD1-N 3.32Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 3.38Å; N109-L112 WeakPolarHBondContact O-CB 3.35Å; N109-L112 PolarHBondContact O-N 2.76Å; N109-Y113 HydrophobicContact CB-CE2 4.5Å; N109-Y113 WeakPolarHBondContact O-CD2 3.42Å; N109-Y113 PolarHBondContact O-N 3.01Å
110L44.7Very low40.3Very low18 Ų1869.9 Ų69.99%0.09438%0.375CS..Hα-helixtrans-55.2-43.9173.2-17669.7000111.7Y62 M66 L69 N106 Y113 L114Y62-L110 HydrophobicContact CE2-CD2 4.14Å; M66-L110 HydrophobicContact SD-CD1 3.99Å; L69-L110 HydrophobicContact CD1-CD1 3.39Å; N106-L110 PolarHBondContact O-N 2.96Å; N106-L110 VanDerWaalsContact O-N 3.16Å; L110-Y113 PolarHBondContact O-N 3.28Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.5Å
111S44Very low40.1Very low6 Ų671.2 Ų71.24%0.04239%0.393CS..Hα-helixtrans-62.6-40.6174.9570000113.3L107 Q108 N109 Y113 L114 L115 L219L107-S111 PolarHBondContact O-N 3.27Å; L107-S111 PolarHBondContact O-OG 3.15Å; Q108-S111 VanDerWaalsContact C-OG 3.22Å; Q108-S111 WeakPolarHBondContact CA-OG 3.44Å; Q108-S111 PolarHBondContact O-N 3.34Å; Q108-S111 PolarHBondContact O-OG 2.95Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 3.38Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; S111-L114 PolarHBondContact O-N 2.94Å; S111-L115 VanDerWaalsContact O-CB 3.31Å; S111-L115 WeakPolarHBondContact O-CB 3.41Å; S111-L115 PolarHBondContact O-N 2.97Å; S111-L219 WeakPolarHBondContact OG-CD1 3.37Å
112L48.1Very low40Very low91 Ų9166.7 Ų66.748%0.47637%0.373SS..Hα-helixtrans-65.4-39177.4-133.379.7000111.3Q108 N109 L115 N116Q108-L112 PolarHBondContact O-N 3.06Å; N109-L112 WeakPolarHBondContact O-CB 3.35Å; N109-L112 PolarHBondContact O-N 2.76Å; L112-L115 PolarHBondContact O-N 3.11Å; L112-N116 WeakPolarHBondContact O-CB 3.36Å; L112-N116 PolarHBondContact O-N 3.16Å
113Y49.4Very low39.9Very low69 Ų6967.1 Ų67.127%0.27137%0.367SS..Hα-helixtrans-67.3-41.8176.4-82.7-73000112.3F100 L105 N109 L110 S111 L115 N116 M117F100-Y113 HydrophobicContact CE1-CD1 4.4Å; F100-Y113 AromaticContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CE1-CE1 3.85Å; F100-Y113 HydrophobicContact CZ-CD1 4.3Å; F100-Y113 AromaticContact CZ-CE1 3.8Å; F100-Y113 HydrophobicContact CZ-CE1 3.8Å; L105-Y113 HydrophobicContact CD2-CD2 3.9Å; L105-Y113 HydrophobicContact CD2-CE2 3.47Å; L105-Y113 VanDerWaalsContact CD2-CE2 3.47Å; N109-Y113 HydrophobicContact CB-CE2 4.5Å; N109-Y113 WeakPolarHBondContact O-CD2 3.42Å; N109-Y113 PolarHBondContact O-N 3.01Å; L110-Y113 PolarHBondContact O-N 3.28Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; Y113-N116 PolarHBondContact O-N 3.43Å; Y113-M117 PolarHBondContact O-N 3.48Å
114L48Very low39.6Very low23 Ų2363.4 Ų63.412%0.1235%0.351CS..Hα-helixtrans-64.6-38.6173.5-72.2167.6000111.6L69 L110 S111 M117 T118 L214L69-L114 HydrophobicContact CD1-CD2 4.27Å; L69-L114 HydrophobicContact CD2-CD2 4.09Å; L69-L114 HydrophobicContact CD2-CG 4.46Å; L69-L114 HydrophobicContact CG-CD2 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.5Å; S111-L114 PolarHBondContact O-N 2.94Å; L114-M117 HydrophobicContact CD2-CE 4.01Å; L114-T118 WeakPolarHBondContact O-CG2 3.43Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.34Å; L114-L214 HydrophobicContact CD1-CD1 4.23Å
115L47.4Very low39.3Very low57 Ų5761.3 Ų61.330%0.29833%0.333SS..Hα-helixtrans-67.4-40.6175.7-169.266.5000111.7S111 L112 Y113 T118 N119S111-L115 VanDerWaalsContact O-CB 3.31Å; S111-L115 WeakPolarHBondContact O-CB 3.41Å; S111-L115 PolarHBondContact O-N 2.97Å; L112-L115 PolarHBondContact O-N 3.11Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; L115-T118 WeakPolarHBondContact CA-OG1 3.03Å; L115-T118 PolarHBondContact O-N 2.85Å; L115-T118 PolarHBondContact O-OG1 3.48Å; L115-N119 WeakPolarHBondContact O-CB 3.49Å; L115-N119 VanDerWaalsContact O-CG 3.3Å; L115-N119 PolarHBondContact O-N 3.3Å; L115-N119 PolarHBondContact O-ND2 2.88Å
116N46.1Very low38.7Very low101 Ų10167.8 Ų67.854%0.5436%0.362SS..Hα-helixtrans-66.6-38.3176-87.3-1.9000112.8L112 Y113 T118 N119 S120L112-N116 WeakPolarHBondContact O-CB 3.36Å; L112-N116 PolarHBondContact O-N 3.16Å; Y113-N116 PolarHBondContact O-N 3.43Å; N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact O-N 3.33Å; N116-N119 PolarHBondContact O-N 2.97Å; N116-S120 PolarHBondContact O-N 2.94Å
117M42.3Very low38.2Very low19 Ų1968.2 Ų68.29%0.09436%0.363CS..Hα-helixtrans-65.7-35.7174.1-78.2-161.8-63.300112.3L69 L72 Y113 L114 S120 L122L69-M117 HydrophobicContact CD2-CE 3.3Å; L69-M117 HydrophobicContact CG-CE 4.11Å; L72-M117 HydrophobicContact CB-SD 4.29Å; Y113-M117 PolarHBondContact O-N 3.48Å; L114-M117 HydrophobicContact CD2-CE 4.01Å; M117-S120 PolarHBondContact O-OG 2.76Å; M117-L122 WeakPolarHBondContact O-CD1 3.41Å
118T41.8Very low37.5Very low17 Ų1770.6 Ų70.610%0.10438%0.376CS..Hα-helixtrans-75.6-29178.147.60000113.6L114 L115 N116 A185 L189L114-T118 WeakPolarHBondContact O-CG2 3.43Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.34Å; L115-T118 WeakPolarHBondContact CA-OG1 3.03Å; L115-T118 PolarHBondContact O-N 2.85Å; L115-T118 PolarHBondContact O-OG1 3.48Å; N116-T118 VanDerWaalsContact C-N 3.32Å; N116-T118 PolarHBondContact O-N 3.33Å; T118-A185 HydrophobicContact CG2-CB 4.25Å; T118-A185 WeakPolarHBondContact OG1-CB 3.21Å; T118-L189 HydrophobicContact CG2-CD1 3.77Å; T118-L189 HydrophobicContact CG2-CG 3.77Å
119N33.7Very low36.7Very low110 Ų11073.1 Ų73.159%0.58839%0.393SS*.Hα-helixtrans-83.9-16.4175-70.6-26.5000113.8L115 N116 S121L115-N119 WeakPolarHBondContact O-CB 3.49Å; L115-N119 VanDerWaalsContact O-CG 3.3Å; L115-N119 PolarHBondContact O-N 3.3Å; L115-N119 PolarHBondContact O-ND2 2.88Å; N116-N119 PolarHBondContact O-N 2.97Å; N119-S121 PolarHBondContact O-N 3.4Å
120S29.6Very low35.8Very low39 Ų3976.1 Ų76.127%0.27341%0.409SS..SBendtrans-70128.6170.266.50000109.5Q76 N116 M117 L122Q76-S120 PolarHBondContact NE2-OG 2.96Å; N116-S120 PolarHBondContact O-N 2.94Å; M117-S120 PolarHBondContact O-OG 2.76Å; S120-L122 PolarHBondContact O-N 3.19Å
121S27.5Very low35.2Very low99 Ų9982.5 Ų82.569%0.69244%0.443SS*.  trans-6290.5169.7580000107.5N119 N123N119-S121 PolarHBondContact O-N 3.4Å; S121-N123 PolarHBondContact O-N 3.16Å
122L29.9Very low34.5Very low60 Ų6085.5 Ų85.531%0.31446%0.464SS..  trans-58.995.4162.1-89.791.8000105.4M117 S120 S124M117-L122 WeakPolarHBondContact O-CD1 3.41Å; S120-L122 PolarHBondContact O-N 3.19Å; L122-S124 PolarHBondContact O-N 3.14Å
123N27Very low33.7Very low123 Ų12384.2 Ų84.266%0.65846%0.463SS*.  trans-48.4128.1162.4-76.7-36.6000105.6S121 I125S121-N123 PolarHBondContact O-N 3.16Å; N123-I125 PolarHBondContact O-N 3.26Å; N123-I125 VanDerWaalsContact O-N 3.09Å
124S26.4Very low32.7Very low49 Ų4985.8 Ų85.834%0.34348%0.476SS..  trans-37.6123.2-179.159.20000108.7L122 Q126L122-S124 PolarHBondContact O-N 3.14Å; S124-Q126 PolarHBondContact O-N 3.37Å
125I27.3Very low31.9Very low78 Ų7890.1 Ų90.140%0.450%0.499SS..  trans-6086.4172.1-66.2169000105.9N123 M127N123-I125 PolarHBondContact O-N 3.26Å; N123-I125 VanDerWaalsContact O-N 3.09Å; I125-M127 HydrophobicContact CG2-CB 4.41Å; I125-M127 HydrophobicContact CG2-CE 3.92Å; I125-M127 HydrophobicContact CG2-CG 3.41Å; I125-M127 VanDerWaalsContact CG2-CG 3.41Å; I125-M127 HydrophobicContact CG2-SD 4.49Å; I125-M127 PolarHBondContact O-N 2.89Å
126Q26.1Very low31.2Very low169 Ų16990.7 Ų90.779%0.7950%0.499SS*.  trans-77.478.2168.6-167.8174.6-5.900104.2S124 N128S124-Q126 PolarHBondContact O-N 3.37Å; Q126-N128 PolarHBondContact O-N 2.77Å
127M29.7Very low30.6Very low75 Ų7587.3 Ų87.337%0.36948%0.484SS..  trans-63.389.6164.6-79.5-87.3179.700105.9I125 N129I125-M127 HydrophobicContact CG2-CB 4.41Å; I125-M127 HydrophobicContact CG2-CE 3.92Å; I125-M127 HydrophobicContact CG2-CG 3.41Å; I125-M127 VanDerWaalsContact CG2-CG 3.41Å; I125-M127 HydrophobicContact CG2-SD 4.49Å; I125-M127 PolarHBondContact O-N 2.89Å; M127-N129 PolarHBondContact O-N 2.85Å
128N27.2Very low30.1Very low124 Ų12490.1 Ų90.166%0.66350%0.499SS*.  trans-59.1126.9166.3-156.3-0.3000106.3Q126 N130Q126-N128 PolarHBondContact O-N 2.77Å; N128-N130 PolarHBondContact O-N 3.04Å
129N27.3Very low29.8Very low152 Ų15294.6 Ų94.681%0.81352%0.519SS*.SBendtrans-64.328.4-164.1-88.5-23.6000115.8M127M127-N129 PolarHBondContact O-N 2.85Å
130N28.8Very low29.8Very low120 Ų12093.1 Ų93.164%0.64251%0.51SS*.SBendtrans-112.192-171.7-67.9-11000110.5N128 S132N128-N130 PolarHBondContact O-N 3.04Å; N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 3.42Å
131N30.8Very low30.2Very low152 Ų15293.3 Ų93.381%0.81351%0.506SS*.SBendtrans60.6-5.6152.6-65.7-18.5000121
132S30.1Very low30.6Very low69 Ų6990.8 Ų90.848%0.48349%0.489SS..  trans-105.9-2.1-179.582.80000115.6N130 N134N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 3.42Å; S132-N134 VanDerWaalsContact C-N 3.32Å
133S30.9Very low30.9Very low64 Ų6489.9 Ų89.945%0.44849%0.486SS..Hα-helixtrans-75.6-22-179.666.60000113
134N29.6Very low31.3Very low102 Ų10288.5 Ų88.555%0.54548%0.478SS..Hα-helixtrans-72.9-28.8176.2-74.6-18.6000112.4S132 F136 N138S132-N134 VanDerWaalsContact C-N 3.32Å; N134-F136 PolarHBondContact O-N 2.82Å; N134-N138 WeakPolarHBondContact O-CB 3.46Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 2.64Å
135D31.3Very low31.8Very low114 Ų11490.2 Ų90.261%0.6148%0.483SS*.Hα-helixtrans-70.4-34.8-173.8-76.6-22000113.5H139D135-H139 WeakPolarHBondContact O-CA 3.25Å; D135-H139 WeakPolarHBondContact O-CB 3.42Å; D135-H139 PolarHBondContact O-N 3.45Å
136F31Very low32.1Very low68 Ų6891.2 Ų91.230%0.29849%0.489SS..Hα-helixtrans-77.6-40.5179-174.2-104.7000112.5T71 N134 N138 H139 I140T71-F136 HydrophobicContact CG2-CE2 3.88Å; N134-F136 PolarHBondContact O-N 2.82Å; F136-N138 VanDerWaalsContact C-N 3.34Å; F136-H139 PolarHBondContact O-N 2.77Å; F136-I140 HydrophobicContact CD1-CD1 3.88Å; F136-I140 HydrophobicContact CE1-CD1 3.29Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.06Å; F136-I140 HydrophobicContact CE2-CG1 4.42Å; F136-I140 HydrophobicContact CZ-CD1 3.41Å; F136-I140 VanDerWaalsContact CZ-CD1 3.41Å; F136-I140 HydrophobicContact CZ-CG1 4.24Å; F136-I140 WeakPolarHBondContact O-CB 3.19Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.63Å
137S33.5Very low32.7Very low31 Ų3187.3 Ų87.322%0.21747%0.474CS..Hα-helixtrans-65.9-41174.8-159.20000110.5Q141 I169S137-Q141 WeakPolarHBondContact O-CB 3.28Å; S137-Q141 WeakPolarHBondContact O-CG 3.46Å; S137-Q141 PolarHBondContact O-N 2.98Å; S137-I169 WeakPolarHBondContact OG-CD1 3.22Å
138N31.8Very low32.9Very low78 Ų7891 Ų9142%0.41748%0.484SS..Hα-helixtrans-72.4-30.6174.9-67.4-23.9000112.8N134 F136 S142N134-N138 WeakPolarHBondContact O-CB 3.46Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 2.64Å; F136-N138 VanDerWaalsContact C-N 3.34Å; N138-S142 WeakPolarHBondContact O-CA 3.16Å; N138-S142 WeakPolarHBondContact O-CB 3.37Å; N138-S142 PolarHBondContact O-N 3.48Å; N138-S142 PolarHBondContact O-OG 3.49Å; N138-S142 VanDerWaalsContact O-OG 3.09Å
139H35.8Very low33.2Very low111 Ų11189.7 Ų89.751%0.51448%0.477SS..Hα-helixtrans-75.2-41.4176.3-17319.6000111.6D135 F136 Q141 S142 T143D135-H139 WeakPolarHBondContact O-CA 3.25Å; D135-H139 WeakPolarHBondContact O-CB 3.42Å; D135-H139 PolarHBondContact O-N 3.45Å; F136-H139 PolarHBondContact O-N 2.77Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; H139-S142 WeakPolarHBondContact CA-OG 3.27Å; H139-S142 PolarHBondContact O-N 3.22Å; H139-S142 PolarHBondContact O-OG 3.24Å; H139-T143 PolarHBondContact CE1-OG1 2.91Å; H139-T143 PolarHBondContact ND1-OG1 2.78Å; H139-T143 VanDerWaalsContact ND1-OG1 3.16Å; H139-T143 VanDerWaalsContact O-CB 3.28Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 3.28Å; H139-T143 PolarHBondContact O-OG1 2.77Å
140I35Very low33.6Very low78 Ų7890.7 Ų90.740%0.447%0.474SS..Hα-helixtrans-63-44.2170.1-71.5-177.3000109.9F136 L144F136-I140 HydrophobicContact CD1-CD1 3.88Å; F136-I140 HydrophobicContact CE1-CD1 3.29Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.06Å; F136-I140 HydrophobicContact CE2-CG1 4.42Å; F136-I140 HydrophobicContact CZ-CD1 3.41Å; F136-I140 VanDerWaalsContact CZ-CD1 3.41Å; F136-I140 HydrophobicContact CZ-CG1 4.24Å; F136-I140 WeakPolarHBondContact O-CB 3.19Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.63Å; I140-L144 HydrophobicContact CG2-CD1 3.52Å; I140-L144 HydrophobicContact CG2-CG 4.26Å; I140-L144 WeakPolarHBondContact O-CB 3.18Å; I140-L144 WeakPolarHBondContact O-CD1 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.08Å
141Q36.3Very low33.8Very low43 Ų4388.9 Ų88.920%0.20147%0.47CS..Hα-helixtrans-65.9-38176.3-80.8176.127.900113.8S137 H139 N145 M166S137-Q141 WeakPolarHBondContact O-CB 3.28Å; S137-Q141 WeakPolarHBondContact O-CG 3.46Å; S137-Q141 PolarHBondContact O-N 2.98Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-N145 WeakPolarHBondContact O-CA 3.1Å; Q141-N145 WeakPolarHBondContact O-CB 3.28Å; Q141-N145 VanDerWaalsContact O-CG 3.29Å; Q141-N145 PolarHBondContact O-N 2.81Å; Q141-N145 PolarHBondContact O-ND2 3.39Å; Q141-M166 HydrophobicContact CG-CE 4.17Å; Q141-M166 VanDerWaalsContact NE2-CE 3.32Å; Q141-M166 PolarHBondContact NE2-SD 3.48Å; Q141-M166 PolarHBondContact OE1-SD 3.36Å
142S36.6Very low33.9Very low47 Ų4786.8 Ų86.833%0.32946%0.458SS..Hα-helixtrans-73.9-38.8-179.6710000110.9N138 H139 N145 N146N138-S142 WeakPolarHBondContact O-CA 3.16Å; N138-S142 WeakPolarHBondContact O-CB 3.37Å; N138-S142 PolarHBondContact O-N 3.48Å; N138-S142 PolarHBondContact O-OG 3.49Å; N138-S142 VanDerWaalsContact O-OG 3.09Å; H139-S142 WeakPolarHBondContact CA-OG 3.27Å; H139-S142 PolarHBondContact O-N 3.22Å; H139-S142 PolarHBondContact O-OG 3.24Å; S142-N145 PolarHBondContact O-N 3.25Å; S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 PolarHBondContact O-N 2.92Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å
143T36.1Very low33.9Very low41 Ų4192 Ų9225%0.25248%0.475SS..Hα-helixtrans-68.2-45.7175.8-44.60000109.9H139 D147H139-T143 PolarHBondContact CE1-OG1 2.91Å; H139-T143 PolarHBondContact ND1-OG1 2.78Å; H139-T143 VanDerWaalsContact ND1-OG1 3.16Å; H139-T143 VanDerWaalsContact O-CB 3.28Å; H139-T143 WeakPolarHBondContact O-CB 3.48Å; H139-T143 PolarHBondContact O-N 3.28Å; H139-T143 PolarHBondContact O-OG1 2.77Å; T143-D147 WeakPolarHBondContact O-CB 3.39Å; T143-D147 PolarHBondContact O-N 3.47Å
144L36Very low34.1Very low93 Ų9395 Ų9549%0.48749%0.491SS..Hα-helixtrans-63.3-44173.5-70.8170.8000112.1I140 W148I140-L144 HydrophobicContact CG2-CD1 3.52Å; I140-L144 HydrophobicContact CG2-CG 4.26Å; I140-L144 WeakPolarHBondContact O-CB 3.18Å; I140-L144 WeakPolarHBondContact O-CD1 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.08Å; L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 3.45Å
145N36.2Very low34Very low86 Ų8695 Ų9546%0.4650%0.499SS..Hα-helixtrans-71.7-38.5-179.9-84-22000113.2Q141 S142 W148 N149Q141-N145 WeakPolarHBondContact O-CA 3.1Å; Q141-N145 WeakPolarHBondContact O-CB 3.28Å; Q141-N145 VanDerWaalsContact O-CG 3.29Å; Q141-N145 PolarHBondContact O-N 2.81Å; Q141-N145 PolarHBondContact O-ND2 3.39Å; S142-N145 PolarHBondContact O-N 3.25Å; N145-W148 PolarHBondContact O-N 3.24Å; N145-N149 VanDerWaalsContact O-CB 3.32Å; N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 2.98Å; N145-N149 PolarHBondContact O-ND2 3.24Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å
146N34.1Very low34.1Very low99 Ų9994.8 Ų94.853%0.52950%0.504SS..Hα-helixtrans-72.9-36.1-178.8-70.2-25.4000111.5S142 K150S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 PolarHBondContact O-N 2.92Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å; N146-K150 PolarHBondContact O-N 3.36Å
147D37.7Very low33.9Very low86 Ų8696.9 Ų96.946%0.4652%0.522SS..Hα-helixtrans-76.5-28.2173.8-71.8-23.5000112.3T143 C151T143-D147 WeakPolarHBondContact O-CB 3.39Å; T143-D147 PolarHBondContact O-N 3.47Å; D147-C151 PolarHBondContact O-N 3.36Å; D147-C151 PolarHBondContact O-SG 3.03Å
148W34.7Very low33.7Very low154 Ų154102.3 Ų102.358%0.58355%0.554SS**Hα-helixtrans-72.3-35.8172.6-158.9-97.1000112.5L144 N145 K150 C151 N152L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 3.45Å; N145-W148 PolarHBondContact O-N 3.24Å; W148-K150 VanDerWaalsContact C-N 3.33Å; W148-C151 PolarHBondContact O-N 3.45Å; W148-N152 PolarHBondContact O-ND2 3.26Å
149N32.7Very low33.5Very low96 Ų96105.2 Ų105.251%0.51358%0.579SS.*Hα-helixtrans-70.1-29175.1-72.9-27.6000112.6N145 C151N145-N149 VanDerWaalsContact O-CB 3.32Å; N145-N149 WeakPolarHBondContact O-CB 3.47Å; N145-N149 PolarHBondContact O-N 2.98Å; N145-N149 PolarHBondContact O-ND2 3.24Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å; N149-C151 VanDerWaalsContact C-N 3.32Å
150K35.7Very low32.9Very low173 Ų173111.3 Ų111.375%0.75260%0.598SS**Hα-helixtrans-75.2-16.4171.7-79.1-175.5174.2-172.50114.2N146 W148N146-K150 PolarHBondContact O-N 3.36Å; W148-K150 VanDerWaalsContact C-N 3.33Å
151C33.1Very low32.5Very low82 Ų82116.3 Ų116.355%0.55462%0.62SS**THydrogen-bonded Turntrans-88.3-0.8176.1-67.10000113.7D147 W148 N149D147-C151 PolarHBondContact O-N 3.36Å; D147-C151 PolarHBondContact O-SG 3.03Å; W148-C151 PolarHBondContact O-N 3.45Å; N149-C151 VanDerWaalsContact C-N 3.32Å
152N33.3Very low32Very low107 Ų107119.9 Ų119.957%0.57265%0.649SS**SBendtrans-95.81.4-173.1-80.1-25000115.5W148W148-N152 PolarHBondContact O-ND2 3.26Å
153E31.3Very low31.4Very low179 Ų179129.7 Ų129.784%0.83668%0.679SS**SBendtrans-92.9-1.5-173.4-68.6-170.3166.900115.7
154T33.4Very low31Very low127 Ų127133.5 Ų133.578%0.77970%0.702SS**SBendtrans-124.772.5173.343.60000111.3
155S29.2Very low30.7Very low103 Ų103134.4 Ų134.472%0.7271%0.712SS**  trans15.6152.5149.446.80000122.3
156P33.3Very low30.2Very low108 Ų108135.7 Ų135.770%0.70172%0.717SS**  cis-144.6-178.9-42.440.2-21.9000114.6
157T26.5Very low29.9Very low113 Ų113137.4 Ų137.469%0.69373%0.726SS**  trans86.654.4150.355.20000122.7
158T28.4Very low29.7Very low144 Ų144137.9 Ų137.988%0.88373%0.732SS**  trans-16653.6143.4-8.30000115.9
159C27.4Very low29.5Very low140 Ų140134.4 Ų134.495%0.94672%0.724SS**  trans-147.672.8168.3-97.80000111.4
160R23.7Very low29.5Very low238 Ų238135.8 Ų135.890%0.89873%0.731SS**  trans-103.3129161.4-106.3-174.8174.1-172.8-0.5107.2
161Q26.6Very low29.1Very low184 Ų184133 Ų13386%0.8672%0.724SS**  trans87.588.2169-58.6172.6-1100117.4
162S27Very low29Very low117 Ų117131.6 Ų131.682%0.81872%0.719SS**  trans-152.964.1139.6-73.50000108.5T164S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.12Å
163R23.8Very low29Very low253 Ų253131.2 Ų131.296%0.95572%0.716SS**  trans-85.381.8166.9-164.4-176.9-156.6-165.45.9106.5
164T27.1Very low28.9Very low121 Ų121130.6 Ų130.674%0.74271%0.707SS**  trans-118.9112171.6-22.70000107.8S162 M166S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.12Å; T164-M166 PolarHBondContact O-N 3.25Å
165T29.7Very low28.8Very low113 Ų113131.7 Ų131.769%0.69371%0.707SS**  trans-56.291.4176.543.70000111.6N167T165-N167 PolarHBondContact O-N 2.69Å; T165-N167 VanDerWaalsContact O-N 3.09Å
166M26Very low28.9Very low113 Ų113130.3 Ų130.356%0.55770%0.698SS**  30.860.9119.7-148.6-173.5-85.300118.4Q141 T164Q141-M166 HydrophobicContact CG-CE 4.17Å; Q141-M166 VanDerWaalsContact NE2-CE 3.32Å; Q141-M166 PolarHBondContact NE2-SD 3.48Å; Q141-M166 PolarHBondContact OE1-SD 3.36Å; T164-M166 PolarHBondContact O-N 3.25Å
167N27.1Very low28.9Very low135 Ų135131.8 Ų131.872%0.72269%0.693SS**  trans-125.415.8174.9-71.9-1.1000114.1T165T165-N167 PolarHBondContact O-N 2.69Å; T165-N167 VanDerWaalsContact O-N 3.09Å
168T33.1Very low29Very low95 Ų95132.3 Ų132.358%0.58369%0.691SS**  trans-12010.4-167.627.20000116D170T168-D170 VanDerWaalsContact C-N 3.33Å
169I31.3Very low29.1Very low82 Ų82130.7 Ų130.742%0.42168%0.678SS.*Hα-helixtrans-76.2-23.9177.6-61.1174.5000111.3S137 D171 L173S137-I169 WeakPolarHBondContact OG-CD1 3.22Å; I169-D171 PolarHBondContact O-N 2.93Å; I169-L173 HydrophobicContact CG2-CD1 4.41Å
170D31.9Very low29.5Very low125 Ų125131.3 Ų131.367%0.66867%0.671SS**Hα-helixtrans-71.3-27.3178.7-67.1-40.1000113.4T168 L173 Y174T168-D170 VanDerWaalsContact C-N 3.33Å; D170-L173 PolarHBondContact O-N 2.61Å; D170-Y174 PolarHBondContact O-N 3.17Å
171D28.5Very low30.1Very low113 Ų113125.4 Ų125.460%0.60466%0.657SS**Hα-helixtrans-76.4-28.3-178.3-72.9-25.9000113I169 L173I169-D171 PolarHBondContact O-N 2.93Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.9Å
172A30.9Very low30.5Very low54 Ų54125.5 Ų125.545%0.44666%0.663SS.*Hα-helixtrans-75.2-18.4174.800000112.8T195A172-T195 HydrophobicContact CB-CG2 3.95Å
173L32.7Very low31Very low98 Ų98123.9 Ų123.951%0.51365%0.645SS.*Hα-helixtrans-92.7-13.1-178.8-88.8155.1000113.5I169 D170 D171I169-L173 HydrophobicContact CG2-CD1 4.41Å; D170-L173 PolarHBondContact O-N 2.61Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 2.9Å
174Y29.7Very low31.9Very low166 Ų166115.9 Ų115.965%0.65162%0.621SS**SBendtrans-83.8-17.5179.7-142.3-89.7000113.9D170 S176D170-Y174 PolarHBondContact O-N 3.17Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å
175I31.3Very low32.3Very low150 Ų150110.8 Ų110.877%0.76959%0.591SS**THydrogen-bonded Turntrans-79.5-9.3-176.9-56.8175.7000112.3
176S31.6Very low32.8Very low75 Ų75110.6 Ų110.652%0.52458%0.579SS.*THydrogen-bonded Turntrans-94.86.4179.1-173.70000114.5Y174Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å
177K32.7Very low33.7Very low138 Ų138110.1 Ų110.160%0.658%0.575SS**  trans-83.6-10.5-175.5-99.2179176.4174.30115.4N179K177-N179 PolarHBondContact O-N 3.42Å
178D29Very low34.4Very low124 Ų124108 Ų10866%0.66356%0.557SS**  trans-90.490.3176.7-77.6-24.3000110.9N180D178-N180 PolarHBondContact O-N 2.73Å
179N30.6Very low34.9Very low111 Ų111104.2 Ų104.259%0.59453%0.533SS*.THydrogen-bonded Turntrans-64.218.9-179-77.7-22.9000115.8K177K177-N179 PolarHBondContact O-N 3.42Å
180N35.4Very low35.7Very low152 Ų152102 Ų10281%0.81353%0.527SS*.THydrogen-bonded Turntrans-133.12.8-171.9-71.5-29.9000116.1D178D178-N180 PolarHBondContact O-N 2.73Å
181N35.8Very low36.5Very low114 Ų11498.1 Ų98.161%0.6151%0.513SS*.  trans-109.1114.8178.8-74-24.6000111.4L183N181-L183 HydrophobicContact CB-CD1 4.16Å; N181-L183 PolarHBondContact O-N 2.9Å
182L34.7Very low37.5Very low186 Ų18697 Ų9797%0.97450%0.5SS*.  trans-58.462.4165.4-89.2142.8000110.7N184L182-N184 PolarHBondContact O-N 2.87Å
183L37.1Very low38.2Very low83 Ų8396 Ų9644%0.43549%0.489SS..  trans-62.7123.9168.6-110.887.1000107.5N181 E187 R188N181-L183 HydrophobicContact CB-CD1 4.16Å; N181-L183 PolarHBondContact O-N 2.9Å; L183-E187 HydrophobicContact CB-CB 4.45Å; L183-E187 HydrophobicContact CD2-CB 3.75Å; L183-E187 HydrophobicContact CG-CB 4.1Å; L183-E187 WeakPolarHBondContact CG-OE2 3.5Å; L183-R188 HydrophobicContact CB-CG 4.3Å
184N44Very low38.9Very low85 Ų8594.6 Ų94.646%0.45549%0.488SS..  trans-52.6141.1180-173.9-15.8000109.2L182 Y186 E187 R188L182-N184 PolarHBondContact O-N 2.87Å; N184-Y186 CarbonylContact O-C 3.58Å; N184-Y186 PolarHBondContact O-N 3.44Å; N184-Y186 PolarHBondContact OD1-N 3.31Å; N184-E187 HydrophobicContact CB-CG 4.24Å; N184-E187 PolarHBondContact N-OE2 3.46Å; N184-E187 WeakPolarHBondContact O-CA 3.33Å; N184-E187 WeakPolarHBondContact O-CB 3.2Å; N184-E187 PolarHBondContact O-N 3.48Å; N184-R188 PolarHBondContact O-N 3.37Å
185A36.3Very low39.7Very low15 Ų1590.4 Ų90.412%0.12448%0.48CS..Hα-helixtrans-46.5-33.9175.200000112.2T118 R188 L189T118-A185 HydrophobicContact CG2-CB 4.25Å; T118-A185 WeakPolarHBondContact OG1-CB 3.21Å; A185-R188 PolarHBondContact O-N 3.28Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 2.82Å
186Y38.9Very low40.3Very low109 Ų10985.5 Ų85.543%0.42746%0.455SS..Hα-helixtrans-65.7-41173.9-158.5-88.7000114N184 L189 A190 L211N184-Y186 CarbonylContact O-C 3.58Å; N184-Y186 PolarHBondContact O-N 3.44Å; N184-Y186 PolarHBondContact OD1-N 3.31Å; Y186-L189 PolarHBondContact O-N 2.88Å; Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.34Å; Y186-L211 HydrophobicContact CD2-CD2 4.14Å; Y186-L211 HydrophobicContact CE1-CD2 4.15Å; Y186-L211 HydrophobicContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CZ-CD2 3.44Å; Y186-L211 WeakPolarHBondContact OH-CD2 3.48Å
187E45.8Very low40.7Very low103 Ų10385.6 Ų85.648%0.48146%0.456SS..Hα-helixtrans-71.1-33.4176.5-69.3179.2141.100111.6L183 N184 A190 A191L183-E187 HydrophobicContact CB-CB 4.45Å; L183-E187 HydrophobicContact CD2-CB 3.75Å; L183-E187 HydrophobicContact CG-CB 4.1Å; L183-E187 WeakPolarHBondContact CG-OE2 3.5Å; N184-E187 HydrophobicContact CB-CG 4.24Å; N184-E187 PolarHBondContact N-OE2 3.46Å; N184-E187 WeakPolarHBondContact O-CA 3.33Å; N184-E187 WeakPolarHBondContact O-CB 3.2Å; N184-E187 PolarHBondContact O-N 3.48Å; E187-A190 PolarHBondContact O-N 2.9Å; E187-A191 VanDerWaalsContact O-CB 3.22Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.89Å
188R41.8Very low41.2Very low89 Ų8986.2 Ų86.234%0.33647%0.465SS..Hα-helixtrans-65.6-44.6171.2-71.5-178.6161.7-145-7.7111.7L183 N184 A185 A191 W192L183-R188 HydrophobicContact CB-CG 4.3Å; N184-R188 PolarHBondContact O-N 3.37Å; A185-R188 PolarHBondContact O-N 3.28Å; R188-A191 PolarHBondContact O-N 2.9Å; R188-W192 PolarHBondContact O-N 3.27Å
189L44Very low41.7Very low16 Ų1681.6 Ų81.68%0.08444%0.444CS..Hα-helixtrans-66.6-36.4174.2-86.5159.2000112.4T118 A185 Y186 W192 S193 F207 L211T118-L189 HydrophobicContact CG2-CD1 3.77Å; T118-L189 HydrophobicContact CG2-CG 3.77Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 2.82Å; Y186-L189 PolarHBondContact O-N 2.88Å; L189-W192 PolarHBondContact O-N 3.37Å; L189-S193 WeakPolarHBondContact O-CB 3.39Å; L189-S193 PolarHBondContact O-N 2.79Å; L189-F207 HydrophobicContact CD2-CZ 3.99Å; L189-L211 HydrophobicContact CB-CD1 4.43Å
190A47.5Very low42.2Very low37 Ų3778.3 Ų78.331%0.30643%0.431SS..Hα-helixtrans-69.3-39.3174.400000111.4Y186 E187 W192 S193 S194Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.34Å; E187-A190 PolarHBondContact O-N 2.9Å; A190-W192 VanDerWaalsContact C-N 3.34Å; A190-S193 WeakPolarHBondContact O-CA 3.44Å; A190-S193 WeakPolarHBondContact O-CB 3.2Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.3Å; A190-S194 PolarHBondContact O-N 3.06Å
191A48.1Very low42.5Very low43 Ų4375.5 Ų75.536%0.35542%0.42SS..Hα-helixtrans-61.4-44171.400000110.4E187 R188 S193 S194 T195E187-A191 VanDerWaalsContact O-CB 3.22Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.89Å; R188-A191 PolarHBondContact O-N 2.9Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 3.16Å; A191-S194 WeakPolarHBondContact O-CB 3.49Å; A191-S194 PolarHBondContact O-N 3.3Å; A191-S194 VanDerWaalsContact O-N 3.08Å; A191-S194 PolarHBondContact O-OG 3.47Å; A191-T195 PolarHBondContact O-N 2.89Å
192W49.3Very low42.4Very low88 Ų8873 Ų7333%0.33341%0.411SS..Hα-helixtrans-61.3-40.8172-76.115.4000112.2L72 R188 L189 A190 S194 T195 L196L72-W192 HydrophobicContact CD1-CH2 4.36Å; L72-W192 HydrophobicContact CD1-CZ3 4.12Å; L72-W192 HydrophobicContact CD2-CH2 3.8Å; L72-W192 HydrophobicContact CD2-CZ2 4.46Å; L72-W192 HydrophobicContact CD2-CZ3 4.38Å; R188-W192 PolarHBondContact O-N 3.27Å; L189-W192 PolarHBondContact O-N 3.37Å; A190-W192 VanDerWaalsContact C-N 3.34Å; W192-S194 PolarHBondContact O-N 3.3Å; W192-T195 WeakPolarHBondContact CA-OG1 3.25Å; W192-T195 PolarHBondContact O-N 2.74Å; W192-T195 PolarHBondContact O-OG1 2.94Å; W192-L196 VanDerWaalsContact O-CD1 3.25Å; W192-L196 WeakPolarHBondContact O-CD1 3.3Å; W192-L196 PolarHBondContact O-N 2.95Å
193S46.3Very low42.7Very low33 Ų3365 Ų6523%0.23137%0.372CS..Hα-helixtrans-58.6-37.4173.492.40000112.1L189 A190 A191 T195 L196L189-S193 WeakPolarHBondContact O-CB 3.39Å; L189-S193 PolarHBondContact O-N 2.79Å; A190-S193 WeakPolarHBondContact O-CA 3.44Å; A190-S193 WeakPolarHBondContact O-CB 3.2Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.3Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 3.16Å; S193-T195 VanDerWaalsContact C-N 3.35Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.43Å; S193-L196 VanDerWaalsContact O-N 3.16Å
194S46.5Very low43.1Very low70 Ų7063 Ų6349%0.4936%0.362SS..Hα-helixtrans-73.1-27.8177.778.70000112.2A190 A191 W192 L196 S197A190-S194 PolarHBondContact O-N 3.06Å; A191-S194 WeakPolarHBondContact O-CB 3.49Å; A191-S194 PolarHBondContact O-N 3.3Å; A191-S194 VanDerWaalsContact O-N 3.08Å; A191-S194 PolarHBondContact O-OG 3.47Å; W192-S194 PolarHBondContact O-N 3.3Å; S194-L196 VanDerWaalsContact C-N 3.29Å; S194-S197 VanDerWaalsContact O-CB 3.3Å; S194-S197 WeakPolarHBondContact O-CB 3.33Å; S194-S197 PolarHBondContact O-N 2.88Å; S194-S197 PolarHBondContact O-OG 3.05Å
195T47.7Very low43.1Very low77 Ų7761.4 Ų61.447%0.47236%0.36SS..Hα-helixtrans-73.9-22.1169.762.60000112.8A172 A191 W192 S193 S197A172-T195 HydrophobicContact CB-CG2 3.95Å; A191-T195 PolarHBondContact O-N 2.89Å; W192-T195 WeakPolarHBondContact CA-OG1 3.25Å; W192-T195 PolarHBondContact O-N 2.74Å; W192-T195 PolarHBondContact O-OG1 2.94Å; S193-T195 VanDerWaalsContact C-N 3.35Å; T195-S197 PolarHBondContact O-N 3.33Å
196L42.7Very low43.4Very low47 Ų4762.2 Ų62.225%0.24637%0.367CS..G310 helixtrans-78.56.3171.3-93.981.1000113.4W192 S193 S194 N198 A199 I204 F207W192-L196 VanDerWaalsContact O-CD1 3.25Å; W192-L196 WeakPolarHBondContact O-CD1 3.3Å; W192-L196 PolarHBondContact O-N 2.95Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.43Å; S193-L196 VanDerWaalsContact O-N 3.16Å; S194-L196 VanDerWaalsContact C-N 3.29Å; L196-N198 PolarHBondContact O-N 2.65Å; L196-A199 HydrophobicContact CB-CB 4.3Å; L196-A199 HydrophobicContact CD2-CB 4.43Å; L196-A199 HydrophobicContact CG-CB 4.31Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 2.58Å; L196-I204 WeakPolarHBondContact O-CD1 3.09Å; L196-I204 WeakPolarHBondContact O-CG1 3.33Å; L196-F207 HydrophobicContact CD2-CB 4.39Å; L196-F207 HydrophobicContact CD2-CD2 4.28Å; L196-F207 HydrophobicContact CD2-CG 4.32Å
197S41.4Very low43.8Very low77 Ų7759.1 Ų59.154%0.53836%0.355SS..G310 helixtrans-57.5-17.8179.5-61.30000114.5S194 T195S194-S197 VanDerWaalsContact O-CB 3.3Å; S194-S197 WeakPolarHBondContact O-CB 3.33Å; S194-S197 PolarHBondContact O-N 2.88Å; S194-S197 PolarHBondContact O-OG 3.05Å; T195-S197 PolarHBondContact O-N 3.33Å
198N42.2Very low44.3Very low151 Ų15159.8 Ų59.881%0.80736%0.358SS*.G310 helixtrans-101.12.5176.1-64.5-19.5000113.4L196L196-N198 PolarHBondContact O-N 2.65Å
199A40.7Very low44.7Very low27 Ų2759.8 Ų59.822%0.22337%0.365CS..SBendtrans-78.4156.1170.400000110L196 A203 I204L196-A199 HydrophobicContact CB-CB 4.3Å; L196-A199 HydrophobicContact CD2-CB 4.43Å; L196-A199 HydrophobicContact CG-CB 4.31Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 2.58Å; A199-A203 HydrophobicContact CB-CB 3.79Å; A199-I204 HydrophobicContact CB-CG1 4.4Å; A199-I204 WeakPolarHBondContact O-CD1 3.4Å
200S39.7Very low44.7Very low43 Ų4360.6 Ų60.630%0.30137%0.374SS..  trans-54149.4-179.681.30000110.9C202 A203 I204S200-C202 PolarHBondContact O-N 3.09Å; S200-C202 PolarHBondContact OG-N 3.23Å; S200-A203 WeakPolarHBondContact O-CA 3.37Å; S200-A203 WeakPolarHBondContact O-CB 3.18Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 PolarHBondContact OG-N 2.97Å; S200-I204 PolarHBondContact O-N 3.28Å; S200-I204 VanDerWaalsContact O-N 3.08Å
201P41.3Very low45Very low92 Ų9259.7 Ų59.760%0.59736%0.364SS*.Hα-helixtrans-50.2-29.8175.4-27.634000113.1A205P201-A205 WeakPolarHBondContact O-CB 3.27Å; P201-A205 PolarHBondContact O-N 3.2Å
202C35.5Very low45.1Very low61 Ų6160.2 Ų60.241%0.41237%0.368SS..Hα-helixtrans-69.1-39.3174.8-173.20000113.1S200 A206S200-C202 PolarHBondContact O-N 3.09Å; S200-C202 PolarHBondContact OG-N 3.23Å; C202-A206 VanDerWaalsContact O-CB 3.27Å; C202-A206 WeakPolarHBondContact O-CB 3.08Å; C202-A206 PolarHBondContact O-N 3.06Å
203A39.6Very low44.9Very low19 Ų1959.1 Ų59.116%0.15737%0.367CS..Hα-helixtrans-70.3-41.2175.900000112A199 S200 A206 F207A199-A203 HydrophobicContact CB-CB 3.79Å; S200-A203 WeakPolarHBondContact O-CA 3.37Å; S200-A203 WeakPolarHBondContact O-CB 3.18Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 PolarHBondContact OG-N 2.97Å; A203-A206 PolarHBondContact O-N 2.8Å; A203-F207 WeakPolarHBondContact O-CB 3.48Å; A203-F207 PolarHBondContact O-N 2.89Å
204I46.6Very low44.7Very low42 Ų4259 Ų5922%0.21536%0.364CS..Hα-helixtrans-63-45.3173.8-62.6172.1000109.9L196 A199 S200 A206 F207 Q208L196-I204 WeakPolarHBondContact O-CD1 3.09Å; L196-I204 WeakPolarHBondContact O-CG1 3.33Å; A199-I204 HydrophobicContact CB-CG1 4.4Å; A199-I204 WeakPolarHBondContact O-CD1 3.4Å; S200-I204 PolarHBondContact O-N 3.28Å; S200-I204 VanDerWaalsContact O-N 3.08Å; I204-A206 PolarHBondContact O-N 3.29Å; I204-F207 PolarHBondContact O-N 3.43Å; I204-Q208 HydrophobicContact CG2-CG 4.28Å; I204-Q208 VanDerWaalsContact O-CB 3.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.44Å; I204-Q208 VanDerWaalsContact O-CG 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.06Å
205A43.4Very low44.7Very low50 Ų5058.5 Ų58.541%0.41336%0.357SS..Hα-helixtrans-64.1-39.8176.800000112.4P201 N209P201-A205 WeakPolarHBondContact O-CB 3.27Å; P201-A205 PolarHBondContact O-N 3.2Å; A205-N209 WeakPolarHBondContact O-CB 3.1Å; A205-N209 PolarHBondContact O-N 2.82Å
206A41.9Very low44.5Very low33 Ų3362.3 Ų62.327%0.27337%0.374SS..Hα-helixtrans-65.2-43.1175.800000111.6C202 A203 I204 N209 A210C202-A206 VanDerWaalsContact O-CB 3.27Å; C202-A206 WeakPolarHBondContact O-CB 3.08Å; C202-A206 PolarHBondContact O-N 3.06Å; A203-A206 PolarHBondContact O-N 2.8Å; I204-A206 PolarHBondContact O-N 3.29Å; A206-N209 PolarHBondContact O-N 3.38Å; A206-A210 WeakPolarHBondContact O-CB 3.27Å; A206-A210 PolarHBondContact O-N 3.17Å
207F47.6Very low44.2Very low44 Ų4463.5 Ų63.519%0.19338%0.379CS..Hα-helixtrans-66-45.9177.2-168.8-93.1000111.7L189 L196 A203 I204 N209 A210 L211L189-F207 HydrophobicContact CD2-CZ 3.99Å; L196-F207 HydrophobicContact CD2-CB 4.39Å; L196-F207 HydrophobicContact CD2-CD2 4.28Å; L196-F207 HydrophobicContact CD2-CG 4.32Å; A203-F207 WeakPolarHBondContact O-CB 3.48Å; A203-F207 PolarHBondContact O-N 2.89Å; I204-F207 PolarHBondContact O-N 3.43Å; F207-N209 VanDerWaalsContact C-N 3.35Å; F207-N209 PolarHBondContact O-N 3.21Å; F207-A210 PolarHBondContact O-N 3.01Å; F207-L211 HydrophobicContact CD1-CD1 3.71Å; F207-L211 HydrophobicContact CE1-CD1 3.21Å; F207-L211 HydrophobicContact CZ-CD1 3.94Å; F207-L211 WeakPolarHBondContact O-CB 3.04Å; F207-L211 PolarHBondContact O-N 3.25Å
208Q56.8Low43.8Very low116 Ų11662.5 Ų62.554%0.54238%0.381SS..Hα-helixtrans-63.6-38175.2-74.8177.7-4.200112.2I204 L211 A212I204-Q208 HydrophobicContact CG2-CG 4.28Å; I204-Q208 VanDerWaalsContact O-CB 3.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.44Å; I204-Q208 VanDerWaalsContact O-CG 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.06Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.08Å; Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å
209N50Low43.4Very low90 Ų9058.6 Ų58.648%0.48136%0.36SS..Hα-helixtrans-70.2-36.6176.7-165.2-0.5000111.4A205 A206 F207 A212 Q213A205-N209 WeakPolarHBondContact O-CB 3.1Å; A205-N209 PolarHBondContact O-N 2.82Å; A206-N209 PolarHBondContact O-N 3.38Å; F207-N209 VanDerWaalsContact C-N 3.35Å; F207-N209 PolarHBondContact O-N 3.21Å; N209-A212 PolarHBondContact O-N 3.18Å; N209-Q213 WeakPolarHBondContact O-CB 3.21Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.31Å; N209-Q213 PolarHBondContact O-N 2.72Å; N209-Q213 PolarHBondContact OD1-NE2 2.99Å
210A44.8Very low43Very low33 Ų3360.1 Ų60.127%0.27337%0.369SS..Hα-helixtrans-63.2-42.4170.600000111.5A206 F207 Q213 L214A206-A210 WeakPolarHBondContact O-CB 3.27Å; A206-A210 PolarHBondContact O-N 3.17Å; F207-A210 PolarHBondContact O-N 3.01Å; A210-Q213 PolarHBondContact O-N 2.79Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CD1 3.16Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.94Å
211L52.6Low42.5Very low18 Ų1862.1 Ų62.19%0.09438%0.383CS..Hα-helixtrans-64.2-39.5174.2-120.2130.8000112.7Y186 L189 F207 Q208 L214 T215Y186-L211 HydrophobicContact CD2-CD2 4.14Å; Y186-L211 HydrophobicContact CE1-CD2 4.15Å; Y186-L211 HydrophobicContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CE2-CD2 3.44Å; Y186-L211 VanDerWaalsContact CZ-CD2 3.44Å; Y186-L211 WeakPolarHBondContact OH-CD2 3.48Å; L189-L211 HydrophobicContact CB-CD1 4.43Å; F207-L211 HydrophobicContact CD1-CD1 3.71Å; F207-L211 HydrophobicContact CE1-CD1 3.21Å; F207-L211 HydrophobicContact CZ-CD1 3.94Å; F207-L211 WeakPolarHBondContact O-CB 3.04Å; F207-L211 PolarHBondContact O-N 3.25Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.08Å; L211-L214 WeakPolarHBondContact O-CB 3.48Å; L211-L214 PolarHBondContact O-N 3.07Å; L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 PolarHBondContact O-OG1 3.1Å
212A50.5Low41.7Very low53 Ų5364.3 Ų64.344%0.43839%0.389SS..Hα-helixtrans-67.6-39.517600000111.4Q208 N209 T215 L216Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å; N209-A212 PolarHBondContact O-N 3.18Å; A212-T215 PolarHBondContact O-N 3.11Å; A212-L216 VanDerWaalsContact O-CB 3.28Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 PolarHBondContact O-N 2.87Å
213Q45.1Very low41.3Very low66 Ų6666.2 Ų66.231%0.30840%0.403SS..Hα-helixtrans-68.5-38.9175.1-73.1173.748.300111.9L107 N209 A210 T215 L216 M217L107-Q213 HydrophobicContact CD2-CB 4.02Å; N209-Q213 WeakPolarHBondContact O-CB 3.21Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.31Å; N209-Q213 PolarHBondContact O-N 2.72Å; N209-Q213 PolarHBondContact OD1-NE2 2.99Å; A210-Q213 PolarHBondContact O-N 2.79Å; Q213-T215 VanDerWaalsContact C-N 3.3Å; Q213-T215 PolarHBondContact O-N 3.35Å; Q213-L216 PolarHBondContact O-N 2.92Å; Q213-M217 WeakPolarHBondContact O-CB 3.36Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.17Å; Q213-M217 PolarHBondContact O-N 2.81Å
214L42.7Very low40.5Very low31 Ų3170.9 Ų70.916%0.16243%0.429CS..Hα-helixtrans-56.1-44.3169.4-88.5160000112.2L114 A210 L211L114-L214 HydrophobicContact CD1-CD1 4.23Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CD1 3.16Å; A210-L214 WeakPolarHBondContact O-CG 3.39Å; A210-L214 PolarHBondContact O-N 2.94Å; L211-L214 WeakPolarHBondContact O-CB 3.48Å; L211-L214 PolarHBondContact O-N 3.07Å
215T45.2Very low39.6Very low58 Ų5872.7 Ų72.736%0.35645%0.45SS..Hα-helixtrans-68.7-42.5177.4-53.40000111.3L211 A212 Q213 M217 G218L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 PolarHBondContact O-OG1 3.1Å; A212-T215 PolarHBondContact O-N 3.11Å; Q213-T215 VanDerWaalsContact C-N 3.3Å; Q213-T215 PolarHBondContact O-N 3.35Å; T215-M217 PolarHBondContact O-N 2.89Å; T215-G218 PolarHBondContact O-N 3.08Å
216L43.4Very low38.5Very low158 Ų15876.3 Ų76.383%0.82747%0.467SS*.Hα-helixtrans-69.8-30.2-178.7-165.872.4000113A212 Q213 G218A212-L216 VanDerWaalsContact O-CB 3.28Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 PolarHBondContact O-N 2.87Å; Q213-L216 PolarHBondContact O-N 2.92Å; L216-G218 PolarHBondContact O-N 3.49Å
217M37.4Very low37.8Very low72 Ų7280.6 Ų80.636%0.35549%0.49SS..THydrogen-bonded Turntrans-73.43.6175.4-74.3173.157.800113.6L107 Q108 Q213 T215 L219L107-M217 HydrophobicContact CD2-SD 4.19Å; Q108-M217 HydrophobicContact CB-CE 4.02Å; Q108-M217 HydrophobicContact CG-CE 3.59Å; Q213-M217 WeakPolarHBondContact O-CB 3.36Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.17Å; Q213-M217 PolarHBondContact O-N 2.81Å; T215-M217 PolarHBondContact O-N 2.89Å; M217-L219 HydrophobicContact CB-CD1 4.2Å; M217-L219 HydrophobicContact CB-CG 4.13Å; M217-L219 HydrophobicContact CE-CD1 3.71Å; M217-L219 PolarHBondContact O-N 3.45Å; M217-L219 VanDerWaalsContact O-N 3.14Å
218G32.8Very low36.7Very low55 Ų5584.5 Ų84.557%0.56752%0.518SS*.THydrogen-bonded Turntrans66.712.5-179.700000113.5T215 L216T215-G218 PolarHBondContact O-N 3.08Å; L216-G218 PolarHBondContact O-N 3.49Å
219L34.3Very low35Very low69 Ų6984.8 Ų84.836%0.36153%0.533SS..  trans-85.51.9177.6-62.9177.5000112.1S111 M217 S221S111-L219 WeakPolarHBondContact OG-CD1 3.37Å; M217-L219 HydrophobicContact CB-CD1 4.2Å; M217-L219 HydrophobicContact CB-CG 4.13Å; M217-L219 HydrophobicContact CE-CD1 3.71Å; M217-L219 PolarHBondContact O-N 3.45Å; M217-L219 VanDerWaalsContact O-N 3.14Å; L219-S221 PolarHBondContact O-N 2.77Å; L219-S221 VanDerWaalsContact O-N 3.1Å
220S31.2Very low33.8Very low60 Ų6086.3 Ų86.342%0.4255%0.546SS..SBendtrans-63107.5155.362.20000107.1L222S220-L222 PolarHBondContact O-N 2.97Å
221S29.6Very low32.9Very low84 Ų8491 Ų9159%0.58757%0.571SS**  trans-48.8107.5179.951.20000110.1L219 S223L219-S221 PolarHBondContact O-N 2.77Å; L219-S221 VanDerWaalsContact O-N 3.1Å; S221-S223 PolarHBondContact O-N 3.46Å
222L24.9Very low31.6Very low139 Ų13995.9 Ų95.973%0.72860%0.602SS**  trans-65.375.7166.2-172.774.3000107.3M1 S220 T224M1-L222 HydrophobicContact CE-CD2 4.48Å; S220-L222 PolarHBondContact O-N 2.97Å; L222-T224 PolarHBondContact O-N 3.03Å; L222-T224 VanDerWaalsContact O-N 3.11Å
223S27.6Very low30.3Very low101 Ų10199.2 Ų99.271%0.70662%0.617SS**  trans-77.297.6165.8-1690000107.2S221 A225S221-S223 PolarHBondContact O-N 3.46Å; S223-A225 PolarHBondContact O-N 3.43Å
224T23.1Very low29.4Very low117 Ų117100.8 Ų100.872%0.71864%0.635SS**  trans-71.583.9169.1-45.20000106.7L222L222-T224 PolarHBondContact O-N 3.03Å; L222-T224 VanDerWaalsContact O-N 3.11Å
225A25.9Very low28.8Very low79 Ų79105.4 Ų105.465%0.65366%0.664SS**  trans-113.884.317100000108.9S223 T227S223-A225 PolarHBondContact O-N 3.43Å; A225-T227 PolarHBondContact O-N 2.85Å
226T21.8Very low27.9Very low126 Ų126109.2 Ų109.277%0.77368%0.682SS**  trans-50.8113.8149.914.10000108.3
227T25.6Very low27.1Very low123 Ų123107.5 Ų107.576%0.75568%0.679SS**  trans168.6120.2133.236.20000112A225A225-T227 PolarHBondContact O-N 2.85Å
228T24.5Very low26.6Very low126 Ų126109.9 Ų109.977%0.77370%0.697SS**  trans48.9111.7144.739.70000120.1T230T228-T230 PolarHBondContact O-N 2.82Å
229S22Very low26.3Very low123 Ų123114 Ų11486%0.8671%0.706SS**  trans-47.8110.7158.9-52.60000112.9
230T25.7Very low26Very low121 Ų121115.2 Ų115.274%0.74272%0.72SS**  trans-133.5101.1153.438.10000108.4T228 V232T228-T230 PolarHBondContact O-N 2.82Å; T230-V232 PolarHBondContact O-N 3.35Å
231T24.7Very low25.7Very low132 Ų132116.8 Ų116.881%0.8173%0.731SS**  trans-63.3114.9169.5-28.30000108.4
232V25.8Very low25.6Very low121 Ų121119.3 Ų119.373%0.73374%0.738SS**  trans-116.3100.1168.7-148.90000107.8T230T230-V232 PolarHBondContact O-N 3.35Å
233T23.9Very low25.8Very low123 Ų123119.8 Ų119.876%0.75574%0.741SS**  trans-83.5118.1170.6-41.40000107
234S26.5Very low25.8Very low98 Ų98121.7 Ų121.769%0.68574%0.742SS**  trans-127.392.2175.7-48.10000109.9
235T28.2Very low26Very low128 Ų128122.1 Ų122.179%0.78574%0.744SS**  trans-88.3114.4156.748.60000107.8T237T235-T237 PolarHBondContact O-N 2.89Å
236N26.8Very low26.1Very low138 Ų138124.6 Ų124.674%0.73875%0.747SS**  trans-53.4129.4158.9-62.2-39.5000107.1
237T26.4Very low26.5Very low122 Ų122126.6 Ų126.675%0.74875%0.745SS**  -174.513871.539.30000111T235T235-T237 PolarHBondContact O-N 2.89Å
238V27.5Very low26.7Very low123 Ų123129.3 Ų129.375%0.74575%0.753SS**  trans67.397.1145.2-171.50000116.6
239D26.3Very low26.8Very low142 Ų142127.1 Ų127.176%0.75974%0.742SS**  -178.4135.4110.4-100.5-33.6000112.3
240S27.6Very low27.1Very low93 Ų93129 Ų12965%0.6574%0.737SS**  trans63.292.9141.2-50.80000119
241S26.3Very low27.5Very low93 Ų93131 Ų13165%0.6574%0.743SS**  47.5124.9119.348.40000119.5
242N27.6Very low27.7Very low137 Ų137130.9 Ų130.973%0.73374%0.737SS**  trans98.6126.7144-57.4-36.5000117.9
243L27.5Very low27.8Very low150 Ų150133.8 Ų133.879%0.78574%0.743SS**  trans72.4127.8143-64.2152.2000114.3
244L28.2Very low28Very low140 Ų140132.9 Ų132.973%0.73374%0.741SS**  cis-167.4134.118.9-143.4147.4000106.7
245V27.8Very low28.2Very low126 Ų126134.4 Ų134.476%0.76475%0.746SS**  trans-57135.2167.7169.40000110.1
246D28.6Very low28.1Very low131 Ų131135.1 Ų135.170%0.70175%0.745SS**  trans-153.3113.9145-110.2-26.5000113.3
247K28.2Very low28.3Very low169 Ų169134 Ų13474%0.73575%0.748SS**  trans55.599.3144-68.3171.7-179.6-179.60119.5
248I30.7Very low28.3Very low180 Ų180133.8 Ų133.892%0.92375%0.747SS**  -137.5107.7115.1-56.6-174.7000108.3
249S26.8Very low28.4Very low79 Ų79135.3 Ų135.355%0.55275%0.75SS**  trans-80.4155.4178.645.90000112.9
250H28.8Very low28.4Very low162 Ų162135.5 Ų135.575%0.7575%0.751SS**  trans85.499.5160.4-56.7-69.2000117.7
251L33.4Very low28.2Very low165 Ų165138.7 Ų138.786%0.86476%0.759SS**  -178.794.3113.7-89.5154.7000110.6
252N28.8Very low28.1Very low129 Ų129138.8 Ų138.869%0.6976%0.76SS**  trans35.6112.2146.5-641.1000120.2
253E28.4Very low28.1Very low182 Ų182138.5 Ų138.585%0.8576%0.759SS**  68.8133.889.7-87.3-176.3156.100113.3
254S27.5Very low28.1Very low104 Ų104137.1 Ų137.173%0.72775%0.752SS**  cis-16616316.651.10000106
255V31.2Very low28.1Very low129 Ų129138.9 Ų138.978%0.78276%0.756SS**  -166.3143.358.7-179.20000110
256N26Very low28.2Very low144 Ų144138.6 Ų138.677%0.7776%0.755SS**  trans-57.1157.9-179.3-60.3-55.1000118.2
257S30.2Very low28.3Very low115 Ų115138.9 Ų138.980%0.80476%0.757SS**  169151.3107.459.10000110.6
258V26.3Very low28.4Very low117 Ų117138.7 Ų138.771%0.70976%0.763SS**  cis-177.3156-10.31390000104.9
259L29.8Very low28.5Very low155 Ų155137.7 Ų137.781%0.81276%0.755SS**  trans91.4141.2166.1-51.5173.4000118.8
260N26Very low28.5Very low146 Ų146142.2 Ų142.278%0.78176%0.761SS**  cis-169.7146.6-34.4-147.6-4000105
261L24.2Very low28.6Very low159 Ų159139.3 Ų139.383%0.83276%0.757SS**  trans-67.6150.5-177.8-64.4139000112.8
262S24.9Very low28.4Very low95 Ų95139.1 Ų139.166%0.66475%0.749SS**  153.9137.1109.487.40000113
263N27Very low28.6Very low132 Ų132139.3 Ų139.371%0.70675%0.75SS**  trans66.4152138.4-64.223.3000118.1
264D27.9Very low28.9Very low120 Ų120138.1 Ų138.164%0.64275%0.745SS**  cis-170146.6-9.1-100.3-32.7000104.3
265E27Very low29.1Very low177 Ų177139.5 Ų139.583%0.82774%0.744SS**  trans51.1157.2145-65.1-172.2142.700124.1
266V29.7Very low29.2Very low121 Ų121139.7 Ų139.773%0.73375%0.749SS**  trans98.885.9155.8-160.90000117.1
267N30.5Very low29.4Very low137 Ų137139.6 Ų139.673%0.73375%0.749SS**  177.9109.5113.2-103.3-30.3000112.5
268N30.8Very low29.4Very low164 Ų164141.9 Ų141.988%0.87775%0.751SS**  178.9103.4113.9-89.5-26.5000110.9
269H33Very low29.6Very low160 Ų160141.6 Ų141.674%0.74175%0.751SS**  trans-87.9136.2173.3-120-21.9000110.6
270Y26.8Very low29.4Very low174 Ų174142.1 Ų142.168%0.68275%0.754SS**  trans65.4145145.1-78.5-63000118.6
271C30.3Very low29.2Very low100 Ų100140 Ų14068%0.67675%0.75SS**  cis-164.6131.323.7-115.80000106.8
272K30.2Very low29.3Very low161 Ų161138 Ų13870%0.775%0.745SS**  80.7139.489.2-95.9-174.9-179.8177.50117.2
273N33.3Very low29.5Very low133 Ų133138.6 Ų138.671%0.71175%0.749SS**  trans93.1137.2158.8-58.4-13.4000116.8
274H33.6Very low29.4Very low158 Ų158140 Ų14073%0.73176%0.757SS**  cis-178.4154.9-23.5-115.1-54.5000104.3
275N32.2Very low29.2Very low133 Ų133139.6 Ų139.671%0.71176%0.763SS**  trans80.1103164.1-57.6-1.9000117.8
276C34.4Very low29.3Very low132 Ų132136.8 Ų136.889%0.89276%0.758SS**  -171120.796.2-87.70000109.2
277D30.1Very low29.1Very low143 Ų143137 Ų13777%0.76576%0.759SS**  trans-72.2170.4-176-66-64.6000114.7
278I29.5Very low29.1Very low163 Ų163136.6 Ų136.684%0.83676%0.756SS**  trans106.6139144.4-73146.9000118
279P29.5Very low28.9Very low110 Ų110136 Ų13671%0.71475%0.753SS**  -128.9179.1-12345.5-33.1000115.7
280L25.6Very low28.8Very low167 Ų167135.4 Ų135.487%0.87475%0.75SS**  trans21136.7147.1-127.873.5000121.8
281S23.3Very low28.7Very low100 Ų100132.1 Ų132.170%0.69976%0.759SS**  trans77.2129161.2-170.10000114.6
282T26.4Very low28.7Very low118 Ų118131.2 Ų131.272%0.72475%0.751SS**  -178.2152.169.7-410000109.9
283S27.7Very low28.5Very low108 Ų108132.5 Ų132.576%0.75576%0.761SS**  trans96.6108.6146.4-56.10000120.6
284N24.5Very low28.4Very low162 Ų162135.4 Ų135.487%0.86676%0.764SS**  trans-66.5166.6157.2-67-35.4000112.6
285S24Very low28.4Very low111 Ų111136.9 Ų136.978%0.77677%0.768SS**  trans80.2122.4168.4-147.60000112.8
286T28.8Very low28.3Very low118 Ų118140.7 Ų140.772%0.72478%0.778SS**  -161.2150.459.1240000111.6I288T286-I288 PolarHBondContact O-N 3.5Å
287V27.1Very low28.4Very low125 Ų125139.8 Ų139.876%0.75877%0.774SS**  trans-33.1120.6160178.70000112.5
288I30Very low28.6Very low128 Ų128140.9 Ų140.966%0.65677%0.774SS**  trans-12993.8157.3-62.8-178.8000107.9T286 Q290T286-I288 PolarHBondContact O-N 3.5Å; I288-Q290 HydrophobicContact CG2-CB 4.12Å; I288-Q290 HydrophobicContact CG2-CG 3.58Å; I288-Q290 PolarHBondContact O-N 3.36Å; I288-Q290 VanDerWaalsContact O-N 3.13Å
289N26.7Very low28.9Very low153 Ų153140.9 Ų140.982%0.81878%0.776SS**  trans-54.2104.9148.9-79.4-33.7000107.8
290Q29.9Very low29.2Very low146 Ų146138.9 Ų138.968%0.68278%0.775SS**  trans-126.188.8158.1-87.5-178.730.900108.4I288 T292I288-Q290 HydrophobicContact CG2-CB 4.12Å; I288-Q290 HydrophobicContact CG2-CG 3.58Å; I288-Q290 PolarHBondContact O-N 3.36Å; I288-Q290 VanDerWaalsContact O-N 3.13Å; Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 2.86Å
291A25.6Very low29.7Very low105 Ų105136.7 Ų136.787%0.86877%0.774SS**  trans-47.2100.9152.200000108.3
292T29.9Very low30.7Very low82 Ų82141.3 Ų141.350%0.50378%0.781SS.*  trans-105.899.116831.80000107.8Q290 Y294Q290-T292 VanDerWaalsContact C-N 3.32Å; Q290-T292 PolarHBondContact O-N 2.86Å; T292-Y294 HydrophobicContact CG2-CD2 4.35Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å; T292-Y294 PolarHBondContact O-N 2.92Å
293M26.9Very low31.5Very low188 Ų188141.9 Ų141.993%0.92678%0.779SS**  trans-55.798.7162-75.3-159.1-72.500109
294Y30.6Very low32.6Very low193 Ų193143.7 Ų143.776%0.75778%0.779SS**  trans-110.9100.1170.7-77.7-64.7000110.7T292T292-Y294 HydrophobicContact CG2-CD2 4.35Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å; T292-Y294 PolarHBondContact O-N 2.92Å
295K33.6Very low33.9Very low189 Ų189142 Ų14282%0.82277%0.768SS**  trans25.8114.4148.7-74.4-177.1173.6-179.80117.4S297K295-S297 PolarHBondContact O-N 3.08Å
296K30.6Very low35.1Very low214 Ų214147 Ų14793%0.9377%0.77SS**  trans-42.4108.6149.7-74.9178.7173.5-176.70109.9
297S37Very low36.3Very low113 Ų113150.4 Ų150.479%0.7978%0.778SS**  trans-120.2111.9155.264.60000107.4K295K295-S297 PolarHBondContact O-N 3.08Å
298E32.5Very low37.3Very low166 Ų166149.6 Ų149.678%0.77677%0.773SS**  trans-40.8158.7167.3-130.395.2-177.100113.1
299D35.8Very low38.3Very low162 Ų162147.8 Ų147.887%0.86678%0.777SS**  trans83.285.1162.3-62.2-23.9000119.3
300G35.7Very low39.9Very low69 Ų69144.2 Ų144.271%0.71176%0.758SS**  trans147.962.4153.600000115.2K302G300-K302 PolarHBondContact O-N 3.27Å
301S36.8Very low41.5Very low121 Ų121140.3 Ų140.385%0.84675%0.751SS**  trans-63.596.7175.9-780000111.8I303S301-I303 PolarHBondContact O-N 2.82Å
302K44.5Very low43.6Very low196 Ų196140.6 Ų140.685%0.85274%0.738SS**  trans-74.5105.6163.6-70.5-177.5179.7-176.70108.5G300 I304G300-K302 PolarHBondContact O-N 3.27Å; K302-I304 PolarHBondContact O-N 3.35Å
303I42.9Very low45.6Very low130 Ų130142.1 Ų142.167%0.66774%0.739SS**  trans-78.1109.6171.9-58173.6000107.7S301 I305S301-I303 PolarHBondContact O-N 2.82Å; I303-I305 HydrophobicContact CG2-CG1 3.79Å; I303-I305 PolarHBondContact O-N 2.82Å
304I52.2Low47.8Very low147 Ų147138.7 Ų138.775%0.75472%0.721SS**  trans-85.4103.2166.5-58172.2000106.5K302 R306K302-I304 PolarHBondContact O-N 3.35Å; I304-R306 PolarHBondContact O-N 2.96Å
305I50.9Low50Low125 Ų125135.5 Ų135.564%0.64171%0.711SS**  trans-81.5106.1170.1-57.1178.5000107I303 Q307I303-I305 HydrophobicContact CG2-CG1 3.79Å; I303-I305 PolarHBondContact O-N 2.82Å; I305-Q307 PolarHBondContact O-N 3.31Å
306R49.6Very low51.9Low218 Ų218131.9 Ų131.982%0.82370%0.695SS**  trans-71.7113.7162.4-64179.2-179.7-124.30.5106.1I304 T308I304-R306 PolarHBondContact O-N 2.96Å; R306-T308 PolarHBondContact O-N 3.38Å
307Q54.1Low54Low189 Ų189128.1 Ų128.188%0.88368%0.679SS**  trans-55.7112166-97.7174.8-37.300106.9I305 A309I305-Q307 PolarHBondContact O-N 3.31Å; Q307-A309 PolarHBondContact O-N 2.94Å; Q307-A309 VanDerWaalsContact O-N 3.14Å
308T47.4Very low55.8Low108 Ų108125.7 Ų125.766%0.66367%0.666SS**  trans-63.1112.4172.643.20000107R306 D310 A311R306-T308 PolarHBondContact O-N 3.38Å; T308-D310 PolarHBondContact O-N 3.15Å; T308-A311 PolarHBondContact O-N 3Å
309A52Low58Low89 Ų89122.1 Ų122.174%0.73665%0.652SS**THydrogen-bonded Turntrans-57.42.2176.400000114.5Q307Q307-A309 PolarHBondContact O-N 2.94Å; Q307-A309 VanDerWaalsContact O-N 3.14Å
310D59.6Low59.8Low79 Ų79124 Ų12442%0.42265%0.646SS.*Hα-helixtrans-85.3-18-176-144.8-8.7000113.2T308 D312 E313 H314T308-D310 PolarHBondContact O-N 3.15Å; D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.3Å; D310-E313 PolarHBondContact O-N 3.23Å; D310-H314 WeakPolarHBondContact O-CB 3.39Å; D310-H314 PolarHBondContact O-CD2 3.03Å; D310-H314 PolarHBondContact O-N 3.23Å; D310-H314 IonicContact OD1-CD2 3.48Å; D310-H314 PolarHBondContact OD1-CD2 3.23Å; D310-H314 IonicContact OD1-NE2 3.78Å; D310-H314 IonicContact OD2-NE2 3.95Å
311A63Low61.1Low64 Ų64123.7 Ų123.753%0.52964%0.643SS.*Hα-helixtrans-64.2-38.2-178.900000112.1T308 F315T308-A311 PolarHBondContact O-N 3Å; A311-F315 WeakPolarHBondContact O-CB 3.01Å; A311-F315 PolarHBondContact O-N 3.34Å
312D69.8Low62.4Low111 Ų111123.8 Ų123.859%0.59463%0.634SS**Hα-helixtrans-70.8-40.7177.1-66.2-24.5000110.8D310 H314 F315 F316D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.3Å; D312-H314 PolarHBondContact O-N 3.38Å; D312-F315 PolarHBondContact O-N 3Å; D312-F316 HydrophobicContact CB-CD2 4.43Å; D312-F316 HydrophobicContact CB-CE2 4.29Å; D312-F316 WeakPolarHBondContact O-CD2 3.36Å; D312-F316 PolarHBondContact O-N 3.48Å
313E73.2Confident63.1Low114 Ų114123 Ų12353%0.53363%0.63SS.*Hα-helixtrans-63.1-43.3176.1-172.2169.5174.700111.4D310 F315 F316 K317D310-E313 PolarHBondContact O-N 3.23Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.47Å; E313-F316 PolarHBondContact O-N 2.96Å; E313-K317 WeakPolarHBondContact O-CB 3.46Å; E313-K317 PolarHBondContact O-N 3.12Å
314H72.2Confident63.8Low116 Ų116121.7 Ų121.754%0.53763%0.628SS.*Hα-helixtrans-61.4-40173.9-84.8-71.1000112.7D310 D312 K317 A318D310-H314 WeakPolarHBondContact O-CB 3.39Å; D310-H314 PolarHBondContact O-CD2 3.03Å; D310-H314 PolarHBondContact O-N 3.23Å; D310-H314 IonicContact OD1-CD2 3.48Å; D310-H314 PolarHBondContact OD1-CD2 3.23Å; D310-H314 IonicContact OD1-NE2 3.78Å; D310-H314 IonicContact OD2-NE2 3.95Å; D312-H314 PolarHBondContact O-N 3.38Å; H314-K317 PolarHBondContact O-N 3.17Å; H314-A318 WeakPolarHBondContact O-CB 3.43Å; H314-A318 PolarHBondContact O-N 3.27Å
315F76.8Confident63.4Low126 Ų126120.6 Ų120.655%0.55362%0.624SS**Hα-helixtrans-65.8-46.1175.9-177.2-104.1000112.1A311 D312 E313 K317 A318 L319A311-F315 WeakPolarHBondContact O-CB 3.01Å; A311-F315 PolarHBondContact O-N 3.34Å; D312-F315 PolarHBondContact O-N 3Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.47Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.18Å; F315-A318 PolarHBondContact O-N 2.82Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE1-CG 4.27Å; F315-L319 HydrophobicContact CZ-CD1 3.81Å; F315-L319 HydrophobicContact CZ-CG 4.35Å; F315-L319 PolarHBondContact O-N 3.01Å
316F72.8Confident62.9Low112 Ų112120.1 Ų120.149%0.49163%0.627SS.*Hα-helixtrans-68-31.4177.1-72.6-62.2000112.8D312 E313 L319 R320D312-F316 HydrophobicContact CB-CD2 4.43Å; D312-F316 HydrophobicContact CB-CE2 4.29Å; D312-F316 WeakPolarHBondContact O-CD2 3.36Å; D312-F316 PolarHBondContact O-N 3.48Å; E313-F316 PolarHBondContact O-N 2.96Å; F316-L319 HydrophobicContact CD1-CD1 4.46Å; F316-L319 PolarHBondContact O-N 2.82Å; F316-R320 WeakPolarHBondContact O-CB 3.46Å; F316-R320 WeakPolarHBondContact O-CG 3.45Å; F316-R320 PolarHBondContact O-N 3.21Å
317K75.4Confident62.4Low135 Ų135114.3 Ų114.359%0.58762%0.619SS**Hα-helixtrans-69.6-37.6174.5-157.2170.3-171.9173.30111.3E313 H314 F315 R320 G321E313-K317 WeakPolarHBondContact O-CB 3.46Å; E313-K317 PolarHBondContact O-N 3.12Å; H314-K317 PolarHBondContact O-N 3.17Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.18Å; K317-R320 PolarHBondContact O-N 2.91Å; K317-G321 PolarHBondContact O-N 3.17Å; K317-G321 VanDerWaalsContact O-N 3.1Å
318A75.2Confident61.7Low63 Ų63110.6 Ų110.652%0.52161%0.609SS.*Hα-helixtrans-65.4-43172.300000112.2H314 F315 G321 L322H314-A318 WeakPolarHBondContact O-CB 3.43Å; H314-A318 PolarHBondContact O-N 3.27Å; F315-A318 PolarHBondContact O-N 2.82Å; A318-G321 PolarHBondContact O-N 3.27Å; A318-L322 PolarHBondContact O-N 3.33Å
319L77.8Confident61Low91 Ų91112.4 Ų112.448%0.47662%0.615SS.*Hα-helixtrans-64.5-39.5175.2-76.8173.5000112.6F315 F316 G321 L322F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE1-CG 4.27Å; F315-L319 HydrophobicContact CZ-CD1 3.81Å; F315-L319 HydrophobicContact CZ-CG 4.35Å; F315-L319 PolarHBondContact O-N 3.01Å; F316-L319 HydrophobicContact CD1-CD1 4.46Å; F316-L319 PolarHBondContact O-N 2.82Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.37Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.21Å
320R74Confident60.3Low201 Ų201115.7 Ų115.776%0.75862%0.619SS**Hα-helixtrans-67.7-25.7175.3-77.1-170.1-115149.1-3.1113.4F316 K317 L322F316-R320 WeakPolarHBondContact O-CB 3.46Å; F316-R320 WeakPolarHBondContact O-CG 3.45Å; F316-R320 PolarHBondContact O-N 3.21Å; K317-R320 PolarHBondContact O-N 2.91Å; R320-L322 VanDerWaalsContact C-N 3.33Å
321G64.2Low59.2Low62 Ų62120.9 Ų120.964%0.63964%0.638SS**Hα-helixtrans-78.5-14.4173.600000114K317 A318 L319 K323K317-G321 PolarHBondContact O-N 3.17Å; K317-G321 VanDerWaalsContact O-N 3.1Å; A318-G321 PolarHBondContact O-N 3.27Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.37Å; G321-K323 VanDerWaalsContact C-N 3.28Å; G321-K323 PolarHBondContact O-N 3.22Å
322L64.1Low57.8Low124 Ų124122.4 Ų122.465%0.64965%0.645SS**  trans-81.173-179-132.6108.6000110.5A318 L319 R320 V324A318-L322 PolarHBondContact O-N 3.33Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.21Å; R320-L322 VanDerWaalsContact C-N 3.33Å; L322-V324 HydrophobicContact CD2-CG2 4.14Å; L322-V324 PolarHBondContact O-N 3.12Å; L322-V324 VanDerWaalsContact O-N 3.09Å
323K58Low56.1Low178 Ų178122.6 Ų122.677%0.77465%0.652SS**  trans-75.196169.5-163.9170.3176.5-177.90108.1G321 D325G321-K323 VanDerWaalsContact C-N 3.28Å; G321-K323 PolarHBondContact O-N 3.22Å; K323-D325 PolarHBondContact O-N 3.09Å; K323-D325 VanDerWaalsContact O-N 3.12Å
324V57.2Low54.2Low104 Ų104124.1 Ų124.163%0.6366%0.664SS**  trans-72.5101.5170.8-178.80000107L322 V326L322-V324 HydrophobicContact CD2-CG2 4.14Å; L322-V324 PolarHBondContact O-N 3.12Å; L322-V324 VanDerWaalsContact O-N 3.09Å; V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 HydrophobicContact CG1-CG2 4.14Å; V324-V326 PolarHBondContact O-N 2.95Å
325D43.7Very low52.5Low124 Ų124126.4 Ų126.466%0.66368%0.679SS**  trans-65.795.1166.8-74-30.8000107.9K323 S327K323-D325 PolarHBondContact O-N 3.09Å; K323-D325 VanDerWaalsContact O-N 3.12Å; D325-S327 PolarHBondContact O-N 3.19Å
326V41.6Very low50.5Low115 Ų115128 Ų12870%0.69769%0.689SS**  trans-71.475.8166.7-174.30000107.1V324 T328V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 HydrophobicContact CG1-CG2 4.14Å; V324-V326 PolarHBondContact O-N 2.95Å; V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 HydrophobicContact CG1-CG2 4.21Å; V326-T328 PolarHBondContact O-N 3.31Å
327S37.6Very low48.6Very low96 Ų96132.9 Ų132.967%0.67171%0.71SS**  trans-71.994.6165.9-76.80000107.9D325 N329D325-S327 PolarHBondContact O-N 3.19Å; S327-N329 PolarHBondContact O-N 3.42Å
328T39.6Very low46.8Very low110 Ų110135 Ų13568%0.67572%0.722SS**  trans-62.279.2163.451.90000109.6V326 L330V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 HydrophobicContact CG1-CG2 4.21Å; V326-T328 PolarHBondContact O-N 3.31Å; T328-L330 PolarHBondContact O-N 3.24Å; T328-L330 VanDerWaalsContact O-N 3.17Å
329N33.3Very low44.9Very low147 Ų147137.1 Ų137.179%0.78673%0.732SS**  trans-83.954.7158.5-94.8-40.2000109.4S327 K331S327-N329 PolarHBondContact O-N 3.42Å; N329-K331 PolarHBondContact O-N 3.1Å; N329-K331 VanDerWaalsContact O-N 3.12Å
330L38.1Very low42.8Very low157 Ų157137.3 Ų137.382%0.82274%0.742SS**  trans-79.773.1155.8-75168.5000106.9T328T328-L330 PolarHBondContact O-N 3.24Å; T328-L330 VanDerWaalsContact O-N 3.17Å
331K35Very low41Very low189 Ų189135.7 Ų135.782%0.82275%0.746SS**  trans-98.487.4161.6-146.9155.5-171.6173.50106.7N329N329-K331 PolarHBondContact O-N 3.1Å; N329-K331 VanDerWaalsContact O-N 3.12Å
332S33.5Very low39.5Very low96 Ų96137.3 Ų137.367%0.67175%0.748SS**  trans-42.4139.7167.7-31.80000110.2N334S332-N334 PolarHBondContact O-N 3.48Å
333P36Very low38Very low114 Ų114139.9 Ų139.974%0.7476%0.756SS**  trans-68.7116.7-175.628.3-31.8000109.5L335P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.95Å
334N32.3Very low36.9Very low147 Ų147140.5 Ų140.579%0.78676%0.759SS**  trans-80.580.4174.2-155.9-32.2000109.4S332 Q336S332-N334 PolarHBondContact O-N 3.48Å; N334-Q336 VanDerWaalsContact C-N 3.32Å; N334-Q336 PolarHBondContact O-N 2.97Å
335L37Very low35.5Very low163 Ų163139.9 Ų139.985%0.85376%0.759SS**  trans-82.874.7161.6-82.7164.5000108.6P333P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.95Å
336Q34.4Very low35Very low161 Ų161140.1 Ų140.175%0.75276%0.76SS**  trans-160.188165.6-131.8172.713.400112.3N334N334-Q336 VanDerWaalsContact C-N 3.32Å; N334-Q336 PolarHBondContact O-N 2.97Å
337K32.9Very low34.8Very low214 Ų214141.9 Ų141.993%0.9377%0.765SS**  trans-152.675.4141.1-106.6176.1-171.8-174.30108.3
338Q38.4Very low34.5Very low179 Ų179143.5 Ų143.584%0.83677%0.771SS**  trans-66.1138.8148.9-77.7179.1-31.200108.8
339S34.3Very low34.2Very low107 Ų107144 Ų14475%0.74878%0.776SS**  trans65.4142.1136.7-165.40000121.3
340S33.6Very low34.2Very low96 Ų96143 Ų14367%0.67178%0.776SS**  trans81.597.8150.923.50000119.1
341I37Very low34Very low166 Ų166141.6 Ų141.685%0.85177%0.774SS**  32.4120.3109.6-61.9164.4000116
342S32.2Very low33.8Very low96 Ų96137.7 Ų137.767%0.67177%0.77SS**  trans71.8120.2147.1-1680000119.1
343E31.2Very low33.7Very low178 Ų178141.1 Ų141.183%0.83278%0.78SS**  trans17.8127.6142.2-62.6178.2144.500119
344K36.1Very low33.6Very low191 Ų191141.2 Ų141.283%0.8378%0.783SS**  143.8120.8109.7-154.8163.1-172.1173.30112.9
345C27.5Very low33.7Very low92 Ų92140.6 Ų140.662%0.62279%0.785SS**  trans56.7118147.2-74.40000122.8
346N32.5Very low33.5Very low129 Ų129138.2 Ų138.269%0.6978%0.779SS**  67.9108.2117.8-54.2-6000119
347N37.4Very low33.4Very low152 Ų152137.3 Ų137.381%0.81379%0.785SS**  164127.2106.7-77.8-31.9000113.2
348T33.1Very low33.4Very low129 Ų129132.3 Ų132.379%0.79178%0.777SS**  trans1.6138.8158.520.80000123.4
349P33.4Very low33.1Very low120 Ų120131.1 Ų131.178%0.77978%0.775SS**  trans-97.2148.417738.2-31.2000113.3
350T32.6Very low33.1Very low128 Ų128133.7 Ų133.779%0.78578%0.775SS**  trans-155.2108.5170.9-60.40000113.3
351V33.1Very low33Very low127 Ų127134.4 Ų134.477%0.7778%0.78SS**  trans74.2142.8130.6-162.30000122.3
352S32Very low32.7Very low107 Ų107135.3 Ų135.375%0.74878%0.778SS**  trans11094.1141.61.80000121.4
353L29.9Very low32.8Very low168 Ų168138.1 Ų138.188%0.8879%0.785SS**  trans-8.1133.8135.2-154.972.4000119.3
354S34.9Very low32.8Very low115 Ų115139.5 Ų139.580%0.80479%0.789SS**  trans-164.7108.5152.5-68.60000112.8
355T33.7Very low32.7Very low135 Ų135133.6 Ų133.683%0.82878%0.782SS**  trans31.2137.4140.3-35.70000122.8
356P34.1Very low32.9Very low112 Ų112138.7 Ų138.773%0.72780%0.797SS**  trans-88.3151.9-172.937-35.2000113.5
357T31.8Very low33Very low142 Ų142141.6 Ų141.687%0.87181%0.807SS**  trans164107.4143.6-64.10000108.3
358S33.3Very low33.1Very low110 Ų110143.3 Ų143.377%0.76981%0.807SS**  trans-172.2123.3147.1-173.30000109.7Q360S358-Q360 PolarHBondContact O-N 3.49Å
359I31.7Very low33Very low153 Ų153144.3 Ų144.379%0.78581%0.806SS**  trans-53.5120.5170.5-62.4157.5000108.5
360Q34.2Very low33Very low161 Ų161147.1 Ų147.175%0.75281%0.808SS**  trans-105.9109.5158.4-86.6-1759.100107.5S358 F362S358-Q360 PolarHBondContact O-N 3.49Å; Q360-F362 PolarHBondContact O-N 3.28Å
361S31Very low32.8Very low111 Ų111149 Ų14978%0.77681%0.809SS**  trans-53.9118.2164-57.40000109D363S361-D363 PolarHBondContact O-N 2.98Å
362F31.1Very low32.8Very low186 Ų186154.1 Ų154.182%0.81681%0.814SS**  trans-84.6107.2166.1-83.1-86.3000108.1Q360Q360-F362 PolarHBondContact O-N 3.28Å
363D34Very low32.8Very low154 Ų154153.8 Ų153.882%0.82481%0.809SS**  trans-71.3136.6173-156.4-0.5000109.7S361 G365S361-D363 PolarHBondContact O-N 2.98Å; D363-G365 PolarHBondContact O-N 3.44Å
364F31.4Very low32.9Very low207 Ų207153.2 Ų153.291%0.90881%0.806SS**  trans-73.388.2-178.9-89.8-96.6000109.7
365G34.1Very low32.8Very low67 Ų67155.1 Ų155.169%0.69181%0.808SS**  trans-85.8116.6167.600000111D363 E367D363-G365 PolarHBondContact O-N 3.44Å; G365-E367 PolarHBondContact O-N 3.45Å
366E32.2Very low32.6Very low199 Ų199154.7 Ų154.793%0.9380%0.804SS**  trans-47.297174.1-64.2176156.600112.8
367E34.5Very low32.3Very low191 Ų191152.6 Ų152.689%0.89380%0.803SS**  trans-88.9115.1168.5-164.2172.6-172.200109.9G365 I369G365-E367 PolarHBondContact O-N 3.45Å; E367-I369 PolarHBondContact O-N 3.23Å
368K38.5Very low32.3Very low188 Ų188154.7 Ų154.782%0.81780%0.803SS**  trans-55121.2-177.6-65.6175.6179.2178.30111.6Q370K368-Q370 PolarHBondContact O-N 3.02Å; K368-Q370 VanDerWaalsContact O-N 3.08Å
369I32.3Very low32.2Very low150 Ų150159.6 Ų159.677%0.76981%0.81SS**  trans-8.399.4146.8-56.7166.4000112.6E367 Q371E367-I369 PolarHBondContact O-N 3.23Å; I369-Q371 HydrophobicContact CG2-CB 3.85Å
370Q33.2Very low32.4Very low178 Ų178161 Ų16183%0.83281%0.813SS**  trans-96.187.9147.6-75.6-175.427.700107.2K368 W372K368-Q370 PolarHBondContact O-N 3.02Å; K368-Q370 VanDerWaalsContact O-N 3.08Å; Q370-W372 PolarHBondContact O-N 3.47Å
371Q28.7Very low32.3Very low169 Ų169162.5 Ų162.579%0.7982%0.82SS**  trans-60.4111.9166.3-173.617222.500107.7I369 P373I369-Q371 HydrophobicContact CG2-CB 3.85Å; Q371-P373 WeakPolarHBondContact O-CD 3.44Å
372W32.3Very low32.7Very low234 Ų234159.8 Ų159.889%0.88681%0.81SS**  trans-64.6121.2167.6-75.178.9000107.9Q370 L374Q370-W372 PolarHBondContact O-N 3.47Å; W372-L374 PolarHBondContact O-N 2.84Å
373P32.8Very low33.2Very low99 Ų99158.8 Ų158.864%0.64381%0.813SS**  trans-67.8123.5172.626.6-28.9000108.1Q371 N375Q371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-N375 PolarHBondContact O-N 3.37Å
374L30.4Very low34.4Very low157 Ų157160.6 Ų160.682%0.82281%0.813SS**  trans-65.177.9167.8-163.794.1000108.3W372 V376W372-L374 PolarHBondContact O-N 2.84Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 HydrophobicContact CD2-CG2 3.86Å; L374-V376 HydrophobicContact CG-CG2 4.14Å; L374-V376 PolarHBondContact O-N 2.89Å
375N32.7Very low35.8Very low155 Ų155160.5 Ų160.583%0.82981%0.813SS**  trans-78.589.5172.1-106.68.1000108.9P373 G377P373-N375 PolarHBondContact O-N 3.37Å; N375-G377 PolarHBondContact O-N 3.49Å
376V31.4Very low37.7Very low126 Ų126164.4 Ų164.476%0.76481%0.806SS**  trans-71.1111.2163.1-1750000107.3L374L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 HydrophobicContact CD2-CG2 3.86Å; L374-V376 HydrophobicContact CG-CG2 4.14Å; L374-V376 PolarHBondContact O-N 2.89Å
377G27Very low39.7Very low67 Ų67158.3 Ų158.369%0.69179%0.785SS**  trans99.793.4163.400000115.7N375N375-G377 PolarHBondContact O-N 3.49Å
378E32.5Very low41.7Very low187 Ų187153 Ų15387%0.87477%0.774SS**  -166.6140.2126.9-116.4175.2168.300109.5H380E378-H380 PolarHBondContact O-N 2.91Å
379K30Very low43.6Very low213 Ų213147 Ų14793%0.92676%0.76SS**  trans-63.3104.2179.6-67-178.6175.8-178.20109.5
380H36.2Very low45.6Very low182 Ų182145 Ų14584%0.84375%0.748SS**  trans-105.197.6160.9-102.1-69.9000109.5E378 G382E378-H380 PolarHBondContact O-N 2.91Å; H380-G382 PolarHBondContact O-N 3.31Å
381E32.5Very low47.9Very low193 Ų193141.2 Ų141.290%0.90273%0.732SS**  trans-57.7106.9159.5-167.2153.5-171.300107.8
382G38.7Very low50.6Low54 Ų54135.7 Ų135.756%0.55772%0.716SS**  trans-147.3108.8-179.900000107.9H380 K384H380-G382 PolarHBondContact O-N 3.31Å; G382-K384 VanDerWaalsContact C-N 3.27Å; G382-K384 PolarHBondContact O-N 3.19Å
383D42.1Very low53.1Low164 Ų164129.4 Ų129.488%0.87770%0.703SS**  trans-54.981.1-178.5-70.4-41.7000112.3K385D383-K385 PolarHBondContact O-N 3.43Å; D383-K385 VanDerWaalsContact O-N 3.13Å
384K59.1Low55.6Low193 Ų193127.9 Ų127.984%0.83969%0.69SS**  trans-76.997.4164.1-72.2-178.9-178.6178.40106.5G382 R386G382-K384 VanDerWaalsContact C-N 3.27Å; G382-K384 PolarHBondContact O-N 3.19Å; K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.4Å
385K61.4Low58.1Low205 Ų205125.7 Ų125.789%0.89168%0.675SS**  trans-54.892167.6-67.4-171.5178-1760108.7D383D383-K385 PolarHBondContact O-N 3.43Å; D383-K385 VanDerWaalsContact O-N 3.13Å
386R72.4Confident60.8Low149 Ų149124.2 Ų124.256%0.56266%0.663SS**  trans-62.8142170.5-72.9-173.1179.6172.94.4108.6K384 E390 L391 D394K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.4Å; R386-E390 WeakPolarHBondContact CA-OE2 3.49Å; R386-E390 HydrophobicContact CB-CB 4.27Å; R386-L391 HydrophobicContact CB-CG 4.18Å; R386-D394 IonicContact CZ-OD2 3.75Å; R386-D394 IonicContact NH1-OD2 2.72Å; R386-D394 PolarHBondContact NH1-OD2 2.83Å
387S76.1Confident63.7Low70 Ų70124.6 Ų124.649%0.4965%0.654SS.*  trans-62.8148.5174.2179.70000109.6A389 E390 L391S387-A389 PolarHBondContact O-N 3.14Å; S387-A389 VanDerWaalsContact O-N 3.07Å; S387-E390 PolarHBondContact N-OE2 2.78Å; S387-E390 WeakPolarHBondContact O-CB 3.47Å; S387-E390 PolarHBondContact O-N 3.04Å; S387-L391 PolarHBondContact O-N 2.94Å; S387-L391 VanDerWaalsContact O-N 3.08Å
388A74.6Confident66.5Low80 Ų80126.7 Ų126.766%0.66165%0.647SS**Hα-helixtrans-54.4-29.5174.800000112.1A392A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.35Å
389A78.5Confident69.1Low63 Ų63124 Ų12452%0.52163%0.632SS.*Hα-helixtrans-67-41.1173.900000112.8S387 A392 V393S387-A389 PolarHBondContact O-N 3.14Å; S387-A389 VanDerWaalsContact O-N 3.07Å; A389-A392 PolarHBondContact O-N 3.38Å; A389-V393 VanDerWaalsContact O-CG2 3.32Å; A389-V393 WeakPolarHBondContact O-CG2 3.32Å; A389-V393 PolarHBondContact O-N 2.82Å
390E74.7Confident71.8Confident107 Ų107116.6 Ų116.650%0.561%0.607SS.*Hα-helixtrans-67.3-42.5177.1-69.4178.1152.500110.9R386 S387 A392 V393 D394R386-E390 WeakPolarHBondContact CA-OE2 3.49Å; R386-E390 HydrophobicContact CB-CB 4.27Å; S387-E390 PolarHBondContact N-OE2 2.78Å; S387-E390 WeakPolarHBondContact O-CB 3.47Å; S387-E390 PolarHBondContact O-N 3.04Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 2.86Å; E390-V393 PolarHBondContact O-N 2.91Å; E390-D394 WeakPolarHBondContact O-CB 3.45Å; E390-D394 PolarHBondContact O-N 3.03Å
391L82.7Confident74.1Confident98 Ų98110.4 Ų110.451%0.51358%0.58SS.*Hα-helixtrans-61.5-39.7174.6-77.9166.6000112.3R386 S387 D394 E395R386-L391 HydrophobicContact CB-CG 4.18Å; S387-L391 PolarHBondContact O-N 2.94Å; S387-L391 VanDerWaalsContact O-N 3.08Å; L391-D394 PolarHBondContact O-N 3.39Å; L391-E395 WeakPolarHBondContact O-CB 3.32Å; L391-E395 PolarHBondContact O-N 3.27Å
392A84.5Confident76.3Confident54 Ų54104 Ų10445%0.44656%0.56SS.*Hα-helixtrans-67.8-37.7177.300000112.7A388 A389 E390 H396A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.35Å; A389-A392 PolarHBondContact O-N 3.38Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 2.86Å; A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.38Å; A392-H396 PolarHBondContact O-N 3.48Å
393V85.2Confident78.3Confident101 Ų101104 Ų10461%0.61255%0.554SS**Hα-helixtrans-67.6-44.2175.11720000110.6A389 E390 H396 F397A389-V393 VanDerWaalsContact O-CG2 3.32Å; A389-V393 WeakPolarHBondContact O-CG2 3.32Å; A389-V393 PolarHBondContact O-N 2.82Å; E390-V393 PolarHBondContact O-N 2.91Å; V393-H396 PolarHBondContact O-N 3Å; V393-F397 WeakPolarHBondContact O-CB 3.35Å; V393-F397 PolarHBondContact O-N 3.34Å
394D84.6Confident79.8Confident68 Ų68103.6 Ų103.636%0.36455%0.545SS..Hα-helixtrans-61.7-43.5176.6-75.3-15000111.3R386 E390 L391 F397 E398R386-D394 IonicContact CZ-OD2 3.75Å; R386-D394 IonicContact NH1-OD2 2.72Å; R386-D394 PolarHBondContact NH1-OD2 2.83Å; E390-D394 WeakPolarHBondContact O-CB 3.45Å; E390-D394 PolarHBondContact O-N 3.03Å; L391-D394 PolarHBondContact O-N 3.39Å; D394-F397 PolarHBondContact O-N 3.13Å; D394-E398 PolarHBondContact O-N 3.13Å
395E84.4Confident80.5Confident111 Ų111102.7 Ų102.752%0.51954%0.536SS..Hα-helixtrans-64.8-42.8176.7-169.6-170.2157.200111.9L391 F397 E398 K399L391-E395 WeakPolarHBondContact O-CB 3.32Å; L391-E395 PolarHBondContact O-N 3.27Å; E395-F397 VanDerWaalsContact C-N 3.33Å; E395-E398 PolarHBondContact O-N 2.78Å; E395-K399 HydrophobicContact CG-CD 4.31Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 WeakPolarHBondContact O-CG 3.41Å; E395-K399 PolarHBondContact O-N 2.97Å; E395-K399 VanDerWaalsContact OE1-CE 3.3Å; E395-K399 WeakPolarHBondContact OE1-CE 3.35Å; E395-K399 IonicContact OE1-NZ 3.79Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å
396H89Confident80.8Confident124 Ų12495.8 Ų95.857%0.57452%0.518SS*.Hα-helixtrans-65.5-38.8177.1-175.9-85.7000111.7A392 V393 S400A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.38Å; A392-H396 PolarHBondContact O-N 3.48Å; V393-H396 PolarHBondContact O-N 3Å; H396-S400 WeakPolarHBondContact O-CB 3.31Å; H396-S400 PolarHBondContact O-N 3.35Å; H396-S400 PolarHBondContact O-OG 3.48Å
397F91.3Very high80.3Confident133 Ų13392.2 Ų92.258%0.58352%0.516SS*.Hα-helixtrans-63.2-47.5176-174.7-105.3000111.1V393 D394 E395 S400 L401V393-F397 WeakPolarHBondContact O-CB 3.35Å; V393-F397 PolarHBondContact O-N 3.34Å; D394-F397 PolarHBondContact O-N 3.13Å; E395-F397 VanDerWaalsContact C-N 3.33Å; F397-S400 WeakPolarHBondContact O-CB 3.29Å; F397-S400 PolarHBondContact O-N 3.4Å; F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.22Å; F397-L401 HydrophobicContact CE2-CD1 4.24Å; F397-L401 HydrophobicContact CZ-CD1 3.47Å; F397-L401 VanDerWaalsContact CZ-CD1 3.47Å; F397-L401 PolarHBondContact O-N 3.19Å
398E85.5Confident79.2Confident112 Ų11291.6 Ų91.652%0.52351%0.514SS..Hα-helixtrans-70.8-34.9179.5-86.7-64-140.600114.3D394 E395 S400 L401 A402D394-E398 PolarHBondContact O-N 3.13Å; E395-E398 PolarHBondContact O-N 2.78Å; E398-S400 VanDerWaalsContact C-N 3.26Å; E398-S400 PolarHBondContact O-N 2.72Å; E398-L401 PolarHBondContact O-N 3.47Å; E398-L401 VanDerWaalsContact OE2-CB 3.29Å; E398-L401 WeakPolarHBondContact OE2-CB 3.39Å; E398-A402 WeakPolarHBondContact O-CB 3.45Å; E398-A402 PolarHBondContact O-N 2.91Å
399K87.3Confident78.1Confident130 Ų13091.2 Ų91.257%0.56551%0.507SS*.Hα-helixtrans-60-39.3170.2-80.7175.3170.7169.70111.6E395 A403E395-K399 HydrophobicContact CG-CD 4.31Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 WeakPolarHBondContact O-CG 3.41Å; E395-K399 PolarHBondContact O-N 2.97Å; E395-K399 VanDerWaalsContact OE1-CE 3.3Å; E395-K399 WeakPolarHBondContact OE1-CE 3.35Å; E395-K399 IonicContact OE1-NZ 3.79Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.2Å
400S87Confident76.8Confident58 Ų5894.9 Ų94.941%0.40651%0.511SS..Hα-helixtrans-68.7-39.7177.9-600000112.1H396 F397 E398 A403 F404H396-S400 WeakPolarHBondContact O-CB 3.31Å; H396-S400 PolarHBondContact O-N 3.35Å; H396-S400 PolarHBondContact O-OG 3.48Å; F397-S400 WeakPolarHBondContact O-CB 3.29Å; F397-S400 PolarHBondContact O-N 3.4Å; E398-S400 VanDerWaalsContact C-N 3.26Å; E398-S400 PolarHBondContact O-N 2.72Å; S400-A403 PolarHBondContact O-N 3.08Å; S400-F404 WeakPolarHBondContact O-CB 3.33Å; S400-F404 PolarHBondContact O-N 3.07Å
401L84Confident75.6Confident51 Ų5198.4 Ų98.427%0.26753%0.525SS..Hα-helixtrans-66.7-43.2176.8-116.3143.6000112.1F397 E398 F404 R405F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.22Å; F397-L401 HydrophobicContact CE2-CD1 4.24Å; F397-L401 HydrophobicContact CZ-CD1 3.47Å; F397-L401 VanDerWaalsContact CZ-CD1 3.47Å; F397-L401 PolarHBondContact O-N 3.19Å; E398-L401 PolarHBondContact O-N 3.47Å; E398-L401 VanDerWaalsContact OE2-CB 3.29Å; E398-L401 WeakPolarHBondContact OE2-CB 3.39Å; L401-F404 PolarHBondContact O-N 2.91Å; L401-R405 WeakPolarHBondContact O-CG 3.39Å; L401-R405 PolarHBondContact O-N 3.3Å
402A79.8Confident73.8Confident59 Ų59101.3 Ų101.349%0.48854%0.536SS..Hα-helixtrans-62.5-43.417400000111.8E398 F404 R405 A406E398-A402 WeakPolarHBondContact O-CB 3.45Å; E398-A402 PolarHBondContact O-N 2.91Å; A402-F404 PolarHBondContact O-N 2.86Å; A402-R405 PolarHBondContact O-N 3.34Å; A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.32Å
403A79.3Confident71.9Confident53 Ų53104.1 Ų104.144%0.43854%0.543SS..Hα-helixtrans-64.6-38.1176.700000112.6K399 S400 A406 S407K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.2Å; S400-A403 PolarHBondContact O-N 3.08Å; A403-A406 PolarHBondContact O-N 2.89Å; A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 2.94Å; A403-S407 PolarHBondContact O-OG 3.44Å
404F74.2Confident69.8Low157 Ų157105.2 Ų105.269%0.68955%0.546SS*.Hα-helixtrans-64.1-45175-175.5-98.3000111.6S400 L401 A402 A406 S407 A408S400-F404 WeakPolarHBondContact O-CB 3.33Å; S400-F404 PolarHBondContact O-N 3.07Å; L401-F404 PolarHBondContact O-N 2.91Å; A402-F404 PolarHBondContact O-N 2.86Å; F404-A406 PolarHBondContact O-N 3.37Å; F404-S407 PolarHBondContact O-N 3.04Å; F404-A408 PolarHBondContact O-N 2.79Å
405R74.5Confident67.5Low173 Ų173112.4 Ų112.465%0.65357%0.568SS**Hα-helixtrans-61.9-42.1176-70.5176.7-176.2-178.44.4112.2L401 A402 S407 S409L401-R405 WeakPolarHBondContact O-CG 3.39Å; L401-R405 PolarHBondContact O-N 3.3Å; A402-R405 PolarHBondContact O-N 3.34Å; R405-S407 VanDerWaalsContact C-N 3.33Å; R405-S407 PolarHBondContact O-N 2.97Å; R405-S409 PolarHBondContact O-N 2.98Å
406A67.5Low65.3Low60 Ų60113.6 Ų113.650%0.49658%0.577SS.*Hα-helixtrans-68.2-30.3175.700000113.2A402 A403 F404 S409A402-A406 WeakPolarHBondContact O-CB 3.32Å; A402-A406 PolarHBondContact O-N 3.32Å; A403-A406 PolarHBondContact O-N 2.89Å; F404-A406 PolarHBondContact O-N 3.37Å; A406-S409 PolarHBondContact O-OG 3.19Å; A406-S409 VanDerWaalsContact O-OG 3.14Å
407S62Low62.5Low75 Ų75114.4 Ų114.452%0.52458%0.584SS.*Hα-helixtrans-78.7-31.6178.4-60.20000112.7A403 F404 R405A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 2.94Å; A403-S407 PolarHBondContact O-OG 3.44Å; F404-S407 PolarHBondContact O-N 3.04Å; R405-S407 VanDerWaalsContact C-N 3.33Å; R405-S407 PolarHBondContact O-N 2.97Å
408A53Low59.6Low56 Ų56114.1 Ų114.146%0.46360%0.597SS.*Hα-helixtrans-69.7-36.7175.200000112.3F404 K410F404-A408 PolarHBondContact O-N 2.79Å; A408-K410 VanDerWaalsContact C-N 3.33Å; A408-K410 PolarHBondContact O-N 3.04Å
409S51.3Low57Low72 Ų72117.4 Ų117.450%0.50361%0.612SS.*Hα-helixtrans-72.2-25.3177.869.50000113.4R405 A406R405-S409 PolarHBondContact O-N 2.98Å; A406-S409 PolarHBondContact O-OG 3.19Å; A406-S409 VanDerWaalsContact O-OG 3.14Å
410K50.6Low54.5Low141 Ų141119.1 Ų119.161%0.61363%0.627SS**Hα-helixtrans-74.5-26.2-179.2-161164.8-177.1173.90113.7A408A408-K410 VanDerWaalsContact C-N 3.33Å; A408-K410 PolarHBondContact O-N 3.04Å
411K49.2Very low51.9Low181 Ų181125.3 Ų125.379%0.78765%0.649SS**Hα-helixtrans-78.9-13.2179.5-79.6-174.1176.8179.90114.9
412Q46.1Very low49.8Very low159 Ų159130.8 Ų130.874%0.74368%0.678SS**Hα-helixtrans-89.3-22.9173.1-94.3-175.7-44.500113.5
413N43.4Very low47.5Very low112 Ų112138 Ų13860%0.59970%0.699SS**Hα-helixtrans-91-19.2-178.2-79.1-27.1000114.7R415N413-R415 PolarHBondContact O-N 2.73Å
414D41Very low45.3Very low125 Ų125140.9 Ų140.967%0.66872%0.715SS**THydrogen-bonded Turntrans-80.51.7178.3-73.5-17.4000113.4
415R37.3Very low43.2Very low219 Ų219142.6 Ų142.683%0.82673%0.725SS**THydrogen-bonded Turntrans-106.52.9-178.2-133.3179.5-172.4-169.52.1114.5N413N413-R415 PolarHBondContact O-N 2.73Å
416I37.5Very low41Very low136 Ų136139 Ų13970%0.69773%0.732SS**SBendtrans-123.128.8-174.4-43.3179.6000111.6
417I31.9Very low39Very low141 Ų141141.4 Ų141.472%0.72375%0.746SS**  trans-134.868.2179.1-45.7176.7000109.8
418C29.9Very low37.5Very low127 Ų127144.8 Ų144.886%0.85876%0.757SS**SBendtrans-155.973.5166.8-87.10000108.4
419E30.4Very low36.3Very low181 Ų181147.8 Ų147.885%0.84677%0.769SS**  trans162.9102.1151.4-95.5174.4-17100107.2
420D34.4Very low35.3Very low166 Ų166153.3 Ų153.389%0.88879%0.787SS**  trans-167.175.7145.9-100-17.7000109L422D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 PolarHBondContact O-N 3.44Å
421H33.3Very low34.4Very low187 Ų187152.2 Ų152.287%0.86680%0.797SS**  trans-79.475.2162.8-74.2-75.1000109.5
422L39Very low33.4Very low166 Ų166147.5 Ų147.587%0.86979%0.792SS**  trans-154.392.2159.8-97.1169.1000110.1D420 S424D420-L422 VanDerWaalsContact C-N 3.31Å; D420-L422 PolarHBondContact O-N 3.44Å; L422-S424 PolarHBondContact O-N 2.98Å
423K32.9Very low32.7Very low212 Ų212146.3 Ų146.392%0.92279%0.791SS**  trans-60.6122.6170.6-79.9168.2168.71770111.1
424S32.6Very low32.3Very low113 Ų113148.3 Ų148.379%0.7980%0.796SS**  trans-162.689.1136.8-169.10000112.1L422L422-S424 PolarHBondContact O-N 2.98Å
425Q28.9Very low31.8Very low192 Ų192149 Ų14990%0.89780%0.8SS**  trans3.7109.2134.6-168.7177.314.300117.3
426A29.8Very low31.6Very low97 Ų97146.4 Ų146.480%0.80280%0.802SS**  trans-164.9116.4138.600000110.5
427S24.7Very low31.2Very low112 Ų112146.6 Ų146.678%0.78380%0.803SS**  trans-69.3172.8170.6-179.30000111.1
428I30.7Very low31.1Very low146 Ų146147.3 Ų147.375%0.74981%0.808SS**  trans111.390154.5-55.3170.4000115.5
429T28.3Very low31Very low118 Ų118146.3 Ų146.372%0.72480%0.803SS**  76.7129119.8-29.40000121.2
430H29.2Very low30.9Very low188 Ų188145.1 Ų145.187%0.8780%0.801SS**  trans-38.1133.4165.9-56.7-83.8000115.3
431S31.4Very low30.5Very low118 Ų118143.2 Ų143.283%0.82580%0.796SS**  trans-151.1131138.687.60000110.4
432A28.5Very low30.4Very low83 Ų83141.4 Ų141.469%0.68679%0.791SS**  trans-64.3139.9173.500000110.8
433N31.1Very low30.1Very low134 Ų134142.2 Ų142.272%0.71779%0.788SS**  -179.2121.6128.9-94.3-47.5000111.5
434Q36.7Very low29.9Very low153 Ų153136.2 Ų136.272%0.71577%0.766SS**  trans69.3114.1132.2-60.617833.300119.8
435N29.6Very low29.9Very low141 Ų141136.1 Ų136.175%0.75477%0.765SS**  trans58.6109.3135.7-64-31.9000117.5
436L33.2Very low29.9Very low164 Ų164134.8 Ų134.886%0.85976%0.764SS**  -166.589125.4-94.9165.4000109.2
437I29.3Very low30.1Very low139 Ų139135.8 Ų135.871%0.71376%0.761SS**  trans38.8103.8131.1-54.3169.8000116.9
438N30.1Very low30.3Very low157 Ų157141.7 Ų141.784%0.8477%0.767SS**  -175.3104.7116.1-96.2-23.6000110.9
439S27.2Very low30.5Very low106 Ų106142.1 Ų142.174%0.74177%0.771SS**  trans-82.9136.4165.854.50000110.5
440L28.8Very low30.7Very low156 Ų156144.5 Ų144.582%0.81777%0.773SS**  trans-158.2101.7130.8-154.866.3000111.6
441T26.1Very low31Very low126 Ų126143.1 Ų143.177%0.77377%0.767SS**  trans-96.7126.2157.537.60000108.6
442L30.2Very low31.1Very low148 Ų148142.2 Ų142.278%0.77575%0.753SS**  trans-152.3104.6156.5-76.8175.7000107.4
443K33.1Very low31.2Very low184 Ų184146.5 Ų146.580%0.876%0.756SS**  58.9109.479.9-80.4-152.2170.8-171.50114.4
444D27.6Very low31.3Very low85 Ų85145.3 Ų145.346%0.45576%0.758SS.*  trans-55.3134.5163.4-52.8-76000112.9H912D444-H912 IonicContact OD1-CD2 2.62Å; D444-H912 PolarHBondContact OD1-CD2 3.32Å; D444-H912 IonicContact OD1-CG 2.9Å; D444-H912 IonicContact OD2-CD2 2.98Å; D444-H912 PolarHBondContact OD2-CD2 3.49Å; D444-H912 IonicContact OD2-CE1 3.97Å; D444-H912 IonicContact OD2-CG 3.47Å; D444-H912 IonicContact OD2-NE2 3.1Å; D444-H912 PolarHBondContact OD2-NE2 2.92Å; D444-H912 VanDerWaalsContact OD2-NE2 3.1Å
445S33Very low31.1Very low111 Ų111145 Ų14578%0.77676%0.761SS**  trans-163100.4154.7-58.70000109.7T447S445-T447 PolarHBondContact O-N 3.04Å
446D29.1Very low31.3Very low164 Ų164145.1 Ų145.188%0.87776%0.76SS**  trans-68.9118.7158.1-85-39.8000109.4
447T34.3Very low31.3Very low119 Ų119145 Ų14573%0.7376%0.755SS**  trans-158.194.8148-180000109.8S445 L449S445-T447 PolarHBondContact O-N 3.04Å; T447-L449 PolarHBondContact O-N 3.37Å
448Y27.9Very low31.3Very low235 Ų235147.3 Ų147.392%0.92276%0.756SS**  trans-67.9116.4160.4-99.3-96.7000108.5
449L35.4Very low31.5Very low156 Ų156147 Ų14782%0.81775%0.754SS**  trans-138.8122163.1-124.8147.2000109.1T447T447-L449 PolarHBondContact O-N 3.37Å
450H33.3Very low31.7Very low168 Ų168149.4 Ų149.478%0.77875%0.751SS**  trans-39.1155.5176.1-92.1-99.6000116.7
451H34.7Very low32Very low158 Ų158150 Ų15073%0.73175%0.748SS**  trans120.1136.5149.8-79.1-71.1000112.2
452D33.7Very low32.4Very low99 Ų99151.1 Ų151.153%0.52974%0.744SS.*  cis-176.6144.2-9.4-136.5-27.3000102.2
453K30.8Very low32.3Very low174 Ų174152.2 Ų152.276%0.75775%0.745SS**  trans37.7114.7149.3-65.3157.4-172.6140.30119.7
454S33.2Very low32.3Very low109 Ų109151.9 Ų151.976%0.76275%0.747SS**  176.5112.7113.154.60000109.6
455N31.5Very low32.4Very low146 Ų146152.1 Ų152.178%0.78176%0.755SS**  67109.598.4-111.70.1000111
456I35.1Very low32.4Very low143 Ų143153.6 Ų153.673%0.73375%0.753SS**  172.3137.681.4-87.6143000110.7
457H33.2Very low32.5Very low162 Ų162153 Ų15375%0.7575%0.745SS**  trans58.9122151.5-93.636.7000122.1
458Y28.4Very low32.4Very low187 Ų187152.8 Ų152.873%0.73374%0.744SS**  75115.859.3-94.8-80.4000117.6
459N35.3Very low32.4Very low151 Ų151150.1 Ų150.181%0.80774%0.74SS**  trans171.5105.4141.5-85.9-23000106.3
460K32Very low32.5Very low156 Ų156147 Ų14768%0.67873%0.728SS**  cis62.893.144.3-150-178.8-170.8-175.30115.5
461F34.4Very low32.4Very low170 Ų170148.9 Ų148.975%0.74673%0.734SS**  trans-145.1104149-87.1-81.7000107.5
462Q33.9Very low32.2Very low149 Ų149144.7 Ų144.770%0.69673%0.734SS**  81.1102.393.1-76.8-177.211.900112.1
463H27.7Very low32.2Very low170 Ų170147.7 Ų147.779%0.78775%0.745SS**  76.8115.279.6-87.7-78.6000114.2
464E34.1Very low32Very low178 Ų178147.3 Ų147.383%0.83275%0.746SS**  171.2105.7128.1-94.3178.4174.300108.1
465S29.2Very low31.9Very low90 Ų90152 Ų15263%0.62975%0.748SS**  59.1113.49586.80000111.8
466L32.7Very low31.8Very low141 Ų141151.7 Ų151.774%0.73875%0.746SS**  175.4148.981.2-78.2159.4000102.4
467Q31.2Very low31.4Very low153 Ų153150.8 Ų150.872%0.71575%0.747SS**  cis-174144.724.1-131.8165-3.300106.4
468T33.1Very low31Very low114 Ų114149.1 Ų149.170%0.69974%0.744SS**  trans38.6104.8142.9350000118
469E28Very low30.9Very low179 Ų179145.3 Ų145.384%0.83674%0.744SS**  94.4147.671.4-100.6-119.3133.600112.9
470P37.7Very low30.6Very low89 Ų89144.7 Ų144.758%0.57874%0.739SS**  trans-110.8-179.4-14842.7-31.6000110.7
471K30.9Very low30.4Very low208 Ų208144.2 Ų144.290%0.90474%0.744SS**  trans-178.4112.7152.5-103.3152.5-177.2179.70106.2
472G30.8Very low30.1Very low70 Ų70144.2 Ų144.272%0.72275%0.746SS**  95.6125.28900000105.8
473E32.7Very low29.6Very low163 Ų163146.8 Ų146.876%0.76275%0.751SS**  cis-156.9125.743.5-75.2161.8171.700107.3
474H27.9Very low29.5Very low166 Ų166144.1 Ų144.177%0.76975%0.751SS**  48.5114.3100-91.6-89.6000115.2
475Y30.7Very low29.2Very low208 Ų208143 Ų14382%0.81675%0.751SS**  trans-173.684.1130.5-64.3-55.8000107.9
476N29.9Very low29.2Very low139 Ų139144.2 Ų144.274%0.74376%0.757SS**  68.491.5103.6-156.26.5000115.3
477V25.5Very low28.9Very low123 Ų123146.5 Ų146.575%0.74576%0.761SS**  trans-94.5136.2160.6-1480000107.3
478N25.4Very low28.9Very low128 Ų128144 Ų14468%0.68476%0.758SS**  trans83.7142.2170.5-57.5-27.2000117.7
479S26.2Very low28.7Very low106 Ų106144.9 Ų144.974%0.74176%0.763SS**  trans82.5130.8157.7-280000110.9
480I28.2Very low29Very low138 Ų138141.2 Ų141.271%0.70876%0.757SS**  -162.9134.952.2-76.2175000107.2Q482I480-Q482 PolarHBondContact O-N 3.31Å
481L28.8Very low28.6Very low146 Ų146144.2 Ų144.276%0.76477%0.768SS**  trans-44.4122.1156.9-80.185.4000110.6Y483L481-Y483 HydrophobicContact CD2-CE2 4.42Å
482Q26.8Very low28.8Very low171 Ų171138.8 Ų138.880%0.79976%0.755SS**  trans-145.792.9154.1-104.4165.821.200106.5I480I480-Q482 PolarHBondContact O-N 3.31Å
483Y24.4Very low28.8Very low202 Ų202142.5 Ų142.579%0.79276%0.758SS**  34.5102.598.2-82-84.4000111.5L481L481-Y483 HydrophobicContact CD2-CE2 4.42Å
484S26.2Very low28.7Very low114 Ų114141.8 Ų141.880%0.79776%0.758SS**  168.1123.9120.3-70.30000110.8
485N27.2Very low28.5Very low155 Ų155138.2 Ų138.283%0.82976%0.758SS**  trans-26.1146144.3-85.7-46000112.8
486P29.4Very low28.5Very low115 Ų115134.4 Ų134.475%0.74776%0.756SS**  -136.1150.451.922.41.9000113.3
487K26.4Very low28.3Very low190 Ų190133.3 Ų133.383%0.82675%0.754SS**  60.6152.581.4-116.8-153171168.20113.4
488P30.7Very low28.4Very low100 Ų100133.4 Ų133.465%0.64976%0.759SS**  -125.1144.3-112.432.9-14.1000111.5
489T29.8Very low28.5Very low132 Ų132135.9 Ų135.981%0.8177%0.766SS**  trans-152113.4164.346.80000110.9
490S33.2Very low28.6Very low103 Ų103139 Ų13972%0.7278%0.775SS**  trans47.6131.313265.50000117.4
491N30.7Very low28.6Very low151 Ų151137.7 Ų137.781%0.80777%0.773SS**  cis-169.816015.8-130.4-12.5000104.4
492P34.4Very low28.6Very low95 Ų95137 Ų13762%0.61777%0.769SS**  trans-74.1160.2-170.836-34.6000109.8
493N30.7Very low28.6Very low147 Ų147139.4 Ų139.479%0.78678%0.778SS**  trans-177.4126.9134.9-95.9-28.3000112.4
494L29.9Very low28.8Very low148 Ų148136.6 Ų136.678%0.77578%0.776SS**  trans67.2101.1158.9-69.490.8000116.2
495A24.5Very low28.8Very low91 Ų91137.4 Ų137.475%0.75278%0.778SS**  70149.175.100000113.1
496V30.4Very low28.9Very low129 Ų129135.6 Ų135.678%0.78278%0.778SS**  trans97.182.4-179.3-169.30000112.5
497T26.4Very low28.9Very low116 Ų116135 Ų13571%0.71278%0.776SS**  55.6111.586.9650000114.4
498C27.3Very low29Very low124 Ų124133.4 Ų133.484%0.83878%0.775SS**  170.5136.3114.2-86.90000110.1
499E27.6Very low28.8Very low180 Ų180132.4 Ų132.484%0.84177%0.77SS**  trans-69.6128.2-173.3-58.6-176.7150.200112.2T501E499-T501 PolarHBondContact O-N 3.43Å; E499-T501 VanDerWaalsContact O-N 3.14Å
500N28.1Very low28.7Very low173 Ų173136.9 Ų136.993%0.92577%0.773SS**  trans-78.297.3168.6-90.3-8.2000109.8
501T27.7Very low28.5Very low109 Ų109140.9 Ų140.967%0.66978%0.78SS**  trans-71.6162.215731.30000110.8E499E499-T501 PolarHBondContact O-N 3.43Å; E499-T501 VanDerWaalsContact O-N 3.14Å
502L27.8Very low28.3Very low131 Ų131141.6 Ų141.669%0.68678%0.783SS**  trans92.2101.4157.3-59.6146.3000118.3L504L502-L504 HydrophobicContact CD2-CD1 4.45Å
503F27.2Very low28.1Very low222 Ų222143.5 Ų143.597%0.97479%0.793SS**  trans-125.980.9132.2-87-78.7000108.8
504L29.3Very low27.9Very low143 Ų143141.1 Ų141.175%0.74979%0.788SS**  trans-91.7136151.7-96.888.7000108L502L502-L504 HydrophobicContact CD2-CD1 4.45Å
505P26.6Very low28.1Very low131 Ų131139.7 Ų139.785%0.85179%0.786SS**  trans-80.2120.8173.631.7-28.1000109.1
506S29.5Very low28.5Very low118 Ų118141.7 Ų141.783%0.82578%0.784SS**  trans-127.9125.7165.5-172.30000110.9
507S28Very low28.6Very low101 Ų101143.8 Ų143.871%0.70679%0.785SS**  trans-67.3138.7177.9-380000112.2
508I28.1Very low29.2Very low158 Ų158146 Ų14681%0.8179%0.791SS**  trans58116.9139.7-67.9163.2000118.3
509S27.5Very low29.6Very low78 Ų78147.5 Ų147.555%0.54579%0.786SS.*  140.9122.8117.3-109.50000113.3
510R26.8Very low29.9Very low226 Ų226146 Ų14685%0.85378%0.784SS**  trans69.3138.5148.6-52.8169.1-143.2-126.47.5113.8
511Q29Very low30.2Very low187 Ų187140.9 Ų140.987%0.87477%0.772SS**  cis-170.314641.1-161.3167.1-1100108.3
512L26.7Very low30.6Very low167 Ų167143 Ų14387%0.87478%0.777SS**  trans-66.7146.5177-70.6153.4000113.2
513T30.6Very low30.7Very low135 Ų135145.4 Ų145.483%0.82879%0.785SS**  trans-169.9136.5140.350.40000106.2
514S26.8Very low31Very low97 Ų97140.8 Ų140.868%0.67878%0.78SS**  cis176.8175.9-4.543.50000105.5
515T33.8Very low31Very low118 Ų118142 Ų14272%0.72479%0.787SS**  trans81.7127.4168.164.40000116
516D33.3Very low31.4Very low133 Ų133139.7 Ų139.771%0.71179%0.787SS**  cis-158.8128.69.1-83.6-29.1000107.9
517E32.6Very low31.3Very low173 Ų173139.4 Ų139.481%0.80879%0.785SS**  84.7140.6101.4-69.7-163.415600118.1
518L38.8Very low31.5Very low161 Ų161142.9 Ų142.984%0.84379%0.794SS**  trans99.8142163.8-58.8166000118.1
519H35.1Very low31.5Very low156 Ų156143.4 Ų143.472%0.72279%0.793SS**  -169.9148.1-57.5-134.2-71000105.7
520D35.1Very low31.8Very low150 Ų150146.5 Ų146.580%0.80281%0.809SS**  trans61.6142.5158.7-62-15.5000120.4
521G33.3Very low32Very low65 Ų65143.3 Ų143.367%0.6780%0.803SS**  cis157.1153.15.600000110.2
522I36.5Very low31.9Very low154 Ų154139.6 Ų139.679%0.7980%0.798SS**  trans95.2109.3148.2-52.9169.5000120.9
523E29.7Very low32.2Very low181 Ų181137.5 Ų137.585%0.84679%0.794SS**  trans44.5133.3133.8-59.3175.9148.200124.4
524S33.7Very low32Very low125 Ų125137.7 Ų137.787%0.87479%0.79SS**  164.3143.3102.3-165.30000114.6
525D30.4Very low32.3Very low168 Ų168141.4 Ų141.490%0.89880%0.8SS**  trans-70.7158.2-174.6-87.1-45.1000116.8
526G34.4Very low31.9Very low82 Ų82139.7 Ų139.785%0.84579%0.79SS**  trans-174.795.2165.200000114.2
527S27.5Very low31.5Very low113 Ų113140 Ų14079%0.7979%0.792SS**  trans-84.4156.7-178.855.30000113.9
528I31.3Very low31.2Very low173 Ų173137.3 Ų137.389%0.88779%0.787SS**  trans-158.5123.7140.2-87.7142.4000108.8
529Q29.4Very low30.6Very low170 Ų170135.8 Ų135.879%0.79479%0.785SS**  trans-81151.5174-65.9168.9-12.300111.8
530V33.1Very low30.3Very low143 Ų143132.3 Ų132.387%0.86778%0.783SS**  trans-154.3118.9130.7-174.10000111.9
531H30.8Very low29.9Very low159 Ų159133.5 Ų133.574%0.73679%0.788SS**  trans9.2121158.5-71.2-9.8000126.3
532S28Very low29.7Very low109 Ų109136.9 Ų136.976%0.76279%0.791SS**  44.3150103.2-57.90000121.8
533P32.8Very low29.1Very low122 Ų122140.3 Ų140.379%0.79279%0.794SS**  cis-141.1152.831.337.6-16.5000119.1
534N26.6Very low29.2Very low140 Ų140141.1 Ų141.175%0.74980%0.795SS**  trans-51.5143.4157.3-100.6-32000113.4
535I32.3Very low28.8Very low175 Ų175144 Ų14490%0.89779%0.792SS**  trans-115.3124.5143-63.9177.4000107.8
536T25.8Very low29Very low82 Ų82144.3 Ų144.350%0.50379%0.791SS.*  trans-113.8141.3-162.8-62.60000108.5
537N24.4Very low28.5Very low140 Ų140147.6 Ų147.675%0.74978%0.783SS**  trans61.2149.9156.7-59.1-14.5000116.2
538T26.3Very low28.5Very low116 Ų116150.7 Ų150.771%0.71278%0.782SS**  cis179.6142.648.8-28.60000107.3
539T25.4Very low28.4Very low129 Ų129146.7 Ų146.779%0.79178%0.775SS**  trans29.4122.1143.945.50000121.1
540A29.4Very low28.2Very low82 Ų82144.2 Ų144.268%0.67878%0.776SS**  -164.8101.2125.200000111.7N542A540-N542 PolarHBondContact O-N 2.93Å; A540-N542 VanDerWaalsContact O-N 3.08Å
541L26.4Very low28Very low175 Ų175143.2 Ų143.292%0.91678%0.776SS**  trans-51106148.8-81.5155.7000108.4
542N30.2Very low27.7Very low136 Ų136139.9 Ų139.973%0.72777%0.77SS**  trans-126.5104.4164.2-93.2-33.8000111.4A540 F544A540-N542 PolarHBondContact O-N 2.93Å; A540-N542 VanDerWaalsContact O-N 3.08Å; N542-F544 PolarHBondContact O-N 3.39Å
543R24.1Very low27.6Very low227 Ų227140.9 Ų140.986%0.85777%0.772SS**  trans-49.5118.6165.5-53.1168.9-147.3158.74.9109
544F30.9Very low27.3Very low197 Ų197140.1 Ų140.186%0.86477%0.77SS**  trans-128.4105.4146.7-87.8-79.4000109.6N542 I546N542-F544 PolarHBondContact O-N 3.39Å; F544-I546 PolarHBondContact O-N 3.35Å
545K25.7Very low27.4Very low187 Ų187141.9 Ų141.981%0.81378%0.778SS**  trans-58.3123.5170.4-70.9168.3171.6173.60108.9
546I33.5Very low27.2Very low173 Ų173138.6 Ų138.689%0.88777%0.768SS**  trans-124.6112.6144-57.1-179.2000107.1F544F544-I546 PolarHBondContact O-N 3.35Å
547K25.7Very low27.3Very low152 Ų152139.1 Ų139.166%0.66177%0.773SS**  trans-86.6134.8-178.5-149.6172.6173.5-164.30104.2
548F26.5Very low27.4Very low177 Ų177140.9 Ų140.978%0.77678%0.782SS**  -178.9154.877.5-91.6-82.8000111.6
549A29.6Very low27.5Very low89 Ų89143.7 Ų143.774%0.73678%0.784SS**  trans79.564.7159.500000118.4
550S24.1Very low27.6Very low118 Ų118142.6 Ų142.683%0.82578%0.779SS**  trans-66.8119.9136.9-54.80000108.8
551S29Very low27.4Very low123 Ų123146.6 Ų146.686%0.8679%0.787SS**  trans-110.3101.8155.5-70.80000107.8
552S25.3Very low27.4Very low89 Ų89145 Ų14562%0.62278%0.78SS**  trans-55.5169.1170.8-23.70000112.5
553T25.5Very low27.3Very low129 Ų129143.2 Ų143.279%0.79178%0.778SS**  trans69.7103.5143.855.10000118
554S27.4Very low27.5Very low107 Ų107142.4 Ų142.475%0.74878%0.781SS**  160.2126.896.452.30000109.3P556S554-P556 WeakPolarHBondContact O-CD 3.48Å
555L27.3Very low27.6Very low176 Ų176141.4 Ų141.492%0.92178%0.776SS**PPolyproline II helixtrans-62.1124.9160.6-75.1159000107.6
556P29Very low28.1Very low106 Ų106138.5 Ų138.569%0.68878%0.777SS**PPolyproline II helixtrans-87.8158.2155.713.46.8000109.4S554S554-P556 WeakPolarHBondContact O-CD 3.48Å
557P26.8Very low28.3Very low94 Ų94140.1 Ų140.161%0.6178%0.777SS**PPolyproline II helixtrans-79.4157.5-157.2-2.221.1000112.3F559P557-F559 HydrophobicContact CB-CE2 4.2Å; P557-F559 HydrophobicContact CG-CE2 3.87Å; P557-F559 PolarHBondContact O-N 3.48Å; P557-F559 VanDerWaalsContact O-N 3.17Å
558L27.6Very low29Very low177 Ų177142 Ų14293%0.92779%0.786SS**  trans-43.9121.4155.5-84.295.4000109.3
559F28.2Very low29.5Very low175 Ų175140.4 Ų140.477%0.76879%0.785SS**  trans-123.7145.9158.3-80.9-72.4000109.4P557P557-F559 HydrophobicContact CB-CE2 4.2Å; P557-F559 HydrophobicContact CG-CE2 3.87Å; P557-F559 PolarHBondContact O-N 3.48Å; P557-F559 VanDerWaalsContact O-N 3.17Å
560P26.7Very low29.8Very low106 Ų106147.5 Ų147.569%0.68879%0.793SS**  trans-80.5149.2-148.330.9-35000113N562P560-N562 PolarHBondContact O-N 3.2Å; P560-N562 VanDerWaalsContact O-N 3.15Å
561I26.8Very low30.4Very low165 Ų165149 Ų14985%0.84679%0.791SS**  trans-32.1112.1154.4-55.8155.4000109.5
562N26.5Very low30.7Very low142 Ų142147.3 Ų147.376%0.75978%0.784SS**  trans-161.3102.8153.3-100.1-24.7000112.2P560P560-N562 PolarHBondContact O-N 3.2Å; P560-N562 VanDerWaalsContact O-N 3.15Å
563S27.3Very low31.4Very low99 Ų99151.5 Ų151.569%0.69279%0.794SS**  58.176.3127.4-127.10000118.2
564F29.2Very low31.7Very low209 Ų209156 Ų15692%0.91780%0.798SS**  trans-92.298.4154.4-97.7-87.2000110
565K32.9Very low32.4Very low176 Ų176156.8 Ų156.877%0.76579%0.794SS**PPolyproline II helixtrans-61.3124.3167.6-64.7-179.4177.8179.90109.7K567K565-K567 PolarHBondContact O-N 2.96Å
566P35.8Very low33.2Very low126 Ų126158.2 Ų158.282%0.81879%0.787SS**PPolyproline II helixtrans-69.9120.8165.526.2-27.8000108.9
567K37.1Very low33.5Very low207 Ų207161.1 Ų161.190%0.979%0.785SS**PPolyproline II helixtrans-61.5132.1177.3-76.1-178.5175.41790110.6K565K565-K567 PolarHBondContact O-N 2.96Å
568K40.2Very low33.9Very low193 Ų193166.9 Ų166.984%0.83980%0.796SS**PPolyproline II helixtrans-53.4150.6172.3-70.7175.7172.5-1800112.7
569N36.6Very low34.1Very low143 Ų143167.8 Ų167.877%0.76580%0.795SS**  trans7092.1154.9-71.8-6.2000119
570W36Very low34.3Very low237 Ų237167.7 Ų167.790%0.89880%0.797SS**SBendtrans-116.97153.973.6-73.9000113
571L36.5Very low34.4Very low149 Ų149168.3 Ų168.378%0.7880%0.801SS**  trans-124.752.5-172.6-151.375.1000112.2
572A36.6Very low34.9Very low88 Ų88169 Ų16973%0.72780%0.801SS**  trans-129.271.1168.500000108.2
573Q39.7Very low35.1Very low178 Ų178168.5 Ų168.583%0.83280%0.803SS**  trans-148.912.7175.6-125.3175.414.900115.1
574Y31.5Very low35.4Very low222 Ų222169.4 Ų169.487%0.87181%0.805SS**  trans-133.179.9170.8-79-81.1000109.8
575D42.1Very low35.4Very low125 Ų125165 Ų16567%0.66880%0.795SS**  trans-82.9108.3164-168.4-3.5000108.1R577D575-R577 VanDerWaalsContact C-N 3.26Å; D575-R577 PolarHBondContact OD1-N 3.49Å
576W43.2Very low35.5Very low205 Ų205164.4 Ų164.478%0.77780%0.799SS**  trans-87.88.1-177.253.4-87.4000112.6
577R36Very low35.1Very low167 Ų167163.5 Ų163.563%0.6380%0.795SS**  trans-112.560.5-172.7-63.3-169.8176.5-163.81.9113.3D575D575-R577 VanDerWaalsContact C-N 3.26Å; D575-R577 PolarHBondContact OD1-N 3.49Å
578Y34.9Very low35.1Very low216 Ų216159.2 Ų159.285%0.84779%0.789SS**  trans-147.283.8161-97.4-82.3000111.1
579Q32.9Very low34.7Very low195 Ų195157.1 Ų157.191%0.91179%0.792SS**  trans-125.994.2151.5-93.2-175.1-4.900106.8
580Q32.9Very low34.6Very low174 Ų174156.3 Ų156.381%0.81379%0.793SS**  trans-145.8135.2145.6-84.1-127.6-20.100109
581P28.4Very low34.6Very low118 Ų118150.3 Ų150.377%0.76678%0.784SS**  trans-100111.4-168.934.2-22.6000110.4
582E36.1Very low34.3Very low180 Ų180150.1 Ų150.184%0.84178%0.784SS**  trans-132.3115.5164.8-72.4-166.4168.500111.8
583T31.2Very low34Very low131 Ų131150.1 Ų150.180%0.80478%0.775SS**  trans-47.7137.3162.446.50000111.8
584T34Very low33.6Very low119 Ų119148.2 Ų148.273%0.7377%0.771SS**  161.4115.8114.2-58.40000108.8
585T29.8Very low33.7Very low116 Ų116146 Ų14671%0.71277%0.768SS**  trans-8.5132150.944.90000116.5
586I34.6Very low33.1Very low164 Ų164144.3 Ų144.384%0.84177%0.766SS**  -179.6121.5109.5-78.6144.5000107.5
587S27.6Very low32.6Very low107 Ų107141.3 Ų141.375%0.74876%0.764SS**  trans-88.5-165.9174.5-50.30000110.4
588P35.6Very low32.6Very low117 Ų117141.9 Ų141.976%0.7677%0.771SS**  -115.5158.7-104.734-15.2000113.2
589T33.6Very low32.4Very low148 Ų148137.8 Ų137.891%0.90876%0.764SS**  trans-162.1116158.5-120000112.3
590T33.4Very low32.5Very low127 Ų127133.2 Ų133.278%0.77975%0.753SS**  trans-75.4-174.9150.449.10000108.5
591P36.1Very low32.6Very low111 Ų111131 Ų13172%0.72176%0.757SS**  cis-140.5178.6-2.543.1-24.3000115.4
592N30.8Very low32.8Very low144 Ų144128.4 Ų128.477%0.7775%0.752SS**  trans82139.9133.8-131.1-9.9000125.4
593T30.3Very low32.7Very low89 Ų89125.4 Ų125.455%0.54675%0.751SS.*  trans85.3104139.3-38.80000120.7
594N30.4Very low32.7Very low138 Ų138124.9 Ų124.974%0.73875%0.752SS**  15.5122.6127.8-52.3-37.2000116.9
595Q33.3Very low33.2Very low176 Ų176124.6 Ų124.682%0.82275%0.753SS**  172.6128.3114.4-94.4168.97000110.7
596S31Very low33.2Very low89 Ų89124.5 Ų124.562%0.62276%0.757SS**  67.5111.9125-178.60000120.2
597I32.1Very low33.1Very low142 Ų142121 Ų12173%0.72875%0.746SS**  68.9107.5124.7-55.7172.7000117.2
598F34.9Very low33.3Very low179 Ų179122.5 Ų122.579%0.78575%0.745SS**  trans60.2145140.6-82-99.2000121.8
599D32.3Very low33Very low129 Ų129123 Ų12369%0.6974%0.741SS**  trans83.795.8150.8-63.4-29.7000119.8
600S34.9Very low32.9Very low99 Ų99122.3 Ų122.369%0.69273%0.73SS**  65.4121.4109-62.10000118.6
601S33.9Very low32.7Very low128 Ų128120.2 Ų120.290%0.89573%0.726SS**  trans80.9139.3141.775.40000118
602G33.2Very low32.4Very low64 Ų64119.2 Ų119.266%0.6672%0.722SS**  trans119.584.8146.400000115.5
603S33.3Very low32.5Very low116 Ų116121.3 Ų121.381%0.81173%0.727SS**  58.9104.9122.6-52.40000119.6
604S31.3Very low32.7Very low120 Ų120122 Ų12284%0.83974%0.735SS**  53.6154.1114.1-73.50000122.7
605P44.2Very low32.8Very low114 Ų114122.7 Ų122.774%0.7474%0.736SS**  trans-111.1-157.1-139.543.6-34.4000113.5
606S30.7Very low33.1Very low113 Ų113120.5 Ų120.579%0.7973%0.726SS**  trans98141.5175.879.20000113
607S33.1Very low33.3Very low90 Ų90123.1 Ų123.163%0.62973%0.733SS**  cis-180161-0.941.20000107.9
608I30.5Very low33.5Very low139 Ų139121.1 Ų121.171%0.71373%0.727SS**  trans82.9124135.2-83.3163.8000120.7
609N30.7Very low33.5Very low128 Ų128122 Ų12268%0.68473%0.725SS**  trans67.9155.7138.7-75.9-3.2000120.9
610I30.3Very low33.7Very low133 Ų133122.2 Ų122.268%0.68272%0.722SS**  cis-173.6141.1-8.4-105.1166.6000104.1
611A29.7Very low33.6Very low84 Ų84124.4 Ų124.469%0.69472%0.724SS**  trans51.5167151.100000118.3
612S29.9Very low33.5Very low89 Ų89122.4 Ų122.462%0.62271%0.71SS**  cis-160.5164.917.2-690000107.5
613E31.6Very low33.5Very low188 Ų188126 Ų12688%0.87971%0.714SS**  trans68.8137.7148.1-71.2154.3-16700117.1
614S35.9Very low33.4Very low103 Ų103126.9 Ų126.972%0.7272%0.715SS**  cis-161.6137.726.556.10000108.5
615M32.7Very low33.3Very low153 Ų153126 Ų12675%0.75471%0.708SS**  49.6125.9105.6-54.2-109.9-71.700113.5
616E38.2Very low32.7Very low131 Ų131128.2 Ų128.261%0.61271%0.71SS**  cis-175.6158.643.7-147.586.6-117.600109.5
617D35.5Very low32.9Very low144 Ų144127.6 Ų127.677%0.7770%0.704SS**  trans63138.2150.9-74.8-10.5000120.9
618V36.2Very low33Very low99 Ų99133 Ų13360%0.672%0.716SS**  cis-165128.96.6129.10000107
619R34.8Very low32.9Very low197 Ų197133.9 Ų133.974%0.74372%0.722SS**  trans40.2128.9142.2-39.6176.7177.3-167-2.9118.6
620H36.8Very low33.2Very low135 Ų135137.2 Ų137.263%0.62573%0.732SS**  -173.8133.554.3-91.4-70.9000110
621I33.2Very low33.3Very low144 Ų144138 Ų13874%0.73874%0.736SS**  54123.8124-51.2176.4000116.3
622S32.7Very low33.6Very low86 Ų86140.5 Ų140.560%0.60174%0.743SS**  cis-177.3137.26.344.90000110.3
623N31.9Very low33.6Very low140 Ų140140.7 Ų140.775%0.74974%0.744SS**  63.6117.9126.5-56.5-11.5000120.5
624V31.3Very low33.9Very low135 Ų135139.3 Ų139.382%0.81874%0.743SS**  67.4136.862175.20000109.1
625S30.5Very low33.6Very low101 Ų101141.7 Ų141.771%0.70675%0.747SS**  cis175.1157-1.3162.30000104.8
626M29.9Very low33.7Very low160 Ų160146 Ų14679%0.78876%0.755SS**  trans-44.6-176.2155.6-82.7-117.4-58.400114.6
627P35.3Very low33.4Very low101 Ų101147 Ų14766%0.65676%0.764SS**  cis-136.6-166.9-20.624.90.3000112.6
628K34.9Very low33.5Very low203 Ų203146.6 Ų146.688%0.88377%0.767SS**  145.7124.5124.9-154.7164.7-168.9173.40114.7
629L29.1Very low33.4Very low158 Ų158148.9 Ų148.983%0.82778%0.776SS**  trans-70.4149.6174.1-78.4156.9000112.8
630H37.4Very low33.3Very low197 Ų197146 Ų14691%0.91278%0.78SS**  trans-157.1130.8144.9-116.8-149.7000111.9
631I31.7Very low33.3Very low149 Ų149144.8 Ų144.876%0.76478%0.784SS**  trans-77.8138.7174.6-63158.8000108.8
632V37Very low33.5Very low138 Ų138145.7 Ų145.784%0.83679%0.791SS**  trans-161.6126.1138.2173.70000109
633S29.2Very low33.6Very low93 Ų93150.1 Ų150.165%0.6580%0.802SS**  trans-67.5147.3169.6-45.20000111.9
634D38Very low33.9Very low158 Ų158147.2 Ų147.285%0.84581%0.805SS**  trans-165.1137137.6-96.8-27.1000113.8
635L30.5Very low34.2Very low153 Ų153147.6 Ų147.680%0.80180%0.802SS**  trans-60148.7173.4-77.269000111.8
636R34.9Very low34.6Very low244 Ų244152 Ų15292%0.92181%0.812SS**  179.3127.8115.8-99.5172.8-179.4178.21.9113.5
637N31.5Very low34.9Very low153 Ų153147.9 Ų147.982%0.81881%0.81SS**  trans-55.8146.4154.6-91.3-21.4000111
638T37.2Very low35.1Very low134 Ų134151 Ų15182%0.82282%0.82SS**  178.6116.6125.127.30000111.9
639N33.7Very low35.1Very low147 Ų147146.1 Ų146.179%0.78681%0.812SS**  trans16.9145.8138.8-64.5-19.4000122.6
640T33Very low35.5Very low136 Ų136144.7 Ų144.783%0.83481%0.81SS**  trans102.1131.4140.235.10000120.5
641P36.3Very low35.6Very low110 Ų110143.2 Ų143.271%0.71480%0.803SS**  trans-93.2157.5-174.639.4-32.1000111.4
642D37.5Very low35.9Very low164 Ų164144.8 Ų144.888%0.87781%0.807SS**  trans-142.4136.5168.3-132.1-17.2000113
643H34.7Very low36Very low178 Ų178142.6 Ų142.682%0.82480%0.803SS**  trans-84151.7-174.9-74.5-89.4000111.7
644G39.1Very low36.7Very low79 Ų79143.7 Ų143.781%0.81481%0.809SS**  trans-154.296.6170.800000112.3
645N36.3Very low36.6Very low144 Ų144143.4 Ų143.477%0.7781%0.807SS**  trans-53159.1177.6-73-40.7000115.3
646H39.2Very low36.8Very low194 Ų194143.1 Ų143.190%0.89881%0.806SS**  -178.4108.1126-87.5-59.3000110.7
647G36.9Very low36.9Very low73 Ų73143.3 Ų143.375%0.75381%0.806SS**  93.1136.1118.900000113.5
648L38.3Very low37.1Very low166 Ų166143.1 Ų143.187%0.86981%0.805SS**  cis-162.4145.817.8-82160.1000108.9
649S36.6Very low37.2Very low101 Ų101143.9 Ų143.971%0.70680%0.804SS**  trans44.4141.2139.1-42.70000119.8
650T37.6Very low37.3Very low128 Ų128140.8 Ų140.879%0.78579%0.794SS**  cis-176.314517.7-9.50000101.9
651E39.1Very low37.6Very low166 Ų166141.1 Ų141.178%0.77679%0.791SS**  169.9139.274.5-167167.9-165.700107.6
652E37.1Very low37.5Very low181 Ų181141.4 Ų141.485%0.84679%0.794SS**  trans59.4125.3155.8-77.1-175.2144.600124
653A39.5Very low37.3Very low92 Ų92139.8 Ų139.876%0.7678%0.784SS**  trans-106.8-143.517400000109.5
654P43Very low37.3Very low117 Ų117140.5 Ų140.576%0.7679%0.785SS**  -116.9166.4-105.835.5-18.4000112.8
655D36.3Very low37Very low151 Ų151141.5 Ų141.581%0.80777%0.771SS**  trans-163.6153.4141.7-128.2-22.1000116.4
656L36.3Very low36.9Very low148 Ų148144.4 Ų144.478%0.77577%0.773SS**  trans-66151.6-173.3-60.1150.7000114.1
657R36.6Very low36.6Very low247 Ų247138.7 Ų138.793%0.93276%0.755SS**  -175.4118.9129-99.9160.5-163.3-153.44.6113.2
658N35.9Very low36.2Very low149 Ų149140.2 Ų140.280%0.79775%0.754SS**  trans-64.5145.1155-73.2-18.7000109.9
659D38.2Very low36Very low151 Ų151142.4 Ų142.481%0.80775%0.752SS**  trans-164.8110.6138.6-91.3-31.3000108.4
660S36.5Very low35.9Very low82 Ų82142.6 Ų142.657%0.57375%0.753SS**  85125.873.8-54.60000113.4
661D38.3Very low35.6Very low142 Ų142141.8 Ų141.876%0.75975%0.753SS**  trans80.9129.6150.8-45.5-29.5000118.3
662C34.6Very low35.5Very low117 Ų117139.3 Ų139.379%0.79175%0.751SS**  cis-150.5128.229.2-58.10000108.3
663I33.1Very low35.3Very low129 Ų129135.4 Ų135.466%0.66274%0.744SS**  42.9116.576.5-52.5-176.8000115.1L665I663-L665 HydrophobicContact CG2-CD1 3.41Å; I663-L665 VanDerWaalsContact CG2-CD1 3.41Å
664F34.3Very low34.9Very low194 Ų194136.4 Ų136.485%0.85175%0.745SS**  172.3131.8127.9-100.9-87.1000107.4
665L34.1Very low34.5Very low100 Ų100142.2 Ų142.252%0.52475%0.752SS.*  cis171.7139.1-15.5-130.793.9000103.2I663I663-L665 HydrophobicContact CG2-CD1 3.41Å; I663-L665 VanDerWaalsContact CG2-CD1 3.41Å
666Y32.7Very low34.2Very low205 Ų205139.5 Ų139.580%0.80475%0.745SS**  trans70.4142.3143.8-80.2-129.1000118.4
667S33.2Very low34.1Very low74 Ų74137.5 Ų137.552%0.51774%0.743SS.*  cis-159.6133.18.3-100.10000105.7
668S29.2Very low33.9Very low105 Ų105130.5 Ų130.573%0.73473%0.732SS**  52.911982.3-57.90000113.2
669Y34.9Very low33.6Very low212 Ų212129.2 Ų129.283%0.83173%0.734SS**  trans161.892.2141.5-84.4-66.1000106
670S33.8Very low33.3Very low104 Ų104127.5 Ų127.573%0.72773%0.734SS**  105.1107.784-77.40000111
671S30.4Very low32.9Very low111 Ų111126.2 Ų126.278%0.77673%0.733SS**  trans-53.5165.1141.8-46.40000109.1
672P37.1Very low32.7Very low115 Ų115127.2 Ų127.275%0.74774%0.738SS**  cis-155.9-164.439.534.3-6.8000115.5
673S33.8Very low32.5Very low99 Ų99129 Ų12969%0.69274%0.74SS**  trans98.193.4145.7-59.70000119
674S30.7Very low33Very low112 Ų112128.4 Ų128.478%0.78375%0.745SS**  25.2116.8109.1-41.50000117.7
675R34.2Very low33.5Very low239 Ų239124 Ų12490%0.90274%0.736SS**  trans175.8104.7142.6-97164.9110.9-169.71.1106.9
676S30.2Very low33.7Very low94 Ų94128.2 Ų128.266%0.65775%0.753SS**  60.5138.888.171.70000114
677S34.6Very low33.6Very low106 Ų106123.4 Ų123.474%0.74175%0.748SS**  trans85.5100.9169.386.20000113.1
678S32.8Very low33.8Very low100 Ų100124.4 Ų124.470%0.69975%0.754SS**  83.312481.165.40000113
679C28.8Very low34.1Very low122 Ų122125.2 Ų125.282%0.82475%0.754SS**  trans69.3116146-58.30000119.1
680S30.9Very low34.1Very low116 Ų116120.3 Ų120.381%0.81175%0.746SS**  71.2119.8121.7-169.80000118.7
681G29.7Very low34.1Very low54 Ų54122.2 Ų122.256%0.55775%0.748SS**  65.1112.4125.900000116.9
682N32.4Very low34.3Very low164 Ų164121.9 Ų121.988%0.87775%0.747SS**  161.5129104.5-76.6-29.1000109.8
683N32.1Very low34.2Very low153 Ų153122.3 Ų122.382%0.81875%0.747SS**  trans-43.8164.9146.9-66.2-38.8000109.9
684P43.4Very low34.3Very low118 Ų118125.8 Ų125.877%0.76675%0.752SS**  cis-150.6-137.836.339-12.2000109.2
685P44.6Very low34.5Very low102 Ų102125.6 Ų125.666%0.66275%0.751SS**  cis-128168-17.528.5-4.4000113.4
686E36.9Very low34.5Very low188 Ų188123 Ų12388%0.87975%0.749SS**  161.4149.2108.2-85.8178.6178.400105.3
687C32.2Very low34.9Very low103 Ų103122.9 Ų122.970%0.69675%0.746SS**  cis-170.3138.3-2.9-179.70000104.1
688C36.1Very low34.7Very low96 Ų96126.6 Ų126.665%0.64975%0.752SS**  152.711684.8-80.50000105
689T35.2Very low34.8Very low122 Ų122130.7 Ų130.775%0.74876%0.76SS**  56.2132.8105.357.80000115.6
690T35.2Very low35Very low108 Ų108130.5 Ų130.566%0.66376%0.76SS**  cis177.61481920.10000110.5
691N33.9Very low34.9Very low144 Ų144128.8 Ų128.877%0.7776%0.761SS**  trans84.1122138.9-61.5-6.6000124.5
692S34.3Very low35Very low105 Ų105132 Ų13273%0.73478%0.775SS**  118.2111.6128.4-63.80000119.1
693T35.6Very low35Very low124 Ų124131.2 Ų131.276%0.76178%0.776SS**  trans34.1131.5134.730.90000119.1
694E35.8Very low34.7Very low172 Ų172132 Ų13280%0.80478%0.779SS**  179.2158.350.1-123.9168-172.500109.9
695S34.5Very low34.1Very low108 Ų108133.1 Ų133.176%0.75578%0.784SS**  trans62.2105.3160.157.60000120.2
696E35.9Very low33.5Very low183 Ų183137.7 Ų137.786%0.85579%0.793SS**  85.3146.388.2-98.5-145.1140.700115.4
697P38Very low33.3Very low93 Ų93133.9 Ų133.960%0.60479%0.788SS**  cis-141.3-177.9-48.338.3-18.7000114.7
698Q30.8Very low33Very low183 Ų183138.6 Ų138.686%0.85580%0.796SS**  trans77.3103.4155.6-70.3-176.9-19.700121.4
699Q33.4Very low32.7Very low186 Ų186142.1 Ų142.187%0.86981%0.808SS**  -173.9120.7113.3-104.7176.8-13.800112.5
700S34.3Very low32.3Very low118 Ų118140.8 Ų140.883%0.82580%0.804SS**  trans17.7133.4146.844.10000120.3
701G29.3Very low31.8Very low80 Ų80144.4 Ų144.483%0.82581%0.81SS**  cis131.671.114.800000111.4
702S30.8Very low31.6Very low122 Ų122141.7 Ų141.785%0.85380%0.801SS**  trans-157.7128.9166.755.30000111.1
703T31.6Very low31.2Very low147 Ų147146.6 Ų146.690%0.90281%0.809SS**  trans-132.212017429.50000109.2
704L27.4Very low30.9Very low169 Ų169149.3 Ų149.389%0.88581%0.811SS**  trans-102.2121.4169.6-87.7162.5000108.6
705T29.7Very low30.7Very low142 Ų142144.2 Ų144.287%0.87180%0.804SS**  trans-177103.5147.111.60000110.6
706K33.2Very low30.3Very low198 Ų198145.4 Ų145.486%0.86181%0.807SS**  trans-148111.8154.9-79.6-165.3-178.1172.60107.5
707S31.8Very low29.8Very low108 Ų108144.3 Ų144.376%0.75581%0.805SS**  86.5121.189.8-70.70000112.7L709S707-L709 PolarHBondContact O-N 2.96Å
708K27.1Very low29.3Very low202 Ų202144.5 Ų144.588%0.87881%0.809SS**  trans-41.1130.5161-74.7171.5169.9175.30111
709L29.5Very low29Very low170 Ų170143.8 Ų143.889%0.8981%0.81SS**  trans-146.4113.8146.3-116.5116.1000109.2S707S707-L709 PolarHBondContact O-N 2.96Å
710S26.2Very low29Very low95 Ų95141.1 Ų141.166%0.66481%0.806SS**  trans-71.1137.3167.6114.40000108.7
711F24.7Very low28.7Very low183 Ų183142.4 Ų142.480%0.80380%0.799SS**  trans42.9138.4161.4-60.8-74.8000118.8
712P29.5Very low29Very low88 Ų88148.2 Ų148.257%0.57180%0.802SS**  -130.5132.8100.835.5-28.7000113.4F714P712-F714 HydrophobicContact CB-CD2 3.09Å; P712-F714 HydrophobicContact CB-CE2 3.16Å; P712-F714 HydrophobicContact CB-CG 3.85Å; P712-F714 HydrophobicContact CB-CZ 4.02Å; P712-F714 HydrophobicContact CG-CD2 3.2Å; P712-F714 HydrophobicContact CG-CE2 3.45Å; P712-F714 VanDerWaalsContact CG-CE2 3.45Å; P712-F714 HydrophobicContact CG-CG 4.24Å; P712-F714 PolarHBondContact O-N 3Å
713K26.4Very low28.9Very low208 Ų208146.5 Ų146.590%0.90478%0.783SS**  trans-68.380.6146.8-163.6173.3-173.41750106.7
714F30.3Very low29.3Very low181 Ų181147.1 Ų147.179%0.79478%0.781SS**  trans-105.5127.9155.5-67.9-60.4000104.2P712P712-F714 HydrophobicContact CB-CD2 3.09Å; P712-F714 HydrophobicContact CB-CE2 3.16Å; P712-F714 HydrophobicContact CB-CG 3.85Å; P712-F714 HydrophobicContact CB-CZ 4.02Å; P712-F714 HydrophobicContact CG-CD2 3.2Å; P712-F714 HydrophobicContact CG-CE2 3.45Å; P712-F714 VanDerWaalsContact CG-CE2 3.45Å; P712-F714 HydrophobicContact CG-CG 4.24Å; P712-F714 PolarHBondContact O-N 3Å
715G29.9Very low29.5Very low64 Ų64147.9 Ų147.966%0.6677%0.773SS**  cis138.1118.432.100000102.8
716T26.1Very low29.8Very low133 Ų133151.9 Ų151.982%0.81677%0.774SS**  trans-46.3162.9158.7-400000109.1
717I25.4Very low29.7Very low160 Ų160149.2 Ų149.282%0.82176%0.764SS**  trans88.2121.1179.3-36.7143.9000109.9
718S27.7Very low29.8Very low98 Ų98151.8 Ų151.869%0.68577%0.77SS**  cis-158.3141.443.9-1570000111.3V720S718-V720 PolarHBondContact O-N 2.77Å
719L25.7Very low30Very low167 Ų167148.7 Ų148.787%0.87476%0.759SS**  trans-41.6130145.6-73.4144.9000109.3
720V32.4Very low30.3Very low131 Ų131145.9 Ų145.979%0.79475%0.753SS**  trans-131.7100.9152174.90000106.1S718 K722S718-V720 PolarHBondContact O-N 2.77Å; V720-K722 PolarHBondContact O-N 2.62Å
721E28.1Very low30.6Very low145 Ų145149.7 Ų149.768%0.67876%0.758SS**  trans-23.6125.4152-88.2154.2155.700112.1
722K35.8Very low31.1Very low202 Ų202148 Ų14888%0.87875%0.752SS**  trans-104.687.9134.4-86.1-167172.2-176.70107.1V720 D724V720-K722 PolarHBondContact O-N 2.62Å; K722-D724 PolarHBondContact O-N 3.04Å
723D29.1Very low31.3Very low86 Ų86151.5 Ų151.546%0.4676%0.758SS.*  trans-50.3111.8149.9-68.9-48.6000108.3Y725D723-Y725 HydrophobicContact CB-CD2 4.24Å
724D39.5Very low31.5Very low160 Ų160146 Ų14686%0.85675%0.746SS**  trans-132.284.4143.6-85.5-40.1000106K722 Y726K722-D724 PolarHBondContact O-N 3.04Å; D724-Y726 PolarHBondContact O-N 2.97Å
725Y31.6Very low31.8Very low184 Ų184144.1 Ų144.172%0.72275%0.745SS**  trans-43.7126.3157.6-84.7-110000109.9D723D723-Y725 HydrophobicContact CB-CD2 4.24Å
726Y36.6Very low31.7Very low227 Ų227148.8 Ų148.889%0.8975%0.754SS**  -159.9106.6125.7-112.7-78.2000108.6D724D724-Y726 PolarHBondContact O-N 2.97Å
727E31.1Very low32Very low141 Ų141150.1 Ų150.166%0.65975%0.751SS**  trans-53.8143.7166.4-62.7-159.1156.100111.3
728N34.4Very low32.2Very low163 Ų163150.7 Ų150.787%0.87275%0.748SS**  -151111.3127.8-95.1-32.7000109.9
729E30.6Very low32.4Very low137 Ų137154.8 Ų154.864%0.6475%0.749SS**  trans-48.3141.8170-52.3174.1110.500113.3
730S34.8Very low32.5Very low111 Ų111154.4 Ų154.478%0.77674%0.741SS**  -175.6100.1125.4140000108.3
731K33.3Very low32.6Very low175 Ų175153.1 Ų153.176%0.76173%0.733SS**  50109.8100-73.9170.7178.9156.30110.8
732E34.1Very low32.6Very low147 Ų147152 Ų15269%0.68773%0.732SS**  -163.3131.578.4-96.2-172.1130.100114
733K35.1Very low32.6Very low161 Ų161149.5 Ų149.570%0.773%0.728SS**  53.9104.3126.8-63.6172.3-173.2158.10117.8
734S30.7Very low32.6Very low92 Ų92149.5 Ų149.564%0.64374%0.735SS**  58.9110.682.276.30000114
735N35.1Very low32.4Very low143 Ų143150.7 Ų150.777%0.76573%0.733SS**  165.2105.5128.7-77.1-11.8000106.3
736N28.2Very low32.4Very low161 Ų161151 Ų15186%0.86174%0.741SS**  3187.692.8-79.8-10.5000112
737E33.1Very low32.3Very low161 Ų161149.6 Ų149.675%0.75274%0.74SS**  trans-155.3125.7134.6-127.7167.1-176.100113.3Y739E737-Y739 HydrophobicContact CB-CE2 4.44Å; E737-Y739 HydrophobicContact CG-CE2 4.44Å
738K28.8Very low32.4Very low172 Ų172153 Ų15375%0.74875%0.752SS**  trans-68.2119.2171.9178.9-172.1-173.2-172.20108.4F740K738-F740 HydrophobicContact CG-CD2 4.25Å
739Y32.3Very low32.5Very low184 Ų184148.7 Ų148.772%0.72275%0.746SS**  trans-125.789158-83.7-80.5000110E737 V741E737-Y739 HydrophobicContact CB-CE2 4.44Å; E737-Y739 HydrophobicContact CG-CE2 4.44Å; Y739-V741 HydrophobicContact CD1-CG2 4.46Å
740F27.6Very low32.6Very low159 Ų159151.2 Ų151.270%0.69775%0.754SS**  trans-59129.3142-90.5-102.5000107.6K738K738-F740 HydrophobicContact CG-CD2 4.25Å
741V34.4Very low32.6Very low104 Ų104152.2 Ų152.263%0.6375%0.751SS**  trans-136.988.4150.7-177.40000107.6Y739 N743Y739-V741 HydrophobicContact CD1-CG2 4.46Å; V741-N743 HydrophobicContact CG1-CB 4.4Å
742D29.2Very low32.6Very low123 Ų123152.9 Ų152.966%0.65876%0.757SS**  trans-49.8136.3140.2-79.3-48.7000108.6
743N34.4Very low32.5Very low148 Ų148149 Ų14979%0.79176%0.756SS**  trans-150.673.6151.5-94.1-23.9000109.1V741V741-N743 HydrophobicContact CG1-CB 4.4Å
744S30.3Very low32.5Very low87 Ų87147.6 Ų147.661%0.60876%0.761SS**  trans-64.9133.9132.9480000107.7
745F34.1Very low32.7Very low185 Ų185150.9 Ų150.981%0.81177%0.766SS**  trans171.6100.1139.7-102.2-74.8000110.3
746E31.4Very low32.6Very low189 Ų189149.8 Ų149.888%0.88376%0.76SS**  trans-61.8130.8147.8-74.6-178.4131.600109.2
747K36.4Very low33Very low199 Ų199150.8 Ų150.887%0.86576%0.757SS**  trans-163.4132.8142-119171.5-177.1175.20113.7
748K32.5Very low32.8Very low213 Ų213148 Ų14893%0.92675%0.751SS**  trans-59.9152.4177.4-64.5178172.6177.20114.9
749G36.7Very low32.9Very low71 Ų71149.3 Ų149.373%0.73276%0.757SS**  trans175.493.6150.700000109.9
750K32.3Very low32.6Very low190 Ų190144.7 Ų144.783%0.82675%0.752SS**  66.1131.384.3-94.7-167.5177.9-1760116.3
751N34.6Very low32.6Very low132 Ų132143.5 Ų143.571%0.70676%0.758SS**  trans81.3138.3155.7-645000115.3
752E33.9Very low32.4Very low189 Ų189143.7 Ų143.788%0.88376%0.764SS**  cis-160.8158.714.7-104.4153.7162.700104.2
753G31Very low32.3Very low65 Ų65143.7 Ų143.767%0.6777%0.768SS**  cis154.3170.123.400000107.2
754V36.5Very low32.2Very low133 Ų133144.2 Ų144.281%0.80677%0.771SS**  trans88.589.2172.1-164.20000114.8
755E33.7Very low32.2Very low161 Ų161146.9 Ų146.975%0.75278%0.778SS**  72.5135.185.4-76.5-172.4-155.500112.8
756N33.9Very low31.9Very low119 Ų119145.9 Ų145.964%0.63678%0.781SS**  cis-164142.317.8-98.4-39.9000110.6
757K35.7Very low31.9Very low182 Ų182140.1 Ų140.179%0.79177%0.773SS**  trans48.4117.5136.1-73.2174.5177.2170.50123.5
758T28.2Very low31.6Very low103 Ų103135 Ų13563%0.63277%0.767SS**  63.3120.9120.3-32.10000119.6
759F31.5Very low31.5Very low199 Ų199131.7 Ų131.787%0.87376%0.758SS**  177150.9113.1-101.3-78.1000112.6
760S27Very low31.2Very low88 Ų88135.6 Ų135.662%0.61576%0.762SS**  trans-86.5154.5-164.2-34.60000114.8
761T27.8Very low31.2Very low133 Ų133131.6 Ų131.682%0.81675%0.753SS**  trans60.4139.2141.649.50000122.6
762S28.4Very low31Very low108 Ų108131.1 Ų131.176%0.75576%0.755SS**  trans86.2113.3150.883.60000119.9
763V28.9Very low31Very low124 Ų124129.2 Ų129.275%0.75275%0.75SS**  47.1109.4129-168.80000116.3
764D32Very low31Very low158 Ų158133.1 Ų133.185%0.84576%0.755SS**  -176149.1121.4-94.8-32.2000112.3
765N29.4Very low30.6Very low143 Ų143130.7 Ų130.777%0.76574%0.744SS**  trans-68.3158.6175-81.7-43.4000112.8
766N28.8Very low30.5Very low164 Ų164129.5 Ų129.588%0.87774%0.743SS**  trans85127.3152.3-60-26000119.6
767G30.1Very low30.3Very low69 Ų69130.7 Ų130.771%0.71175%0.75SS**  trans144.396.3159.300000111.1
768A29.8Very low30.1Very low90 Ų90130.5 Ų130.574%0.74475%0.751SS**  78.8130.890.800000111.9
769I30.4Very low30.1Very low144 Ų144133.2 Ų133.274%0.73876%0.756SS**  cis-179.315425.7-107.8163.2000109
770L31.3Very low30.2Very low153 Ų153130.8 Ų130.880%0.80175%0.752SS**  trans77.3132.4157.5-113.469.2000119
771T32.6Very low30.3Very low106 Ų106133.2 Ų133.265%0.6576%0.758SS**  cis-164.8121.124-41.20000110.7
772T30.3Very low30.5Very low122 Ų122134.8 Ų134.875%0.74876%0.762SS**  trans53.7133.1137.1-200000119.5
773I34Very low30.4Very low150 Ų150135.1 Ų135.177%0.76976%0.764SS**  cis-155.312541.8-65.1161.1000111.6
774N30.4Very low30.3Very low146 Ų146135.7 Ų135.778%0.78176%0.762SS**  trans21.1147.7142.5-95.2-0.5000121.8
775S28.5Very low30Very low83 Ų83135.5 Ų135.558%0.5876%0.756SS**  cis174.4153.8-13.4-1050000109.6
776N32.1Very low30Very low135 Ų135133.2 Ų133.272%0.72275%0.752SS**  trans9495.7151.1-61.5-16.5000120.6
777N28.3Very low29.9Very low145 Ų145132.5 Ų132.578%0.77575%0.748SS**  38.6119.2111.4-63.8-18.6000118.8
778H31.5Very low29.9Very low178 Ų178136.4 Ų136.482%0.82475%0.751SS**  -168.3129.2109.5-126.2-74.7000112.1
779H29.3Very low29.9Very low160 Ų160138.3 Ų138.374%0.74175%0.749SS**  trans-66.3137.8158.6-115.5-55.4000108.4
780D33.1Very low29.7Very low148 Ų148137.7 Ų137.779%0.79175%0.747SS**  trans-159.7133.5137.8-90.2-32.3000111.8
781N28.9Very low29.5Very low138 Ų138137.3 Ų137.374%0.73875%0.746SS**  trans-68.4130176.7-67.6-50.2000110.4
782N31.7Very low29.3Very low167 Ų167142.5 Ų142.589%0.89375%0.753SS**  trans-154.5143153.2-94.8-31000110.3
783S27.7Very low29.1Very low114 Ų114146.3 Ų146.380%0.79775%0.754SS**  trans85.185.7170-1420000117.9
784L26.5Very low28.9Very low137 Ų137147.6 Ų147.672%0.71776%0.761SS**  trans-42.8152.8130.6-95.584.8000111.6
785E25.8Very low28.8Very low154 Ų154146 Ų14672%0.7276%0.761SS**  trans52.7104145.5-71.3170.6143.300119
786S28.1Very low28.9Very low95 Ų95147 Ų14766%0.66477%0.768SS**  trans-124125.5135.852.70000105.4
787N27.1Very low28.8Very low148 Ų148145.6 Ų145.679%0.79177%0.769SS**  cis43.161.923.8-77.8-26.2000112.8
788L31.3Very low28.9Very low151 Ų151146.8 Ų146.879%0.79177%0.774SS**  trans-127.994.9150.7-78.1161.6000103.3
789D28.7Very low28.8Very low130 Ų130142.8 Ų142.870%0.69577%0.766SS**  48.411059.1-117.3-4.5000113.5
790L26.5Very low28.9Very low132 Ų132139.9 Ų139.969%0.69176%0.763SS**  trans69.9116.6148.6-70.6147.8000119.8
791N27.9Very low28.8Very low145 Ų145138.1 Ų138.178%0.77576%0.763SS**  trans72.2135.1139.5-74.1-49.3000119.5
792R27.1Very low28.9Very low215 Ų215137.1 Ų137.181%0.81176%0.764SS**  trans103.7108.7139.8-160.8176.3-76.1-125.60.4116.1
793R26.4Very low28.9Very low202 Ų202135 Ų13576%0.76276%0.757SS**  trans33.3121.6141.2-65.8168.470.8178.52.8116.5
794L30.3Very low29.1Very low177 Ų177136.7 Ų136.793%0.92775%0.754SS**  trans-142.7104.3136-76-179.1000110.9
795S27.5Very low29.1Very low112 Ų112138.3 Ų138.378%0.78376%0.764SS**  trans-64.8136148.6-440000108.1
796S31.2Very low29.6Very low103 Ų103136.6 Ų136.672%0.7276%0.758SS**  trans-121.9111.2166.3460000106.9
797S29.2Very low29.8Very low107 Ų107140 Ų14075%0.74876%0.764SS**  99.1127.9102.2-60.30000108.8
798I30.9Very low30Very low169 Ų169140.5 Ų140.587%0.86777%0.765SS**  -161.4149.986.7-65.1133.1000110.4
799S29.9Very low30.2Very low94 Ų94142.3 Ų142.366%0.65777%0.769SS**  trans9093.7155.91700000119
800S30.6Very low30.5Very low99 Ų99144.1 Ų144.169%0.69277%0.773SS**  60.411791.553.90000114.3
801S31.4Very low31.1Very low112 Ų112144 Ų14478%0.78378%0.78SS**  -172.8165.767.8-73.60000112.4
802P31.6Very low31.3Very low116 Ų116143.1 Ų143.175%0.75378%0.775SS**  trans-99.5173.4-162.238.5-31.4000114.2
803T31.3Very low31.8Very low123 Ų123140.7 Ų140.776%0.75578%0.777SS**  154.5117.7125.8-57.80000113.3
804M31.1Very low32.2Very low149 Ų149137.9 Ų137.973%0.73477%0.773SS**  trans56117146.2-55.3-88.5-82.100121.5I806M804-I806 HydrophobicContact CE-CD1 3.73Å; M804-I806 HydrophobicContact CE-CG1 4.49Å
805N27.9Very low32.6Very low171 Ų171137.1 Ų137.191%0.91476%0.762SS**  trans-101.4119.7155.4-79.4-14.9000109.1
806I35.2Very low32.9Very low119 Ų119139.7 Ų139.761%0.6176%0.762SS**  trans-146135.7166.4-64.8-174.5000109.5M804M804-I806 HydrophobicContact CE-CD1 3.73Å; M804-I806 HydrophobicContact CE-CG1 4.49Å
807E33.2Very low33Very low167 Ų167139.1 Ų139.178%0.7876%0.757SS**  trans65.3110.4159.4-73157-171.300119.1
808I31.6Very low33.1Very low158 Ų158140.3 Ų140.381%0.8176%0.761SS**  56.3108.782.7-55.2171.3000113.3
809E35.4Very low33.3Very low188 Ų188135.6 Ų135.688%0.87975%0.753SS**  trans-174126.5130.3-109.4177.716700110.5
810E33.3Very low33.2Very low169 Ų169138 Ų13879%0.7976%0.759SS**  trans-68.8164.4166.2-81.4-171.9152.900111.2
811P39.5Very low33.4Very low128 Ų128142.6 Ų142.683%0.83177%0.767SS**  -136.2141.711934-21.1000114.4
812I33.6Very low33.4Very low128 Ų128141.4 Ų141.466%0.65676%0.758SS**  trans-54142.4172.4-61.3151.9000111.9E814I812-E814 HydrophobicContact CG2-CG 4.17Å
813D36.6Very low33.6Very low163 Ų163142.5 Ų142.587%0.87276%0.758SS**  trans-147.3133.9132.4-118.7-22000112.7
814E34.8Very low33.8Very low143 Ų143143.8 Ų143.867%0.66876%0.76SS**  trans-73.7153.8-166.5-60.7172.9150.400113.3I812I812-E814 HydrophobicContact CG2-CG 4.17Å
815K39.1Very low34Very low161 Ų161139.6 Ų139.670%0.776%0.755SS**  156.6121.5108.9-82.3-164.5175.5-178.60112.5
816H33.7Very low34.3Very low167 Ų167136.2 Ų136.277%0.77375%0.745SS**  trans55.9136.4132.4-66.4-68.4000118.3
817S33.2Very low34.3Very low90 Ų90135.5 Ų135.563%0.62974%0.742SS**  cis-175.6139.213.9-153.80000107.2
818T30.9Very low34.5Very low133 Ų133137 Ų13782%0.81674%0.743SS**  trans37.9131.5135.553.40000122
819G34.5Very low34.5Very low69 Ų69134.1 Ų134.171%0.71174%0.736SS**  trans144.874.9156.200000110.3
820D29Very low34.6Very low145 Ų145131.9 Ų131.978%0.77573%0.73SS**  34.9116.189.7-75.3-22.4000113.5
821F35.1Very low34.6Very low195 Ų195130.5 Ų130.586%0.85573%0.728SS**  trans172.398.5133.5-90.2-69.4000107.2
822S31.3Very low34.2Very low87 Ų87129 Ų12961%0.60872%0.72SS**  76.2139.879.6-57.50000114.6
823N34.8Very low34.3Very low139 Ų139129.3 Ų129.374%0.74373%0.728SS**  trans78.1138.6157.7-66.4-14.3000116
824N36.7Very low34Very low150 Ų150128.5 Ų128.580%0.80272%0.722SS**  cis-176150.23.2-97.5-23.2000102.3
825G34.8Very low33.6Very low62 Ų62126.6 Ų126.664%0.63973%0.725SS**  cis169.1145.98.800000107.8
826S33.2Very low33.3Very low100 Ų100124 Ų12470%0.69973%0.727SS**  trans63.9117.7136.898.90000118.6
827N36.4Very low33Very low103 Ų103121.8 Ų121.855%0.55173%0.725SS**  167.2119.584.8-97-20.6000115.2
828Y35.6Very low32.8Very low200 Ų200124.4 Ų124.478%0.78473%0.73SS**  trans68137.1152.8-40.8-62.3000118.2
829S33.5Very low32.9Very low96 Ų96125.5 Ų125.567%0.67173%0.728SS**  cis-167.7138.110.5-1470000111
830L36.3Very low32.7Very low142 Ų142128.5 Ų128.574%0.74373%0.728SS**  trans73.1113.6142.3-66.7162.9000123
831D34Very low33Very low140 Ų140130.1 Ų130.175%0.74973%0.728SS**  trans73.8105138.9-68.7-23.9000120.2
832S31.2Very low32.7Very low97 Ų97127.8 Ų127.868%0.67872%0.724SS**  75.911669.8-164.20000109.9
833T35Very low32.8Very low133 Ų133131.8 Ų131.882%0.81673%0.733SS**  -164.7140.560.7-45.40000110.7
834I29.6Very low32.6Very low146 Ų146131.3 Ų131.375%0.74973%0.73SS**  trans-86.9153.2-178-83.3168000111.3
835S27.6Very low32.3Very low103 Ų103128.8 Ų128.872%0.7272%0.723SS**  trans40.1134.4148.3-59.10000122.1
836S32.3Very low32Very low108 Ų108130 Ų13076%0.75572%0.722SS**  170.1118.1104.338.70000107.6
837V27.9Very low31.9Very low119 Ų119132.4 Ų132.472%0.72173%0.726SS**  61.7123.174.5176.80000111.4
838I29Very low31.8Very low146 Ų146134.6 Ų134.675%0.74974%0.738SS**  trans98.5114.8151.4-79.6164.3000119.3
839M33.2Very low31.4Very low156 Ų156132.6 Ų132.677%0.76874%0.739SS**  trans85.9107.9142.5-60.8-81.1-123.500118.2
840N29.6Very low31.4Very low131 Ų131136 Ų13670%0.70174%0.744SS**  85.6135.270-162.914.8000112.4
841K35.5Very low31.1Very low180 Ų180135.3 Ų135.378%0.78374%0.742SS**  trans95.198.9176.4-57.2174.8179.9178.30114.1
842N29.4Very low31Very low146 Ų146134.6 Ų134.678%0.78175%0.748SS**  69.3134.380.2-93.110.7000113.1
843E32.4Very low31.1Very low170 Ų170138.6 Ų138.679%0.79476%0.756SS**  trans78.9144162.9-62.6176.9-178.500116.4
844I32.4Very low30.8Very low130 Ų130139.9 Ų139.967%0.66776%0.756SS**  cis-169.4139.2-11.6-108.3162000102
845S28.9Very low31Very low96 Ų96140.7 Ų140.767%0.67176%0.756SS**  trans51.4149.715274.70000123.1
846S29.9Very low31.2Very low88 Ų88142.7 Ų142.762%0.61576%0.759SS**  trans81.5111.3139.264.60000117.9
847L29.5Very low31.2Very low150 Ų150145.7 Ų145.779%0.78577%0.767SS**  55.7103.8129-75.8122.1000115
848D35.1Very low31.5Very low150 Ų150147 Ų14780%0.80277%0.769SS**  -172.2123.195.7-88.1-33.6000110.9E850D848-E850 PolarHBondContact O-N 3.36Å
849I28.4Very low31.7Very low157 Ų157145.8 Ų145.881%0.80576%0.764SS**  trans-65.1117.4163.4-64.5161.9000105.9
850E33Very low31.7Very low167 Ų167144.1 Ų144.178%0.7876%0.759SS**  trans-169.4110.6133.4-112.6-175.5143.600113D848D848-E850 PolarHBondContact O-N 3.36Å
851N29.2Very low32Very low128 Ų128143.7 Ų143.768%0.68476%0.756SS**  36.7116.9121.9-65.2-24.9000118.2
852S33.2Very low31.9Very low126 Ų126141.2 Ų141.288%0.88175%0.752SS**  trans-15279.8139.1-74.40000109.6
853H31.4Very low32.2Very low181 Ų181139.4 Ų139.484%0.83875%0.746SS**PPolyproline II helixtrans-51.3136.6167.3-152.221.9000110.6Q855H853-Q855 PolarHBondContact O-N 3.46Å; H853-Q855 VanDerWaalsContact O-N 3.16Å
854I29.9Very low32.3Very low159 Ų159137.8 Ų137.882%0.81574%0.743SS**PPolyproline II helixtrans-57.9119169.8-68.8172.5000108.5N856I854-N856 PolarHBondContact O-N 2.98Å
855Q33.4Very low32.4Very low164 Ų164139 Ų13977%0.76675%0.751SS**PPolyproline II helixtrans-49.7125.9166.5-70.5174.5-17.300110.5H853H853-Q855 PolarHBondContact O-N 3.46Å; H853-Q855 VanDerWaalsContact O-N 3.16Å
856N32Very low32.5Very low145 Ų145144.3 Ų144.378%0.77576%0.762SS**  174.8103.694.3-108.3-27000108.8I854I854-N856 PolarHBondContact O-N 2.98Å
857N32.4Very low32.7Very low171 Ų171145.6 Ų145.691%0.91477%0.771SS**  trans-148.8121.3149.5-114.5-10.5000111.3
858N34Very low32.8Very low145 Ų145147.1 Ų147.178%0.77577%0.771SS**  trans-73.2129.6173-110.9-22.3000110
859N33.4Very low32.7Very low121 Ų121146.1 Ų146.165%0.64777%0.766SS**  trans66.2116.5136.9-79-16.7000121.4
860N33.7Very low32.8Very low121 Ų121147.1 Ų147.165%0.64777%0.767SS**  69.7134.7122.7-68.4-10.9000117.4
861N35.4Very low32.6Very low122 Ų122145.9 Ų145.965%0.65277%0.77SS**  cis-169.7146.87.3-114.7-19.9000108.6
862N33.8Very low32.6Very low128 Ų128143.1 Ų143.168%0.68477%0.772SS**  trans74.6115.5138.6-86.6-8.3000123.7
863T34.8Very low32.7Very low108 Ų108147.1 Ų147.166%0.66377%0.774SS**  74.2132124.460.10000118.1
864N34.1Very low32.5Very low137 Ų137148 Ų14873%0.73378%0.775SS**  cis-158.8142.917.3-91.7-29.4000110.6
865N34.2Very low32.5Very low155 Ų155146.6 Ų146.683%0.82978%0.778SS**SBendtrans6094.8152.4-64.6-15.8000121.1
866K32Very low32.2Very low207 Ų207143.4 Ų143.490%0.977%0.77SS**SBendtrans58.379.9154.6-84.7-179.6172.4177.20116.7K868K866-K868 PolarHBondContact O-N 2.9Å
867S33.1Very low32.1Very low116 Ų116144.3 Ų144.381%0.81177%0.773SS**  trans-32.9111.6173.450.20000113.9
868K33Very low32Very low181 Ų181139.9 Ų139.979%0.78776%0.76SS**  68.810470.5-77.1-170.9173.4177.40114K866K866-K868 PolarHBondContact O-N 2.9Å
869D31.6Very low31.7Very low130 Ų130142.4 Ų142.470%0.69577%0.767SS**  52.6113.8112.1-57.5-20.8000117.3
870E30.5Very low31.5Very low178 Ų178145.8 Ų145.883%0.83278%0.776SS**  46.5149.3117.9-67.9-165.814100119.9
871V30.5Very low31.2Very low140 Ų140144.5 Ų144.585%0.84878%0.777SS**  trans9587.9162.8-163.10000115.1
872G28.7Very low30.9Very low70 Ų70147.6 Ų147.672%0.72279%0.787SS**  84.782.1109.700000116.5
873K34.4Very low30.6Very low210 Ų210149.7 Ų149.791%0.91379%0.793SS**  trans-127.9100147.2-72.1-168.2179.5179.60110.3C875K873-C875 PolarHBondContact O-N 3.48Å
874K27.6Very low30.2Very low199 Ų199152.7 Ų152.787%0.86580%0.799SS**  trans-34114.1160.2-79.9171.1167.7175.80111
875C29.3Very low29.9Very low131 Ų131153.3 Ų153.389%0.88580%0.798SS**  trans-111.5113.1137.8-164.10000106.6K873K873-C875 PolarHBondContact O-N 3.48Å
876T26.8Very low29.5Very low97 Ų97152.1 Ų152.160%0.59579%0.79SS**  trans-84.4163.8-174.4-49.30000108.7
877I31.8Very low29.4Very low164 Ų164149.2 Ų149.284%0.84178%0.779SS**  trans101.6124.2161.7-50156.1000112.9
878A29.4Very low29.2Very low78 Ų78149 Ų14965%0.64577%0.769SS**  cis-170.7133.7-23.300000104.8K880A878-K880 PolarHBondContact O-N 2.97Å
879Q27.7Very low29.2Very low197 Ų197149.8 Ų149.892%0.92177%0.773SS**  trans-50.5130.7148.3-80.8174.3-59.600108.5
880K29.5Very low29Very low192 Ų192149.8 Ų149.884%0.83577%0.773SS**  trans-165.1108.2149.8-108.7169.3-179.2-174.50107A878A878-K880 PolarHBondContact O-N 2.97Å
881S27.8Very low28.9Very low94 Ų94148.1 Ų148.166%0.65777%0.77SS**  74.2114.686.5-170.10000110.7Q883S881-Q883 PolarHBondContact O-N 3.46Å
882Q27.6Very low29.2Very low187 Ų187150.2 Ų150.287%0.87477%0.77SS**  trans-37.5121.7147.5-68.3172.4-1700109.2
883Q27.9Very low29.2Very low173 Ų173154.4 Ų154.481%0.80877%0.771SS**  trans-175.4114.1150.2-112.5171.9-9.500111.8S881S881-Q883 PolarHBondContact O-N 3.46Å
884H26.7Very low29.2Very low171 Ų171152.5 Ų152.579%0.79277%0.765SS**  trans6.3120.1138.6-73.4-92.7000118.9
885H27.5Very low29.4Very low150 Ų150150 Ų15069%0.69476%0.756SS**  trans-168.8106136.8-134.653.3000106.9
886I27.2Very low29.5Very low130 Ų130152.2 Ų152.267%0.66775%0.753SS**  38.6104.378.1-47.4178.7000111.2
887Q29.2Very low29.5Very low145 Ų145155.4 Ų155.468%0.67876%0.761SS**  172.6130.3123.8-98.2177.1100111.8
888N28.1Very low29.5Very low111 Ų111155 Ų15559%0.59476%0.756SS**  trans66.1121.9148.3-58.8-27.7000115.6
889F32.6Very low29.4Very low198 Ų198158.5 Ų158.587%0.86876%0.758SS**  -145127.853.3-91.8-94.8000112.2
890N27.4Very low29.5Very low130 Ų130156.1 Ų156.170%0.69575%0.751SS**  trans-44141.2154.7-72.4-32000111.1
891N29.7Very low29.4Very low143 Ų143151.2 Ų151.277%0.76574%0.737SS**  174.2145.7106.5-87.4-33.2000111.2
892Q36.2Very low29.3Very low184 Ų184154.5 Ų154.586%0.8675%0.747SS**  trans82.484.3168.4-51.3-167.5-14.900114.7
893H29.5Very low29.4Very low159 Ų159148.7 Ų148.774%0.73674%0.738SS**  54.7101.955-92.2-75.5000114.8
894H34.3Very low29.3Very low170 Ų170148.7 Ų148.779%0.78774%0.74SS**  175104114.1-98.3-26.4000110
895H30.7Very low29.5Very low145 Ų145147.7 Ų147.767%0.67174%0.74SS**  62.8105.696.9-89.7-15.5000115.5
896Q31.7Very low29.6Very low179 Ų179148 Ų14884%0.83675%0.747SS**  -154.2100.3118-110178.528.100110.4
897Q26.2Very low29.7Very low163 Ų163146 Ų14676%0.76275%0.75SS**  trans-83.8129.3149-86.9174.8-1.400107.1
898Q32.8Very low29.7Very low156 Ų156147.8 Ų147.873%0.72976%0.758SS**  trans-142.7100.5150.9-68.8-170.7-2.700103.7
899H27.1Very low30Very low151 Ų151149.6 Ų149.670%0.69977%0.768SS**  45.9121.269.6-109.3-73.6000112.5
900I30Very low29.9Very low148 Ų148145.4 Ų145.476%0.75976%0.759SS**  trans148.188.9150.6-71.9151.7000106
901T26.9Very low30Very low89 Ų89146.4 Ų146.455%0.54676%0.764SS.*  55.5121.572.669.40000115.7
902N26.6Very low30.1Very low162 Ų162145.4 Ų145.487%0.86675%0.754SS**  trans91.2136.1141.6-58.2-13.2000120.4
903G28.8Very low29.7Very low66 Ų66142.9 Ų142.968%0.6875%0.746SS**  trans119.370.1169.200000111.3
904M26.7Very low29.9Very low173 Ų173141.6 Ų141.685%0.85275%0.749SS**  34.9109.381.7-76.2173.873.400111.8
905N31.1Very low29.5Very low149 Ų149146.1 Ų146.180%0.79776%0.76SS**  trans17896.3131.6-79.6-20.5000109
906D28.1Very low29.6Very low156 Ų156143.9 Ų143.983%0.83476%0.761SS**  46.1148.3123.9-65-22000123.7
907A30.7Very low29.3Very low89 Ų89143.9 Ų143.974%0.73677%0.765SS**  trans84.794.5157.500000115.5
908E29.2Very low29.5Very low183 Ų183146.6 Ų146.686%0.85577%0.769SS**  51.3106.184.6-71-156.6167.200112.6
909D32.7Very low29.5Very low148 Ų148148.2 Ų148.279%0.79177%0.773SS**  -172.9108.2120.7-97.7-36.9000112.8
910T32.3Very low29.6Very low111 Ų111151.4 Ų151.468%0.68178%0.779SS**  71.9110.9119.8-46.90000120.5
911L29.5Very low29.5Very low151 Ų151150.7 Ų150.779%0.79178%0.781SS**  trans-43145162.9-72.1114000114.2
912H30.7Very low29.7Very low121 Ų121151.5 Ų151.556%0.5679%0.791SS**  -169.4141.3118.7-110.7-78.1000114.1D444D444-H912 IonicContact OD1-CD2 2.62Å; D444-H912 PolarHBondContact OD1-CD2 3.32Å; D444-H912 IonicContact OD1-CG 2.9Å; D444-H912 IonicContact OD2-CD2 2.98Å; D444-H912 PolarHBondContact OD2-CD2 3.49Å; D444-H912 IonicContact OD2-CE1 3.97Å; D444-H912 IonicContact OD2-CG 3.47Å; D444-H912 IonicContact OD2-NE2 3.1Å; D444-H912 PolarHBondContact OD2-NE2 2.92Å; D444-H912 VanDerWaalsContact OD2-NE2 3.1Å
913N29.1Very low29.7Very low131 Ų131146.9 Ų146.970%0.70177%0.771SS**  trans63.898.9151.6-60.1-24.4000120.6
914V32.5Very low29.8Very low132 Ų132149.8 Ų149.880%0.877%0.771SS**  -158108.2114.4176.60000108.5S916V914-S916 PolarHBondContact O-N 3.14Å
915W26.9Very low30Very low265 Ų265147 Ų147100%1.00476%0.763SS**  trans-62.4109.5163.9-97.5-35.2000109.6
916S31.6Very low29.9Very low99 Ų99143.5 Ų143.569%0.69275%0.751SS**  trans-129.8117.8160.7-80.50000108.2V914 R918V914-S916 PolarHBondContact O-N 3.14Å; S916-R918 VanDerWaalsContact C-N 3.32Å; S916-R918 PolarHBondContact O-N 2.93Å
917L26.8Very low29.9Very low179 Ų179142.1 Ų142.194%0.93775%0.75SS**  trans-56.689.3178.3-85.695.9000110.6K919L917-K919 PolarHBondContact O-N 3.1Å
918R30.2Very low29.9Very low220 Ų220148.9 Ų148.983%0.8376%0.757SS**  trans-84.4100.6162.7-167.6173.5-72.4-159-0.8107.3S916 R920S916-R918 VanDerWaalsContact C-N 3.32Å; S916-R918 PolarHBondContact O-N 2.93Å; R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 3.12Å
919K31.5Very low30Very low190 Ų190144.2 Ų144.283%0.82675%0.745SS**  trans-55.396167.4-77.3-161.1177.1-174.80109L917 V921L917-K919 PolarHBondContact O-N 3.1Å; K919-V921 PolarHBondContact O-N 3.08Å
920R30.3Very low29.7Very low217 Ų217143 Ų14382%0.81974%0.743SS**  trans-79105.6163.4-64.5-172.2-151.4153.15.2106.7R918 S922R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 3.12Å; R920-S922 PolarHBondContact O-N 3.31Å
921V27.8Very low29.7Very low134 Ų134145.8 Ų145.881%0.81275%0.753SS**  trans-69.784.5165.9-173.80000106.1K919 S923K919-V921 PolarHBondContact O-N 3.08Å; V921-S923 VanDerWaalsContact C-N 3.33Å; V921-S923 PolarHBondContact O-N 3.48Å
922S30Very low30Very low106 Ų106147 Ų14774%0.74175%0.752SS**  trans-79.990.1165.2-71.60000107.3R920 D924R920-S922 PolarHBondContact O-N 3.31Å; S922-D924 PolarHBondContact O-N 3.37Å
923S28.2Very low30.1Very low65 Ų65152.2 Ų152.246%0.45577%0.766SS.*  trans-57.1107.2146.9510000107V921V921-S923 VanDerWaalsContact C-N 3.33Å; V921-S923 PolarHBondContact O-N 3.48Å
924D30.4Very low30.1Very low127 Ų127151.4 Ų151.468%0.67977%0.77SS**  trans172.3131.2139.4-81.6-23.4000109.5S922S922-D924 PolarHBondContact O-N 3.37Å
925V31.1Very low30.1Very low113 Ų113155.8 Ų155.869%0.68577%0.773SS**  trans81.9100.2168.5-160.60000116.7
926S27.9Very low30.2Very low77 Ų77149 Ų14954%0.53877%0.766SS.*  trans-45.8132.2162.8-1710000111.9W928S926-W928 PolarHBondContact O-N 3.46Å
927P29Very low30.1Very low126 Ų126149.4 Ų149.482%0.81876%0.764SS**THydrogen-bonded Turntrans-69.611-179.9-15.929.2000115.5
928W30.8Very low30.2Very low231 Ų231148.2 Ų148.288%0.87576%0.757SS**THydrogen-bonded Turntrans-114.713.7-172-80.369.2000115.6S926S926-W928 PolarHBondContact O-N 3.46Å
929S30.1Very low30.2Very low86 Ų86144.2 Ų144.260%0.60176%0.758SS**SBendtrans-143.643.4-175.772.60000116.8
930T28.1Very low30.1Very low122 Ų122139.7 Ų139.775%0.74875%0.75SS**  trans-152.179.8165.148.10000113.7
931L30.6Very low29.8Very low170 Ų170136 Ų13689%0.8975%0.752SS**  trans-157.965146-159.971.1000111.6
932K35.8Very low29.8Very low177 Ų177134.5 Ų134.577%0.7775%0.747SS**  trans-122.982.1156.3-79.7-159.6178.4-176.10108.8
933R33.6Very low29.7Very low230 Ų230137.3 Ų137.387%0.86875%0.753SS**  trans-143.9102.1158.3-101.8-178.6-176.9-179.20.5109.4
934S29.8Very low29.8Very low113 Ų113139 Ų13979%0.7977%0.765SS**  trans48.296.9130.3-39.30000117.9
935R31.7Very low30Very low225 Ų225140.1 Ų140.185%0.84977%0.771SS**  trans-134.2105138.4-66.6-172.585.2179.55108V937R935-V937 PolarHBondContact O-N 3.25Å
936S28.3Very low30Very low123 Ų123141.7 Ų141.786%0.8678%0.775SS**  trans-63.4122.5150.257.90000106.5
937V30.9Very low30.3Very low106 Ų106147 Ų14764%0.64279%0.789SS**  trans-143.3119.9155.6-177.90000106.4R935R935-V937 PolarHBondContact O-N 3.25Å
938L27.5Very low30.4Very low154 Ų154147.5 Ų147.581%0.80679%0.789SS**  trans-39.2128.7165.3-65.7129.7000112.3
939T30.6Very low30.4Very low136 Ų136141.2 Ų141.283%0.83478%0.78SS**  trans-147.487.6141.250.60000108
940S28.8Very low30.3Very low96 Ų96143 Ų14367%0.67179%0.788SS**  trans-48132.6154.538.30000110.6S942S940-S942 PolarHBondContact O-N 3.27Å
941T25.8Very low30.4Very low140 Ų140143.7 Ų143.786%0.85979%0.787SS**  trans-4105.4147.352.40000115.1
942S26.9Very low30.2Very low101 Ų101141.3 Ų141.371%0.70678%0.78SS**  trans-164.4154.1138.275.60000109.8S940S940-S942 PolarHBondContact O-N 3.27Å
943L28.7Very low30Very low166 Ų166139.2 Ų139.287%0.86978%0.781SS**  trans90.859.3169.9-56.6142.6000115.4
944S29.1Very low29.8Very low100 Ų100133.2 Ų133.270%0.69978%0.775SS**  trans-74.7145.9133.464.90000109.9
945N34.6Very low30.1Very low150 Ų150132.6 Ų132.680%0.80277%0.77SS**  trans82.990.2159-60.6-3.9000117.5
946D32.2Very low30Very low147 Ų147128.8 Ų128.879%0.78677%0.767SS**  -24.2133.9127.3-85-41.5000114.9
947K32.8Very low30.4Very low187 Ų187130.2 Ų130.281%0.81376%0.76SS**  trans64109.4151.4-60.1-176.5-178.9-176.20117.5
948V31.3Very low30.6Very low138 Ų138133.2 Ų133.284%0.83677%0.765SS**  163.1122.3101.4166.90000108.2
949S30.4Very low30.7Very low98 Ų98130.8 Ų130.869%0.68576%0.759SS**  trans-72.3148.3173.6-60.70000112.7
950T27.9Very low30.9Very low123 Ų123128.7 Ų128.776%0.75575%0.751SS**  trans78.2121.7143.351.50000121.6
951N30.1Very low31Very low137 Ų137132.5 Ų132.573%0.73376%0.758SS**  trans98.694.1134.7-69.6-1.3000119.9
952T27.5Very low31.4Very low120 Ų120133.8 Ų133.874%0.73675%0.754SS**  48126.3117.5560000119.7
953V30.9Very low31.7Very low133 Ų133133.6 Ų133.681%0.80675%0.748SS**  161.9108.1123.9157.90000106.2
954S29.2Very low32Very low104 Ų104135.4 Ų135.473%0.72775%0.745SS**  70.9133.4103.1-140.90000111.7
955S35.9Very low32.2Very low100 Ų100137.9 Ų137.970%0.69975%0.746SS**  cis-177.1138.925.49.70000107.4
956N31.5Very low32.1Very low146 Ų146137.1 Ų137.178%0.78174%0.741SS**  52.9118.4125.3-102.626.9000120.3
957E36.7Very low32.1Very low153 Ų153136.1 Ų136.172%0.71574%0.735SS**  165.9129.1101.1-96.1179.6171.200116.1
958F34.9Very low32.1Very low168 Ų168133.8 Ų133.874%0.73773%0.732SS**  trans70.6102.7140.7-72.3-66.8000124.4
959C29Very low32.3Very low103 Ų103134.1 Ų134.170%0.69673%0.729SS**  85128.5102.2-102.60000125.2
960S34.4Very low32.4Very low93 Ų93136.6 Ų136.665%0.6573%0.734SS**  trans82.1112.9138.1-48.30000117.8
961E31.4Very low32.7Very low175 Ų175136.9 Ų136.982%0.81874%0.74SS**  65.7115.366.9-154.7143.8-149.700109.7
962E35Very low32.8Very low167 Ų167133.5 Ų133.578%0.7874%0.738SS**  -170.5132.881.2-77.8170-162.600109.4
963V32.8Very low32.9Very low98 Ų98135.7 Ų135.759%0.59474%0.742SS**  60.5120.5103.4-167.60000116.1
964Y35.3Very low33Very low204 Ų204139.9 Ų139.980%0.875%0.745SS**  166102.8121.3-94.1-75000112.8
965Q32.3Very low33Very low151 Ų151140.9 Ų140.971%0.70674%0.742SS**  39.9140.8122.7-123.8103.715.500123.7
966L33.2Very low32.7Very low134 Ų134140.8 Ų140.870%0.70274%0.737SS**  trans94.7104.4140.7-70.1154.3000119.7
967D31.9Very low32.8Very low126 Ų126140.3 Ų140.367%0.67474%0.735SS**  62.1126.8111-65.1-0.1000121.7
968D32.4Very low32.5Very low139 Ų139140.1 Ų140.174%0.74374%0.738SS**  trans82.1145.9134.8-67.3-25.1000121.8
969D35.6Very low32.5Very low145 Ų145144.1 Ų144.178%0.77575%0.749SS**  trans90.992.9157.9-57.3-27.4000119.4
970D32.8Very low32.6Very low149 Ų149142.4 Ų142.480%0.79775%0.748SS**  45.7106106.9-153.519.1000116.4
971C34Very low32.7Very low129 Ų129147.6 Ų147.687%0.87276%0.759SS**  trans-178.4125.5137.3-96.70000110.3
972G32.5Very low32.9Very low67 Ų67144.1 Ų144.169%0.69175%0.75SS**  trans-79.4178.9-176.800000116
973M29.7Very low32.9Very low165 Ų165143.8 Ų143.881%0.81375%0.748SS**  trans69.7146156-60-63.2-156.500117.8
974Y32.5Very low32.8Very low222 Ų222143.9 Ų143.987%0.87175%0.753SS**  trans76140.6172.2-51.5-78.6000114.5
975N29.4Very low32.8Very low124 Ų124143 Ų14366%0.66375%0.753SS**  cis-177.4140.7-14.9-170.416.1000101.5
976T30.1Very low32.7Very low98 Ų98140.6 Ų140.660%0.60175%0.753SS**  trans47.7134.6149.352.20000121.8
977N32.3Very low32.8Very low137 Ų137141.4 Ų141.473%0.73376%0.755SS**  trans105103.4147.1-54.9-27.8000117.8
978D31.7Very low32.8Very low148 Ų148142.6 Ų142.679%0.79176%0.762SS**  37.5113.9118.1-72.4-20.8000119.1
979R34.3Very low32.9Very low253 Ų253140.1 Ų140.196%0.95576%0.755SS**  trans171.7102.3143-92.4158.2-164.3-156.17.1105.1
980G31.6Very low32.7Very low66 Ų66143.1 Ų143.168%0.6876%0.761SS**  cis97.4101.447.500000108.7
981F35.2Very low32.6Very low202 Ų202143.1 Ų143.189%0.88676%0.761SS**  trans-166.793151-103.3-79.7000106.6
982V36.9Very low32.5Very low103 Ų103144 Ų14462%0.62476%0.757SS**  73.1124.290.7167.80000111.5
983H34.5Very low32.4Very low159 Ų159146 Ų14674%0.73676%0.757SS**  cis-171.1140.2-3-99.6-13.1000107.9
984S29.9Very low32.5Very low100 Ų100146.3 Ų146.370%0.69975%0.754SS**  trans65.3136.3133.1-41.40000119.1
985K35.4Very low32.6Very low186 Ų186143.3 Ų143.381%0.80975%0.754SS**  cis-160.9142.335.4-75.5-176.7175.4177.80111.5
986S31.3Very low32.7Very low101 Ų101144.1 Ų144.171%0.70676%0.758SS**  trans-61151.6150.3157.40000111.3
987M35.6Very low33Very low150 Ų150145.9 Ų145.974%0.73976%0.762SS**  trans-162.7103.2136.4-105.8-170.5-69.200110.9
988D31.6Very low32.9Very low152 Ų152146 Ų14681%0.81376%0.763SS**  -47.3127128.4-78-54.2000107.9
989S33.3Very low33.1Very low86 Ų86144.6 Ų144.660%0.60176%0.764SS**  trans175.4126153.1-81.20000112L991S989-L991 PolarHBondContact O-N 3.49Å; S989-L991 VanDerWaalsContact O-N 3.12Å
990K31.2Very low32.9Very low209 Ų209140.3 Ų140.391%0.90976%0.76SS**  trans-54.8103.3154.2-68.2174.9175-179.10109.4
991L31.7Very low33Very low149 Ų149144.2 Ų144.278%0.7877%0.765SS**  trans-149.4121.1165.5-76.9179.4000112.2S989S989-L991 PolarHBondContact O-N 3.49Å; S989-L991 VanDerWaalsContact O-N 3.12Å
992N30.8Very low32.6Very low148 Ų148144.1 Ų144.179%0.79176%0.764SS**  trans-46.6145.3163.2-79.7-21.4000112
993P32.3Very low32.3Very low108 Ų108147.6 Ų147.670%0.70177%0.771SS**SBendtrans-112.751163.940.4-29.1000110.9
994F30.6Very low32.2Very low171 Ų171144 Ų14475%0.7576%0.764SS**  trans-146.9137.5164.3-69.7-73.3000107.8
995D35.1Very low32.2Very low160 Ų160148.7 Ų148.786%0.85677%0.772SS**  trans91.1123.6-171.6-52.7-23.1000112.8
996N32.4Very low32Very low141 Ų141145.5 Ų145.575%0.75477%0.772SS**  cis-173.7174.93.8-173.72.8000105.3
997I34.6Very low31.9Very low134 Ų134148 Ų14869%0.68777%0.772SS**  trans110.594.1155-54165000115.2
998D31.5Very low31.8Very low140 Ų140148.8 Ų148.875%0.74978%0.778SS**  trans64.4103.2130.2-57.4-20.5000119.3
999S35.3Very low31.8Very low118 Ų118145.5 Ų145.583%0.82577%0.767SS**  -171.2133.9109.133.90000111.6L1001S999-L1001 PolarHBondContact O-N 3.17Å; S999-L1001 VanDerWaalsContact O-N 3.17Å
1000N29.6Very low31.8Very low163 Ų163148 Ų14887%0.87278%0.779SS**  trans-34.9108.1172.1-69-69.6000114.7
1001L33.6Very low31.8Very low148 Ų148143.3 Ų143.378%0.77577%0.771SS**  trans-155.7102.1140.1-139.470.5000111.4S999 F1003S999-L1001 PolarHBondContact O-N 3.17Å; S999-L1001 VanDerWaalsContact O-N 3.17Å; L1001-F1003 HydrophobicContact CD2-CD2 4.11Å; L1001-F1003 HydrophobicContact CD2-CE2 4.32Å; L1001-F1003 HydrophobicContact CG-CD2 4.25Å; L1001-F1003 HydrophobicContact CG-CE2 4.48Å; L1001-F1003 PolarHBondContact O-N 3.22Å
1002K28.2Very low31.9Very low200 Ų200145.6 Ų145.687%0.8778%0.775SS**  trans-43.7117153.7-78.8170.7169.6178.20109
1003F30.5Very low32Very low176 Ų176143.4 Ų143.477%0.77277%0.771SS**  trans-152.592.7145-92.5-70.3000110.1L1001L1001-F1003 HydrophobicContact CD2-CD2 4.11Å; L1001-F1003 HydrophobicContact CD2-CE2 4.32Å; L1001-F1003 HydrophobicContact CG-CD2 4.25Å; L1001-F1003 HydrophobicContact CG-CE2 4.48Å; L1001-F1003 PolarHBondContact O-N 3.22Å
1004S31.7Very low31.9Very low83 Ų83145.6 Ų145.658%0.5878%0.776SS**  trans24.5114.913452.60000118.8C1006S1004-C1006 PolarHBondContact O-N 3.12Å; S1004-C1006 VanDerWaalsContact O-N 3.12Å
1005K29.8Very low32.1Very low199 Ų199143.9 Ų143.987%0.86577%0.774SS**  trans-23.5105.7138.6-164.5170.9-1711750112.4
1006C31Very low32Very low120 Ų120143.3 Ų143.381%0.81177%0.771SS**  trans-104.298167.8-84.30000109.9S1004S1004-C1006 PolarHBondContact O-N 3.12Å; S1004-C1006 VanDerWaalsContact O-N 3.12Å
1007H29.5Very low32.2Very low152 Ų152142.9 Ų142.970%0.70477%0.769SS**  trans-65.3139.4151.2-115.5-93000109.3
1008L33.6Very low32.1Very low168 Ų168144.1 Ų144.188%0.8877%0.771SS**  trans-140.985.9159.1-150.374.7000106.4
1009S31.3Very low32Very low83 Ų83143.4 Ų143.458%0.5877%0.767SS**  73.7100.477.2-58.70000113.7
1010T33.7Very low31.8Very low138 Ų138144.5 Ų144.585%0.84776%0.763SS**  trans-149.9103.7133.7-33.70000110.7
1011C31Very low31.9Very low111 Ų111141.6 Ų141.675%0.7575%0.751SS**  trans52.6128.4142.9-58.90000119.7
1012K33.6Very low31.8Very low196 Ų196142 Ų14285%0.85275%0.749SS**  cis-171.8148.323.6-115.2169.4-179.7179.20109.9
1013S33.3Very low32.2Very low102 Ų102140.5 Ų140.571%0.71375%0.745SS**  trans74.588.5153.5-162.30000118.1
1014I30.2Very low32.3Very low155 Ų155141.2 Ų141.280%0.79575%0.748SS**  66.9106.581.1-55.6160.6000112.5
1015N35.3Very low32.7Very low135 Ų135146.5 Ų146.572%0.72276%0.761SS**  -178.1120.989.5-158.216.1000110.9
1016N32.4Very low32.8Very low147 Ų147142.6 Ų142.679%0.78675%0.753SS**  trans-86.7145.8159.8-69.9-27.7000107.4
1017N36.5Very low33Very low133 Ų133142.2 Ų142.271%0.71175%0.751SS**  trans-169.4114.6142.1-87.8-13.6000106.1
1018E31.9Very low33.4Very low159 Ų159140.2 Ų140.274%0.74375%0.754SS**  63.2125.282.9-104.7-166155.400113.8
1019L30Very low33.4Very low126 Ų126140.5 Ų140.566%0.6675%0.751SS**  trans64.3130.6139.4-105.572.1000119.3
1020L31.1Very low33.7Very low141 Ų141140.8 Ų140.874%0.73875%0.751SS**  trans69.4133.7144.2-59.8164.6000113.5
1021T32.2Very low33.9Very low102 Ų102140.6 Ų140.663%0.62674%0.744SS**  cis177.715130.42.10000104.7
1022E31.7Very low34.2Very low157 Ų157141.3 Ų141.373%0.73475%0.745SS**  trans65.1111.1139.4-67.9-175.3175.500120.7
1023Q35.5Very low34.4Very low168 Ų168137.4 Ų137.479%0.78574%0.74SS**  155.8108.1100.8-73.5-147.2-4.200113.2
1024K33.6Very low34.6Very low191 Ų191138.5 Ų138.583%0.8374%0.742SS**  trans23.3122.9131-75.8177.3171.2175.70119.4
1025K38.9Very low34.9Very low194 Ų194137.1 Ų137.184%0.84375%0.746SS**  176.3100.3111.8-97.7169.1176.5176.90109
1026T32.2Very low34.8Very low116 Ų116142 Ų14271%0.71276%0.755SS**  48.9112.793.861.30000114.9
1027C34.6Very low35.1Very low112 Ų112140.8 Ų140.876%0.75776%0.757SS**  162.7123.4107.5-88.70000113.5
1028S38.2Very low34.9Very low110 Ų110141.7 Ų141.777%0.76976%0.762SS**  trans81.9103.3133.5-44.20000121.7
1029E33.6Very low35.3Very low175 Ų175141.6 Ų141.682%0.81877%0.765SS**  0.3170.9116.8-111.2-173.3157.700119.1
1030P39.1Very low35.7Very low88 Ų88144.4 Ų144.457%0.57177%0.772SS**  cis-148.8-175.11.135.7-11.2000117.7
1031N37.3Very low36.2Very low134 Ų134144.3 Ų144.372%0.71777%0.772SS**  trans80.8108139.3-73.5-25.8000125.2
1032V37Very low36.4Very low126 Ų126148 Ų14876%0.76478%0.78SS**  58.7160107.9-179.90000119.5
1033P38.8Very low36.8Very low115 Ų115149.6 Ų149.675%0.74778%0.784SS**  cis-132.2174.8-14.527.5-4.8000117.6
1034V36.8Very low36.6Very low125 Ų125146.6 Ų146.676%0.75878%0.782SS**  trans-33.4147.9158.1-178.70000118.7
1035S36.9Very low36.7Very low126 Ų126145.2 Ų145.288%0.88178%0.782SS**  trans-146.9127.9147.5-77.20000113.5
1036R32.6Very low36.4Very low238 Ų238141 Ų14190%0.89878%0.784SS**  trans-68.5156177.3-68.9164.9160.5170.4-6.5112.7
1037S37.7Very low36.4Very low121 Ų121138.9 Ų138.985%0.84679%0.785SS**  -166.7147.4118.958.30000111.7
1038N33Very low36.3Very low152 Ų152138.2 Ų138.281%0.81379%0.788SS**  trans-124.3120.7-166.4-162.7-2000105.1
1039I41Very low36.1Very low156 Ų156141.5 Ų141.580%0.880%0.796SS**  trans-137.2105.3169.2-61.9-178.9000108.5
1040K38.4Very low36.1Very low185 Ų185138 Ų13880%0.80479%0.791SS**  trans-66.2134.4155.6-91.4169.5169.3170.90108.3
1041D40.3Very low35.6Very low140 Ų140143.9 Ų143.975%0.74980%0.803SS**  trans-172.8104.9140.2-87.3-32.1000107.7
1042K38Very low35.4Very low180 Ų180142.8 Ų142.878%0.78380%0.803SS**  64.2120.294.2-87.3-173.3-179.3175.10114.7
1043K39.8Very low35Very low190 Ų190141.4 Ų141.483%0.82680%0.799SS**  trans94.7113.4151-64170.3177.2-176.60117.2
1044S31.7Very low34.7Very low105 Ų105145.1 Ų145.173%0.73480%0.804SS**  55.9104.5126.41730000117.2
1045L34.2Very low34.5Very low161 Ų161147.5 Ų147.584%0.84381%0.806SS**  -167.1126.2115.5-137.868.9000110
1046A32.8Very low34.3Very low105 Ų105150.1 Ų150.187%0.86881%0.805SS**  trans-62.1137.9157.800000108.9
1047G32.8Very low34.4Very low72 Ų72147.5 Ų147.574%0.74281%0.807SS**  trans-166.999177.700000109.9
1048A32.4Very low34.3Very low99 Ų99150.4 Ų150.482%0.81881%0.808SS**  trans-58137.5178.700000112.5
1049L34.3Very low34.3Very low179 Ų179148.3 Ų148.394%0.93781%0.805SS**  trans-140.3129151.5-74.9178.8000110
1050S33.4Very low34Very low101 Ų101146.5 Ų146.571%0.70681%0.805SS**  trans-82.7155.8-172.8179.80000112.6
1051Y28.6Very low33.9Very low212 Ų212146.8 Ų146.883%0.83181%0.809SS**  trans-19.7161.9171.4-78.9-90.6000120.7
1052P33.6Very low33.7Very low111 Ų111148.1 Ų148.172%0.72181%0.81SS**  -134.8144.7100.227.1-10.1000115.3
1053S28.7Very low33.5Very low96 Ų96146.4 Ų146.467%0.67181%0.81SS**  trans-71.8136.1165.1165.40000110.9
1054F32.4Very low33.6Very low194 Ų194151 Ų15185%0.85183%0.83SS**  trans-131.7106161.6-92-85000109.6
1055H31.3Very low33.7Very low175 Ų175153.3 Ų153.381%0.8184%0.835SS**  trans-83.5155.9153.8-113.6-82.5000108.1
1056Q34.1Very low33.7Very low181 Ų181152.9 Ų152.985%0.84684%0.835SS**  trans86.4102.2-178.6-68.6178.4-21.800115.5
1057L34.3Very low33.8Very low182 Ų182155.6 Ų155.695%0.95383%0.833SS**  -159.497.2123.7-96.7168.7000107.2
1058E34.9Very low33.8Very low183 Ų183160.5 Ų160.586%0.85584%0.838SS**  trans-95.3144.6168.1-169.2158.6-16000107.8
1059S32.6Very low33.9Very low108 Ų108164.3 Ų164.376%0.75584%0.839SS**  trans68.5105175.6-69.40000118.1
1060C34.8Very low33.9Very low118 Ų118163.3 Ų163.380%0.79783%0.833SS**  170.5107.5128.4-93.10000108.8
1061H37.5Very low33.9Very low191 Ų191167.8 Ų167.888%0.88484%0.842SS**  176.2103.9122.8-101.5-76.6000111.3
1062Q34.7Very low34.3Very low168 Ų168164.4 Ų164.479%0.78584%0.843SS**  trans-67.3151.2152.5-101.1160-2500110.3
1063N34.8Very low34.4Very low144 Ų144168.8 Ų168.877%0.7785%0.853SS**  trans75.898.9160.7-58.9-32000118
1064F42.7Very low34.9Very low286 Ų286175.5 Ų175.5100%1.25487%0.869SS**  -142.80122.1-104.3-77000109.8

Retrieved 1,064 of 1,064 residues in 548 ms (Link to these results)