A0A3Q0KNK5_SCHMA Loading...

Achaete-scute transcription factor-related

AlphaFold DB , UniProt , Accession A0A3Q0KNK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low44.1Very low236 Ų236155.6 Ų155.6100%1.16382%0.823SS**  01550-71.2166.878.600108.3
2I43.4Very low43.7Very low171 Ų171149 Ų14988%0.87782%0.82SS**  trans108.9129.3-175.1-63163000111.2
3P50.7Low43.8Very low105 Ų105149.2 Ų149.268%0.68282%0.819SS**  trans-125.2-162.9-155.825.50.8000112.7
4I47.2Very low44.1Very low148 Ų148149.5 Ų149.576%0.75982%0.817SS**  trans126114.7140.4-66.5161.5000116.6
5S46.5Very low44.4Very low110 Ų110152.5 Ų152.577%0.76982%0.819SS**  trans63117.1149.769.10000122.6
6E41Very low44.6Very low168 Ų168157.2 Ų157.279%0.78582%0.821SS**  trans-62.3155.2160.2-176.917817300114.2Q8E6-Q8 PolarHBondContact OE1-NE2 3.44Å
7S44.8Very low44.6Very low108 Ų108155.2 Ų155.276%0.75582%0.818SS**  trans-114.3141178.355.80000111.9
8Q42.4Very low44.3Very low158 Ų158153.3 Ų153.374%0.73882%0.818SS**  trans-130.3137173.2-72-68.2-22.700110.2E6E6-Q8 PolarHBondContact OE1-NE2 3.44Å
9P41Very low44.2Very low115 Ų115153.3 Ų153.375%0.74782%0.817SS**PPolyproline II helixtrans-87.6157.4-169.134.3-35.8000114.5
10Q45.2Very low44.5Very low196 Ų196155.4 Ų155.492%0.91682%0.819SS**PPolyproline II helixtrans-86.4153-175.4-64.4-165.911.300115
11F39.8Very low44.3Very low197 Ų197155.3 Ų155.386%0.86482%0.818SS**PPolyproline II helixtrans-75.2135.1174.7-80.7-100.3000113.5
12G38.3Very low44.1Very low76 Ų76150.2 Ų150.278%0.78480%0.804SS**  trans-87.7115.417000000113.2
13N45.8Very low44.2Very low151 Ų151146 Ų14681%0.80779%0.794SS**  trans-98.3118.1177.1-79.2-53.3000112.4K15N13-K15 PolarHBondContact O-N 3.44Å
14I48.4Very low43.5Very low154 Ų154147.9 Ų147.979%0.7979%0.794SS**  trans-92100.1176-59.9172.6000110.2
15K47.6Very low43.3Very low194 Ų194146.6 Ų146.684%0.84380%0.795SS**PPolyproline II helixtrans-73.8125.3169.4-82.6178.4173.7174.40110.6N13N13-K15 PolarHBondContact O-N 3.44Å
16R48.1Very low42.9Very low228 Ų228149.3 Ų149.386%0.8680%0.796SS**PPolyproline II helixtrans-96119.3163.6-69.7-172.1179.5102.2-0.5109.8
17T44.3Very low43Very low124 Ų124144.6 Ų144.676%0.76178%0.781SS**PPolyproline II helixtrans-89.7120.6175.949.80000110.9
18C40.1Very low42.8Very low121 Ų121148.2 Ų148.282%0.81879%0.79SS**  trans-114.489.9176.2-65.50000110.6
19N42.4Very low42.9Very low152 Ų152147.9 Ų147.981%0.81379%0.789SS**  trans-89113.7172.1-70.6-13.9000110.1
20K49.9Very low43Very low195 Ų195149.8 Ų149.885%0.84879%0.793SS**  trans-168.7107.5148.2-109.8157.9-173.5177.40113.6
21I39.3Very low43.4Very low155 Ų155147.2 Ų147.280%0.79578%0.784SS**  trans49.390.9141.4-46.6173.3000116
22C40.6Very low43.8Very low129 Ų129141.8 Ų141.887%0.87276%0.764SS**  trans-106.6105.3150.3-171.60000107.4
23A44.2Very low44.6Very low81 Ų81142.6 Ų142.667%0.66976%0.755SS**  trans-85.8124.9172.100000108.8
24Q36.4Very low44.8Very low146 Ų146141.1 Ų141.168%0.68274%0.743SS**  trans-73.2138.2170.1-70.8-167.9-12.200110.5Q26Q24-Q26 HydrophobicContact CB-CG 4.5Å
25P44.1Very low45.1Very low121 Ų121138.7 Ų138.779%0.78673%0.732SS**  trans-98.5106.6147.316.91.6000108.7S27P25-S27 PolarHBondContact O-N 2.84Å
26Q37.7Very low44.9Very low167 Ų167138.1 Ų138.178%0.7872%0.724SS**  trans-85.482.8166.2-67.4-176.58.700109.8Q24Q24-Q26 HydrophobicContact CB-CG 4.5Å
27S42.9Very low45.2Very low69 Ų69131.5 Ų131.548%0.48371%0.706SS.*  trans-167.1136150.657.20000110.7P25 E29P25-S27 PolarHBondContact O-N 2.84Å; S27-E29 WeakPolarHBondContact CB-OE1 3.41Å; S27-E29 PolarHBondContact O-N 3.32Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 PolarHBondContact OG-OE1 3.44Å
28I40.5Very low45.8Very low183 Ų183131.9 Ų131.994%0.93870%0.697SS**  trans-8477.7167.9-61.7170.2000106.5N30I28-N30 PolarHBondContact O-N 3.48Å
29E45Very low46.4Very low152 Ų152128.9 Ų128.971%0.7168%0.678SS**  trans-93.893.6176.2-85.6174.6-12900111.3S27 I31S27-E29 WeakPolarHBondContact CB-OE1 3.41Å; S27-E29 PolarHBondContact O-N 3.32Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 PolarHBondContact OG-OE1 3.44Å; E29-I31 PolarHBondContact O-N 3.13Å
30N43Very low47Very low154 Ų154124.5 Ų124.582%0.82466%0.657SS**  trans17.686.4146.8-152.2-10.3000115.8I28 N32I28-N30 PolarHBondContact O-N 3.48Å; N30-N32 PolarHBondContact O-N 3.11Å
31I52.5Low47.1Very low143 Ų143119.3 Ų119.373%0.73364%0.638SS**  trans-72.690.1-177.2-57.6174.7000109.8E29E29-I31 PolarHBondContact O-N 3.13Å
32N48.3Very low47.8Very low83 Ų83118.8 Ų118.844%0.44463%0.63SS.*  trans-59.4125173.4-178.9-20000110.4N30 Q34 N35N30-N32 PolarHBondContact O-N 3.11Å; N32-Q34 PolarHBondContact O-N 3.05Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; N32-Q34 VanDerWaalsContact OD1-CG 3.29Å; N32-Q34 WeakPolarHBondContact OD1-CG 3.21Å; N32-Q34 PolarHBondContact OD1-N 3.18Å; N32-N35 PolarHBondContact O-N 2.99Å
33P55.2Low48Very low92 Ų92121 Ų12160%0.59762%0.62SS**Hα-helixtrans-58.5-24.3-178.921.4-32.7000113.8N35 W36 N37P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.9Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-N37 PolarHBondContact O-N 2.87Å
34Q51.3Low48.3Very low121 Ų121122.8 Ų122.857%0.56562%0.618SS**Hα-helixtrans-57.7-35.1171.2-66.9-84.1-13.400112.7N32 K38N32-Q34 PolarHBondContact O-N 3.05Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; N32-Q34 VanDerWaalsContact OD1-CG 3.29Å; N32-Q34 WeakPolarHBondContact OD1-CG 3.21Å; N32-Q34 PolarHBondContact OD1-N 3.18Å; Q34-K38 WeakPolarHBondContact O-CG 3.33Å; Q34-K38 PolarHBondContact O-N 3.46Å; Q34-K38 VanDerWaalsContact O-N 3.13Å
35N54.8Low48.8Very low102 Ų102122.2 Ų122.255%0.54562%0.62SS.*Hα-helixtrans-77.6-31.3179-101.2-5.1000112.5N32 P33 K38 S39N32-N35 PolarHBondContact O-N 2.99Å; P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.9Å; N35-K38 PolarHBondContact O-N 3.25Å; N35-S39 PolarHBondContact O-N 2.87Å
36W42.8Very low49Very low182 Ų182122.3 Ų122.369%0.68961%0.61SS**Hα-helixtrans-64.4-45.9173.8-159.450.7000110.5P33 K38 S39 V40P33-W36 PolarHBondContact O-N 3.23Å; W36-K38 PolarHBondContact O-N 2.91Å; W36-S39 WeakPolarHBondContact O-CB 3.36Å; W36-S39 PolarHBondContact O-N 3.22Å; W36-S39 VanDerWaalsContact O-N 3.12Å; W36-V40 WeakPolarHBondContact O-CG2 3.46Å; W36-V40 PolarHBondContact O-N 3.19Å
37N53.7Low49.5Very low90 Ų90122.3 Ų122.348%0.48161%0.607SS.*Hα-helixtrans-59.6-42.7173.8-71.8-23.6000112.8P33 S39 V40 N41P33-N37 PolarHBondContact O-N 2.87Å; N37-S39 VanDerWaalsContact C-N 3.32Å; N37-S39 PolarHBondContact O-N 3.42Å; N37-V40 PolarHBondContact O-N 3.35Å; N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.32Å; N37-N41 PolarHBondContact O-N 3.19Å; N37-N41 PolarHBondContact O-ND2 3.22Å
38K58Low49.3Very low131 Ų131125.1 Ų125.157%0.5761%0.608SS**Hα-helixtrans-61.8-39.1174-74.3170.8-175.5176.90112.4Q34 N35 W36 K42Q34-K38 WeakPolarHBondContact O-CG 3.33Å; Q34-K38 PolarHBondContact O-N 3.46Å; Q34-K38 VanDerWaalsContact O-N 3.13Å; N35-K38 PolarHBondContact O-N 3.25Å; W36-K38 PolarHBondContact O-N 2.91Å; K38-K42 WeakPolarHBondContact O-CB 3.29Å; K38-K42 PolarHBondContact O-N 2.75Å
39S51.8Low49.4Very low58 Ų58128 Ų12841%0.40661%0.607SS.*Hα-helixtrans-65.4-55.8176.1-158.60000110.5N35 W36 N37 N41 K42 W43N35-S39 PolarHBondContact O-N 2.87Å; W36-S39 WeakPolarHBondContact O-CB 3.36Å; W36-S39 PolarHBondContact O-N 3.22Å; W36-S39 VanDerWaalsContact O-N 3.12Å; N37-S39 VanDerWaalsContact C-N 3.32Å; N37-S39 PolarHBondContact O-N 3.42Å; S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.06Å; S39-K42 WeakPolarHBondContact O-CA 3.31Å; S39-K42 VanDerWaalsContact O-CB 3.26Å; S39-K42 WeakPolarHBondContact O-CB 3.21Å; S39-K42 PolarHBondContact O-N 2.67Å; S39-W43 PolarHBondContact O-N 3.36Å; S39-W43 VanDerWaalsContact O-N 3.1Å
40V55.3Low49.5Very low61 Ų61130 Ų13037%0.3761%0.614SS.*Hα-helixtrans-54.6-42.3177.9173.90000111.9W36 N37 K42 W43 N44W36-V40 WeakPolarHBondContact O-CG2 3.46Å; W36-V40 PolarHBondContact O-N 3.19Å; N37-V40 PolarHBondContact O-N 3.35Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.22Å; V40-W43 PolarHBondContact O-N 3.25Å; V40-N44 PolarHBondContact O-N 3.1Å
41N52.3Low49.7Very low85 Ų85128.2 Ų128.246%0.45561%0.61SS.*Hα-helixtrans-67.8-29.9175.8-70.7-19.8000113N37 S39 N44 N45N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.32Å; N37-N41 PolarHBondContact O-N 3.19Å; N37-N41 PolarHBondContact O-ND2 3.22Å; S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.06Å; N41-N44 PolarHBondContact O-N 3.45Å; N41-N45 WeakPolarHBondContact O-CB 3.23Å; N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.44Å; N41-N45 VanDerWaalsContact O-ND2 3.13Å
42K53.4Low49.3Very low145 Ų145130 Ų13063%0.6362%0.62SS**Hα-helixtrans-67.9-35.2172.2-165.1175.2-176.6177.90112K38 S39 V40 Q46K38-K42 WeakPolarHBondContact O-CB 3.29Å; K38-K42 PolarHBondContact O-N 2.75Å; S39-K42 WeakPolarHBondContact O-CA 3.31Å; S39-K42 VanDerWaalsContact O-CB 3.26Å; S39-K42 WeakPolarHBondContact O-CB 3.21Å; S39-K42 PolarHBondContact O-N 2.67Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.22Å; K42-Q46 WeakPolarHBondContact O-CG 3.24Å; K42-Q46 PolarHBondContact O-N 3.21Å
43W45.1Very low49.4Very low176 Ų176129.9 Ų129.967%0.66763%0.631SS**Hα-helixtrans-69.8-40.1171.2-68.291.3000112S39 V40S39-W43 PolarHBondContact O-N 3.36Å; S39-W43 VanDerWaalsContact O-N 3.1Å; V40-W43 PolarHBondContact O-N 3.25Å
44N51Low48.9Very low117 Ų117132.6 Ų132.663%0.62664%0.64SS**Hα-helixtrans-69.4-35.4176.8-79.3-23.8000113.5V40 N41 Q46V40-N44 PolarHBondContact O-N 3.1Å; N41-N44 PolarHBondContact O-N 3.45Å; N44-Q46 VanDerWaalsContact C-N 3.34Å
45N45.6Very low48.4Very low134 Ų134134.8 Ų134.872%0.71766%0.655SS**THydrogen-bonded Turntrans-84.5-4.4-178.2-69.1-29.7000113.8N41 K47N41-N45 WeakPolarHBondContact O-CB 3.23Å; N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.44Å; N41-N45 VanDerWaalsContact O-ND2 3.13Å; N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.76Å
46Q48.2Very low47.6Very low124 Ų124134.1 Ų134.158%0.57966%0.659SS**SBendtrans-77.980.8173-85179-26.700112.1K42 N44 Y48K42-Q46 WeakPolarHBondContact O-CG 3.24Å; K42-Q46 PolarHBondContact O-N 3.21Å; N44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-Y48 WeakPolarHBondContact O-CD2 3.37Å; Q46-Y48 PolarHBondContact O-N 3.17Å; Q46-Y48 VanDerWaalsContact O-N 3.15Å
47K48.4Very low47.2Very low166 Ų166133.3 Ų133.372%0.72267%0.668SS**SBendtrans74.9-2.7144.2-139176.8-173.2-1790119.3N45N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.76Å
48Y39Very low46.2Very low128 Ų128135.1 Ų135.150%0.50268%0.682SS.*  trans-141.358.1-173.7-59.5-83.5000117.8Q46Q46-Y48 WeakPolarHBondContact O-CD2 3.37Å; Q46-Y48 PolarHBondContact O-N 3.17Å; Q46-Y48 VanDerWaalsContact O-N 3.15Å
49R42.1Very low45.3Very low244 Ų244137.4 Ų137.492%0.92169%0.689SS**  trans-148.2115.8145.7-75.6-155.4-173.8-152.14.6111.3
50K48.6Very low44.7Very low194 Ų194140.8 Ų140.884%0.84371%0.707SS**  trans-86.7145.8158.2-67.7-176.6179-178.30108.2L52K50-L52 PolarHBondContact O-N 3.32Å
51P47.3Very low43.7Very low116 Ų116149 Ų14975%0.75373%0.731SS**  trans-59.1136.3176.6-2434.4000112A53P51-A53 PolarHBondContact O-N 2.89Å
52L44.1Very low43.1Very low181 Ų181151.1 Ų151.195%0.94874%0.74SS**THydrogen-bonded Turntrans-79.829.1-170-152.576.6000113.9K50K50-L52 PolarHBondContact O-N 3.32Å
53A50.4Low42.4Very low81 Ų81152.5 Ų152.567%0.66975%0.749SS**THydrogen-bonded Turntrans-112.4-17.8-164.300000115.7P51P51-A53 PolarHBondContact O-N 2.89Å
54N44.1Very low41.9Very low148 Ų148150.9 Ų150.979%0.79176%0.759SS**  trans-122.937.2-168.1-74-6.7000114.3
55L39.9Very low41.3Very low168 Ų168154 Ų15488%0.8877%0.769SS**  trans-115.152.3176.6-75.4167.4000112.1N57L55-N57 PolarHBondContact O-N 2.97Å
56S37.8Very low40.8Very low88 Ų88153.2 Ų153.262%0.61577%0.773SS**  trans-78.4108.4168.553.50000111.4T58S56-T58 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact O-N 3.13Å; S56-T58 PolarHBondContact O-OG1 3.36Å
57N35.1Very low40.6Very low164 Ų164153 Ų15388%0.87778%0.782SS**SBendtrans46.252.3142.1-54.8-7.4000117.8L55L55-N57 PolarHBondContact O-N 2.97Å
58T33.3Very low40.6Very low128 Ų128151.9 Ų151.979%0.78578%0.783SS**  trans-140.272.7171.934.20000112.5S56S56-T58 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact O-N 3.13Å; S56-T58 PolarHBondContact O-OG1 3.36Å
59Y38.6Very low40.9Very low180 Ų180155 Ų15571%0.70680%0.799SS**  trans-141.658155.3-164-102.1000110.8M62Y59-M62 HydrophobicContact CE2-CB 3.88Å; Y59-M62 HydrophobicContact CE2-CG 4.1Å; Y59-M62 WeakPolarHBondContact OH-CB 3.32Å; Y59-M62 PolarHBondContact OH-O 3.13Å
60T39Very low41.1Very low128 Ų128149.9 Ų149.979%0.78579%0.789SS**  trans-76.1130.7153.532.50000108.3
61R34.2Very low40.8Very low233 Ų233148 Ų14888%0.87979%0.788SS**  trans58.379155.6-169-174.8-177.4162.41.3116.1
62M40Very low40.8Very low130 Ų130152.7 Ų152.764%0.6479%0.791SS**  trans-129.4100.6150.1-64.8-158.97600111.1Y59Y59-M62 HydrophobicContact CE2-CB 3.88Å; Y59-M62 HydrophobicContact CE2-CG 4.1Å; Y59-M62 WeakPolarHBondContact OH-CB 3.32Å; Y59-M62 PolarHBondContact OH-O 3.13Å
63E39.1Very low40.9Very low174 Ų174149.8 Ų149.881%0.81378%0.783SS**  trans26.3134.4141.9-65.5172176.400121.6E65E63-E65 PolarHBondContact O-N 3.06Å
64T34.3Very low40.4Very low143 Ų143153.4 Ų153.488%0.87779%0.79SS**  trans-80.393.8176.947.20000112.3
65E37.3Very low40.3Very low181 Ų181153.7 Ų153.785%0.84679%0.792SS**  trans-137.2111.2161.9-72.2-156.6155.200112.8E63E63-E65 PolarHBondContact O-N 3.06Å
66C36Very low40.8Very low118 Ų118155.7 Ų155.780%0.79779%0.793SS**  trans-103.1113.5166.5-71.70000108.7I68C66-I68 PolarHBondContact O-N 3.49Å
67P43.3Very low41.2Very low119 Ų119161 Ų16177%0.77381%0.805SS**  trans-77.290.6179.730.2-33.8000111K69P67-K69 PolarHBondContact O-N 3.35Å; P67-K69 VanDerWaalsContact O-N 3.17Å
68I48.4Very low41.6Very low143 Ų143161.7 Ų161.773%0.73381%0.808SS**  trans-73101.5167-56175.5000107.9C66 L70C66-I68 PolarHBondContact O-N 3.49Å; I68-L70 HydrophobicContact CG2-CB 4.28Å; I68-L70 PolarHBondContact O-N 2.93Å
69K46.9Very low42.3Very low194 Ų194164.1 Ų164.184%0.84381%0.808SS**  trans-72.892.2167.8-70.9-168.7176.6-171.70109.8P67P67-K69 PolarHBondContact O-N 3.35Å; P67-K69 VanDerWaalsContact O-N 3.17Å
70L44.5Very low42.3Very low137 Ų137162 Ų16272%0.71781%0.813SS**  trans-98.683.9179.1-173.472.9000111.3I68I68-L70 HydrophobicContact CG2-CB 4.28Å; I68-L70 PolarHBondContact O-N 2.93Å
71D43.5Very low42.4Very low153 Ų153160.1 Ų160.182%0.81881%0.805SS**  trans-98.670.6171.9-77.9-44.4000112.3
72R47.2Very low43Very low215 Ų215154.4 Ų154.481%0.81180%0.801SS**SBendtrans-157133157.6-146.5123.4-96.6-102.81.9110.5
73P45.1Very low43.1Very low120 Ų120153 Ų15378%0.77981%0.809SS**  trans-81153-157.331.1-35.1000114.2N75P73-N75 PolarHBondContact O-N 3.47Å
74L40.9Very low43.6Very low158 Ų158149.6 Ų149.683%0.82781%0.805SS**  trans-50.4117166.2-92.165.9000110.6
75N42.5Very low44.5Very low154 Ų154148.1 Ų148.182%0.82480%0.8SS**  trans-179.390.8141.7-97.2-34.3000110.7P73P73-N75 PolarHBondContact O-N 3.47Å
76K50.8Low45.3Very low209 Ų209144.8 Ų144.891%0.90980%0.797SS**SBendtrans-171.793.2153.4-99.8141.9-164.3179.40111.6
77K45Very low46.2Very low201 Ų201144.3 Ų144.387%0.87480%0.795SS**  trans47.295.2142.6-145.9167.5-169.5172.20116.7K79K77-K79 PolarHBondContact O-N 2.89Å; K77-K79 VanDerWaalsContact O-N 3.08Å
78L43.7Very low46.8Very low177 Ų177142.7 Ų142.793%0.92779%0.786SS**  trans-48.2114.7157.4-75.1157.7000109.4
79K48.2Very low47.3Very low180 Ų180145.8 Ų145.878%0.78379%0.79SS**  trans-126.397.8165.8-156-179.4-175.6-173.80108.3K77 C81K77-K79 PolarHBondContact O-N 2.89Å; K77-K79 VanDerWaalsContact O-N 3.08Å; K79-C81 PolarHBondContact O-N 2.84Å; K79-C81 VanDerWaalsContact O-N 3.14Å
80T38.5Very low48Very low134 Ų134139.6 Ų139.682%0.82278%0.781SS**  trans-61.7106.4173.246.80000109.6
81C41.7Very low49.1Very low90 Ų90137.6 Ų137.661%0.60877%0.772SS**  trans-136.691.8174-66.20000109.8K79K79-C81 PolarHBondContact O-N 2.84Å; K79-C81 VanDerWaalsContact O-N 3.14Å
82S45.6Very low50.6Low113 Ų113132.9 Ų132.979%0.7975%0.748SS**  trans51.4115.9136.3-46.30000119.2S84S82-S84 PolarHBondContact O-N 3.47Å
83A42.6Very low52.3Low99 Ų99127.2 Ų127.282%0.81873%0.734SS**  trans-58.5104.7162.100000111.3S85A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.33Å
84S50Low54.3Low103 Ų103124.6 Ų124.672%0.7272%0.718SS**  trans-9560.8166.646.20000110.4S82 S86S82-S84 PolarHBondContact O-N 3.47Å; S84-S86 PolarHBondContact O-N 3.34Å
85S52.8Low56.5Low113 Ų113122.1 Ų122.179%0.7970%0.704SS**  trans-77.964.1178.953.50000112.1A83A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.33Å
86S53.9Low58.7Low110 Ų110118.1 Ų118.177%0.76968%0.682SS**  trans-15429.9-17355.50000116.9S84S84-S86 PolarHBondContact O-N 3.34Å
87S54.6Low60.7Low108 Ų108112.4 Ų112.476%0.75566%0.661SS**  trans-149.632.3170.263.80000115.2
88S56.8Low63Low85 Ų85106.9 Ų106.959%0.59464%0.644SS**  trans-85.7-16.3-166.9-156.20000116.4
89Y58.8Low65.5Low209 Ų209106.4 Ų106.482%0.8263%0.63SS**Hα-helixtrans-76.7-27.8-167.7-71.6-76.3000115.6T92Y89-T92 PolarHBondContact O-OG1 3.38Å
90G61.9Low67.7Low63 Ų63104.4 Ų104.465%0.64962%0.618SS**Hα-helixtrans-79.5-22.3178.600000114.5
91N66.3Low70.5Confident96 Ų96102.3 Ų102.351%0.51360%0.602SS.*Hα-helixtrans-86.2-29.5-173.3-159.1-0.5000112.3D93 S94 M95N91-D93 VanDerWaalsContact C-N 3.32Å; N91-D93 PolarHBondContact O-N 2.94Å; N91-S94 PolarHBondContact O-N 3.18Å; N91-M95 WeakPolarHBondContact O-CG 3.33Å; N91-M95 PolarHBondContact O-N 3.26Å
92T76.5Confident73.2Confident54 Ų54102.6 Ų102.633%0.33159%0.594SS.*Hα-helixtrans-59.1-42.2177.543.80000112.3Y89 M95 N96Y89-T92 PolarHBondContact O-OG1 3.38Å; T92-M95 HydrophobicContact CG2-CE 4.39Å; T92-M95 PolarHBondContact O-N 3.03Å; T92-N96 VanDerWaalsContact O-CB 3.27Å; T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.81Å; T92-N96 PolarHBondContact O-ND2 3.47Å
93D82.4Confident75.7Confident96 Ų96103 Ų10351%0.51358%0.578SS.*Hα-helixtrans-71.6-40.4-180-68.2-27.6000112.1N91 M95 N96 I97N91-D93 VanDerWaalsContact C-N 3.32Å; N91-D93 PolarHBondContact O-N 2.94Å; D93-M95 PolarHBondContact O-N 3.01Å; D93-N96 PolarHBondContact O-N 3.41Å; D93-I97 WeakPolarHBondContact O-CB 3.42Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.48Å; D93-I97 PolarHBondContact O-N 2.97Å
94S87.6Confident78.4Confident64 Ų64102.3 Ų102.345%0.44856%0.558SS.*Hα-helixtrans-58.3-46.4172.2-175.60000112.1N91 I97 T98N91-S94 PolarHBondContact O-N 3.18Å; S94-I97 PolarHBondContact O-N 2.91Å; S94-T98 WeakPolarHBondContact O-CB 3.28Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.12Å
95M85.7Confident80.7Confident107 Ų107105.8 Ų105.853%0.52756%0.555SS.*Hα-helixtrans-63.3-41.7174.6-71.7-168.1-62.400112.3N91 T92 D93 T98 R99N91-M95 WeakPolarHBondContact O-CG 3.33Å; N91-M95 PolarHBondContact O-N 3.26Å; T92-M95 HydrophobicContact CG2-CE 4.39Å; T92-M95 PolarHBondContact O-N 3.03Å; D93-M95 PolarHBondContact O-N 3.01Å; M95-T98 PolarHBondContact O-N 3.16Å; M95-R99 WeakPolarHBondContact O-CB 3.4Å; M95-R99 PolarHBondContact O-N 3.45Å
96N89.9Confident82.8Confident69 Ų69102.9 Ų102.937%0.36953%0.531SS..Hα-helixtrans-66.8-40.6179.2-75.6-31.6000112.1T92 D93 R100T92-N96 VanDerWaalsContact O-CB 3.27Å; T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.81Å; T92-N96 PolarHBondContact O-ND2 3.47Å; D93-N96 PolarHBondContact O-N 3.41Å; N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.27Å; N96-R100 PolarHBondContact O-N 3.13Å
97I91.7Very high85Confident89 Ų89104 Ų10446%0.45652%0.518SS..Hα-helixtrans-64.2-46.9173.1-68.9162.5000109.9D93 S94 R99 R100 N101D93-I97 WeakPolarHBondContact O-CB 3.42Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.48Å; D93-I97 PolarHBondContact O-N 2.97Å; S94-I97 PolarHBondContact O-N 2.91Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.39Å; I97-R100 WeakPolarHBondContact O-CB 3.37Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.13Å; I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 2.88Å; I97-N101 PolarHBondContact O-OD1 3.24Å
98T94.4Very high87.1Confident86 Ų86101.1 Ų101.153%0.52850%0.496SS..Hα-helixtrans-57.7-46177.5-59.20000111.4S94 M95 R100 N101 E102S94-T98 WeakPolarHBondContact O-CB 3.28Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.12Å; M95-T98 PolarHBondContact O-N 3.16Å; T98-R100 PolarHBondContact O-N 3.47Å; T98-N101 PolarHBondContact O-N 2.87Å; T98-E102 PolarHBondContact O-N 2.95Å
99R95.3Very high89Confident166 Ų166103 Ų10363%0.62649%0.494SS*.Hα-helixtrans-65.1-37.1176.4-166.5-170-73.5-100.21.8112.7M95 I97 R103M95-R99 WeakPolarHBondContact O-CB 3.4Å; M95-R99 PolarHBondContact O-N 3.45Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.39Å; R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.37Å
100R95.1Very high90.9Very high138 Ų13899 Ų9952%0.52149%0.486SS..Hα-helixtrans-63.7-47.1173.5-77172.8-175.9116.80.1111.3N96 I97 T98 E102 R103 E104N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.27Å; N96-R100 PolarHBondContact O-N 3.13Å; I97-R100 WeakPolarHBondContact O-CB 3.37Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.13Å; T98-R100 PolarHBondContact O-N 3.47Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.24Å; R100-R103 PolarHBondContact O-N 3.17Å; R100-E104 PolarHBondContact O-N 3.43Å
101N98Very high92.6Very high91 Ų9199.8 Ų99.849%0.48747%0.474SS..Hα-helixtrans-63.1-38.4179.8-68-10000111.9I97 T98 E104 R105I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 2.88Å; I97-N101 PolarHBondContact O-OD1 3.24Å; T98-N101 PolarHBondContact O-N 2.87Å; N101-E104 PolarHBondContact O-N 3.18Å; N101-R105 WeakPolarHBondContact O-CG 3.24Å; N101-R105 PolarHBondContact O-N 2.91Å
102E97.9Very high94.2Very high96 Ų9698 Ų9845%0.44947%0.465SS..Hα-helixtrans-68.6-39176.8-17451.7-146.800112.3T98 R100 E104 R105 N106T98-E102 PolarHBondContact O-N 2.95Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.24Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.69Å; E102-R105 PolarHBondContact O-N 3.25Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 3.09Å; E102-N106 PolarHBondContact OE1-ND2 2.9Å
103R98.1Very high95.2Very high121 Ų12199.6 Ų99.646%0.45747%0.47SS..Hα-helixtrans-60.5-41.5170.8-71.4-165.5-54.8-92.85.7111.9R99 R100 N106 R107R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.37Å; R100-R103 PolarHBondContact O-N 3.17Å; R103-N106 PolarHBondContact O-N 3.26Å; R103-R107 PolarHBondContact O-N 2.97Å
104E98.1Very high96Very high84 Ų8496.9 Ų96.939%0.39346%0.464SS..Hα-helixtrans-66.3-40.3177.9-18055.3-160.800112.4R100 N101 E102 N106 R107 V108R100-E104 PolarHBondContact O-N 3.43Å; N101-E104 PolarHBondContact O-N 3.18Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.69Å; E104-N106 VanDerWaalsContact C-N 3.32Å; E104-N106 PolarHBondContact O-N 3.4Å; E104-R107 PolarHBondContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.83Å; E104-R107 IonicContact OE1-NE 3.4Å; E104-R107 PolarHBondContact OE1-NE 3.01Å; E104-R107 IonicContact OE1-NH2 2.68Å; E104-R107 PolarHBondContact OE1-NH2 3.36Å; E104-R107 IonicContact OE2-CZ 3.03Å; E104-R107 IonicContact OE2-NE 3.62Å; E104-R107 PolarHBondContact OE2-NE 3.34Å; E104-R107 IonicContact OE2-NH2 3.65Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.03Å; E104-V108 WeakPolarHBondContact OE1-CG2 3.36Å
105R98.5Very high96.5Very high177 Ų17795.1 Ų95.167%0.66845%0.449SS*.Hα-helixtrans-56.8-45.4171.4-74.4173.3-176.8-94.80.2111.6N101 E102 V108 K109N101-R105 WeakPolarHBondContact O-CG 3.24Å; N101-R105 PolarHBondContact O-N 2.91Å; E102-R105 PolarHBondContact O-N 3.25Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; R105-V108 PolarHBondContact O-N 3.48Å; R105-K109 WeakPolarHBondContact O-CB 3.32Å; R105-K109 PolarHBondContact O-N 3.4Å
106N98.5Very high97.1Very high52 Ų5294.1 Ų94.128%0.27845%0.445SS..Hα-helixtrans-68.1-38.2178.5-73.8-63.3000112.7E102 R103 E104 K109 L110E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 3.09Å; E102-N106 PolarHBondContact OE1-ND2 2.9Å; R103-N106 PolarHBondContact O-N 3.26Å; E104-N106 VanDerWaalsContact C-N 3.32Å; E104-N106 PolarHBondContact O-N 3.4Å; N106-K109 WeakPolarHBondContact O-CB 3.32Å; N106-K109 PolarHBondContact O-N 3.38Å; N106-L110 PolarHBondContact O-N 3.15Å
107R98.6Very high97.5Very high133 Ų13398.7 Ų98.750%0.50246%0.458SS..Hα-helixtrans-60.1-46.9172.3-167.8-163.569.981.70.4111.8R103 E104 L110 L111R103-R107 PolarHBondContact O-N 2.97Å; E104-R107 PolarHBondContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.83Å; E104-R107 IonicContact OE1-NE 3.4Å; E104-R107 PolarHBondContact OE1-NE 3.01Å; E104-R107 IonicContact OE1-NH2 2.68Å; E104-R107 PolarHBondContact OE1-NH2 3.36Å; E104-R107 IonicContact OE2-CZ 3.03Å; E104-R107 IonicContact OE2-NE 3.62Å; E104-R107 PolarHBondContact OE2-NE 3.34Å; E104-R107 IonicContact OE2-NH2 3.65Å; R107-L110 PolarHBondContact O-N 3.37Å; R107-L111 PolarHBondContact O-N 3.42Å
108V98.5Very high97.8Very high48 Ų4897 Ų9729%0.29145%0.449SS..Hα-helixtrans-67.3-35.5178172.40000111.8E104 R105 L111 N112E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.03Å; E104-V108 WeakPolarHBondContact OE1-CG2 3.36Å; R105-V108 PolarHBondContact O-N 3.48Å; V108-L111 PolarHBondContact O-N 3.06Å; V108-N112 VanDerWaalsContact O-CG 3.32Å; V108-N112 PolarHBondContact O-N 2.83Å; V108-N112 PolarHBondContact O-ND2 3.13Å
109K98.5Very high98Very high124 Ų12496.4 Ų96.454%0.53944%0.437SS..Hα-helixtrans-59.8-48.2173.2-175.2-178.4178.7-1760111.3R105 N106 L111 N112 M113R105-K109 WeakPolarHBondContact O-CB 3.32Å; R105-K109 PolarHBondContact O-N 3.4Å; N106-K109 WeakPolarHBondContact O-CB 3.32Å; N106-K109 PolarHBondContact O-N 3.38Å; K109-L111 PolarHBondContact O-N 2.69Å; K109-N112 PolarHBondContact O-N 2.92Å; K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.01Å
110L97.8Very high98Very high125 Ų12592.7 Ų92.765%0.65444%0.442SS*.Hα-helixtrans-61.8-42.2176.2-178.261.7000112.1N106 R107 N112 M113 G114N106-L110 PolarHBondContact O-N 3.15Å; R107-L110 PolarHBondContact O-N 3.37Å; L110-N112 PolarHBondContact O-N 2.96Å; L110-M113 PolarHBondContact O-N 3.08Å; L110-G114 PolarHBondContact O-N 3.34Å
111L98.4Very high98.1Very high79 Ų7990.6 Ų90.641%0.41444%0.444SS..Hα-helixtrans-59.8-45.4175.1178.163.1000112R107 V108 K109 G114 F115R107-L111 PolarHBondContact O-N 3.42Å; V108-L111 PolarHBondContact O-N 3.06Å; K109-L111 PolarHBondContact O-N 2.69Å; L111-G114 WeakPolarHBondContact O-CA 3.45Å; L111-G114 PolarHBondContact O-N 3.2Å; L111-G114 VanDerWaalsContact O-N 3.12Å; L111-F115 HydrophobicContact CD1-CD2 4.27Å; L111-F115 HydrophobicContact CD1-CE2 3.98Å; L111-F115 HydrophobicContact CG-CD2 4.25Å; L111-F115 HydrophobicContact CG-CE2 4.15Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.38Å
112N98.5Very high98.1Very high58 Ų5886.6 Ų86.631%0.3142%0.423SS..Hα-helixtrans-65.5-39.9178.7-70.5-21000111.6V108 K109 L110 G114 F115 D116 K132V108-N112 VanDerWaalsContact O-CG 3.32Å; V108-N112 PolarHBondContact O-N 2.83Å; V108-N112 PolarHBondContact O-ND2 3.13Å; K109-N112 PolarHBondContact O-N 2.92Å; L110-N112 PolarHBondContact O-N 2.96Å; N112-G114 PolarHBondContact O-N 3.1Å; N112-F115 WeakPolarHBondContact O-CA 3.29Å; N112-F115 WeakPolarHBondContact O-CB 3.43Å; N112-F115 PolarHBondContact O-N 3.24Å; N112-D116 PolarHBondContact O-N 2.9Å; N112-K132 WeakPolarHBondContact OD1-CE 3.4Å; N112-K132 PolarHBondContact OD1-NZ 2.98Å
113M98.3Very high98.1Very high88 Ų8884.6 Ų84.643%0.43342%0.419SS..Hα-helixtrans-59.3-32.9171.3-69.2173.466.900112.5K109 L110 D116 R117K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.01Å; L110-M113 PolarHBondContact O-N 3.08Å; M113-D116 PolarHBondContact O-N 3.03Å; M113-R117 WeakPolarHBondContact O-CG 3.44Å; M113-R117 PolarHBondContact O-N 3.39Å; M113-R117 VanDerWaalsContact O-N 3.09Å
114G98.5Very high97.9Very high39 Ų3982 Ų8240%0.40242%0.418SS..Hα-helixtrans-64.5-45.1170.700000112.9L110 L111 N112 D116 R117 L118L110-G114 PolarHBondContact O-N 3.34Å; L111-G114 WeakPolarHBondContact O-CA 3.45Å; L111-G114 PolarHBondContact O-N 3.2Å; L111-G114 VanDerWaalsContact O-N 3.12Å; N112-G114 PolarHBondContact O-N 3.1Å; G114-D116 VanDerWaalsContact C-N 3.34Å; G114-D116 PolarHBondContact O-N 3.43Å; G114-R117 PolarHBondContact O-N 3.25Å; G114-L118 PolarHBondContact O-N 2.88Å
115F98.7Very high97.7Very high28 Ų2887.7 Ų87.712%0.12344%0.436CS..Hα-helixtrans-61.3-39.1173-86.8-83000112.6L111 N112 L118 R119 K132 T135 L136L111-F115 HydrophobicContact CD1-CD2 4.27Å; L111-F115 HydrophobicContact CD1-CE2 3.98Å; L111-F115 HydrophobicContact CG-CD2 4.25Å; L111-F115 HydrophobicContact CG-CE2 4.15Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.38Å; N112-F115 WeakPolarHBondContact O-CA 3.29Å; N112-F115 WeakPolarHBondContact O-CB 3.43Å; N112-F115 PolarHBondContact O-N 3.24Å; F115-L118 PolarHBondContact O-N 3.28Å; F115-R119 WeakPolarHBondContact O-CG 3.26Å; F115-R119 PolarHBondContact O-N 3.48Å; F115-K132 HydrophobicContact CD1-CB 4.34Å; F115-K132 HydrophobicContact CD1-CG 4.11Å; F115-K132 HydrophobicContact CD2-CD 4.44Å; F115-K132 HydrophobicContact CE1-CB 3.74Å; F115-K132 HydrophobicContact CE1-CD 4.45Å; F115-K132 HydrophobicContact CE1-CG 3.9Å; F115-K132 HydrophobicContact CE2-CD 4.07Å; F115-K132 HydrophobicContact CE2-CG 4.35Å; F115-K132 HydrophobicContact CG-CG 4.43Å; F115-K132 HydrophobicContact CZ-CB 4Å; F115-K132 HydrophobicContact CZ-CD 4.08Å; F115-K132 HydrophobicContact CZ-CG 4.04Å; F115-T135 HydrophobicContact CD1-CG2 4.44Å; F115-L136 HydrophobicContact CE1-CD1 4.42Å; F115-L136 HydrophobicContact CE1-CD2 4.24Å; F115-L136 HydrophobicContact CE1-CG 4.1Å; F115-L136 HydrophobicContact CZ-CD1 4.45Å
116D97.8Very high97.3Very high85 Ų8585.5 Ų85.546%0.45545%0.448SS..Hα-helixtrans-67.1-40.2178.7-63.9-31.9000112.1N112 M113 G114 L118 R119 A120N112-D116 PolarHBondContact O-N 2.9Å; M113-D116 PolarHBondContact O-N 3.03Å; G114-D116 VanDerWaalsContact C-N 3.34Å; G114-D116 PolarHBondContact O-N 3.43Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.49Å; D116-R119 PolarHBondContact O-N 2.91Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NH1 3.3Å; D116-R119 PolarHBondContact OD1-NH1 2.87Å; D116-A120 PolarHBondContact O-N 3.05Å; D116-A120 VanDerWaalsContact O-N 3.17Å
117R98.2Very high96.9Very high166 Ų16686.9 Ų86.963%0.62647%0.474SS*.Hα-helixtrans-61.5-39.9171-71.7175.9-175.5-159.81.8112.2M113 G114 A120M113-R117 WeakPolarHBondContact O-CG 3.44Å; M113-R117 PolarHBondContact O-N 3.39Å; M113-R117 VanDerWaalsContact O-N 3.09Å; G114-R117 PolarHBondContact O-N 3.25Å; R117-A120 PolarHBondContact O-N 3.12Å
118L98.5Very high96.7Very high54 Ų5483.9 Ų83.928%0.28347%0.466SS..Hα-helixtrans-66-43.4176.6-175.559.6000111.5G114 F115 D116 A120 V121 V122 T135 L136 A139G114-L118 PolarHBondContact O-N 2.88Å; F115-L118 PolarHBondContact O-N 3.28Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.49Å; L118-A120 PolarHBondContact O-N 3.34Å; L118-V121 HydrophobicContact CD1-CG2 4.27Å; L118-V121 VanDerWaalsContact O-CG2 3.26Å; L118-V121 WeakPolarHBondContact O-CG2 3.44Å; L118-V121 PolarHBondContact O-N 2.99Å; L118-V121 VanDerWaalsContact O-N 3.13Å; L118-V122 HydrophobicContact CD1-CG2 3.88Å; L118-V122 HydrophobicContact CG-CG2 3.95Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.91Å; L118-T135 HydrophobicContact CB-CG2 4.27Å; L118-T135 HydrophobicContact CD2-CG2 3.83Å; L118-T135 HydrophobicContact CG-CG2 3.84Å; L118-L136 HydrophobicContact CD2-CD2 4.35Å; L118-A139 HydrophobicContact CD1-CB 3.98Å; L118-A139 HydrophobicContact CD2-CB 4.18Å; L118-A139 HydrophobicContact CG-CB 4.35Å
119R97.9Very high96.5Very high73 Ų7390.6 Ų90.628%0.27549%0.494SS..Hα-helixtrans-59.3-31.7175.3-72.4175.2-175.5120.7-3.7113.4F115 D116 V121 L130 T135F115-R119 WeakPolarHBondContact O-CG 3.26Å; F115-R119 PolarHBondContact O-N 3.48Å; D116-R119 PolarHBondContact O-N 2.91Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NH1 3.3Å; D116-R119 PolarHBondContact OD1-NH1 2.87Å; R119-V121 PolarHBondContact O-N 3.05Å; R119-L130 HydrophobicContact CG-CB 4.39Å; R119-L130 PolarHBondContact NE-O 3.47Å; R119-L130 PolarHBondContact NH2-O 3.29Å; R119-T135 HydrophobicContact CG-CG2 3.74Å
120A96.3Very high96.4Very high87 Ų8785.3 Ų85.372%0.71947%0.472SS*.THydrogen-bonded Turntrans-69-18.5178.800000114D116 R117 L118D116-A120 PolarHBondContact O-N 3.05Å; D116-A120 VanDerWaalsContact O-N 3.17Å; R117-A120 PolarHBondContact O-N 3.12Å; L118-A120 PolarHBondContact O-N 3.34Å
121V97.3Very high96.4Very high95 Ų9582.2 Ų82.258%0.57646%0.46SS*.THydrogen-bonded Turntrans-112.5-14.1178.7-60.30000113.8L118 R119 Y142L118-V121 HydrophobicContact CD1-CG2 4.27Å; L118-V121 VanDerWaalsContact O-CG2 3.26Å; L118-V121 WeakPolarHBondContact O-CG2 3.44Å; L118-V121 PolarHBondContact O-N 2.99Å; L118-V121 VanDerWaalsContact O-N 3.13Å; R119-V121 PolarHBondContact O-N 3.05Å; V121-Y142 VanDerWaalsContact O-CE1 3.24Å; V121-Y142 WeakPolarHBondContact O-CE1 3.41Å
122V97.6Very high96.4Very high7 Ų782.8 Ų82.84%0.04246%0.46CS..SBendtrans-82.2128.5179.31670000110.6L118 C124 L130 K138 A139L118-V122 HydrophobicContact CD1-CG2 3.88Å; L118-V122 HydrophobicContact CG-CG2 3.95Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.91Å; V122-C124 PolarHBondContact O-N 3.46Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; V122-K138 HydrophobicContact CG1-CB 3.38Å; V122-K138 HydrophobicContact CG1-CD 4.27Å; V122-K138 HydrophobicContact CG1-CG 4.47Å; V122-A139 HydrophobicContact CG2-CB 3.74Å
123P97.1Very high96.4Very high54 Ų5485 Ų8535%0.35147%0.47SS..  trans-56.7122.2176.2-26.934.7000112.8K138 Y142P123-K138 WeakPolarHBondContact O-CD 3.4Å; P123-Y142 VanDerWaalsContact CD-CD1 3.46Å; P123-Y142 VanDerWaalsContact CD-CG 3.41Å; P123-Y142 HydrophobicContact CG-CD1 4.06Å; P123-Y142 HydrophobicContact CG-CD2 3.45Å; P123-Y142 VanDerWaalsContact CG-CD2 3.45Å; P123-Y142 HydrophobicContact CG-CE1 4.19Å; P123-Y142 HydrophobicContact CG-CE2 3.61Å; P123-Y142 HydrophobicContact CG-CG 3.68Å
124C94.4Very high96.4Very high67 Ų6782.3 Ų82.345%0.45346%0.46SS..  trans-140.6154.9175.856.50000110.7V122 E128 L130V122-C124 PolarHBondContact O-N 3.46Å; C124-E128 WeakPolarHBondContact CA-OE2 3.23Å; C124-E128 HydrophobicContact CB-CB 4.34Å; C124-E128 WeakPolarHBondContact CB-OE2 3.36Å; C124-L130 HydrophobicContact CB-CD1 4.05Å; C124-L130 HydrophobicContact CB-CD2 4.5Å; C124-L130 HydrophobicContact CB-CG 4.29Å
125R94.1Very high96.4Very high202 Ų20280.5 Ų80.576%0.76244%0.441SS*.  trans-72.3150.3174.4-57.5176.470.2121.3-1.2109G127 E128R125-G127 PolarHBondContact O-N 3.22Å; R125-G127 VanDerWaalsContact O-N 3.11Å; R125-E128 HydrophobicContact CB-CB 4.12Å; R125-E128 PolarHBondContact N-OE2 3.07Å; R125-E128 WeakPolarHBondContact O-CB 3.38Å; R125-E128 PolarHBondContact O-N 3.09Å
126S90.8Very high96.4Very high132 Ų13282.9 Ų82.992%0.92346%0.455SS*.THydrogen-bonded Turntrans-55.7118.7175.144.50000110.9
127G90.2Very high96.4Very high80 Ų8085.7 Ų85.783%0.82546%0.463SS*.THydrogen-bonded Turntrans86.5-1.3-176.400000116R125 Q129R125-G127 PolarHBondContact O-N 3.22Å; R125-G127 VanDerWaalsContact O-N 3.11Å; G127-Q129 PolarHBondContact O-N 3.49Å
128E93.8Very high96.4Very high70 Ų7080.4 Ų80.433%0.32745%0.445SS..  trans-71.8116.9176.9-174.1-176.3-170.800111.6C124 R125 L130 K138C124-E128 WeakPolarHBondContact CA-OE2 3.23Å; C124-E128 HydrophobicContact CB-CB 4.34Å; C124-E128 WeakPolarHBondContact CB-OE2 3.36Å; R125-E128 HydrophobicContact CB-CB 4.12Å; R125-E128 PolarHBondContact N-OE2 3.07Å; R125-E128 WeakPolarHBondContact O-CB 3.38Å; R125-E128 PolarHBondContact O-N 3.09Å; E128-L130 HydrophobicContact CG-CD2 4Å; E128-L130 PolarHBondContact O-N 3.12Å; E128-K138 VanDerWaalsContact OE1-CE 3.31Å; E128-K138 WeakPolarHBondContact OE1-CE 3.42Å; E128-K138 IonicContact OE1-NZ 2.67Å; E128-K138 PolarHBondContact OE1-NZ 2.9Å; E128-K138 IonicContact OE2-NZ 2.75Å; E128-K138 PolarHBondContact OE2-NZ 3.28Å
129Q94.7Very high96.4Very high190 Ų19078.4 Ų78.489%0.88844%0.436SS*.  trans-87.5107.9176.6-65.2-170.66.500111.4G127 S131G127-Q129 PolarHBondContact O-N 3.49Å; Q129-S131 PolarHBondContact O-N 2.93Å
130L96.4Very high96.5Very high13 Ų1379.7 Ų79.77%0.06845%0.447CS..  trans-81.7114-179.9-60.1-178000112.8R119 V122 C124 E128 T135 K138R119-L130 HydrophobicContact CG-CB 4.39Å; R119-L130 PolarHBondContact NE-O 3.47Å; R119-L130 PolarHBondContact NH2-O 3.29Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; C124-L130 HydrophobicContact CB-CD1 4.05Å; C124-L130 HydrophobicContact CB-CD2 4.5Å; C124-L130 HydrophobicContact CB-CG 4.29Å; E128-L130 HydrophobicContact CG-CD2 4Å; E128-L130 PolarHBondContact O-N 3.12Å; L130-T135 WeakPolarHBondContact CB-OG1 3.48Å; L130-K138 HydrophobicContact CD1-CD 4.33Å; L130-K138 HydrophobicContact CD2-CD 3.93Å
131S97.7Very high96.5Very high59 Ų5982 Ų8241%0.41344%0.438SS..  trans-55.2163.6161.875.50000112.2Q129 I133 S134 T135Q129-S131 PolarHBondContact O-N 2.93Å; S131-I133 PolarHBondContact O-N 3.49Å; S131-I133 WeakPolarHBondContact OG-CG2 3.46Å; S131-S134 PolarHBondContact N-OG 3.05Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.35Å; S131-S134 WeakPolarHBondContact OG-CB 3.22Å; S131-S134 PolarHBondContact OG-N 3.29Å; S131-S134 VanDerWaalsContact OG-N 3.08Å; S131-S134 PolarHBondContact OG-OG 3.49Å; S131-T135 WeakPolarHBondContact O-CB 3.46Å; S131-T135 PolarHBondContact O-N 3.15Å; S131-T135 PolarHBondContact O-OG1 2.96Å
132K98.3Very high96.6Very high92 Ų9281.1 Ų81.140%0.442%0.424SS..Hα-helixtrans-57-47.4177.5-69.8-172.4174.1-172.80111.9N112 F115 T135 L136N112-K132 WeakPolarHBondContact OD1-CE 3.4Å; N112-K132 PolarHBondContact OD1-NZ 2.98Å; F115-K132 HydrophobicContact CD1-CB 4.34Å; F115-K132 HydrophobicContact CD1-CG 4.11Å; F115-K132 HydrophobicContact CD2-CD 4.44Å; F115-K132 HydrophobicContact CE1-CB 3.74Å; F115-K132 HydrophobicContact CE1-CD 4.45Å; F115-K132 HydrophobicContact CE1-CG 3.9Å; F115-K132 HydrophobicContact CE2-CD 4.07Å; F115-K132 HydrophobicContact CE2-CG 4.35Å; F115-K132 HydrophobicContact CG-CG 4.43Å; F115-K132 HydrophobicContact CZ-CB 4Å; F115-K132 HydrophobicContact CZ-CD 4.08Å; F115-K132 HydrophobicContact CZ-CG 4.04Å; K132-T135 PolarHBondContact O-N 3.38Å; K132-L136 WeakPolarHBondContact O-CG 3.42Å; K132-L136 PolarHBondContact O-N 2.92Å; K132-L136 VanDerWaalsContact O-N 3.15Å
133I98.4Very high96.6Very high104 Ų10486.3 Ų86.353%0.53345%0.45SS..Hα-helixtrans-68-39.4-179.5-174.359.1000112.9S131 L136 K137S131-I133 PolarHBondContact O-N 3.49Å; S131-I133 WeakPolarHBondContact OG-CG2 3.46Å; I133-L136 PolarHBondContact O-N 3.36Å; I133-K137 HydrophobicContact CD1-CG 4.46Å; I133-K137 HydrophobicContact CG1-CD 4.48Å; I133-K137 WeakPolarHBondContact O-CG 3.46Å; I133-K137 PolarHBondContact O-N 3.11Å
134S98.1Very high96.6Very high32 Ų3288.2 Ų88.222%0.22446%0.455CS..Hα-helixtrans-70-34.6176.862.60000112.2S131 K137 K138S131-S134 PolarHBondContact N-OG 3.05Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.35Å; S131-S134 WeakPolarHBondContact OG-CB 3.22Å; S131-S134 PolarHBondContact OG-N 3.29Å; S131-S134 VanDerWaalsContact OG-N 3.08Å; S131-S134 PolarHBondContact OG-OG 3.49Å; S134-K137 PolarHBondContact O-N 3.34Å; S134-K138 WeakPolarHBondContact O-CB 3.45Å; S134-K138 WeakPolarHBondContact O-CG 3.48Å; S134-K138 PolarHBondContact O-N 2.89Å
135T98.4Very high96.7Very high0 Ų088.8 Ų88.80%045%0.451CS..Hα-helixtrans-58.9-47.2172.2-50.20000110.7F115 L118 R119 L130 S131 K132 A139F115-T135 HydrophobicContact CD1-CG2 4.44Å; L118-T135 HydrophobicContact CB-CG2 4.27Å; L118-T135 HydrophobicContact CD2-CG2 3.83Å; L118-T135 HydrophobicContact CG-CG2 3.84Å; R119-T135 HydrophobicContact CG-CG2 3.74Å; L130-T135 WeakPolarHBondContact CB-OG1 3.48Å; S131-T135 WeakPolarHBondContact O-CB 3.46Å; S131-T135 PolarHBondContact O-N 3.15Å; S131-T135 PolarHBondContact O-OG1 2.96Å; K132-T135 PolarHBondContact O-N 3.38Å; T135-A139 WeakPolarHBondContact O-CB 3.37Å; T135-A139 PolarHBondContact O-N 3.05Å
136L98.7Very high96.9Very high79 Ų7982.4 Ų82.441%0.41443%0.431SS..Hα-helixtrans-64.5-47.6178.3-65.8171.8000112.3F115 L118 K132 I133 K138 A139 I140F115-L136 HydrophobicContact CE1-CD1 4.42Å; F115-L136 HydrophobicContact CE1-CD2 4.24Å; F115-L136 HydrophobicContact CE1-CG 4.1Å; F115-L136 HydrophobicContact CZ-CD1 4.45Å; L118-L136 HydrophobicContact CD2-CD2 4.35Å; K132-L136 WeakPolarHBondContact O-CG 3.42Å; K132-L136 PolarHBondContact O-N 2.92Å; K132-L136 VanDerWaalsContact O-N 3.15Å; I133-L136 PolarHBondContact O-N 3.36Å; L136-K138 PolarHBondContact O-N 2.77Å; L136-A139 PolarHBondContact O-N 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.41Å
137K98.3Very high97.1Very high143 Ų14380.1 Ų80.162%0.62241%0.409SS*.Hα-helixtrans-58.8-45178.2-74.6-175.5174.3-169.40112.3I133 S134 W141I133-K137 HydrophobicContact CD1-CG 4.46Å; I133-K137 HydrophobicContact CG1-CD 4.48Å; I133-K137 WeakPolarHBondContact O-CG 3.46Å; I133-K137 PolarHBondContact O-N 3.11Å; S134-K137 PolarHBondContact O-N 3.34Å; K137-W141 PolarHBondContact O-N 3.38Å; K137-W141 VanDerWaalsContact O-N 3.13Å
138K98.1Very high97.4Very high56 Ų5681.9 Ų81.924%0.24339%0.394CS..Hα-helixtrans-70.4-32.4178-69.1-164.4-175.9-154.30112.9V122 P123 E128 L130 S134 L136 Y142V122-K138 HydrophobicContact CG1-CB 3.38Å; V122-K138 HydrophobicContact CG1-CD 4.27Å; V122-K138 HydrophobicContact CG1-CG 4.47Å; P123-K138 WeakPolarHBondContact O-CD 3.4Å; E128-K138 VanDerWaalsContact OE1-CE 3.31Å; E128-K138 WeakPolarHBondContact OE1-CE 3.42Å; E128-K138 IonicContact OE1-NZ 2.67Å; E128-K138 PolarHBondContact OE1-NZ 2.9Å; E128-K138 IonicContact OE2-NZ 2.75Å; E128-K138 PolarHBondContact OE2-NZ 3.28Å; L130-K138 HydrophobicContact CD1-CD 4.33Å; L130-K138 HydrophobicContact CD2-CD 3.93Å; S134-K138 WeakPolarHBondContact O-CB 3.45Å; S134-K138 WeakPolarHBondContact O-CG 3.48Å; S134-K138 PolarHBondContact O-N 2.89Å; L136-K138 PolarHBondContact O-N 2.77Å; K138-Y142 VanDerWaalsContact O-CB 3.24Å; K138-Y142 WeakPolarHBondContact O-CB 3.34Å; K138-Y142 PolarHBondContact O-N 2.83Å
139A98.7Very high97.4Very high12 Ų1283 Ų8310%0.09941%0.405CS..Hα-helixtrans-63.7-45.8173.900000112L118 V122 T135 L136 Y142 I143L118-A139 HydrophobicContact CD1-CB 3.98Å; L118-A139 HydrophobicContact CD2-CB 4.18Å; L118-A139 HydrophobicContact CG-CB 4.35Å; V122-A139 HydrophobicContact CG2-CB 3.74Å; T135-A139 WeakPolarHBondContact O-CB 3.37Å; T135-A139 PolarHBondContact O-N 3.05Å; L136-A139 PolarHBondContact O-N 3.29Å; A139-Y142 PolarHBondContact O-N 2.91Å; A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.68Å
140I98.4Very high97.5Very high99 Ų9980.5 Ų80.551%0.50840%0.397SS..Hα-helixtrans-59.1-53.7175.9-65.6163.4000110.1L136 Y142 I143 E144L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.41Å; I140-Y142 VanDerWaalsContact C-N 3.26Å; I140-Y142 PolarHBondContact O-N 2.74Å; I140-I143 PolarHBondContact O-N 3.46Å; I140-I143 VanDerWaalsContact O-N 3.16Å; I140-E144 WeakPolarHBondContact CG2-OE1 3.38Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.05Å
141W97.9Very high97.2Very high137 Ų13785.5 Ų85.552%0.51942%0.42SS..Hα-helixtrans-56.1-38.9177.4176.486.3000112.9K137 E144 H145K137-W141 PolarHBondContact O-N 3.38Å; K137-W141 VanDerWaalsContact O-N 3.13Å; W141-E144 PolarHBondContact O-N 3.41Å; W141-H145 HydrophobicContact CH2-CB 4.27Å; W141-H145 HydrophobicContact CZ2-CB 4.32Å; W141-H145 HydrophobicContact CZ3-CB 4.39Å; W141-H145 VanDerWaalsContact O-CB 3.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.93Å
142Y98.5Very high96Very high75 Ų7585.7 Ų85.729%0.29443%0.431SS..Hα-helixtrans-70.8-38-179.6-175.8-136.4000112.4V121 P123 K138 A139 I140 H145 L146V121-Y142 VanDerWaalsContact O-CE1 3.24Å; V121-Y142 WeakPolarHBondContact O-CE1 3.41Å; P123-Y142 VanDerWaalsContact CD-CD1 3.46Å; P123-Y142 VanDerWaalsContact CD-CG 3.41Å; P123-Y142 HydrophobicContact CG-CD1 4.06Å; P123-Y142 HydrophobicContact CG-CD2 3.45Å; P123-Y142 VanDerWaalsContact CG-CD2 3.45Å; P123-Y142 HydrophobicContact CG-CE1 4.19Å; P123-Y142 HydrophobicContact CG-CE2 3.61Å; P123-Y142 HydrophobicContact CG-CG 3.68Å; K138-Y142 VanDerWaalsContact O-CB 3.24Å; K138-Y142 WeakPolarHBondContact O-CB 3.34Å; K138-Y142 PolarHBondContact O-N 2.83Å; A139-Y142 PolarHBondContact O-N 2.91Å; I140-Y142 VanDerWaalsContact C-N 3.26Å; I140-Y142 PolarHBondContact O-N 2.74Å; Y142-H145 PolarHBondContact O-N 3.3Å; Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD2-CD1 4.26Å; Y142-L146 HydrophobicContact CD2-CG 4.02Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 HydrophobicContact CE2-CD1 3.88Å; Y142-L146 HydrophobicContact CE2-CD2 3.85Å; Y142-L146 HydrophobicContact CE2-CG 3.73Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.45Å; Y142-L146 PolarHBondContact O-N 3.2Å
143I98.1Very high94.3Very high116 Ų11687.8 Ų87.860%0.59544%0.442SS*.Hα-helixtrans-61.6-49.6172.5-67163.4000109.8A139 I140 H145 L146 D147A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.68Å; I140-I143 PolarHBondContact O-N 3.46Å; I140-I143 VanDerWaalsContact O-N 3.16Å; I143-H145 VanDerWaalsContact C-N 3.29Å; I143-H145 PolarHBondContact O-N 2.84Å; I143-L146 PolarHBondContact O-N 3.48Å; I143-D147 VanDerWaalsContact O-CB 3.29Å; I143-D147 WeakPolarHBondContact O-CB 3.4Å; I143-D147 PolarHBondContact O-N 3.17Å
144E97.2Very high92.4Very high94 Ų9491 Ų9144%0.43946%0.455SS..Hα-helixtrans-60.8-35176.6-68173.8-170.800113.3I140 W141 K148I140-E144 WeakPolarHBondContact CG2-OE1 3.38Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.05Å; W141-E144 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact O-CD 3.5Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.34Å; E144-K148 PolarHBondContact O-N 3.43Å
145H96.5Very high90.4Very high80 Ų8096.4 Ų96.437%0.3748%0.481SS..Hα-helixtrans-70.2-47.3177.3174.758.7000111.4W141 Y142 I143 D147 K148 V149W141-H145 HydrophobicContact CH2-CB 4.27Å; W141-H145 HydrophobicContact CZ2-CB 4.32Å; W141-H145 HydrophobicContact CZ3-CB 4.39Å; W141-H145 VanDerWaalsContact O-CB 3.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.93Å; Y142-H145 PolarHBondContact O-N 3.3Å; I143-H145 VanDerWaalsContact C-N 3.29Å; I143-H145 PolarHBondContact O-N 2.84Å; H145-D147 VanDerWaalsContact C-N 3.31Å; H145-D147 PolarHBondContact O-N 3.28Å; H145-K148 PolarHBondContact O-N 3.49Å; H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.86Å
146L97.4Very high88.1Confident68 Ų6899.6 Ų99.636%0.35650%0.504SS..Hα-helixtrans-61.9-40.8175.6-70.5177.1000111.3Y142 I143 K148 V149 L150Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD2-CD1 4.26Å; Y142-L146 HydrophobicContact CD2-CG 4.02Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 HydrophobicContact CE2-CD1 3.88Å; Y142-L146 HydrophobicContact CE2-CD2 3.85Å; Y142-L146 HydrophobicContact CE2-CG 3.73Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.45Å; Y142-L146 PolarHBondContact O-N 3.2Å; I143-L146 PolarHBondContact O-N 3.48Å; L146-K148 PolarHBondContact O-N 2.95Å; L146-V149 PolarHBondContact O-N 3.05Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.33Å
147D96.1Very high85.5Confident83 Ų83100.3 Ų100.344%0.44451%0.514SS..Hα-helixtrans-57.4-47.2176.2-172.954.6000111.9I143 H145 V149 L150 H151I143-D147 VanDerWaalsContact O-CB 3.29Å; I143-D147 WeakPolarHBondContact O-CB 3.4Å; I143-D147 PolarHBondContact O-N 3.17Å; H145-D147 VanDerWaalsContact C-N 3.31Å; H145-D147 PolarHBondContact O-N 3.28Å; D147-V149 VanDerWaalsContact C-N 3.35Å; D147-V149 PolarHBondContact O-N 3.46Å; D147-L150 PolarHBondContact O-N 3.33Å; D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.18Å; D147-H151 PolarHBondContact O-ND1 3.35Å; D147-H151 IonicContact OD1-CE1 3.9Å; D147-H151 PolarHBondContact OD1-CE1 2.96Å; D147-H151 IonicContact OD1-ND1 2.69Å; D147-H151 PolarHBondContact OD1-ND1 3.17Å
148K94.9Very high83.1Confident118 Ų11899 Ų9951%0.51352%0.523SS..Hα-helixtrans-63.8-35.2175.3-71.2164.5-172.8167.40113.7E144 H145 L146 G152 Q153E144-K148 WeakPolarHBondContact O-CD 3.5Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.34Å; E144-K148 PolarHBondContact O-N 3.43Å; H145-K148 PolarHBondContact O-N 3.49Å; L146-K148 PolarHBondContact O-N 2.95Å; K148-G152 PolarHBondContact O-N 3.43Å; K148-Q153 PolarHBondContact O-N 3.32Å
149V95.6Very high80.7Confident92 Ų92101.9 Ų101.956%0.55855%0.55SS**Hα-helixtrans-73.9-38.8178.3169.80000111.3H145 L146 D147H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.86Å; L146-V149 PolarHBondContact O-N 3.05Å; D147-V149 VanDerWaalsContact C-N 3.35Å; D147-V149 PolarHBondContact O-N 3.46Å
150L95.4Very high78.3Confident138 Ų138106 Ų10672%0.72358%0.578SS**Hα-helixtrans-74.9-36.8179.5-69.1171.2000112.4L146 D147 G152L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.33Å; D147-L150 PolarHBondContact O-N 3.33Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.29Å
151H91.5Very high75.9Confident118 Ų118105.3 Ų105.355%0.54658%0.582SS.*THydrogen-bonded Turntrans-93.525.1178.5-59.9128.3000114D147 Q153D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.18Å; D147-H151 PolarHBondContact O-ND1 3.35Å; D147-H151 IonicContact OD1-CE1 3.9Å; D147-H151 PolarHBondContact OD1-CE1 2.96Å; D147-H151 IonicContact OD1-ND1 2.69Å; D147-H151 PolarHBondContact OD1-ND1 3.17Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; H151-Q153 PolarHBondContact O-N 3.02Å
152G72.6Confident73.3Confident63 Ų63104.4 Ų104.465%0.64960%0.597SS**THydrogen-bonded Turntrans59.827.8158.700000117.6K148 L150 E154K148-G152 PolarHBondContact O-N 3.43Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.29Å; G152-E154 PolarHBondContact O-N 3.4Å
153Q61.7Low70.8Confident136 Ų136106.2 Ų106.264%0.63662%0.621SS**THydrogen-bonded Turntrans49.244.4171.7-165.6161-26.800116.5K148 H151 N155 S156K148-Q153 PolarHBondContact O-N 3.32Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; H151-Q153 PolarHBondContact O-N 3.02Å; Q153-N155 PolarHBondContact O-N 2.91Å; Q153-S156 PolarHBondContact O-N 2.9Å; Q153-S156 PolarHBondContact O-OG 3.38Å
154E58.2Low68.6Low173 Ų173109.5 Ų109.581%0.80863%0.633SS**  trans-78.211.8163.751.2-155.9150.600114.1G152G152-E154 PolarHBondContact O-N 3.4Å
155N56Low66Low145 Ų145113.4 Ų113.478%0.77565%0.654SS**SBendtrans-98.456.8153.4-75.9-47.2000110.8Q153 C157Q153-N155 PolarHBondContact O-N 2.91Å; N155-C157 PolarHBondContact O-N 3.47Å
156S50.4Low63.6Low67 Ų67117.6 Ų117.647%0.46968%0.679SS.*  trans-61.3116.6169.7-72.40000110.5Q153 S158Q153-S156 PolarHBondContact O-N 2.9Å; Q153-S156 PolarHBondContact O-OG 3.38Å; S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.4Å; S156-S158 PolarHBondContact O-OG 2.93Å; S156-S158 VanDerWaalsContact O-OG 3.1Å
157C43.5Very low61.1Low94 Ų94123.6 Ų123.664%0.63571%0.705SS**  trans25.147.8148.959.60000119.8N155 S159 S160N155-C157 PolarHBondContact O-N 3.47Å; C157-S159 PolarHBondContact O-N 3.46Å; C157-S160 PolarHBondContact O-OG 2.9Å; C157-S160 VanDerWaalsContact O-OG 3.05Å
158S48Very low58.8Low114 Ų114125.2 Ų125.280%0.79772%0.723SS**THydrogen-bonded Turntrans-88.132.1177-65.80000113.9S156S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.4Å; S156-S158 PolarHBondContact O-OG 2.93Å; S156-S158 VanDerWaalsContact O-OG 3.1Å
159S48.2Very low56.4Low117 Ų117125.5 Ų125.582%0.81874%0.735SS**THydrogen-bonded Turntrans-148.120.2167.1-62.20000112.5C157 S161C157-S159 PolarHBondContact O-N 3.46Å; S159-S161 PolarHBondContact O-N 2.78Å
160S47.9Very low53.9Low98 Ų98128.3 Ų128.369%0.68575%0.746SS**  trans-76.953.5156.351.30000110.1C157C157-S160 PolarHBondContact O-OG 2.9Å; C157-S160 VanDerWaalsContact O-OG 3.05Å
161S48.3Very low51.5Low85 Ų85131 Ų13159%0.59475%0.753SS**  trans-108.281176.6-60.10000108.8S159 S163S159-S161 PolarHBondContact O-N 2.78Å; S161-S163 PolarHBondContact O-N 3.47Å
162S43.3Very low49.4Very low119 Ų119131.1 Ų131.183%0.83276%0.762SS**  trans30.479.1143.959.80000117.3
163S47.2Very low47.8Very low113 Ų113135.9 Ų135.979%0.7977%0.772SS**  trans-131.182.2165.2-73.20000110.3S161S161-S163 PolarHBondContact O-N 3.47Å
164Q50.4Low46.9Very low185 Ų185137.1 Ų137.186%0.86478%0.778SS**  trans41.2110.4148.3-67.8169.8-27.600119
165M42.9Very low45.9Very low176 Ų176134.9 Ų134.987%0.86778%0.782SS**  15.1112.2129.8-61.2172.969.100116.8
166N46.6Very low45.6Very low167 Ų167132.8 Ų132.889%0.89377%0.774SS**  -157.2110.8125.9-93.9-35.2000109.7
167Q45Very low45.1Very low195 Ų195135.4 Ų135.491%0.91179%0.787SS**  trans-83.2113.2168.2-64.9175.93800107.9
168S46.6Very low45Very low117 Ų117136.8 Ų136.882%0.81880%0.797SS**  trans-140.699156.7-72.80000107.8
169T46.3Very low45.1Very low123 Ų123138.3 Ų138.376%0.75580%0.795SS**  trans-71.2124.7169.347.20000109.3
170D41.9Very low44.9Very low151 Ų151139.7 Ų139.781%0.80779%0.793SS**  trans-143.1110.4152.7-103.9-39.2000110.6
171F44.7Very low45.1Very low196 Ų196142.4 Ų142.486%0.8680%0.8SS**  trans-95.199.9167.3-82-91.6000108.1
172T47.5Very low44.9Very low120 Ų120148.4 Ų148.474%0.73682%0.815SS**  trans-125.7115.1161.146.80000110.2E174T172-E174 PolarHBondContact O-N 3.13Å
173N40.3Very low45.4Very low162 Ų162149.9 Ų149.987%0.86681%0.812SS**  trans-77.7113.1167.4-58.4-62.7000107.3
174E42Very low45.4Very low163 Ų163153.9 Ų153.976%0.76282%0.815SS**  trans-132.3116.6167.2-130-174.8-148.500112.6T172 T176T172-E174 PolarHBondContact O-N 3.13Å; E174-T176 WeakPolarHBondContact CG-OG1 3.27Å; E174-T176 PolarHBondContact O-N 3.47Å; E174-T176 PolarHBondContact OE2-OG1 2.99Å
175S37.7Very low45.3Very low126 Ų126153.9 Ų153.988%0.88182%0.815SS**  trans-84.981.1170.1-64.10000108.5
176T49.6Very low45Very low100 Ų100151.4 Ų151.461%0.61381%0.81SS**  trans-107.3104.8-174.2-56.40000112E174 C178E174-T176 WeakPolarHBondContact CG-OG1 3.27Å; E174-T176 PolarHBondContact O-N 3.47Å; E174-T176 PolarHBondContact OE2-OG1 2.99Å; T176-C178 PolarHBondContact O-N 2.81Å
177T39.8Very low45Very low122 Ų122150.9 Ų150.975%0.74881%0.807SS**  trans-49.7121.9173.3-30.90000112I179T177-I179 PolarHBondContact O-N 2.97Å; T177-I179 VanDerWaalsContact O-N 3.17Å
178C40.1Very low44.8Very low123 Ų123145.7 Ų145.783%0.83179%0.793SS**  trans-78.2101175.2420000111.7T176T176-C178 PolarHBondContact O-N 2.81Å
179I50Low44.6Very low147 Ų147149.9 Ų149.975%0.75480%0.797SS**  trans-86126168.3-63.9176.7000108.8T177T177-I179 PolarHBondContact O-N 2.97Å; T177-I179 VanDerWaalsContact O-N 3.17Å
180N45Very low44.3Very low146 Ų146151.4 Ų151.478%0.78180%0.798SS**  trans-67.2136.7178.1-59.4-59.6000111.6
181N52.4Low44.1Very low155 Ų155149.1 Ų149.183%0.82979%0.794SS**  trans-143.8123.6156.3-95.5-40.3000112
182K44.2Very low43.7Very low211 Ų211144.8 Ų144.892%0.91779%0.788SS**  trans-71.5126172.1-78.2172.2171.5170.40109.6
183I52.3Low43.6Very low149 Ų149144.4 Ų144.476%0.76479%0.791SS**  trans-129.5123.7152.5-62.8-176.2000108.7
184K48.4Very low43.7Very low198 Ų198144.7 Ų144.786%0.86179%0.791SS**  trans-79.4133.1168.6-62173.4177.6179.30108.1
185Q47.7Very low43.7Very low185 Ų185143 Ų14386%0.86480%0.795SS**  trans-155.1133147.4-117.2160.988.300110.4
186T37.8Very low43.8Very low123 Ų123146.4 Ų146.476%0.75579%0.793SS**  trans-79.6144.8174.947.40000109.7
187N46.5Very low43.5Very low156 Ų156147.7 Ų147.783%0.83481%0.806SS**  -169.4145.9122.9-90-17.4000111
188S40.1Very low43.7Very low87 Ų87146.9 Ų146.961%0.60881%0.812SS**  trans-61.6147.6173.849.90000112.4
189F41.3Very low43.5Very low205 Ų205143.9 Ų143.990%0.89980%0.802SS**  -161.9159.2114.9-92.7-62.3000110.9
190I40.1Very low43.1Very low154 Ų154145.1 Ų145.179%0.7981%0.809SS**  trans-98.4138.7-162.7-65.1158.8000110.4
191S39Very low43.3Very low104 Ų104146.9 Ų146.973%0.72781%0.81SS**  176.4116.6128.6-79.10000114.5
192S36.1Very low42.7Very low104 Ų104148.7 Ų148.773%0.72781%0.814SS**  trans22.4109.514357.90000120.9
193S44.2Very low43Very low113 Ų113145.8 Ų145.879%0.7981%0.806SS**  169.7134.710548.60000113.6
194L42.8Very low42.6Very low168 Ų168144.3 Ų144.388%0.8880%0.8SS**  trans16.3112165.3-83.660.1000120.3
195P42Very low43Very low128 Ų128145.6 Ų145.683%0.83180%0.8SS**  trans-86.9128.5152.732.7-28.2000111.7
196K39.9Very low42.9Very low197 Ų197143.5 Ų143.586%0.85779%0.794SS**  trans-72.9162.1164.9-89.5168.8171.6166.50110.9
197S44.1Very low43.2Very low126 Ų126145.9 Ų145.988%0.88180%0.797SS**  trans71.9113.5172.371.90000116.7
198A43.7Very low43Very low106 Ų106142.8 Ų142.888%0.87679%0.793SS**  trans-94.8146.1165.400000110.2
199G34.8Very low43.3Very low59 Ų59150.4 Ų150.461%0.60881%0.808SS**  trans84.257.3149.600000118
200L43.3Very low43.4Very low174 Ų174145.2 Ų145.291%0.91180%0.798SS**  trans-12993.4157-128.2156.8000109.2E202L200-E202 PolarHBondContact O-N 3.32Å
201F48.2Very low43.4Very low183 Ų183147.8 Ų147.880%0.80381%0.806SS**  trans-70.7119-175.1-55-88000110.6I203F201-I203 PolarHBondContact O-N 3.09Å; F201-I203 VanDerWaalsContact O-N 3.11Å
202E41.1Very low43.7Very low193 Ų193147 Ų14790%0.90281%0.806SS**  trans-68105.1168.2-77.2-173.2125.600110.1L200 N204L200-E202 PolarHBondContact O-N 3.32Å; E202-N204 PolarHBondContact O-N 3.35Å; E202-N204 VanDerWaalsContact O-N 3.12Å
203I50.2Low44.2Very low149 Ų149145.7 Ų145.776%0.76480%0.797SS**  trans-77.998.4170.5-58.9175.2000108.2F201 R205F201-I203 PolarHBondContact O-N 3.09Å; F201-I203 VanDerWaalsContact O-N 3.11Å; I203-R205 PolarHBondContact O-N 3.25Å
204N43.9Very low44.2Very low119 Ų119151 Ų15164%0.63680%0.8SS**  trans-58.7116.1168.1-175.6-11.1000109.3E202 N206E202-N204 PolarHBondContact O-N 3.35Å; E202-N204 VanDerWaalsContact O-N 3.12Å; N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 VanDerWaalsContact O-N 3.09Å; N204-N206 WeakPolarHBondContact OD1-CB 3.45Å; N204-N206 VanDerWaalsContact OD1-CG 3.23Å; N204-N206 PolarHBondContact OD1-N 3.25Å; N204-N206 PolarHBondContact OD1-ND2 2.96Å
205R56.3Low44.5Very low225 Ų225147 Ų14785%0.84979%0.786SS**THydrogen-bonded Turntrans-77.27-168.6-64.1-172.3-174.4172.54.4114.8I203I203-R205 PolarHBondContact O-N 3.25Å
206N45.6Very low44.7Very low140 Ų140145.1 Ų145.175%0.74978%0.776SS**THydrogen-bonded Turntrans-95.10.6-163-60.3-4.4000114.1N204N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 VanDerWaalsContact O-N 3.09Å; N204-N206 WeakPolarHBondContact OD1-CB 3.45Å; N204-N206 VanDerWaalsContact OD1-CG 3.23Å; N204-N206 PolarHBondContact OD1-N 3.25Å; N204-N206 PolarHBondContact OD1-ND2 2.96Å
207E44Very low44.8Very low173 Ų173142 Ų14281%0.80876%0.763SS**  trans-118.130.2-172-159.6155.8-165.200113.4R209E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.18Å
208A42Very low45.1Very low92 Ų92143.1 Ų143.176%0.7675%0.754SS**  trans-87.618.4-176.900000115
209R46.4Very low45.5Very low246 Ų246147.3 Ų147.393%0.92875%0.752SS**SBendtrans-141.347.3-176.9-62.8-174.581.3172.75.1113.8E207E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.18Å
210S43.6Very low46.4Very low96 Ų96150.1 Ų150.167%0.67176%0.757SS**SBendtrans-137.7139.1163.1-72.20000109.6A212S210-A212 PolarHBondContact O-N 2.89Å
211E40.4Very low46.5Very low209 Ų209149.1 Ų149.198%0.97775%0.75SS**  trans-76.266.3-173-60.5-178.414900112.2S213E211-S213 PolarHBondContact O-N 3.38Å
212A45.4Very low46.1Very low86 Ų86144.7 Ų144.771%0.71174%0.742SS**  trans-78.8109.9176.700000110.8S210 W214S210-A212 PolarHBondContact O-N 2.89Å; A212-W214 PolarHBondContact O-N 3.35Å
213S45.6Very low46.4Very low78 Ų78140.9 Ų140.955%0.54573%0.734SS.*  trans-43.5133.3172.9175.80000113E211 S215 S216E211-S213 PolarHBondContact O-N 3.38Å; S213-S215 PolarHBondContact O-N 3.41Å; S213-S215 WeakPolarHBondContact OG-CB 3.21Å; S213-S215 PolarHBondContact OG-N 2.94Å; S213-S215 PolarHBondContact OG-OG 3.22Å; S213-S216 PolarHBondContact O-N 3.05Å
214W44.1Very low45.9Very low223 Ų223143.1 Ų143.185%0.84573%0.734SS**G310 helixtrans-57.5-16176.5-69.974.6000113.4A212 S216 F217A212-W214 PolarHBondContact O-N 3.35Å; W214-S216 PolarHBondContact O-N 2.89Å; W214-S216 VanDerWaalsContact O-N 3.09Å; W214-F217 WeakPolarHBondContact O-CD1 3.36Å; W214-F217 PolarHBondContact O-N 3.14Å
215S49.4Very low45.7Very low86 Ų86140.2 Ų140.260%0.60173%0.732SS**G310 helixtrans-62.4-10.9176.563.80000115.5S213S213-S215 PolarHBondContact O-N 3.41Å; S213-S215 WeakPolarHBondContact OG-CB 3.21Å; S213-S215 PolarHBondContact OG-N 2.94Å; S213-S215 PolarHBondContact OG-OG 3.22Å
216S46.8Very low44.9Very low88 Ų88137.8 Ų137.862%0.61574%0.736SS**G310 helixtrans-82.1-25.7179.2-153.90000113.5S213 W214S213-S216 PolarHBondContact O-N 3.05Å; W214-S216 PolarHBondContact O-N 2.89Å; W214-S216 VanDerWaalsContact O-N 3.09Å
217F41.9Very low44.6Very low132 Ų132137.8 Ų137.858%0.57974%0.735SS**G310 helixtrans-78.8-29-172.5111.4-93.3000113.6W214 K219W214-F217 WeakPolarHBondContact O-CD1 3.36Å; W214-F217 PolarHBondContact O-N 3.14Å; F217-K219 PolarHBondContact O-N 3.36Å
218E50.7Low44.2Very low148 Ų148132.9 Ų132.969%0.69272%0.719SS**G310 helixtrans-65.7-23178-66.2-169.8148.400112.9V220E218-V220 VanDerWaalsContact C-N 3.25Å; E218-V220 PolarHBondContact O-N 3.3Å
219K52.6Low44Very low194 Ų194137.1 Ų137.184%0.84373%0.728SS**G310 helixtrans-78.8-1-173.9-152.1170.5-177.2-179.90114.7F217F217-K219 PolarHBondContact O-N 3.36Å
220V52.8Low43.8Very low118 Ų118133.7 Ų133.772%0.71572%0.722SS**G310 helixtrans-1143.6-176-161.70000112.4E218E218-V220 VanDerWaalsContact C-N 3.25Å; E218-V220 PolarHBondContact O-N 3.3Å
221M45.5Very low43.5Very low153 Ų153137 Ų13775%0.75473%0.727SS**SBendtrans-112.218.8-171.2-83.8-74.3137.100115.5
222S39.6Very low43Very low90 Ų90138.3 Ų138.363%0.62972%0.723SS**  trans-122.6110.1177.8-175.90000113.6Y224S222-Y224 PolarHBondContact OG-O 3.21Å
223P48.6Very low42.5Very low114 Ų114145.5 Ų145.574%0.7473%0.731SS**SBendtrans-114.69.1143.837.2-30.6000112
224Y38.9Very low42.3Very low195 Ų195146.9 Ų146.977%0.76574%0.741SS**SBendtrans-110.4122.8173.2-70.2-78.5000109.4S222S222-Y224 PolarHBondContact OG-O 3.21Å
225G40.6Very low41.8Very low58 Ų58142.3 Ų142.360%0.59874%0.738SS**  trans-68.2175.6-167.100000114.9I227G225-I227 VanDerWaalsContact C-N 3.33Å; G225-I227 PolarHBondContact O-N 3.13Å
226N37.7Very low41.4Very low174 Ų174145.7 Ų145.793%0.9375%0.749SS**  trans-58.482.5-176.7-58.7-46.7000113.2S228N226-S228 PolarHBondContact O-N 3.14Å
227I39.1Very low41.1Very low141 Ų141150.5 Ų150.572%0.72376%0.762SS**  trans-74.396.4166.4-61.3156.2000106.3G225 I229G225-I227 VanDerWaalsContact C-N 3.33Å; G225-I227 PolarHBondContact O-N 3.13Å; I227-I229 PolarHBondContact O-N 3.43Å
228S37.3Very low41Very low69 Ų69151.8 Ų151.848%0.48377%0.774SS.*  trans-56.6137.9179.676.50000110.4N226 Q230 E231N226-S228 PolarHBondContact O-N 3.14Å; S228-Q230 PolarHBondContact O-N 3.08Å; S228-E231 PolarHBondContact O-N 3.14Å
229I37.7Very low40.5Very low182 Ų182154.5 Ų154.593%0.93378%0.779SS**THydrogen-bonded Turntrans-72.916.9-178.3-59.7170000111.4I227I227-I229 PolarHBondContact O-N 3.43Å
230Q40.6Very low40.2Very low173 Ų173151.9 Ų151.981%0.80877%0.774SS**THydrogen-bonded Turntrans-113.21.6-176.7-84.6168.5-53.900114.2S228 R232S228-Q230 PolarHBondContact O-N 3.08Å; Q230-R232 PolarHBondContact O-N 3.04Å
231E38.4Very low40.1Very low165 Ų165150 Ų15077%0.77177%0.766SS**  trans-74.2100.7175.7-168.2151.7-155.600111.9S228 R233S228-E231 PolarHBondContact O-N 3.14Å; E231-R233 PolarHBondContact O-N 2.98Å
232R30.8Very low40.5Very low237 Ų237146.9 Ų146.989%0.89476%0.757SS**  trans-52.9125.2-174.8-58.6179.6176.3-156.9-0.9112.6Q230Q230-R232 PolarHBondContact O-N 3.04Å
233R34.3Very low41.2Very low237 Ų237150 Ų15089%0.89477%0.765SS**  trans-106.3138141.8-73.9-17317282.51.5108.7E231E231-R233 PolarHBondContact O-N 2.98Å
234S40.6Very low41.1Very low108 Ų108152.4 Ų152.476%0.75576%0.764SS**  trans-61.5138.6-168.2500000112.8
235V34.6Very low41.8Very low126 Ų126146.5 Ų146.576%0.76475%0.75SS**SBendtrans-47.2149159.7-67.80000110.9
236N39.9Very low42.4Very low158 Ų158150.5 Ų150.585%0.84576%0.763SS**  trans88.538.6-179.9-46.6-29.2000118.1
237Q40.3Very low43.1Very low189 Ų189148.3 Ų148.388%0.88375%0.747SS**  trans-104.2119148.8-89.1-171.2-13.900110.4Y239Q237-Y239 PolarHBondContact O-N 3.23Å
238L40.6Very low43.3Very low158 Ų158151 Ų15183%0.82775%0.748SS**  trans-59.9127.9175.3-71.6165.2000109.6L240L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 HydrophobicContact CB-CD1 4.36Å; L238-L240 PolarHBondContact O-N 2.76Å
239Y40.9Very low43.8Very low205 Ų205153.9 Ų153.980%0.80476%0.758SS**  trans-68.387.3175.9-169.9-93.2000109.5Q237 S241Q237-Y239 PolarHBondContact O-N 3.23Å; Y239-S241 PolarHBondContact O-N 3.02Å
240L46Very low44Very low139 Ų139153 Ų15373%0.72875%0.75SS**  trans-65.5103.8168.8-101.869.1000107.9L238L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 HydrophobicContact CB-CD1 4.36Å; L238-L240 PolarHBondContact O-N 2.76Å
241S49.7Very low44Very low80 Ų80149.3 Ų149.356%0.55974%0.736SS**  trans-50.4137.3169.1-63.10000109.8Y239 I243Y239-S241 PolarHBondContact O-N 3.02Å; S241-I243 PolarHBondContact O-N 3.43Å
242P54.8Low44.4Very low87 Ų87147.3 Ų147.357%0.56573%0.729SS**  trans-57117.6178.821.9-32.9000110.4F244P242-F244 VanDerWaalsContact C-N 3.3Å; P242-F244 HydrophobicContact CB-CD2 4.21Å; P242-F244 HydrophobicContact CB-CE2 3.75Å; P242-F244 HydrophobicContact CB-CZ 4.28Å; P242-F244 HydrophobicContact CG-CD2 4.27Å; P242-F244 HydrophobicContact CG-CE2 3.67Å; P242-F244 HydrophobicContact CG-CZ 4.48Å; P242-F244 WeakPolarHBondContact O-CD2 3.5Å; P242-F244 PolarHBondContact O-N 2.97Å
243I54.3Low44.9Very low155 Ų155143.4 Ų143.480%0.79573%0.726SS**  trans-73.685.8-179.1-58.4173.9000108.2S241S241-I243 PolarHBondContact O-N 3.43Å
244F46.5Very low45.2Very low165 Ų165136.5 Ų136.572%0.72471%0.71SS**  trans-77129.2167.2-69.7-74.2000109.3P242 T246P242-F244 VanDerWaalsContact C-N 3.3Å; P242-F244 HydrophobicContact CB-CD2 4.21Å; P242-F244 HydrophobicContact CB-CE2 3.75Å; P242-F244 HydrophobicContact CB-CZ 4.28Å; P242-F244 HydrophobicContact CG-CD2 4.27Å; P242-F244 HydrophobicContact CG-CE2 3.67Å; P242-F244 HydrophobicContact CG-CZ 4.48Å; P242-F244 WeakPolarHBondContact O-CD2 3.5Å; P242-F244 PolarHBondContact O-N 2.97Å; F244-T246 PolarHBondContact O-N 3Å
245P53.1Low44.9Very low71 Ų71138.1 Ų138.146%0.46171%0.71SS.*  trans-61.5121178.6-21.231.8000111.3H247 W248P245-H247 PolarHBondContact O-N 2.83Å; P245-W248 VanDerWaalsContact O-CD1 3.26Å
246T54.1Low44.9Very low142 Ų142137.1 Ų137.187%0.87171%0.709SS**THydrogen-bonded Turntrans-698.4-171.627.70000115.9F244F244-T246 PolarHBondContact O-N 3Å
247H51.7Low44.5Very low128 Ų128138.8 Ų138.859%0.59371%0.711SS**THydrogen-bonded Turntrans-107.83.8-174.566.6-97.6000115P245 D249P245-H247 PolarHBondContact O-N 2.83Å; H247-D249 VanDerWaalsContact C-N 3.31Å; H247-D249 PolarHBondContact O-N 3.45Å
248W44Very low44.2Very low197 Ų197135.6 Ų135.675%0.74671%0.705SS**THydrogen-bonded Turntrans-77.4-12.1-175.1-74.157.8000114.4P245P245-W248 VanDerWaalsContact O-CD1 3.26Å
249D46.9Very low44.1Very low130 Ų130135.6 Ų135.670%0.69571%0.706SS**THydrogen-bonded Turntrans-101.211.7-175-77.7-30.1000114.7H247H247-D249 VanDerWaalsContact C-N 3.31Å; H247-D249 PolarHBondContact O-N 3.45Å
250Q43Very low43.7Very low163 Ų163132.4 Ų132.476%0.76270%0.702SS**SBendtrans-108.48.2-166.9-69.6-169.1-2.400118
251N40.3Very low43.1Very low96 Ų96135.5 Ų135.551%0.51371%0.71SS.*SBendtrans-143.853.7-173.8-158.28.1000116.1
252I46.9Very low42.6Very low122 Ų122137.5 Ų137.563%0.62672%0.715SS**SBendtrans-123.6-16.7177.4-61.7-176.8000114.2
253N41.2Very low41.8Very low156 Ų156140.1 Ų140.183%0.83472%0.724SS**SBendtrans-118.232.1-172-76.6-10.4000115.8
254T40.5Very low41Very low92 Ų92140 Ų14056%0.56473%0.725SS**  trans-128.949.9-177.449.10000114.1
255N33.3Very low40.6Very low142 Ų142139.8 Ų139.876%0.75973%0.732SS**  trans-147.260.2170.5-94.6-38.5000113.2
256S34.3Very low40Very low105 Ų105145 Ų14573%0.73475%0.749SS**SBendtrans-16775.4165.8510000111.4
257H32.1Very low39.5Very low192 Ų192146.8 Ų146.889%0.88975%0.748SS**  trans165.976.9149.9-92.3-64.9000111
258T34.9Very low39Very low123 Ų123148 Ų14876%0.75575%0.753SS**  trans-143.682.4160.6560000110.2
259N37.9Very low38.9Very low157 Ų157144.1 Ų144.184%0.8475%0.747SS**  trans-15679.4159.2-88.2-17000102.8
260N32.3Very low38.6Very low138 Ų138144 Ų14474%0.73875%0.746SS**  57.261.375.8-148.523.5000112
261F33.9Very low38.5Very low204 Ų204143 Ų14390%0.89575%0.745SS**  trans-109.290.4154-103.8-84.4000107.6
262N37.9Very low38.9Very low123 Ų123147.4 Ų147.466%0.65876%0.759SS**  trans-69.1131.5152.4-77.2-18.1000107.1
263N38Very low38.7Very low142 Ų142149.8 Ų149.876%0.75977%0.768SS**  172.8104.7125.4-84-13.4000110.3
264N38.9Very low38.8Very low151 Ų151149.5 Ų149.581%0.80777%0.765SS**  trans41.999.7135.3-52.2-10.8000117.7
265N38.6Very low39.1Very low162 Ų162151.1 Ų151.187%0.86678%0.775SS**  trans-62.9162.5146.4-70.4-48.6000110.2
266H40.4Very low39.3Very low179 Ų179149.8 Ų149.883%0.82978%0.776SS**  trans94.163160.3-126.485000119.8
267H42.5Very low39.8Very low181 Ų181150.6 Ų150.684%0.83878%0.777SS**  trans-155.8119.4134.7-108.859000106.9
268H41.8Very low40.6Very low154 Ų154147 Ų14771%0.71377%0.771SS**  66.9100.868.9-133-75.2000113.4
269N40.8Very low40.8Very low114 Ų114147 Ų14761%0.6177%0.765SS**  trans77.6131.8147.8-84.134.7000124.3
270D41.1Very low41.4Very low128 Ų128147.5 Ų147.568%0.68477%0.766SS**  trans93.4133.2132-68.4-30.2000123.2
271I42.3Very low41.6Very low141 Ų141146.9 Ų146.972%0.72376%0.763SS**  trans73.896.5155.1-62.3155.3000115.4
272K48.1Very low41.7Very low190 Ų190141.9 Ų141.983%0.82675%0.753SS**  81.2134.878.2-74.8173.2-175.8179.40115
273E41.6Very low41.8Very low171 Ų171141 Ų14180%0.79975%0.752SS**  trans115.790.1158.8-58.6-15514700114.4
274I45.1Very low41.9Very low150 Ų150140.6 Ų140.677%0.76976%0.757SS**  67.6109.385.4-60.3161000112.6
275T44.9Very low41.8Very low127 Ų127143.8 Ų143.878%0.77976%0.76SS**  trans-166.8113.2135.2-76.40000110.7
276S38.3Very low42Very low113 Ų113142.9 Ų142.979%0.7976%0.755SS**  trans54.7109.3150.3-530000122.4
277T44.4Very low41.8Very low122 Ų122141.5 Ų141.575%0.74875%0.75SS**  trans-108.1167.6148.157.20000110.1
278P49.1Very low41.5Very low117 Ų117139.2 Ų139.276%0.7674%0.743SS**  -135.7122.3109.534.1-22.4000111.6
279I40.2Very low41.4Very low122 Ų122139.5 Ų139.563%0.62675%0.75SS**  59102.489.1-57.4170.4000113.2
280I49.5Very low41.5Very low168 Ų168139 Ų13986%0.86275%0.752SS**  trans-125.7102.3146-57.1178000106.4
281N36.3Very low41.3Very low126 Ų126141.6 Ų141.667%0.67476%0.764SS**  trans-75.1150.7163.1-64.5-28.9000107.2
282S36.5Very low41.1Very low98 Ų98138.1 Ų138.169%0.68576%0.764SS**  -172.1147.872.3-61.90000113.1
283T40.7Very low40.6Very low105 Ų105138.5 Ų138.564%0.64477%0.768SS**  trans54.1116.7146.253.70000120.8
284P40.1Very low40.3Very low134 Ų134138 Ų13887%0.8777%0.771SS**  trans-79.3131.9154.433.3-29.3000110
285Y36.1Very low40Very low218 Ų218139.6 Ų139.686%0.85578%0.775SS**  trans-98.6130.5170.6-106-87.4000111.2
286N42Very low39.6Very low143 Ų143144.3 Ų144.377%0.76578%0.779SS**  trans-105.7149.2175.7-129.1-14.5000108.7
287M36.3Very low39.9Very low150 Ų150144.5 Ų144.574%0.73978%0.777SS**  trans73123.5156.2-62.4-67.7-90.200120.8
288I37.2Very low39.5Very low133 Ų133144.2 Ų144.268%0.68278%0.775SS**  trans72.7123.7143.2-60.1163.8000118.2
289N38.4Very low39.3Very low160 Ų160145 Ų14586%0.85678%0.778SS**  trans-150.8158145.6-115.9-4.3000109.5
290P44.3Very low39.1Very low102 Ų102146.7 Ų146.766%0.66278%0.783SS**  -133.5175.8-119.335.7-16.2000114.7
291I35.3Very low38.6Very low183 Ų183146.2 Ų146.294%0.93878%0.781SS**  trans-130120.5161.3-90.2164.9000107.1
292G39.1Very low38.5Very low69 Ų69147.4 Ų147.471%0.71179%0.787SS**  trans179.666.9-168.100000113.5
293Q36.8Very low38.6Very low197 Ų197146.7 Ų146.792%0.92178%0.782SS**  trans40.3110.8156.5-54.4-156.9-21.600119.7
294D35.3Very low38.5Very low160 Ų160148.5 Ų148.586%0.85679%0.787SS**  trans-71.7135.9156.3-74.3-59.9000111.1
295E40.1Very low38.3Very low184 Ų184147.5 Ų147.586%0.8678%0.779SS**  trans-144.7135.1146-95.7-57.3163.500108.9
296R35.1Very low38.6Very low227 Ų227142.4 Ų142.486%0.85778%0.776SS**  trans-101.8158.8-173.3-71176.3172.2178.9-2.9111.6
297P44.4Very low38.4Very low116 Ų116140.6 Ų140.675%0.75377%0.774SS**  trans-98.6119.6154.632.5-24.8000112.7
298V36.6Very low38.5Very low117 Ų117137.9 Ų137.971%0.70977%0.77SS**  trans52112.8134-169.70000119.5
299T44.2Very low38.5Very low133 Ų133141.5 Ų141.582%0.81678%0.781SS**  -166.4136.4108.632.30000112.5
300H36.8Very low38.6Very low158 Ų158138.2 Ų138.273%0.73177%0.767SS**  trans-39.8142.5174.9-48.1-96.8000117.1
301L38.2Very low38.4Very low157 Ų157140.3 Ų140.382%0.82277%0.768SS**  177.8154.498.6-87.2173000112.6
302L35.3Very low38.6Very low152 Ų152140.2 Ų140.280%0.79676%0.761SS**  trans-23.9157167.6-79.561.5000117.9
303S39.2Very low38.5Very low82 Ų82141.8 Ų141.857%0.57376%0.761SS**  cis178.2158.7-651.80000110.1
304N36.7Very low38.7Very low143 Ų143137.6 Ų137.677%0.76575%0.753SS**  trans69.5146154.4-62.8-4.3000117.4
305T37.6Very low39Very low114 Ų114137.3 Ų137.370%0.69975%0.752SS**  cis-166.1150.82.111.40000110.2
306S40.7Very low39.3Very low111 Ų111133.6 Ų133.678%0.77675%0.746SS**  trans54.9145.5151.656.20000120.4
307S39.6Very low39.4Very low105 Ų105125.8 Ų125.873%0.73474%0.736SS**  cis-161.2132.82.142.60000111.4
308S38.1Very low39.2Very low92 Ų92131.5 Ų131.564%0.64374%0.744SS**  35.4121.8123.5-1640000121
309F36.3Very low39.5Very low209 Ų209133.2 Ų133.292%0.91775%0.75SS**  -146.6143115.3-125.9-86.8000110.2
310T40.6Very low39.3Very low91 Ų91132.3 Ų132.356%0.55875%0.748SS**  trans-109.4176.4-162.3400000114.4
311E40Very low39.5Very low146 Ų146130 Ų13068%0.68275%0.75SS**  trans79.2147.1159.1-72.6141.5-103.600118.5
312F39.4Very low39.5Very low182 Ų182132.3 Ų132.380%0.79875%0.753SS**  cis-135.4136.81-115.1-58.9000113
313S38.1Very low39.8Very low101 Ų101129.7 Ų129.771%0.70675%0.748SS**  trans-54.4171149.5-65.90000112.7
314S40.1Very low39.8Very low110 Ų110135.5 Ų135.577%0.76977%0.766SS**  cis179.8130.7-22.1-82.90000104.6
315D41.7Very low39.9Very low154 Ų154136.7 Ų136.782%0.82477%0.771SS**  trans-155155.6155.1-142.7-26.1000113.3
316S46Very low40Very low105 Ų105138.3 Ų138.373%0.73477%0.771SS**  trans-43.1154.6170.355.50000114.8
317G38.6Very low39.8Very low63 Ų63142.8 Ų142.865%0.64978%0.777SS**  cis123.291.212.400000110.1
318Y39.7Very low39.6Very low237 Ų237145.3 Ų145.393%0.92978%0.781SS**  trans-151121.1166.6-107.2-77.6000110.2
319D42.6Very low39.6Very low153 Ų153144.9 Ų144.982%0.81878%0.779SS**  trans-98.2121.7170-179.911.1000108.8
320S41.1Very low39.9Very low113 Ų113144.6 Ų144.679%0.7978%0.777SS**  trans-161.5139.6160.8-143.10000113.1
321S39.2Very low39.9Very low109 Ų109147.9 Ų147.976%0.76279%0.789SS**  trans-91.2112.7-166.3-240000112.7
322K40Very low39.5Very low206 Ų206145.7 Ų145.790%0.89679%0.79SS**  trans179.3108.3156.9-109.3170.3179.1-179.20112.7
323S41Very low39.4Very low97 Ų97144.1 Ų144.168%0.67879%0.79SS**  trans-178.728.8153.5520000116L325S323-L325 PolarHBondContact O-N 2.86Å
324Q38.4Very low39.3Very low205 Ų205147.3 Ų147.396%0.95879%0.793SS**THydrogen-bonded Turntrans-8017.7168.5-79.1-113.7-24.100113.9
325L38.9Very low39.3Very low167 Ų167153.2 Ų153.287%0.87480%0.8SS**THydrogen-bonded Turntrans-122.213.6-179.7-94173.9000114.5S323S323-L325 PolarHBondContact O-N 2.86Å
326E39.7Very low39.3Very low149 Ų149150.7 Ų150.770%0.69680%0.801SS**SBendtrans-1163.1-174.8-97.7-173.8143.500116.8S329E326-S329 PolarHBondContact O-OG 3.04Å
327F36.8Very low39.1Very low205 Ų205153 Ų15390%0.89981%0.805SS**THydrogen-bonded Turntrans-92.16.2174.5-139.8-96.3000114.7
328L36.3Very low39.4Very low157 Ų157155.1 Ų155.182%0.82281%0.807SS**THydrogen-bonded Turntrans-11712.1179.8-65.8179000114.2
329S37.3Very low39.6Very low84 Ų84149.2 Ų149.259%0.58780%0.795SS**SBendtrans-95.20.2179.459.20000115E326E326-S329 PolarHBondContact O-OG 3.04Å
330K42.1Very low39.2Very low203 Ų203153.6 Ų153.688%0.88380%0.801SS**SBendtrans-110.811.5-178.6-84.7-178.3175.9175.20115.9
331I40Very low39.3Very low159 Ų159158 Ų15882%0.81580%0.801SS**  trans-122.463.7169.9-45.1179000109.4
332S32.5Very low39.1Very low100 Ų100160.8 Ų160.870%0.69981%0.808SS**  trans-136.679.5170.5175.10000109.1
333N37.7Very low39.1Very low150 Ų150158 Ų15880%0.80281%0.808SS**SBendtrans-164.7143.8156.6-91-35.2000109.7
334H36.2Very low38.9Very low167 Ų167156.6 Ų156.677%0.77381%0.809SS**  trans6765.2173.7-64.5-76.9000119.8
335Y38.7Very low39Very low234 Ų234153 Ų15392%0.91881%0.805SS**  trans-136.890135.8-74.2-68.3000110.4L337Y335-L337 PolarHBondContact O-N 3.47Å
336A42.3Very low38.9Very low102 Ų102152.7 Ų152.784%0.84380%0.801SS**  trans-82.4106.4172.400000109.8
337L42.3Very low39Very low153 Ų153151.8 Ų151.880%0.80181%0.808SS**  trans-86.1128.6168.1-70.4169.7000109.1Y335 T339Y335-L337 PolarHBondContact O-N 3.47Å; L337-T339 PolarHBondContact O-N 3.41Å
338P43.8Very low39.1Very low108 Ų108147.9 Ų147.970%0.70180%0.801SS**  trans-68.299.9176-20.733.5000111.8W340P338-W340 PolarHBondContact O-N 3.39Å
339T44.3Very low39.4Very low112 Ų112147.6 Ų147.669%0.68781%0.806SS**  trans-70.1107.1167.940.60000110.7L337 Y341L337-T339 PolarHBondContact O-N 3.41Å; T339-Y341 HydrophobicContact CG2-CD2 4.3Å; T339-Y341 HydrophobicContact CG2-CE2 4.15Å
340W34.2Very low39.2Very low245 Ų245148.9 Ų148.993%0.92882%0.815SS**  trans-93.593.6166-75.650.3000108.7P338P338-W340 PolarHBondContact O-N 3.39Å
341Y42.9Very low39.1Very low205 Ų205146 Ų14680%0.80481%0.814SS**  trans-109.7140.2169.7-82-76.4000110.9T339T339-Y341 HydrophobicContact CG2-CD2 4.3Å; T339-Y341 HydrophobicContact CG2-CE2 4.15Å
342N35.2Very low39Very low169 Ų169142.7 Ų142.790%0.90481%0.805SS**  trans-38.1127.6179.9-82-28.3000115.8
343V39.9Very low39.3Very low148 Ų148142.7 Ų142.790%0.89781%0.805SS**  trans-138.1125.5153.3-172.20000106.6
344G38.5Very low39.3Very low67 Ų67144.5 Ų144.569%0.69181%0.806SS**  cis-164.4177.1-3.200000112.1
345C38.9Very low39.5Very low130 Ų130141 Ų14188%0.87880%0.801SS**  trans-85.4138.3174.2-66.20000111.7
346M38.1Very low39.4Very low160 Ų160137.2 Ų137.279%0.78880%0.796SS**  trans24.5144.5147.9-56.9-69.39400120.4
347P41.9Very low39.5Very low130 Ų130137.3 Ų137.384%0.84479%0.788SS**  -131.8160.9100.736.3-28.3000115.2
348T38.4Very low39.4Very low123 Ų123137.4 Ų137.476%0.75579%0.789SS**  trans-82.4140.1-177.950.50000113.6
349T41.8Very low39.2Very low151 Ų151138.1 Ų138.193%0.92679%0.79SS**  trans-146.4152.7146.3430000111.1
350S32.8Very low39Very low110 Ų110136.5 Ų136.577%0.76978%0.784SS**  trans-124.7132.2-165.252.90000112.4
351V40.3Very low39Very low142 Ų142132.2 Ų132.286%0.86178%0.779SS**  trans-174144.5151.6-95.60000107
352S37.6Very low38.8Very low91 Ų91127.3 Ų127.364%0.63678%0.775SS**  cis166.8129.1-22.947.50000105
353S39.4Very low39Very low99 Ų99123.3 Ų123.369%0.69276%0.76SS**  trans69.8144.4163.5-39.30000116.1
354F38.2Very low38.8Very low188 Ų188123.4 Ų123.483%0.82576%0.756SS**  cis-138.914421.3-90.3-92.3000113.5
355S40.9Very low38.6Very low95 Ų95124.4 Ų124.466%0.66475%0.752SS**  trans34.5148.3131-55.30000122.8
356N35.2Very low38.5Very low154 Ų154124.3 Ų124.382%0.82475%0.748SS**  cis-170.2168.8-28.2-119-2.1000108.2
357P44.7Very low38.5Very low104 Ų104121.1 Ų121.168%0.67574%0.741SS**  trans-103.6-177-165.741.7-37.8000114.1
358L40Very low38.5Very low155 Ų155123.5 Ų123.581%0.81274%0.738SS**  trans-170.6127.8140.7-117.969.5000107.9
359V40.2Very low38.2Very low122 Ų122124.6 Ų124.674%0.73974%0.739SS**  76.4134.388.9156.40000112.6
360S40.3Very low37.8Very low79 Ų79126.5 Ų126.555%0.55274%0.738SS**  cis-176157.72.449.90000112.8
361N34.3Very low37.8Very low154 Ų154125.3 Ų125.382%0.82473%0.729SS**  trans57.7157.1144.4-52.9-7.8000118.5
362S37.7Very low37.5Very low102 Ų102124.7 Ų124.771%0.71373%0.726SS**  cis-150.8168.83.1-151.20000111.5
363S39Very low37.2Very low86 Ų86127.2 Ų127.260%0.60173%0.732SS**  trans-5.6150.3150600000119.1
364D37.4Very low37.1Very low149 Ų149129.4 Ų129.480%0.79774%0.735SS**  -163.8173.952.4-124.6-49.5000116.6
365S32.7Very low37.1Very low89 Ų89127.2 Ų127.262%0.62273%0.732SS**  trans-92.6153.3-175.663.90000114.8
366T38.2Very low36.9Very low127 Ų127129.5 Ų129.578%0.77974%0.742SS**  170.9116.6119.433.70000116.6
367S37.1Very low37.3Very low93 Ų93126.8 Ų126.865%0.6574%0.735SS**  67.8137.9128.396.40000124.6
368K41.8Very low37.3Very low180 Ų180130.3 Ų130.378%0.78374%0.742SS**  trans83101.2143.6-69165.8-175.7172.90121.7
369N32.1Very low37.3Very low146 Ų146130.1 Ų130.178%0.78174%0.741SS**  49.294.6117.9-59.5-5.6000120.1
370Q33.3Very low37.4Very low191 Ų191131.7 Ų131.789%0.89374%0.74SS**  trans-175.9150140.1-104.7154.597.400106.2
371S33.5Very low37.5Very low85 Ų85139.9 Ų139.959%0.59476%0.759SS**  cis171.1121.9-14.445.50000104.2
372V33.7Very low37.8Very low129 Ų129139.9 Ų139.978%0.78276%0.759SS**  trans62.6139.8152.6-161.40000118.4
373L32.7Very low38.1Very low145 Ų145141.6 Ų141.676%0.75976%0.759SS**  trans81.5150174.4-48.1-177.6000117.1
374N36.6Very low38.3Very low144 Ų144144.5 Ų144.577%0.7777%0.768SS**  trans74121.2174.6-44.6-29.6000113.1
375N37.1Very low38.8Very low143 Ų143145.6 Ų145.677%0.76577%0.773SS**  cis-136.5122.830.1-72.6-55000113.9S377N375-S377 PolarHBondContact O-N 3Å
376V37.6Very low39.3Very low143 Ų143148.8 Ų148.887%0.86778%0.784SS**  trans-78.2108.9160.6174.60000107.4
377S43.7Very low39.8Very low97 Ų97149.8 Ų149.868%0.67878%0.784SS**  trans-148.19.8-177.2-48.60000115.5N375N375-S377 PolarHBondContact O-N 3Å
378H44.5Very low40.2Very low177 Ų177155.2 Ų155.282%0.81979%0.792SS**SBendtrans-135.519.3-171.3-153.2-81.1000114.8
379L41Very low40.1Very low151 Ų151155.4 Ų155.479%0.79180%0.798SS**  trans-132.419.1-178.6-69.1176.6000114.1
380Q41.5Very low40.9Very low155 Ų155153 Ų15372%0.72479%0.792SS**  trans-87-0.8-177.2-163.854.26500114.4
381W42.8Very low41.7Very low252 Ų252154 Ų15496%0.95579%0.794SS**SBendtrans-9620-172.2-83.5102000115.2
382L39.4Very low42.1Very low154 Ų154157.4 Ų157.481%0.80681%0.805SS**SBendtrans-130.66.3-172-96.8172000116.5
383L43.7Very low42.5Very low138 Ų138159 Ų15972%0.72381%0.809SS**SBendtrans-138.1138170-70.593.5000109.3
384N44.1Very low43.5Very low147 Ų147155.6 Ų155.679%0.78681%0.809SS**  trans99.883.8-176.9-53.9-16.9000114.8
385D46.8Very low44Very low171 Ų171159.3 Ų159.391%0.91484%0.837SS**  trans-157.141.8143.6-100.6-24.2000110.9N387D385-N387 PolarHBondContact O-N 3.5Å; D385-N387 VanDerWaalsContact O-N 3.14Å
386D44.6Very low44.3Very low157 Ų157160.2 Ų160.284%0.8484%0.84SS**  trans-79.380.9166.7-75.3-47.8000109.7
387N49.2Very low44.7Very low147 Ų147161.1 Ų161.179%0.78684%0.839SS**  trans174.3104.2155.2-101.2-61.3000112.3D385D385-N387 PolarHBondContact O-N 3.5Å; D385-N387 VanDerWaalsContact O-N 3.14Å
388Y44.8Very low44.7Very low207 Ų207164.6 Ų164.681%0.81285%0.848SS**  -177.979.9119.5-126.4-102.3000112.6
389M39.1Very low44.7Very low184 Ų184163.9 Ų163.991%0.90685%0.85SS**  trans-88.7102.1158.5-84.3-73.9129.100108.6
390S48.7Very low45Very low96 Ų96164.7 Ų164.767%0.67185%0.853SS**  trans177.2100.6158.2-86.10000113.2
391K49.5Very low45.2Very low211 Ų211165.3 Ų165.392%0.91786%0.862SS**  171.199.5127.1-95.7172.1179.5-179.40111.5
392L42.8Very low45.4Very low158 Ų158159.1 Ų159.183%0.82786%0.855SS**  trans-91.5154.1153.4-72.3165.5000108.6
393N43.2Very low45.8Very low163 Ų163159.5 Ų159.587%0.87286%0.859SS**  trans80.1136163-52.9-19.6000119.3
394G52.5Low46Very low73 Ų73161.3 Ų161.375%0.75387%0.871SS**  trans90.2114179.600000112.2
395T46.7Very low46.2Very low222 Ų222162.6 Ų162.6100%1.36288%0.878SS**  cis-149.209.132.30000110.1

Retrieved 395 of 395 residues in 205.2 ms (Link to these results)