A0A023GPN3_DROME Loading...

Structure-specific endonuclease subunit SLX4

AlphaFold DB , UniProt , Accession A0A023GPN3, Species DROME (Drosophila melanogaster, Fruit fly), Gene mus312, Length 1,149 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
1M53.3Low60.9Low156 Ų156142.7 Ų142.777%0.76864%0.642SS**  094.10-86.2-65-82.500108.7T5 N9M1-T5 HydrophobicContact CE-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.54Å; M1-T5 VanDerWaalsContact SD-CG2 3.54Å; M1-N9 HydrophobicContact CE-CB 4.48Å
2D61.6Low59.8Low101 Ų101141.8 Ų141.854%0.5465%0.647SS.*  trans-82.2169.6-175.7176.146.5000111.9K4 T5 R6D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 PolarHBondContact OD2-N 2.98Å; D2-T5 PolarHBondContact N-OG1 3.36Å; D2-T5 CarbonylContact O-C 3.6Å; D2-T5 WeakPolarHBondContact O-CA 3.39Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 PolarHBondContact O-OG1 3.28Å; D2-R6 PolarHBondContact O-N 2.94Å
3R58Low58.7Low214 Ų214141.6 Ų141.681%0.80865%0.654SS**Hα-helixtrans-58.9-35.2-179.6-162.1173.2-175.3177.40112.2R7R3-R7 PolarHBondContact O-N 2.82Å
4K65.7Low57.8Low176 Ų176143.4 Ų143.477%0.76566%0.662SS**Hα-helixtrans-67.2-44.8170.4-71.1-175.7178.2-1790111.5D2 R6 R7 A8D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 PolarHBondContact OD2-N 2.98Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 3.47Å; K4-R7 PolarHBondContact O-N 3.04Å; K4-A8 PolarHBondContact O-N 3.27Å
5T67.9Low56.5Low58 Ų58141.3 Ų141.336%0.35667%0.667SS.*Hα-helixtrans-64.4-33.4179.5-16.70000112.9M1 D2 N9M1-T5 HydrophobicContact CE-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.54Å; M1-T5 VanDerWaalsContact SD-CG2 3.54Å; D2-T5 PolarHBondContact N-OG1 3.36Å; D2-T5 CarbonylContact O-C 3.6Å; D2-T5 WeakPolarHBondContact O-CA 3.39Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 PolarHBondContact O-OG1 3.28Å; T5-N9 PolarHBondContact O-N 3.17Å; T5-N9 VanDerWaalsContact O-N 3.12Å; T5-N9 PolarHBondContact O-ND2 3.17Å
6R67.4Low55.5Low174 Ų174147.9 Ų147.966%0.65768%0.683SS**Hα-helixtrans-65.8-43.7171.9-74.2-169.6-176.5-175.72112.4D2 K4 N9 F10D2-R6 PolarHBondContact O-N 2.94Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 3.47Å; R6-N9 PolarHBondContact O-N 3.42Å; R6-F10 PolarHBondContact O-N 3.49Å
7R62.5Low54.2Low209 Ų209148.9 Ų148.979%0.78969%0.694SS**Hα-helixtrans-61.6-43.1175.8-91.1-174.5166-179.6-5.1112R3 K4 F10 K11R3-R7 PolarHBondContact O-N 2.82Å; K4-R7 PolarHBondContact O-N 3.04Å; R7-F10 PolarHBondContact O-N 2.61Å; R7-K11 PolarHBondContact O-N 2.96Å; R7-K11 VanDerWaalsContact O-N 3.14Å
8A64.1Low53.3Low52 Ų52147.4 Ų147.443%0.4370%0.697SS.*Hα-helixtrans-60.8-47.8176.400000112.3K4 F10 K11 N12K4-A8 PolarHBondContact O-N 3.27Å; A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 PolarHBondContact O-N 3.16Å; A8-K11 PolarHBondContact O-N 3.15Å; A8-K11 VanDerWaalsContact O-N 3.16Å; A8-N12 PolarHBondContact O-N 3.18Å
9N59Low52.4Low75 Ų75152.2 Ų152.240%0.40171%0.708SS.*Hα-helixtrans-66.8-32.9178.7-80.1-93.7000112.8M1 T5 R6 K11 N12 L13M1-N9 HydrophobicContact CE-CB 4.48Å; T5-N9 PolarHBondContact O-N 3.17Å; T5-N9 VanDerWaalsContact O-N 3.12Å; T5-N9 PolarHBondContact O-ND2 3.17Å; R6-N9 PolarHBondContact O-N 3.42Å; N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 3.25Å; N9-N12 PolarHBondContact O-N 3.15Å; N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 3.48Å
10F55.4Low51.2Low169 Ų169150.6 Ų150.674%0.74171%0.714SS**Hα-helixtrans-65.3-34172.7-114.4-92.5000112.9R6 R7 A8 N12R6-F10 PolarHBondContact O-N 3.49Å; R7-F10 PolarHBondContact O-N 2.61Å; A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 PolarHBondContact O-N 3.16Å; F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 3.32Å
11K55Low50.9Low186 Ų186149 Ų14981%0.80972%0.715SS**Hα-helixtrans-70.7-23.6176.1-143.5-178.9-175.4-171.20112.7R7 A8 N9R7-K11 PolarHBondContact O-N 2.96Å; R7-K11 VanDerWaalsContact O-N 3.14Å; A8-K11 PolarHBondContact O-N 3.15Å; A8-K11 VanDerWaalsContact O-N 3.16Å; N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 3.25Å
12N47.9Very low49.8Very low132 Ų132151.3 Ų151.371%0.70672%0.72SS**THydrogen-bonded Turntrans-94.71.7-180-66.94.2000114.3A8 N9 F10A8-N12 PolarHBondContact O-N 3.18Å; N9-N12 PolarHBondContact O-N 3.15Å; F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 3.32Å
13L44.9Very low48.9Very low139 Ų139151.5 Ų151.573%0.72874%0.736SS**SBendtrans-113.413-175.3-77.1172.6000114.3N9N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 3.48Å
14Q47Very low47.6Very low166 Ų166145.3 Ų145.378%0.77673%0.731SS**SBendtrans-93.1137.8166.8-67.5-160-35.100110.7
15P37.1Very low46.4Very low112 Ų112141.9 Ų141.973%0.72774%0.735SS**  trans-71.7132.7-176.928.9-34.2000111.3L17P15-L17 PolarHBondContact O-N 3.25Å; P15-L17 VanDerWaalsContact O-N 3.16Å
16R40.8Very low44.8Very low247 Ų247146.2 Ų146.293%0.93276%0.756SS**  trans-66.8108.2161.6-75.9-178.1170.3-175.4-4.9108.1T18R16-T18 PolarHBondContact O-N 3.25Å
17L33.7Very low43.6Very low165 Ų165143.3 Ų143.386%0.86476%0.758SS**  trans-78.9113.9172.8-88167.3000109.9P15P15-L17 PolarHBondContact O-N 3.25Å; P15-L17 VanDerWaalsContact O-N 3.16Å
18T38.3Very low43Very low123 Ų123139.8 Ų139.876%0.75575%0.754SS**  trans-78.3134.2169.548.30000110.6R16R16-T18 PolarHBondContact O-N 3.25Å
19R35.8Very low42Very low238 Ų238139.1 Ų139.190%0.89875%0.746SS**  trans4.3111.3156.9-168.9-177-167.4-175.25.6116.1
20S29.1Very low41.4Very low119 Ų119138.3 Ų138.383%0.83274%0.742SS**  trans-129.9133.1162.3-174.40000109.2
21T43.9Very low41.1Very low119 Ų119133.7 Ų133.773%0.7373%0.73SS**  trans-102.7106.7-170.848.60000111.7
22K31.4Very low40.9Very low203 Ų203130.6 Ų130.688%0.88372%0.722SS**  trans-153129.1155.5-154.1167.7-173.8177.70109.2
23A41.7Very low40.7Very low105 Ų105131.8 Ų131.887%0.86872%0.722SS**  trans-67.2144.3-179.600000111.2
24A31.8Very low40.6Very low85 Ų85131.3 Ų131.370%0.70271%0.714SS**  trans-124.5151167.600000107.5D26A24-D26 PolarHBondContact O-N 3.08Å
25A38.9Very low40Very low103 Ų103127.3 Ų127.385%0.85171%0.709SS**  trans-67.9127.6-174.400000111.5T27A25-T27 PolarHBondContact O-N 3.21Å
26D36Very low39.8Very low150 Ų150128.1 Ų128.180%0.80271%0.712SS**  trans-68.1127.5-178.9-63.1-63.4000111.8A24A24-D26 PolarHBondContact O-N 3.08Å
27T41.7Very low39.6Very low112 Ų112122.1 Ų122.169%0.68771%0.705SS**  trans-84.4111.2166.6500000109A25 S29A25-T27 PolarHBondContact O-N 3.21Å; T27-S29 PolarHBondContact O-N 3.15Å
28L50.4Low39.5Very low135 Ų135123.4 Ų123.471%0.70771%0.707SS**  trans-67.5109.7178.2-61.1172.7000110.6
29S43.1Very low39.2Very low39 Ų39125.4 Ų125.427%0.27371%0.713SS.*  trans-127145.1163.4163.30000107.6T27 S31 N32 E340T27-S29 PolarHBondContact O-N 3.15Å; S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S29-N32 PolarHBondContact O-N 3.19Å; S29-E340 VanDerWaalsContact OG-CD 3.27Å; S29-E340 PolarHBondContact OG-OE1 2.84Å; S29-E340 PolarHBondContact OG-OE2 3.49Å
30L46.3Very low39Very low58 Ų58118.8 Ų118.830%0.30471%0.709SS.*G310 helixtrans-64.7-31-174.3-71160.7000111.7N32 F33 F34 E340 L341L30-N32 PolarHBondContact O-N 3Å; L30-F33 PolarHBondContact O-N 3Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-E340 HydrophobicContact CB-CG 4.28Å; L30-E340 HydrophobicContact CD1-CG 4.32Å; L30-E340 PolarHBondContact N-OE1 3.23Å; L30-E340 PolarHBondContact N-OE2 3.25Å; L30-L341 HydrophobicContact CD1-CD2 3.79Å; L30-L341 HydrophobicContact CD1-CG 4.07Å
31S48.8Very low39Very low71 Ų71122.2 Ų122.250%0.49771%0.712SS.*G310 helixtrans-46.5-29.5172.259.90000115.8S29 E340S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S31-E340 PolarHBondContact N-OE1 3.15Å
32N51.4Low38.3Very low121 Ų121125 Ų12565%0.64772%0.717SS**G310 helixtrans-79.1-13.2177.7-75.5-30.5000114.5S29 L30S29-N32 PolarHBondContact O-N 3.19Å; L30-N32 PolarHBondContact O-N 3Å
33F43.8Very low38.2Very low158 Ų158121.4 Ų121.469%0.69371%0.711SS**THydrogen-bonded Turntrans-92.8-21.5-176.9-79.7-91000114.2L30L30-F33 PolarHBondContact O-N 3Å
34F40.9Very low37.9Very low129 Ų129122.3 Ų122.357%0.56671%0.708SS**SBendtrans-93.5-0.8-176.7-69.3-80.7000114.5L30 T36L30-F34 WeakPolarHBondContact O-CD2 3.47Å; F34-T36 PolarHBondContact O-N 3.22Å
35A35.8Very low37.6Very low81 Ų81123.4 Ų123.467%0.66971%0.711SS**  trans-84.891.5-179.500000112.2
36T31.5Very low36.8Very low130 Ų130124.3 Ų124.380%0.79871%0.71SS**PPolyproline II helixtrans-72.8134.9168.844.40000111.6F34F34-T36 PolarHBondContact O-N 3.22Å
37P38Very low36.4Very low120 Ų120125 Ų12578%0.77971%0.712SS**PPolyproline II helixtrans-81.6133.8173.132.3-32.4000111.4
38E32Very low35.6Very low193 Ų193123.5 Ų123.590%0.90271%0.711SS**PPolyproline II helixtrans-67.1150.1167.6-73.6-173.5115.900111.6
39N31.5Very low34.3Very low164 Ų164124.6 Ų124.688%0.87772%0.718SS**PPolyproline II helixtrans-69.6145.8-175-67.5-66.2000112.8
40A30.5Very low33.5Very low99 Ų99130.4 Ų130.482%0.81874%0.744SS**  trans-132.5110.5167.800000109.3
41E30Very low33.4Very low192 Ų192132.9 Ų132.990%0.89776%0.764SS**  trans-90.1137.8170.4-64.7-173130.500110.2
42E28.3Very low32.4Very low178 Ų178135.3 Ų135.383%0.83278%0.776SS**  trans-80.8163.1160.7-52-172.8134.200108
43V30.1Very low31.4Very low127 Ų127136.1 Ų136.177%0.7778%0.775SS**  cis-166.1-168.638.4-126.90000106.9
44P35.6Very low31.2Very low123 Ų123134 Ų13480%0.79978%0.777SS**  cis-120.8-142.4-36.136-17.2000110.7
45S25.1Very low30.6Very low109 Ų109133.4 Ų133.476%0.76278%0.78SS**  trans-109.7162.4-158.2-470000117.4
46C23Very low31.5Very low122 Ų122134.9 Ų134.982%0.82478%0.783SS**  trans98.6138.6141.9-72.90000123
47L26.3Very low32.3Very low164 Ų164134.7 Ų134.786%0.85978%0.784SS**  trans77.7103.5154.9-67.2171.9000122.5
48A25.6Very low32Very low81 Ų81133.4 Ų133.467%0.66978%0.783SS**  69146.3115.300000124.4
49D23.8Very low32.6Very low158 Ų158128.9 Ų128.985%0.84577%0.771SS**  trans79.1165.8156.4-62.5-26.5000122.2
50I25.1Very low32.6Very low160 Ų160129.9 Ų129.982%0.82177%0.767SS**  trans-143.8-176.6-159.3-1.1173.6000107.3
51P44.6Very low32.7Very low111 Ų111132.7 Ų132.772%0.72177%0.767SS**  cis-136.5-155.1-14.139.2-17.5000113.7
52V26.8Very low32.7Very low122 Ų122132.6 Ų132.674%0.73976%0.763SS**  trans132.7107150.6169.80000111.3
53Q30.4Very low33.6Very low137 Ų137129.7 Ų129.764%0.6476%0.76SS**  74.7153.675.3-100.6-161.2-25.300115.1D55Q53-D55 PolarHBondContact NE2-OD1 2.81Å; Q53-D55 PolarHBondContact NE2-OD2 3.48Å
54P41.1Very low33.8Very low114 Ų114130 Ų13074%0.7476%0.756SS**  cis-138.1143.928.839.5-20000120.5
55D28.1Very low33.7Very low117 Ų117135.2 Ų135.263%0.62676%0.76SS**  21164.3115.7-79.343.8000123.7Q53Q53-D55 PolarHBondContact NE2-OD1 2.81Å; Q53-D55 PolarHBondContact NE2-OD2 3.48Å
56P55.4Low34.2Very low111 Ų111135.9 Ų135.972%0.72176%0.759SS**  cis-136.8-148.3-31.944.5-24.7000110.8
57P47.3Very low34.7Very low126 Ų126134.4 Ų134.482%0.81875%0.75SS**  cis-128.7179.237.331.2-7.1000116.5
58A31.1Very low35Very low93 Ų93133.9 Ų133.977%0.76975%0.749SS**  trans-106.3-159-171.500000112.6
59P44.7Very low35.4Very low98 Ų98135.7 Ų135.764%0.63675%0.751SS**  cis-153.7-177.926.547.2-25.6000120.6
60K32Very low35.8Very low186 Ų186136.5 Ų136.581%0.80975%0.747SS**  trans74.5141.4157.5-68.3158.3-164.3172.10117.7
61I32.3Very low36.3Very low158 Ų158136.7 Ų136.781%0.8175%0.745SS**  cis-1511693.9-103.5155.2000111.2
62K30.9Very low36.5Very low189 Ų189140.7 Ų140.782%0.82275%0.751SS**  trans-102.3-158.2-173.6-43.1178.7-177179.40112.7
63P47.3Very low37.2Very low117 Ų117141.6 Ų141.676%0.7676%0.759SS**  cis-118.9-140.9-20.6197.5000113.5
64I33.5Very low37.2Very low135 Ų135138.6 Ų138.669%0.69277%0.765SS**  cis-159.3137.618.4-70.3173.9000113
65R33.1Very low37.4Very low231 Ų231139.6 Ų139.687%0.87277%0.772SS**  trans38.2170.9149.9-58.8174.3160.9151.9-6.7122.2
66T36.5Very low38Very low123 Ų123143.6 Ų143.676%0.75578%0.784SS**  cis-147.514014.439.50000108.5
67S33.1Very low37.5Very low91 Ų91143.8 Ų143.864%0.63679%0.785SS**  cis117.7128.438.371.30000112.8
68N33.2Very low37.1Very low154 Ų154147.1 Ų147.182%0.82479%0.786SS**  trans71156.5152.1-61.57.4000120.6
69V33.5Very low37.2Very low118 Ų118153 Ų15372%0.71580%0.795SS**  cis-174.3137-37.1126.90000109.5
70F32.3Very low36.8Very low176 Ų176152.7 Ų152.777%0.77280%0.8SS**  trans55.3159.4162.4-87.4-123.8000119.1
71E35.8Very low37.2Very low164 Ų164150.2 Ų150.277%0.76680%0.803SS**  cis-154.5-167.8-14-147.1172.8-162.800109.8
72K47.3Very low37.5Very low194 Ų194152.2 Ų152.284%0.84381%0.806SS**  trans-139.8137.1175.6-60.7174.4-177.21710111.4
73P41.5Very low37.6Very low141 Ų141150.6 Ų150.692%0.91681%0.806SS**  -159.7-175.7105.539.9-20.2000116.2
74G30.6Very low36.8Very low75 Ų75153.8 Ų153.877%0.77381%0.807SS**  trans155.2143.6160.500000118.7
75P46.1Very low36.5Very low135 Ų135151.8 Ų151.888%0.87781%0.812SS**  trans-123.6-176.7-171.542.2-28.6000118.9
76K40.9Very low36.3Very low201 Ų201145.6 Ų145.687%0.87480%0.803SS**  trans-67.7158.1-172.3-49.5167.4-176.4172.70115.8
77P44.8Very low35.9Very low114 Ų114145.4 Ų145.474%0.7480%0.802SS**  -157.7149.5113.137.4-17.7000121.2
78K38Very low35.8Very low196 Ų196147.6 Ų147.685%0.85281%0.811SS**  trans50.9116.7133-56.4176.1-173.5176.50126.1
79K34.7Very low35.7Very low217 Ų217144.5 Ų144.594%0.94380%0.802SS**  66.6153.8129.8-69.3-168.9175-174.50124.1
80A36.1Very low35.5Very low91 Ų91145.4 Ų145.475%0.75281%0.808SS**  trans-92.8177.4-170.800000115.7
81P40.6Very low35.3Very low135 Ų135141.9 Ų141.988%0.87781%0.805SS**  -147.3-160.891.439.8-20.6000116.8
82K37.9Very low35.1Very low199 Ų199140.1 Ų140.187%0.86581%0.811SS**  trans-107.6174.3-165.5-50.8171.2-179.3175.10114.2
83L33.1Very low34.3Very low156 Ų156134.7 Ų134.782%0.81781%0.81SS**  173.9154.1127.4-90.6163.7000115
84K30.3Very low33.8Very low183 Ų183132.7 Ų132.780%0.79681%0.805SS**  trans30.4125.9154-51-76.4-178.3166.90119.9
85A27.8Very low34Very low94 Ų94140.7 Ų140.778%0.77781%0.812SS**  71.6137.466.700000114.7
86S27.9Very low33.7Very low100 Ų100146.3 Ų146.370%0.69982%0.816SS**  cis-167.6-172.31.155.20000113.9
87T28.7Very low33.3Very low119 Ų119140.5 Ų140.573%0.7381%0.813SS**  trans74.9129.8153.723.60000123.1
88V31Very low32.9Very low137 Ų137147.1 Ų147.183%0.8382%0.823SS**  trans64.7146.8151.9-179.30000118.6
89S31.2Very low33.3Very low90 Ų90141.3 Ų141.363%0.62982%0.819SS**  cis-165138.7-41.660.60000110.7
90T29.4Very low33.5Very low137 Ų137140.9 Ų140.984%0.8482%0.818SS**  trans51.8141.3158.449.50000120.9
91S28.1Very low33.8Very low102 Ų102142.2 Ų142.271%0.71382%0.821SS**  cis-161.6170.20.860.10000112.4
92S32Very low34Very low126 Ų126145.9 Ų145.988%0.88182%0.823SS**  trans69146.5169.282.60000118.4
93G28.6Very low34.6Very low80 Ų80145.1 Ų145.183%0.82582%0.823SS**  trans146108.8178.300000113
94A32.5Very low35.4Very low99 Ų99146.3 Ų146.382%0.81882%0.824SS**  trans-109.6107.6-17300000113.2
95R33.2Very low36.2Very low243 Ų243142.5 Ų142.592%0.91782%0.818SS**SBendtrans-178119.8147.3-101.7156.9-174.9-163.91.7111
96R40.3Very low37.4Very low254 Ų254140.7 Ų140.796%0.95880%0.8SS**SBendtrans56.9100.5171.6-60.5-172.6179.2-159.40.2117
97G33.4Very low38.8Very low79 Ų79142.2 Ų142.281%0.81480%0.799SS**  trans-178.3169.5168.200000109.5
98R35.3Very low40.2Very low252 Ų252139.4 Ų139.495%0.95178%0.784SS**  cis-154.3145.2-0.8-154.8178-169.6-1704.1107.3
99G46.3Very low41.4Very low75 Ų75136.3 Ų136.377%0.77376%0.763SS**  trans-79132.2-168.900000115.3
100K39Very low42.7Very low208 Ų208136.2 Ų136.290%0.90475%0.752SS**  trans-176.1124.7134.5-100.7177.8-178.1-168.40107.9
101S42.5Very low44.1Very low119 Ų119134.5 Ų134.583%0.83274%0.737SS**  trans-66.2147.4174.4370000110.2Q103S101-Q103 PolarHBondContact O-N 3.38Å
102K45.3Very low45.8Very low211 Ų211138.4 Ų138.492%0.91774%0.736SS**  trans-66.9103.9170-72.7-175.8175.8-176.20108.3
103Q50Low47.9Very low184 Ų184135.6 Ų135.686%0.8671%0.711SS**PPolyproline II helixtrans-52.4138.4148.1-89.3171.9-59.400107.3S101S101-Q103 PolarHBondContact O-N 3.38Å
104Q49.6Very low49.8Very low180 Ų180139.4 Ų139.484%0.84171%0.707SS**PPolyproline II helixtrans-62.3145.5161.4-69.9-168.1-41.500108.2S106Q104-S106 PolarHBondContact O-N 3.28Å
105P47.3Very low51.5Low103 Ų103142 Ų14267%0.66970%0.702SS**PPolyproline II helixtrans-56.2129.317025.9-33.2000108N109P105-N109 HydrophobicContact CB-CB 4.06Å
106S53.3Low53Low57 Ų57133.7 Ų133.740%0.39968%0.676SS.*PPolyproline II helixtrans-59156.3175.850.60000110.2Q104 S108 N109Q104-S106 PolarHBondContact O-N 3.28Å; S106-S108 WeakPolarHBondContact CB-OG 3.35Å; S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.18Å; S106-N109 WeakPolarHBondContact O-CB 3.32Å; S106-N109 PolarHBondContact O-N 2.88Å
107I58.1Low54.5Low131 Ų131126 Ų12667%0.67265%0.649SS**Hα-helixtrans-55.9-31.8175.1-65.6169000110.5N109 F110 L111I107-N109 PolarHBondContact O-N 3.3Å; I107-F110 WeakPolarHBondContact O-CB 3.45Å; I107-F110 PolarHBondContact O-N 3.26Å; I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.13Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.33Å
108S57.3Low56.3Low60 Ų60124.9 Ų124.942%0.4263%0.632SS.*Hα-helixtrans-63.9-12.4171.259.40000115.8S106 R112S106-S108 WeakPolarHBondContact CB-OG 3.35Å; S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.18Å; S108-R112 VanDerWaalsContact O-CB 3.25Å; S108-R112 WeakPolarHBondContact O-CB 3.47Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 PolarHBondContact O-NE 2.88Å
109N56.6Low57.9Low73 Ų73118 Ų11839%0.3961%0.611SS.*Hα-helixtrans-92-25.4169.6-70.2-3.1000112.4P105 S106 I107 R112 N113P105-N109 HydrophobicContact CB-CB 4.06Å; S106-N109 WeakPolarHBondContact O-CB 3.32Å; S106-N109 PolarHBondContact O-N 2.88Å; I107-N109 PolarHBondContact O-N 3.3Å; N109-R112 PolarHBondContact OD1-NH2 2.97Å; N109-N113 PolarHBondContact O-N 3.4Å
110F58.3Low59.1Low88 Ų88116.6 Ų116.639%0.38659%0.587SS.*Hα-helixtrans-73-49.5170.6-174.5-98.5000109.8I107 R112 N113 I116 F117 V120I107-F110 WeakPolarHBondContact O-CB 3.45Å; I107-F110 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.06Å; F110-N113 PolarHBondContact O-N 2.75Å; F110-I116 HydrophobicContact CD2-CG2 4.06Å; F110-I116 HydrophobicContact CE2-CG2 3.56Å; F110-I116 HydrophobicContact CZ-CG2 4.28Å; F110-F117 HydrophobicContact CD1-CD2 4.28Å; F110-F117 AromaticContact CE1-CD2 3.92Å; F110-F117 HydrophobicContact CE1-CD2 3.92Å; F110-V120 HydrophobicContact CE2-CG2 4.39Å; F110-V120 HydrophobicContact CZ-CB 4.16Å; F110-V120 HydrophobicContact CZ-CG1 4.21Å; F110-V120 HydrophobicContact CZ-CG2 4.06Å
111L58.3Low60.4Low101 Ų101109.3 Ų109.353%0.52956%0.56SS.*THydrogen-bonded Turntrans-65.1-25.6175.9-64.6173.8000114I107 F117I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.13Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.33Å; L111-F117 HydrophobicContact CD2-CD2 3.83Å; L111-F117 HydrophobicContact CD2-CE2 3.75Å
112R64.8Low61.6Low183 Ų183106 Ų10669%0.69154%0.539SS*.THydrogen-bonded Turntrans-83.6-11.5172.2-81.4-175-67.5-170.1-2.7114.1S108 N109 F110 E114S108-R112 VanDerWaalsContact O-CB 3.25Å; S108-R112 WeakPolarHBondContact O-CB 3.47Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 PolarHBondContact O-NE 2.88Å; N109-R112 PolarHBondContact OD1-NH2 2.97Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.06Å; R112-E114 PolarHBondContact O-N 3.27Å
113N75.1Confident62.8Low68 Ų68101 Ų10136%0.36452%0.519SS..  trans-9875.5171.3-164.5-20.2000108.5N109 F110 Q115 I116 F117N109-N113 PolarHBondContact O-N 3.4Å; F110-N113 PolarHBondContact O-N 2.75Å; N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 VanDerWaalsContact O-N 3.08Å; N113-I116 HydrophobicContact CB-CB 4.33Å; N113-I116 HydrophobicContact CB-CD1 4.36Å; N113-I116 HydrophobicContact CB-CG1 4.38Å; N113-I116 WeakPolarHBondContact ND2-CD1 3.42Å; N113-I116 PolarHBondContact O-N 3.27Å; N113-F117 PolarHBondContact O-N 2.86Å
114E68.9Low63.7Low159 Ų15997.6 Ų97.674%0.74350%0.503SS*.Hα-helixtrans-46.8-38-179-176.8176.2-159.300112.5R112 F117 A118R112-E114 PolarHBondContact O-N 3.27Å; E114-F117 PolarHBondContact O-N 2.99Å; E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.19Å
115Q67.8Low64.5Low153 Ų15390.2 Ų90.272%0.71547%0.471SS*.Hα-helixtrans-65.8-41.6177.8-169.7170.41000112.9N113 E119N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 VanDerWaalsContact O-N 3.08Å; Q115-E119 VanDerWaalsContact O-CB 3.23Å; Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 PolarHBondContact O-N 3.41Å
116I65.8Low65.1Low70 Ų7092.7 Ų92.736%0.35948%0.476SS..Hα-helixtrans-71.8-37.9174.8-62.6-178.7000110.5F110 N113 E119 V120F110-I116 HydrophobicContact CD2-CG2 4.06Å; F110-I116 HydrophobicContact CE2-CG2 3.56Å; F110-I116 HydrophobicContact CZ-CG2 4.28Å; N113-I116 HydrophobicContact CB-CB 4.33Å; N113-I116 HydrophobicContact CB-CD1 4.36Å; N113-I116 HydrophobicContact CB-CG1 4.38Å; N113-I116 WeakPolarHBondContact ND2-CD1 3.42Å; N113-I116 PolarHBondContact O-N 3.27Å; I116-E119 PolarHBondContact O-N 3.44Å; I116-V120 HydrophobicContact CG2-CG2 4.25Å; I116-V120 WeakPolarHBondContact O-CB 3.49Å; I116-V120 WeakPolarHBondContact O-CG2 3.35Å; I116-V120 PolarHBondContact O-N 3.39Å
117F71.8Confident65.6Low93 Ų9393.4 Ų93.441%0.40849%0.485SS..Hα-helixtrans-64-44.6176.6-176-96.6000111.5F110 L111 N113 E114 T121F110-F117 HydrophobicContact CD1-CD2 4.28Å; F110-F117 AromaticContact CE1-CD2 3.92Å; F110-F117 HydrophobicContact CE1-CD2 3.92Å; L111-F117 HydrophobicContact CD2-CD2 3.83Å; L111-F117 HydrophobicContact CD2-CE2 3.75Å; N113-F117 PolarHBondContact O-N 2.86Å; E114-F117 PolarHBondContact O-N 2.99Å; F117-T121 VanDerWaalsContact O-CB 3.23Å; F117-T121 WeakPolarHBondContact O-CB 3.05Å; F117-T121 PolarHBondContact O-N 3.43Å; F117-T121 PolarHBondContact O-OG1 3.02Å
118A71.4Confident66.1Low54 Ų5490.9 Ų90.945%0.44647%0.473SS..Hα-helixtrans-66.3-41.6175.600000112.1E114 T121 A122E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.19Å; A118-T121 PolarHBondContact O-N 3.13Å; A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.19Å
119E69.2Low66.4Low108 Ų10895 Ų9551%0.50549%0.49SS..Hα-helixtrans-62.7-47.1176-175.3-177.4169.600111.7Q115 I116 A122 Q123Q115-E119 VanDerWaalsContact O-CB 3.23Å; Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 PolarHBondContact O-N 3.41Å; I116-E119 PolarHBondContact O-N 3.44Å; E119-A122 PolarHBondContact O-N 2.76Å; E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 VanDerWaalsContact O-CG 3.27Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 2.93Å
120V71.1Confident66.5Low45 Ų4597.5 Ų97.527%0.27350%0.498SS..Hα-helixtrans-67.9-37.5177.4171.30000111.4F110 I116 Q123 H124F110-V120 HydrophobicContact CE2-CG2 4.39Å; F110-V120 HydrophobicContact CZ-CB 4.16Å; F110-V120 HydrophobicContact CZ-CG1 4.21Å; F110-V120 HydrophobicContact CZ-CG2 4.06Å; I116-V120 HydrophobicContact CG2-CG2 4.25Å; I116-V120 WeakPolarHBondContact O-CB 3.49Å; I116-V120 WeakPolarHBondContact O-CG2 3.35Å; I116-V120 PolarHBondContact O-N 3.39Å; V120-Q123 PolarHBondContact O-N 3.02Å; V120-H124 PolarHBondContact O-CD2 3.36Å; V120-H124 PolarHBondContact O-N 3Å
121T65.7Low67Low56 Ų5695.6 Ų95.634%0.34450%0.495SS..Hα-helixtrans-63.8-48.4174.6-57.60000110.3F117 A118 Q123 H124 C125F117-T121 VanDerWaalsContact O-CB 3.23Å; F117-T121 WeakPolarHBondContact O-CB 3.05Å; F117-T121 PolarHBondContact O-N 3.43Å; F117-T121 PolarHBondContact O-OG1 3.02Å; A118-T121 PolarHBondContact O-N 3.13Å; T121-Q123 VanDerWaalsContact C-N 3.35Å; T121-Q123 PolarHBondContact O-N 3.5Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 2.85Å; T121-H124 WeakPolarHBondContact O-CB 3.19Å; T121-H124 PolarHBondContact O-N 2.9Å; T121-C125 PolarHBondContact O-N 2.98Å; T121-C125 PolarHBondContact O-SG 3.49Å
122A68.4Low67.5Low48 Ų4894.2 Ų94.240%0.39750%0.499SS..Hα-helixtrans-59.7-41.9176.100000112.4A118 E119 H124 C125 M126A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.19Å; E119-A122 PolarHBondContact O-N 2.76Å; A122-H124 VanDerWaalsContact C-N 3.29Å; A122-H124 PolarHBondContact O-N 2.69Å; A122-C125 PolarHBondContact O-N 3.22Å; A122-M126 WeakPolarHBondContact O-CB 3.37Å; A122-M126 VanDerWaalsContact O-CG 3.28Å; A122-M126 WeakPolarHBondContact O-CG 3.22Å; A122-M126 PolarHBondContact O-N 3.21Å
123Q71.1Confident67.7Low107 Ų10791 Ų9150%0.550%0.495SS..Hα-helixtrans-60.8-36.6173.5-74.5173.517.800112.3E119 V120 T121 A127E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 VanDerWaalsContact O-CG 3.27Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 2.93Å; V120-Q123 PolarHBondContact O-N 3.02Å; T121-Q123 VanDerWaalsContact C-N 3.35Å; T121-Q123 PolarHBondContact O-N 3.5Å; Q123-A127 VanDerWaalsContact O-CB 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 2.68Å
124H67.3Low67.8Low113 Ų11391.1 Ų91.152%0.52350%0.496SS..Hα-helixtrans-70.8-44173-90.3-74.5000112.8V120 T121 A122 M126 A127 D128V120-H124 PolarHBondContact O-CD2 3.36Å; V120-H124 PolarHBondContact O-N 3Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 2.85Å; T121-H124 WeakPolarHBondContact O-CB 3.19Å; T121-H124 PolarHBondContact O-N 2.9Å; A122-H124 VanDerWaalsContact C-N 3.29Å; A122-H124 PolarHBondContact O-N 2.69Å; H124-M126 VanDerWaalsContact C-N 3.29Å; H124-M126 PolarHBondContact O-N 2.84Å; H124-A127 PolarHBondContact O-N 3.43Å; H124-D128 IonicContact ND1-OD2 2.65Å; H124-D128 PolarHBondContact O-N 3.47Å
125C67.1Low68Low24 Ų2486.6 Ų86.616%0.16248%0.476CS..Hα-helixtrans-60-40.6176-56.30000111.6T121 A122 A127 N129 F130 I135T121-C125 PolarHBondContact O-N 2.98Å; T121-C125 PolarHBondContact O-SG 3.49Å; A122-C125 PolarHBondContact O-N 3.22Å; C125-A127 VanDerWaalsContact C-N 3.34Å; C125-N129 WeakPolarHBondContact O-CA 3.19Å; C125-N129 PolarHBondContact O-N 3.24Å; C125-F130 HydrophobicContact CB-CB 4.42Å; C125-F130 PolarHBondContact O-N 2.83Å; C125-I135 HydrophobicContact CB-CD1 4.16Å; C125-I135 WeakPolarHBondContact SG-CD1 3.45Å
126M59.1Low68.4Low156 Ų15686 Ų8677%0.76847%0.473SS*.Hα-helixtrans-68-28.4173.2-70.2179.472.800113.6A122 H124A122-M126 WeakPolarHBondContact O-CB 3.37Å; A122-M126 VanDerWaalsContact O-CG 3.28Å; A122-M126 WeakPolarHBondContact O-CG 3.22Å; A122-M126 PolarHBondContact O-N 3.21Å; H124-M126 VanDerWaalsContact C-N 3.29Å; H124-M126 PolarHBondContact O-N 2.84Å
127A64.3Low69Low72 Ų7287.6 Ų87.660%0.59548%0.481SS*.Hα-helixtrans-84.2-30.9179.500000113.4Q123 H124 C125Q123-A127 VanDerWaalsContact O-CB 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 2.68Å; H124-A127 PolarHBondContact O-N 3.43Å; C125-A127 VanDerWaalsContact C-N 3.34Å
128D69.3Low69.3Low77 Ų7785.8 Ų85.841%0.41248%0.482SS..Hα-helixtrans-102.17.9178.5-68.9-60.3000112.9H124 F130H124-D128 IonicContact ND1-OD2 2.65Å; H124-D128 PolarHBondContact O-N 3.47Å; D128-F130 HydrophobicContact CB-CD2 3.9Å; D128-F130 HydrophobicContact CB-CE2 3.87Å
129N62.1Low69.4Low148 Ų14887.9 Ų87.979%0.79149%0.486SS*.THydrogen-bonded Turntrans60.836.9175.8-61.7-40.9000116.5C125C125-N129 WeakPolarHBondContact O-CA 3.19Å; C125-N129 PolarHBondContact O-N 3.24Å
130F60.3Low69.9Low124 Ų12485.3 Ų85.354%0.54448%0.483SS..  trans-91133.8172.8-70.1-77.4000111.8C125 D128 I135C125-F130 HydrophobicContact CB-CB 4.42Å; C125-F130 PolarHBondContact O-N 2.83Å; D128-F130 HydrophobicContact CB-CD2 3.9Å; D128-F130 HydrophobicContact CB-CE2 3.87Å; F130-I135 HydrophobicContact CB-CD1 4.41Å
131S68.1Low70Confident48 Ų4888.6 Ų88.634%0.33650%0.498SS..  trans-69.1156.1169-170.80000110.9D133 D134 I135S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 PolarHBondContact OG-N 3.41Å; S131-D133 PolarHBondContact OG-OD2 2.91Å; S131-D134 WeakPolarHBondContact CA-OD2 3.26Å; S131-D134 WeakPolarHBondContact CB-OD2 3.3Å; S131-D134 PolarHBondContact N-OD2 3.21Å; S131-D134 PolarHBondContact O-N 2.95Å; S131-I135 WeakPolarHBondContact O-CG1 3.29Å
132A68.1Low70.6Confident72 Ų7289.3 Ų89.360%0.59551%0.506SS*.Hα-helixtrans-59.5-37.416600000110.7D134 I135 E136A132-D134 PolarHBondContact O-N 3.24Å; A132-I135 WeakPolarHBondContact O-CB 3.32Å; A132-I135 PolarHBondContact O-N 3.31Å; A132-I135 VanDerWaalsContact O-N 3.14Å; A132-E136 PolarHBondContact O-N 3.14Å
133D69.6Low70.9Confident116 Ų11693.9 Ų93.962%0.6252%0.517SS*.Hα-helixtrans-68.5-32.9-178.7-46.7-28.8000112.1S131 I135 E136 M137S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 PolarHBondContact OG-N 3.41Å; S131-D133 PolarHBondContact OG-OD2 2.91Å; D133-I135 PolarHBondContact O-N 3.44Å; D133-E136 PolarHBondContact O-N 3.34Å; D133-M137 WeakPolarHBondContact O-CB 3.35Å; D133-M137 PolarHBondContact O-N 3.06Å
134D78.4Confident71.1Confident70 Ų7092.1 Ų92.137%0.37452%0.516SS..Hα-helixtrans-63.1-35.3173.8-65.1-47.1000111.1S131 A132 A138S131-D134 WeakPolarHBondContact CA-OD2 3.26Å; S131-D134 WeakPolarHBondContact CB-OD2 3.3Å; S131-D134 PolarHBondContact N-OD2 3.21Å; S131-D134 PolarHBondContact O-N 2.95Å; A132-D134 PolarHBondContact O-N 3.24Å; D134-A138 VanDerWaalsContact O-CB 3.29Å; D134-A138 WeakPolarHBondContact O-CB 3.36Å; D134-A138 PolarHBondContact O-N 3.2Å
135I71.9Confident71.1Confident64 Ų6492.3 Ų92.333%0.32852%0.517SS..Hα-helixtrans-79.3-40-178.9-60.5163.2000110.1C125 F130 S131 A132 D133 A138 L139C125-I135 HydrophobicContact CB-CD1 4.16Å; C125-I135 WeakPolarHBondContact SG-CD1 3.45Å; F130-I135 HydrophobicContact CB-CD1 4.41Å; S131-I135 WeakPolarHBondContact O-CG1 3.29Å; A132-I135 WeakPolarHBondContact O-CB 3.32Å; A132-I135 PolarHBondContact O-N 3.31Å; A132-I135 VanDerWaalsContact O-N 3.14Å; D133-I135 PolarHBondContact O-N 3.44Å; I135-A138 PolarHBondContact O-N 3.47Å; I135-L139 HydrophobicContact CG2-CD1 4.24Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.21Å
136E76.6Confident70.9Confident141 Ų14193 Ų9366%0.65952%0.522SS*.Hα-helixtrans-64.9-41.3171.7-176.3158.3-167.700111.4A132 D133 L139 A140A132-E136 PolarHBondContact O-N 3.14Å; D133-E136 PolarHBondContact O-N 3.34Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 PolarHBondContact O-N 3.16Å; E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 2.86Å
137M78.5Confident71.2Confident104 Ų10492.3 Ų92.351%0.51252%0.517SS..Hα-helixtrans-60.3-45.4171.6175.9168.549.900111.6D133 L139 A140 L141D133-M137 WeakPolarHBondContact O-CB 3.35Å; D133-M137 PolarHBondContact O-N 3.06Å; M137-L139 VanDerWaalsContact C-N 3.33Å; M137-L139 PolarHBondContact O-N 3.09Å; M137-A140 PolarHBondContact O-N 2.96Å; M137-L141 HydrophobicContact CG-CD1 3.98Å; M137-L141 HydrophobicContact CG-CG 4.46Å; M137-L141 WeakPolarHBondContact O-CB 3.33Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.22Å; M137-L141 PolarHBondContact O-N 3.49Å
138A76.8Confident71.1Confident54 Ų5497.6 Ų97.645%0.44653%0.527SS..Hα-helixtrans-62.7-37.7175.300000112.5D134 I135 S142D134-A138 VanDerWaalsContact O-CB 3.29Å; D134-A138 WeakPolarHBondContact O-CB 3.36Å; D134-A138 PolarHBondContact O-N 3.2Å; I135-A138 PolarHBondContact O-N 3.47Å; A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 2.88Å
139L74.9Confident70.5Confident98 Ų98100.3 Ų100.351%0.51354%0.537SS..Hα-helixtrans-70.2-36.3174.5-73.4168.7000112.4I135 E136 M137 K143I135-L139 HydrophobicContact CG2-CD1 4.24Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.21Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 PolarHBondContact O-N 3.16Å; M137-L139 VanDerWaalsContact C-N 3.33Å; M137-L139 PolarHBondContact O-N 3.09Å; L139-K143 WeakPolarHBondContact O-CB 3.46Å; L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.25Å; L139-K143 PolarHBondContact O-N 2.73Å
140A78.4Confident70.1Confident54 Ų5496.2 Ų96.245%0.44653%0.529SS..Hα-helixtrans-68.1-45175.300000111.6E136 M137 K143 S144E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 2.86Å; M137-A140 PolarHBondContact O-N 2.96Å; A140-K143 PolarHBondContact O-N 2.98Å; A140-S144 WeakPolarHBondContact O-CB 3.41Å; A140-S144 PolarHBondContact O-N 3.41Å
141L73.9Confident69.6Low114 Ų114100.5 Ų100.560%0.59754%0.542SS*.Hα-helixtrans-60.9-45.6173.1-71169.3000111.3M137 S144 E145M137-L141 HydrophobicContact CG-CD1 3.98Å; M137-L141 HydrophobicContact CG-CG 4.46Å; M137-L141 WeakPolarHBondContact O-CB 3.33Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.22Å; M137-L141 PolarHBondContact O-N 3.49Å; L141-S144 PolarHBondContact O-N 3.01Å; L141-E145 WeakPolarHBondContact O-CB 3.25Å; L141-E145 PolarHBondContact O-N 3.24Å
142S77.8Confident68.5Low72 Ų72103.7 Ų103.750%0.50355%0.554SS.*Hα-helixtrans-63.9-39.8177.3-176.10000112.6A138 S146A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 2.88Å; S142-S146 WeakPolarHBondContact O-CB 3.32Å; S142-S146 PolarHBondContact O-N 3.08Å; S142-S146 PolarHBondContact O-OG 2.76Å
143K75.2Confident67.1Low143 Ų143111.8 Ų111.862%0.62257%0.57SS**Hα-helixtrans-61.1-52.9171.6-79.4171.7-179.5174.70111.2L139 A140 E145 S146 E147L139-K143 WeakPolarHBondContact O-CB 3.46Å; L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.25Å; L139-K143 PolarHBondContact O-N 2.73Å; A140-K143 PolarHBondContact O-N 2.98Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.95Å; K143-S146 PolarHBondContact O-N 2.8Å; K143-S146 VanDerWaalsContact O-N 3.07Å; K143-S146 PolarHBondContact O-OG 3.43Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 PolarHBondContact O-N 3.18Å
144S74.5Confident66Low70 Ų70113.5 Ų113.549%0.4958%0.578SS.*Hα-helixtrans-59.5-39179.2-173.90000112.2A140 L141 E147 K148A140-S144 WeakPolarHBondContact O-CB 3.41Å; A140-S144 PolarHBondContact O-N 3.41Å; L141-S144 PolarHBondContact O-N 3.01Å; S144-E147 PolarHBondContact O-N 2.93Å; S144-K148 VanDerWaalsContact O-CB 3.27Å; S144-K148 WeakPolarHBondContact O-CB 3.4Å; S144-K148 PolarHBondContact O-N 3.44Å
145E68.9Low64Low118 Ų118118.7 Ų118.755%0.55160%0.6SS**Hα-helixtrans-68.3-39.3174.1-174.5168.4-141.200112L141 K143 E147 K148 H149L141-E145 WeakPolarHBondContact O-CB 3.25Å; L141-E145 PolarHBondContact O-N 3.24Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.95Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 3.5Å; E145-K148 PolarHBondContact O-N 3.01Å; E145-H149 WeakPolarHBondContact CG-ND1 3.44Å; E145-H149 PolarHBondContact O-N 3.47Å; E145-H149 PolarHBondContact O-ND1 3.43Å; E145-H149 IonicContact OE1-CE1 3.23Å
146S62.2Low62.8Low38 Ų38122 Ų12227%0.26662%0.618SS.*Hα-helixtrans-66.5-33.4176.277.90000113.3S142 K143 G150 R151S142-S146 WeakPolarHBondContact O-CB 3.32Å; S142-S146 PolarHBondContact O-N 3.08Å; S142-S146 PolarHBondContact O-OG 2.76Å; K143-S146 PolarHBondContact O-N 2.8Å; K143-S146 VanDerWaalsContact O-N 3.07Å; K143-S146 PolarHBondContact O-OG 3.43Å; S146-G150 PolarHBondContact O-N 3.16Å; S146-R151 PolarHBondContact O-N 2.91Å
147E65.1Low61.2Low142 Ų142122.5 Ų122.566%0.66463%0.625SS**Hα-helixtrans-71.7-45.1174.1-177.5173.5-158.100111.1K143 S144 E145 H149 G150K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 PolarHBondContact O-N 3.18Å; S144-E147 PolarHBondContact O-N 2.93Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 3.5Å; E147-H149 PolarHBondContact O-N 2.87Å; E147-G150 WeakPolarHBondContact O-CA 3.1Å; E147-G150 PolarHBondContact O-N 2.87Å
148K62.1Low59.4Low183 Ų183125.3 Ų125.380%0.79664%0.642SS**Hα-helixtrans-59.3-31.4172.8-175.6178.4-180-179.50113S144 E145 G150S144-K148 VanDerWaalsContact O-CB 3.27Å; S144-K148 WeakPolarHBondContact O-CB 3.4Å; S144-K148 PolarHBondContact O-N 3.44Å; E145-K148 PolarHBondContact O-N 3.01Å; K148-G150 VanDerWaalsContact C-N 3.27Å
149H56.4Low58Low134 Ų134130.8 Ų130.862%0.6266%0.664SS**THydrogen-bonded Turntrans-84.68.2172.1-72.293.9000113.8E145 E147 R151E145-H149 WeakPolarHBondContact CG-ND1 3.44Å; E145-H149 PolarHBondContact O-N 3.47Å; E145-H149 PolarHBondContact O-ND1 3.43Å; E145-H149 IonicContact OE1-CE1 3.23Å; E147-H149 PolarHBondContact O-N 2.87Å; H149-R151 PolarHBondContact O-N 3.42Å; H149-R151 VanDerWaalsContact O-N 3.16Å
150G54.6Low56.1Low61 Ų61130.1 Ų130.163%0.62967%0.673SS**THydrogen-bonded Turntrans64.318.1175.500000114.7S146 E147 K148 L152S146-G150 PolarHBondContact O-N 3.16Å; E147-G150 WeakPolarHBondContact O-CA 3.1Å; E147-G150 PolarHBondContact O-N 2.87Å; K148-G150 VanDerWaalsContact C-N 3.27Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.46Å
151R50Low54.7Low215 Ų215133.7 Ų133.781%0.81169%0.689SS**  trans-87.7-0.3-166.1-144.3173.3-168-85-5.1114.4S146 H149S146-R151 PolarHBondContact O-N 2.91Å; H149-R151 PolarHBondContact O-N 3.42Å; H149-R151 VanDerWaalsContact O-N 3.16Å
152L43.9Very low52.8Low114 Ų114133.3 Ų133.360%0.59769%0.691SS**  trans-110.988172.4-72.2172000110.4G150G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.46Å
153R38.7Very low51Low243 Ų243136 Ų13692%0.91770%0.699SS**  trans-108.1109.8146.8-90-167168.5115.50.9107.9
154L47.4Very low49.2Very low151 Ų151136.5 Ų136.579%0.79171%0.708SS**  trans-77.6118.8165.4-68.4171.1000108.3
155H37.3Very low47.7Very low180 Ų180140 Ų14083%0.83372%0.72SS**  trans-152.4122.3140.2-139-70.7000108.3
156D46.3Very low46.4Very low132 Ų132142.4 Ų142.471%0.70674%0.737SS**  trans-71144168.2-53.3-75.8000109.3
157D42.7Very low45.9Very low152 Ų152144.5 Ų144.581%0.81375%0.746SS**  -176.3170.2115.1-88.8-32.4000110.7
158D40Very low45.6Very low163 Ų163145.5 Ų145.587%0.87275%0.75SS**  trans71.7118.6176.9-68.6-26.6000120.2A160D158-A160 PolarHBondContact O-N 3.33Å
159D47.1Very low45.3Very low170 Ų170142.2 Ų142.291%0.90974%0.737SS**  trans-67.3117.7171.1-86.3-58.8000112.3
160A35.5Very low45.4Very low84 Ų84142.4 Ų142.469%0.69474%0.737SS**  trans-12799.916400000110.8D158 V162D158-A160 PolarHBondContact O-N 3.33Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 HydrophobicContact CB-CG2 4.48Å; A160-V162 PolarHBondContact O-N 3.45Å
161V48.7Very low45.7Very low129 Ų129142 Ų14278%0.78273%0.725SS**  trans-72.189.5170.2-178.90000108.8D163V161-D163 PolarHBondContact O-N 3.45Å
162V34.2Very low46.6Very low105 Ų105134.6 Ų134.664%0.63670%0.703SS**  trans-86.6101.8168.4-174.10000108.1A160 L164A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 HydrophobicContact CB-CG2 4.48Å; A160-V162 PolarHBondContact O-N 3.45Å; V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4Å; V162-L164 PolarHBondContact O-N 3.16Å
163D40.6Very low47.9Very low129 Ų129132.2 Ų132.269%0.6969%0.689SS**  trans-61.7102168.8-86.4-47.7000109.4V161 L165V161-D163 PolarHBondContact O-N 3.45Å; D163-L165 VanDerWaalsContact C-N 3.26Å; D163-L165 PolarHBondContact O-N 3.07Å
164L37.8Very low49.6Very low153 Ų153130.4 Ų130.480%0.80168%0.682SS**  trans-9641169.7-65.6-178.4000111.7V162V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4Å; V162-L164 PolarHBondContact O-N 3.16Å
165L42.8Very low51Low143 Ų143128.2 Ų128.275%0.74967%0.67SS**  trans-87.296158.2-66.1176000107.6D163D163-L165 VanDerWaalsContact C-N 3.26Å; D163-L165 PolarHBondContact O-N 3.07Å
166D40.8Very low52.8Low170 Ų170124.1 Ų124.191%0.90965%0.647SS**SBendtrans171.5-9.5149-91-13.7000113.4
167D52.3Low54.2Low82 Ų82123.6 Ų123.644%0.43964%0.64SS.*  trans-120.838.2-169.3-128.8-16.2000115.7E169 K170D167-E169 PolarHBondContact O-N 2.93Å; D167-K170 WeakPolarHBondContact OD1-CD 3.47Å; D167-K170 WeakPolarHBondContact OD1-CG 3.27Å; D167-K170 IonicContact OD1-NZ 2.69Å; D167-K170 PolarHBondContact OD1-NZ 3.19Å; D167-K170 IonicContact OD2-NZ 2.75Å; D167-K170 PolarHBondContact OD2-NZ 3.37Å
168E57.7Low56Low163 Ų163122.8 Ų122.876%0.76263%0.63SS**Hα-helixtrans-57.4-30.3170-81.9-157.9160.600111.9S171 T172E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.38Å; E168-S171 PolarHBondContact O-OG 2.88Å; E168-T172 PolarHBondContact O-N 3.29Å
169E57.1Low57.9Low113 Ų113118.5 Ų118.553%0.52861%0.606SS.*Hα-helixtrans-62-63-169.8-134.6156.4-155.700111D167 S171 T172 E173 K189D167-E169 PolarHBondContact O-N 2.93Å; E169-S171 PolarHBondContact O-N 3.42Å; E169-T172 PolarHBondContact O-N 3.48Å; E169-T172 PolarHBondContact O-OG1 3.07Å; E169-E173 PolarHBondContact O-N 3.43Å; E169-K189 IonicContact OE1-NZ 3.71Å
170K57.5Low59.5Low138 Ų138115.5 Ų115.560%0.659%0.586SS**Hα-helixtrans-52.9-30.8175.7-57.8-175.7-170.983.40113.2D167 R174D167-K170 WeakPolarHBondContact OD1-CD 3.47Å; D167-K170 WeakPolarHBondContact OD1-CG 3.27Å; D167-K170 IonicContact OD1-NZ 2.69Å; D167-K170 PolarHBondContact OD1-NZ 3.19Å; D167-K170 IonicContact OD2-NZ 2.75Å; D167-K170 PolarHBondContact OD2-NZ 3.37Å; K170-R174 WeakPolarHBondContact O-CB 3.2Å; K170-R174 PolarHBondContact O-N 3.46Å
171S62.3Low61.4Low54 Ų54119.8 Ų119.838%0.37859%0.59SS.*Hα-helixtrans-65.9-42177.187.20000112.2E168 E169 R174 I175E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.38Å; E168-S171 PolarHBondContact O-OG 2.88Å; E169-S171 PolarHBondContact O-N 3.42Å; S171-R174 PolarHBondContact O-N 3.27Å; S171-I175 VanDerWaalsContact O-CG1 3.3Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.32Å
172T67.6Low62.7Low58 Ų58121 Ų12136%0.35658%0.581SS.*Hα-helixtrans-72.2-41.7-179.155.30000112.2E168 E169 I175 R176 K189E168-T172 PolarHBondContact O-N 3.29Å; E169-T172 PolarHBondContact O-N 3.48Å; E169-T172 PolarHBondContact O-OG1 3.07Å; T172-I175 PolarHBondContact O-N 2.65Å; T172-R176 WeakPolarHBondContact O-CB 3.32Å; T172-R176 PolarHBondContact O-N 3.14Å; T172-K189 WeakPolarHBondContact OG1-CE 3.49Å; T172-K189 PolarHBondContact OG1-NZ 3.03Å
173E71.4Confident64Low64 Ų64119.2 Ų119.230%0.29958%0.583SS.*Hα-helixtrans-60.7-44.5171.6-82.771.4-107.500111.2E169 I175 R176 H177 K189E169-E173 PolarHBondContact O-N 3.43Å; E173-I175 PolarHBondContact O-N 3.27Å; E173-R176 WeakPolarHBondContact O-CB 3.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-H177 PolarHBondContact O-N 3.38Å; E173-K189 IonicContact OE1-NZ 3.64Å; E173-K189 PolarHBondContact OE1-NZ 3.31Å; E173-K189 IonicContact OE2-NZ 3.99Å; E173-K189 PolarHBondContact OE2-NZ 3.46Å
174R74.9Confident65.5Low206 Ų206119.2 Ų119.278%0.77758%0.578SS**Hα-helixtrans-65.2-35.9179.6-164.1176.1-164.5176.68113K170 S171 K178K170-R174 WeakPolarHBondContact O-CB 3.2Å; K170-R174 PolarHBondContact O-N 3.46Å; S171-R174 PolarHBondContact O-N 3.27Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.21Å; R174-K178 VanDerWaalsContact O-N 3.08Å
175I75.9Confident67Low104 Ų104124.1 Ų124.153%0.53359%0.585SS.*Hα-helixtrans-67.6-43.8171.8-69.6165.3000110.4S171 T172 E173 H177 K178 L179S171-I175 VanDerWaalsContact O-CG1 3.3Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.32Å; T172-I175 PolarHBondContact O-N 2.65Å; E173-I175 PolarHBondContact O-N 3.27Å; I175-H177 PolarHBondContact O-N 3.34Å; I175-K178 PolarHBondContact O-N 3.2Å; I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.46Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.46Å
176R76.1Confident68.4Low94 Ų94118.9 Ų118.936%0.35556%0.559SS.*Hα-helixtrans-56.3-50.3176.3-171-172.4-178.6-159.81.1111.5T172 E173 K178 L179 Q180 T186 A187T172-R176 WeakPolarHBondContact O-CB 3.32Å; T172-R176 PolarHBondContact O-N 3.14Å; E173-R176 WeakPolarHBondContact O-CB 3.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 VanDerWaalsContact O-N 3.15Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 3.21Å; R176-L179 PolarHBondContact O-N 3.14Å; R176-Q180 WeakPolarHBondContact O-CB 3.36Å; R176-Q180 PolarHBondContact O-N 3.26Å; R176-T186 HydrophobicContact CG-CG2 4.19Å; R176-T186 WeakPolarHBondContact CG-OG1 3.36Å; R176-T186 PolarHBondContact NE-OG1 3.04Å; R176-T186 PolarHBondContact NH2-O 3.36Å; R176-A187 PolarHBondContact NE-O 3.37Å; R176-A187 PolarHBondContact NH2-O 2.74Å
177H74.9Confident69.7Low122 Ų122112.9 Ų112.957%0.56553%0.533SS*.Hα-helixtrans-64.8-36.9180-129.6-60.7000112.2E173 I175 K181E173-H177 PolarHBondContact O-N 3.38Å; I175-H177 PolarHBondContact O-N 3.34Å; H177-K181 WeakPolarHBondContact O-CB 3.45Å; H177-K181 PolarHBondContact O-N 2.9Å
178K81.8Confident70.3Confident135 Ų135110.5 Ų110.559%0.58753%0.525SS*.Hα-helixtrans-66.8-44.3175.1-169.5174.5-178-176.90111.6R174 I175 R176 K181 Y182R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.21Å; R174-K178 VanDerWaalsContact O-N 3.08Å; I175-K178 PolarHBondContact O-N 3.2Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 3.21Å; K178-K181 WeakPolarHBondContact O-CB 3.41Å; K178-K181 PolarHBondContact O-N 3.25Å; K178-Y182 HydrophobicContact CG-CD2 4.33Å; K178-Y182 HydrophobicContact CG-CE2 3.93Å; K178-Y182 WeakPolarHBondContact O-CD2 3.5Å; K178-Y182 PolarHBondContact O-N 3.25Å
179L77.9Confident70.4Confident72 Ų72105.5 Ų105.538%0.37750%0.501SS..Hα-helixtrans-63.1-42.8175.9-74.1171.2000111.8I175 R176 K181 Y182 G183 F184 T186I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.46Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.46Å; R176-L179 PolarHBondContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-Y182 CarbonylContact O-C 3.48Å; L179-Y182 PolarHBondContact O-N 3.04Å; L179-G183 PolarHBondContact O-N 2.94Å; L179-F184 HydrophobicContact CB-CB 4.13Å; L179-F184 HydrophobicContact CD2-CD2 4.11Å; L179-F184 HydrophobicContact CD2-CG 4.4Å; L179-F184 WeakPolarHBondContact O-CB 3.48Å; L179-F184 PolarHBondContact O-N 3.1Å; L179-F184 VanDerWaalsContact O-N 3.08Å; L179-T186 HydrophobicContact CB-CG2 3.9Å; L179-T186 HydrophobicContact CD1-CG2 4.34Å
180Q82.1Confident70.6Confident107 Ų107107.5 Ų107.550%0.551%0.51SS..Hα-helixtrans-61.8-37.4175.3-174.3173.5-1000112.4R176 Y182 G183 F184R176-Q180 WeakPolarHBondContact O-CB 3.36Å; R176-Q180 PolarHBondContact O-N 3.26Å; Q180-Y182 PolarHBondContact O-N 3.39Å; Q180-G183 PolarHBondContact O-N 2.78Å; Q180-F184 WeakPolarHBondContact CA-O 3.38Å
181K75.3Confident70.6Confident175 Ų175105 Ų10576%0.76150%0.504SS*.Hα-helixtrans-61.9-25.1173.6-175.7173.2179.51750113.5H177 K178 L179H177-K181 WeakPolarHBondContact O-CB 3.45Å; H177-K181 PolarHBondContact O-N 2.9Å; K178-K181 WeakPolarHBondContact O-CB 3.41Å; K178-K181 PolarHBondContact O-N 3.25Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.88Å
182Y75.3Confident70.2Confident155 Ų155109.3 Ų109.361%0.60851%0.513SS*.THydrogen-bonded Turntrans-9918.8172.6-63.1-72.2000113.2K178 L179 Q180 F184K178-Y182 HydrophobicContact CG-CD2 4.33Å; K178-Y182 HydrophobicContact CG-CE2 3.93Å; K178-Y182 WeakPolarHBondContact O-CD2 3.5Å; K178-Y182 PolarHBondContact O-N 3.25Å; L179-Y182 CarbonylContact O-C 3.48Å; L179-Y182 PolarHBondContact O-N 3.04Å; Q180-Y182 PolarHBondContact O-N 3.39Å; Y182-F184 PolarHBondContact O-N 3.03Å
183G61.8Low69.3Low66 Ų66112.8 Ų112.868%0.6852%0.523SS*.THydrogen-bonded Turntrans83.30.6172.900000115.9L179 Q180 R185L179-G183 PolarHBondContact O-N 2.94Å; Q180-G183 PolarHBondContact O-N 2.78Å; G183-R185 PolarHBondContact O-N 2.89Å
184F71.6Confident68.3Low130 Ų130113.4 Ų113.457%0.5753%0.534SS*.  trans-75.2123.1176.8-65.1-88.3000110.9L179 Q180 Y182 T186L179-F184 HydrophobicContact CB-CB 4.13Å; L179-F184 HydrophobicContact CD2-CD2 4.11Å; L179-F184 HydrophobicContact CD2-CG 4.4Å; L179-F184 WeakPolarHBondContact O-CB 3.48Å; L179-F184 PolarHBondContact O-N 3.1Å; L179-F184 VanDerWaalsContact O-N 3.08Å; Q180-F184 WeakPolarHBondContact CA-O 3.38Å; Y182-F184 PolarHBondContact O-N 3.03Å; F184-T186 PolarHBondContact O-N 2.87Å
185R70.9Confident67Low255 Ų255109.2 Ų109.296%0.96253%0.526SS*.  trans-68.9120.5172.5-75.9-178.4158.5-143.5-7110.6G183G183-R185 PolarHBondContact O-N 2.89Å
186T71.6Confident65.5Low33 Ų33108.2 Ų108.220%0.20253%0.534CS..  trans-118.6123.7-17955.10000111.9R176 L179 F184R176-T186 HydrophobicContact CG-CG2 4.19Å; R176-T186 WeakPolarHBondContact CG-OG1 3.36Å; R176-T186 PolarHBondContact NE-OG1 3.04Å; R176-T186 PolarHBondContact NH2-O 3.36Å; L179-T186 HydrophobicContact CB-CG2 3.9Å; L179-T186 HydrophobicContact CD1-CG2 4.34Å; F184-T186 PolarHBondContact O-N 2.87Å
187A67.9Low64Low44 Ų44109.5 Ų109.536%0.36455%0.552SS.*  trans-66.5165.2176.900000111.9R176 D191 Y192R176-A187 PolarHBondContact NE-O 3.37Å; R176-A187 PolarHBondContact NH2-O 2.74Å; A187-D191 HydrophobicContact CB-CB 4.28Å; A187-Y192 HydrophobicContact CB-CE2 3.9Å
188A65.2Low62Low32 Ų32110.5 Ų110.526%0.26456%0.561SS.*  trans-73.9153.4177.900000110.8E190 D191 Y192A188-E190 PolarHBondContact O-N 2.85Å; A188-E190 VanDerWaalsContact O-N 3.16Å; A188-D191 PolarHBondContact N-OD2 2.85Å; A188-D191 VanDerWaalsContact O-CB 3.31Å; A188-D191 WeakPolarHBondContact O-CB 3.43Å; A188-D191 PolarHBondContact O-N 3.16Å; A188-D191 VanDerWaalsContact O-N 3.08Å; A188-Y192 VanDerWaalsContact O-CD2 3.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.43Å
189K59.8Low59.9Low59 Ų59109.7 Ų109.726%0.25757%0.569SS.*Hα-helixtrans-57.7-31178.7-167.2-177.6-144.7142.20113E169 T172 E173 Y192 K193E169-K189 IonicContact OE1-NZ 3.71Å; T172-K189 WeakPolarHBondContact OG1-CE 3.49Å; T172-K189 PolarHBondContact OG1-NZ 3.03Å; E173-K189 IonicContact OE1-NZ 3.64Å; E173-K189 PolarHBondContact OE1-NZ 3.31Å; E173-K189 IonicContact OE2-NZ 3.99Å; E173-K189 PolarHBondContact OE2-NZ 3.46Å; K189-Y192 PolarHBondContact O-N 3.22Å; K189-K193 PolarHBondContact O-N 3.18Å; K189-K193 VanDerWaalsContact O-N 3.08Å
190E59.9Low58.2Low154 Ų154113.1 Ų113.172%0.7259%0.593SS**Hα-helixtrans-67-37.3179-56.8-177.215500111.8A188 Y192 K193 S194A188-E190 PolarHBondContact O-N 2.85Å; A188-E190 VanDerWaalsContact O-N 3.16Å; E190-Y192 PolarHBondContact O-N 3.48Å; E190-K193 PolarHBondContact O-N 3.01Å; E190-K193 VanDerWaalsContact O-N 3.13Å; E190-S194 PolarHBondContact O-N 2.7Å
191D58.8Low56Low87 Ų87113.9 Ų113.947%0.46561%0.605SS.*Hα-helixtrans-57.7-40172.9-60.2-50.6000110.7A187 A188 S194A187-D191 HydrophobicContact CB-CB 4.28Å; A188-D191 PolarHBondContact N-OD2 2.85Å; A188-D191 VanDerWaalsContact O-CB 3.31Å; A188-D191 WeakPolarHBondContact O-CB 3.43Å; A188-D191 PolarHBondContact O-N 3.16Å; A188-D191 VanDerWaalsContact O-N 3.08Å; D191-S194 WeakPolarHBondContact O-CB 3.31Å; D191-S194 PolarHBondContact O-N 3.5Å; D191-S194 PolarHBondContact O-OG 3.31Å
192Y54.5Low54Low144 Ų144110.1 Ų110.157%0.56561%0.606SS**Hα-helixtrans-73.1-36.2176.8-65.4-84.4000112.8A187 A188 K189 E190 S194 L195A187-Y192 HydrophobicContact CB-CE2 3.9Å; A188-Y192 VanDerWaalsContact O-CD2 3.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K189-Y192 PolarHBondContact O-N 3.22Å; E190-Y192 PolarHBondContact O-N 3.48Å; Y192-S194 VanDerWaalsContact C-N 3.25Å; Y192-S194 PolarHBondContact O-N 3.15Å; Y192-L195 WeakPolarHBondContact O-CB 3.28Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-L195 VanDerWaalsContact O-N 3.16Å
193K47.1Very low51.9Low130 Ų130107.8 Ų107.857%0.56561%0.612SS**Hα-helixtrans-61-34.5171.9-79.3177.9177.9168.10111.6K189 E190 L195 A196K189-K193 PolarHBondContact O-N 3.18Å; K189-K193 VanDerWaalsContact O-N 3.08Å; E190-K193 PolarHBondContact O-N 3.01Å; E190-K193 VanDerWaalsContact O-N 3.13Å; K193-L195 PolarHBondContact O-N 3.2Å; K193-A196 PolarHBondContact O-N 3.17Å; K193-A196 VanDerWaalsContact O-N 3.16Å
194S50.4Low51.1Low77 Ų77115.1 Ų115.154%0.53863%0.625SS.*Hα-helixtrans-61.3-27.5175.985.30000113.9E190 D191 Y192E190-S194 PolarHBondContact O-N 2.7Å; D191-S194 WeakPolarHBondContact O-CB 3.31Å; D191-S194 PolarHBondContact O-N 3.5Å; D191-S194 PolarHBondContact O-OG 3.31Å; Y192-S194 VanDerWaalsContact C-N 3.25Å; Y192-S194 PolarHBondContact O-N 3.15Å
195L47.6Very low49.5Very low118 Ų118112.6 Ų112.662%0.61864%0.636SS**Hα-helixtrans-79.3-18179.3-61.1174.2000113.4Y192 K193Y192-L195 WeakPolarHBondContact O-CB 3.28Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; K193-L195 PolarHBondContact O-N 3.2Å
196A45.7Very low48.5Very low83 Ų83104.5 Ų104.569%0.68663%0.632SS**Hα-helixtrans-85.2-15.4-177.100000113.8K193K193-A196 PolarHBondContact O-N 3.17Å; K193-A196 VanDerWaalsContact O-N 3.16Å
197V43.5Very low47.1Very low121 Ų121114.1 Ų114.173%0.73367%0.665SS**  trans-11968-171.1-166.50000111.7
198L33.4Very low46Very low144 Ų144123.6 Ų123.675%0.75469%0.691SS**  trans-129.1130.3163.2-80.4175.7000110.9V200L198-V200 PolarHBondContact O-N 3.29Å
199P37.6Very low45Very low117 Ų117124.8 Ų124.876%0.7671%0.706SS**  trans-65126-178.2-23.434.2000113.4V201P199-V201 PolarHBondContact O-N 3.25Å
200V42.9Very low44.8Very low144 Ų144131.2 Ų131.287%0.87373%0.734SS**  trans-75.990173-178.60000110L198L198-V200 PolarHBondContact O-N 3.29Å
201V34.7Very low43.9Very low124 Ų124133.8 Ų133.875%0.75274%0.737SS**  trans-122.881.5165.8-174.20000109.1P199 S203P199-V201 PolarHBondContact O-N 3.25Å; V201-S203 PolarHBondContact O-N 2.92Å
202A33.7Very low43.2Very low95 Ų95133.3 Ų133.379%0.78575%0.745SS**  trans-77.2119.6174.100000110.6
203S31.9Very low42.6Very low107 Ų107133.6 Ų133.675%0.74876%0.756SS**  trans-153.892.7172.2-80.60000112.5V201V201-S203 PolarHBondContact O-N 2.92Å
204K43.9Very low42.6Very low219 Ų219137.6 Ų137.695%0.95277%0.768SS**SBendtrans44.491.2167.4-70.3-171.4172.4-173.30117.2
205G37.8Very low42.5Very low77 Ų77139.5 Ų139.579%0.79477%0.767SS**  trans-177.8122.3162.200000109.6R207G205-R207 PolarHBondContact O-N 2.86Å
206G49.7Very low43.1Very low85 Ų85137.7 Ų137.788%0.87676%0.761SS**  trans-78.6119.1-169.400000113.7
207R42.8Very low43.5Very low236 Ų236136.4 Ų136.489%0.89175%0.747SS**  trans-135.4123.6150.6-65.1-169-170.3-100.84.8108.5G205G205-R207 PolarHBondContact O-N 2.86Å
208R45.6Very low43.7Very low243 Ų243136.7 Ų136.792%0.91774%0.744SS**  trans-64.3148.1168.4-63.7-173.5-174.9-168.13108.3
209G43.4Very low44.8Very low56 Ų56133.1 Ų133.158%0.57773%0.728SS**  trans-59.5141.6-165.900000114.2W211 A212G209-W211 PolarHBondContact O-N 3.12Å; G209-A212 PolarHBondContact O-N 3.46Å; G209-A212 VanDerWaalsContact O-N 3.14Å
210K55.3Low45.6Very low194 Ų194130.1 Ų130.184%0.84371%0.705SS**THydrogen-bonded Turntrans-63.99179.1-66.8-172.3177.2-176.20115
211W42.3Very low46.4Very low209 Ų209133.7 Ų133.779%0.79270%0.703SS**THydrogen-bonded Turntrans-98.6-21.7174.4-65.8-7.4000112.9G209 N213 R214G209-W211 PolarHBondContact O-N 3.12Å; W211-N213 PolarHBondContact O-N 3.02Å; W211-N213 VanDerWaalsContact O-N 3.15Å; W211-R214 PolarHBondContact O-N 3.46Å
212A42.5Very low48.3Very low76 Ų76131.1 Ų131.163%0.62869%0.685SS**THydrogen-bonded Turntrans-66-16.2176.900000113.7G209G209-A212 PolarHBondContact O-N 3.46Å; G209-A212 VanDerWaalsContact O-N 3.14Å
213N43.5Very low50.2Low150 Ų150130.9 Ų130.980%0.80268%0.675SS**THydrogen-bonded Turntrans-115.229.3-178.1-124.232.9000112.3W211W211-N213 PolarHBondContact O-N 3.02Å; W211-N213 VanDerWaalsContact O-N 3.15Å
214R47.1Very low52.5Low214 Ų214131 Ų13181%0.80867%0.668SS**  trans-84.2-18164.9-80.9-77.3-177148.7-0.1112.5W211W211-R214 PolarHBondContact O-N 3.46Å
215F47.5Very low54Low117 Ų117123.9 Ų123.951%0.51364%0.642SS.*SBendtrans-69.6126.1162.5-61.3-71.5000108.9T219F215-T219 WeakPolarHBondContact CA-OG1 3.15Å; F215-T219 WeakPolarHBondContact CB-OG1 3.42Å
216T59.6Low55.8Low81 Ų81122.5 Ų122.550%0.49762%0.615SS.*  trans-64.2163.3167.163.50000109.6L218 T219T216-L218 PolarHBondContact O-N 2.85Å; T216-L218 PolarHBondContact OG1-N 2.87Å; T216-T219 PolarHBondContact N-OG1 3.33Å; T216-T219 PolarHBondContact O-N 2.9Å; T216-T219 PolarHBondContact O-OG1 3.49Å; T216-T219 VanDerWaalsContact O-OG1 3.05Å; T216-T219 PolarHBondContact OG1-OG1 2.96Å; T216-T219 VanDerWaalsContact OG1-OG1 3.04Å
217S53.8Low57.3Low56 Ų56123.9 Ų123.939%0.39260%0.599SS.*THydrogen-bonded Turntrans-66.31.8170.9490000114.2Q226 K233S217-Q226 WeakPolarHBondContact O-CG 3.32Å; S217-Q226 PolarHBondContact O-OE1 2.67Å; S217-Q226 VanDerWaalsContact O-OE1 3.06Å; S217-K233 PolarHBondContact OG-NZ 2.99Å
218L49.5Very low59.4Low127 Ų127119.8 Ų119.867%0.66559%0.588SS**THydrogen-bonded Turntrans-102.12.8170.8-63.4172.3000112.9T216 Q226T216-L218 PolarHBondContact O-N 2.85Å; T216-L218 PolarHBondContact OG1-N 2.87Å; L218-Q226 VanDerWaalsContact CA-OE1 3.32Å; L218-Q226 PolarHBondContact O-OE1 3.24Å
219T55.3Low61Low68 Ų68112.5 Ų112.542%0.41756%0.562SS.*  trans-128.326.6-178.849.50000112.2F215 T216 R221F215-T219 WeakPolarHBondContact CA-OG1 3.15Å; F215-T219 WeakPolarHBondContact CB-OG1 3.42Å; T216-T219 PolarHBondContact N-OG1 3.33Å; T216-T219 PolarHBondContact O-N 2.9Å; T216-T219 PolarHBondContact O-OG1 3.49Å; T216-T219 VanDerWaalsContact O-OG1 3.05Å; T216-T219 PolarHBondContact OG1-OG1 2.96Å; T216-T219 VanDerWaalsContact OG1-OG1 3.04Å; T219-R221 PolarHBondContact O-N 3.08Å
220L55.7Low62.9Low55 Ų55114.6 Ų114.629%0.28856%0.56SS.*  trans-75.2120.9165.8-72167.9000108.1N222 Q226 K229L220-N222 PolarHBondContact O-N 2.75Å; L220-Q226 HydrophobicContact CB-CB 4.15Å; L220-Q226 HydrophobicContact CD1-CB 4.35Å; L220-K229 HydrophobicContact CD1-CD 3.88Å
221R58.7Low64.4Low219 Ų219109.5 Ų109.583%0.82654%0.539SS*.SBendtrans-64-1.9-174.9-65.5-175.6178-170.6-3.6115.5T219T219-R221 PolarHBondContact O-N 3.08Å
222N73.8Confident66.6Low70 Ų70105.8 Ų105.837%0.37453%0.53SS..  trans-123.5122.7176.7172.1-69.5000108.3L220 D224 V225 Q226L220-N222 PolarHBondContact O-N 2.75Å; N222-D224 PolarHBondContact OD1-N 3.01Å; N222-D224 VanDerWaalsContact OD1-N 3.15Å; N222-V225 HydrophobicContact CB-CB 4.42Å; N222-V225 HydrophobicContact CB-CG2 4.49Å; N222-V225 WeakPolarHBondContact OD1-CB 3.4Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.31Å; N222-V225 PolarHBondContact OD1-N 3.06Å; N222-Q226 PolarHBondContact O-N 3.32Å
223P75.4Confident68.7Low89 Ų89107.6 Ų107.658%0.57852%0.524SS*.Hα-helixtrans-69.7-39-172.827.1-33.2000112.6V225 Q226 Q227P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.85Å; P223-Q226 CarbonylContact O-C 3.55Å; P223-Q226 WeakPolarHBondContact O-CA 3.44Å; P223-Q226 VanDerWaalsContact O-CB 3.3Å; P223-Q226 WeakPolarHBondContact O-CB 3.42Å; P223-Q226 PolarHBondContact O-N 3.1Å; P223-Q227 PolarHBondContact O-N 3.08Å
224D78.7Confident70.8Confident110 Ų110103.6 Ų103.659%0.58851%0.505SS*.Hα-helixtrans-63.6-41.6-177.5-31.2-39.2000111.1N222 Q226 K228N222-D224 PolarHBondContact OD1-N 3.01Å; N222-D224 VanDerWaalsContact OD1-N 3.15Å; D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.01Å; D224-K228 VanDerWaalsContact O-CB 3.3Å; D224-K228 WeakPolarHBondContact O-CB 3.34Å; D224-K228 PolarHBondContact O-N 3.33Å
225V76.7Confident72.7Confident69 Ų6997.4 Ų97.442%0.41849%0.494SS..Hα-helixtrans-72-23.1175.5177.20000111.8N222 P223 K229N222-V225 HydrophobicContact CB-CB 4.42Å; N222-V225 HydrophobicContact CB-CG2 4.49Å; N222-V225 WeakPolarHBondContact OD1-CB 3.4Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.31Å; N222-V225 PolarHBondContact OD1-N 3.06Å; P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.85Å; V225-K229 HydrophobicContact CG1-CD 4.47Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 WeakPolarHBondContact O-CD 3.47Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å
226Q74.7Confident74.5Confident48 Ų4894.8 Ų94.822%0.22449%0.494CS..Hα-helixtrans-76.1-50.4171.5176158.5-57.200111.3S217 L218 L220 N222 P223 D224 K229 L230S217-Q226 WeakPolarHBondContact O-CG 3.32Å; S217-Q226 PolarHBondContact O-OE1 2.67Å; S217-Q226 VanDerWaalsContact O-OE1 3.06Å; L218-Q226 VanDerWaalsContact CA-OE1 3.32Å; L218-Q226 PolarHBondContact O-OE1 3.24Å; L220-Q226 HydrophobicContact CB-CB 4.15Å; L220-Q226 HydrophobicContact CD1-CB 4.35Å; N222-Q226 PolarHBondContact O-N 3.32Å; P223-Q226 CarbonylContact O-C 3.55Å; P223-Q226 WeakPolarHBondContact O-CA 3.44Å; P223-Q226 VanDerWaalsContact O-CB 3.3Å; P223-Q226 WeakPolarHBondContact O-CB 3.42Å; P223-Q226 PolarHBondContact O-N 3.1Å; D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.01Å; Q226-K229 PolarHBondContact O-N 3.27Å; Q226-L230 PolarHBondContact O-N 3.02Å
227Q81.9Confident75.5Confident115 Ų11595.7 Ų95.754%0.53750%0.496SS..Hα-helixtrans-59.7-50.8178.3173.6167.6-1300110.8P223 K229 L230 E231P223-Q227 PolarHBondContact O-N 3.08Å; Q227-K229 PolarHBondContact O-N 3.02Å; Q227-K229 VanDerWaalsContact O-N 3.13Å; Q227-L230 CarbonylContact O-C 3.58Å; Q227-L230 WeakPolarHBondContact O-CA 3.32Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.21Å; Q227-E231 HydrophobicContact CG-CG 4.3Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.32Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.37Å
228K85.6Confident76.7Confident150 Ų15098 Ų9865%0.65250%0.503SS*.Hα-helixtrans-58.3-31.2178.3-174.7163.8-175.1162.50113.6D224 E231 E232D224-K228 VanDerWaalsContact O-CB 3.3Å; D224-K228 WeakPolarHBondContact O-CB 3.34Å; D224-K228 PolarHBondContact O-N 3.33Å; K228-E231 WeakPolarHBondContact CA-OE2 3.47Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 2.89Å
229K81Confident77.8Confident90 Ų9093.6 Ų93.639%0.39149%0.488SS..Hα-helixtrans-83.2-16.7174.7-78.2179.4179.4173.80114.3L220 V225 Q226 Q227 K233L220-K229 HydrophobicContact CD1-CD 3.88Å; V225-K229 HydrophobicContact CG1-CD 4.47Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 WeakPolarHBondContact O-CD 3.47Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å; Q226-K229 PolarHBondContact O-N 3.27Å; Q227-K229 PolarHBondContact O-N 3.02Å; Q227-K229 VanDerWaalsContact O-N 3.13Å; K229-K233 WeakPolarHBondContact O-CD 3.49Å; K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å
230L82.3Confident78.4Confident99 Ų9996.8 Ų96.852%0.51850%0.499SS..Hα-helixtrans-80.2-47.5169.2-175140.8000108.8Q226 Q227 K233 V234Q226-L230 PolarHBondContact O-N 3.02Å; Q227-L230 CarbonylContact O-C 3.58Å; Q227-L230 WeakPolarHBondContact O-CA 3.32Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.21Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 WeakPolarHBondContact O-CB 3.32Å; L230-K233 PolarHBondContact O-N 2.92Å; L230-K233 VanDerWaalsContact O-N 3.15Å; L230-V234 HydrophobicContact CD2-CG2 4.1Å; L230-V234 WeakPolarHBondContact O-CB 3.39Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.62Å
231E86.2Confident78.6Confident87 Ų87101 Ų10141%0.40752%0.517SS..Hα-helixtrans-55.3-52.6171.2-68.1163.7175.500111.5Q227 K228 K233 V234 S235Q227-E231 HydrophobicContact CG-CG 4.3Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.32Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.37Å; K228-E231 WeakPolarHBondContact CA-OE2 3.47Å; E231-K233 PolarHBondContact O-N 3.48Å; E231-K233 VanDerWaalsContact O-N 3.15Å; E231-V234 PolarHBondContact O-N 3.31Å; E231-S235 PolarHBondContact O-N 3.34Å; E231-S235 PolarHBondContact O-OG 3.49Å
232E89.8Confident78.4Confident131 Ų13196.3 Ų96.361%0.61251%0.506SS*.Hα-helixtrans-53.9-36.4175.9-179.3-178.6-15800112.7K228 A236K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 2.89Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.49Å; E232-A236 VanDerWaalsContact O-N 3.07Å
233K86.8Confident77.3Confident114 Ų114103.4 Ų103.450%0.49653%0.527SS..Hα-helixtrans-77.9-37.1175.8-77.9177.2177.5-173.30113.3S217 K229 L230 E231 A236 L237S217-K233 PolarHBondContact OG-NZ 2.99Å; K229-K233 WeakPolarHBondContact O-CD 3.49Å; K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 WeakPolarHBondContact O-CB 3.32Å; L230-K233 PolarHBondContact O-N 2.92Å; L230-K233 VanDerWaalsContact O-N 3.15Å; E231-K233 PolarHBondContact O-N 3.48Å; E231-K233 VanDerWaalsContact O-N 3.15Å; K233-A236 PolarHBondContact O-N 3.21Å; K233-L237 WeakPolarHBondContact O-CB 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.39Å; K233-L237 PolarHBondContact O-N 3.47Å
234V87.7Confident76.1Confident67 Ų67102 Ų10241%0.40653%0.528SS..Hα-helixtrans-64.9-50.1176.1166.80000108.9L230 E231 A236 L237 L238L230-V234 HydrophobicContact CD2-CG2 4.1Å; L230-V234 WeakPolarHBondContact O-CB 3.39Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.62Å; E231-V234 PolarHBondContact O-N 3.31Å; V234-A236 VanDerWaalsContact C-N 3.28Å; V234-A236 PolarHBondContact O-N 3.23Å; V234-L237 PolarHBondContact O-N 3.06Å; V234-L238 HydrophobicContact CG1-CD1 3.63Å; V234-L238 WeakPolarHBondContact O-CD1 3.31Å; V234-L238 PolarHBondContact O-N 2.9Å
235S86.9Confident74.7Confident83 Ų83105.2 Ų105.258%0.5854%0.537SS*.Hα-helixtrans-60-35.3173.4-54.80000112.9E231 G239E231-S235 PolarHBondContact O-N 3.34Å; E231-S235 PolarHBondContact O-OG 3.49Å; S235-G239 PolarHBondContact O-N 3.43Å
236A84.8Confident72.9Confident62 Ų62108.7 Ų108.751%0.51255%0.549SS..Hα-helixtrans-70.7-31174.500000113.3E232 K233 V234 Q240E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.49Å; E232-A236 VanDerWaalsContact O-N 3.07Å; K233-A236 PolarHBondContact O-N 3.21Å; V234-A236 VanDerWaalsContact C-N 3.28Å; V234-A236 PolarHBondContact O-N 3.23Å; A236-Q240 WeakPolarHBondContact O-CB 3.45Å; A236-Q240 PolarHBondContact O-N 3.34Å; A236-Q240 VanDerWaalsContact O-N 3.1Å
237L79.7Confident71.3Confident101 Ų101109.7 Ų109.753%0.52956%0.56SS.*Hα-helixtrans-75.6-47.6174-75.2169.5000111.4K233 V234 G239 Q240 E241K233-L237 WeakPolarHBondContact O-CB 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.39Å; K233-L237 PolarHBondContact O-N 3.47Å; V234-L237 PolarHBondContact O-N 3.06Å; L237-G239 VanDerWaalsContact C-N 3.28Å; L237-G239 PolarHBondContact O-N 3.21Å; L237-Q240 CarbonylContact O-C 3.38Å; L237-Q240 WeakPolarHBondContact O-CA 3.43Å; L237-Q240 WeakPolarHBondContact O-CB 3.25Å; L237-Q240 PolarHBondContact O-N 3.14Å; L237-E241 PolarHBondContact O-N 2.82Å
238L79.1Confident69.2Low104 Ų104110.3 Ų110.355%0.54557%0.567SS.*Hα-helixtrans-58.5-41.7172.6-8584.5000111V234 Q240 E241 M242V234-L238 HydrophobicContact CG1-CD1 3.63Å; V234-L238 WeakPolarHBondContact O-CD1 3.31Å; V234-L238 PolarHBondContact O-N 2.9Å; L238-Q240 PolarHBondContact O-N 3.27Å; L238-E241 PolarHBondContact O-N 2.93Å; L238-M242 VanDerWaalsContact O-CB 3.23Å; L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 2.83Å
239G72.4Confident67.3Low34 Ų34107 Ų10735%0.35158%0.575SS.*Hα-helixtrans-69.7-13.8173.900000114.9S235 L237S235-G239 PolarHBondContact O-N 3.43Å; L237-G239 VanDerWaalsContact C-N 3.28Å; L237-G239 PolarHBondContact O-N 3.21Å
240Q69.8Low65.8Low136 Ų136110.7 Ų110.764%0.63659%0.594SS**Hα-helixtrans-89-38.8170.9-177.6173-13.900111.2A236 L237 L238 R243 G244A236-Q240 WeakPolarHBondContact O-CB 3.45Å; A236-Q240 PolarHBondContact O-N 3.34Å; A236-Q240 VanDerWaalsContact O-N 3.1Å; L237-Q240 CarbonylContact O-C 3.38Å; L237-Q240 WeakPolarHBondContact O-CA 3.43Å; L237-Q240 WeakPolarHBondContact O-CB 3.25Å; L237-Q240 PolarHBondContact O-N 3.14Å; L238-Q240 PolarHBondContact O-N 3.27Å; Q240-R243 PolarHBondContact O-N 3.29Å; Q240-G244 PolarHBondContact O-N 2.8Å; Q240-G244 VanDerWaalsContact O-N 3.1Å
241E58.9Low63.9Low144 Ų144111.9 Ų111.967%0.67360%0.601SS**Hα-helixtrans-68.7-40.8173.8-69.7179.1141.500111.7L237 L238 R243 G244 K245L237-E241 PolarHBondContact O-N 2.82Å; L238-E241 PolarHBondContact O-N 2.93Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 2.88Å; E241-G244 VanDerWaalsContact O-CA 3.3Å; E241-G244 WeakPolarHBondContact O-CA 3.27Å; E241-G244 PolarHBondContact O-N 2.97Å; E241-K245 PolarHBondContact O-N 3.28Å
242M54Low61.7Low120 Ų120112.6 Ų112.659%0.59161%0.614SS**THydrogen-bonded Turntrans-63.3-32174.6-168.7174.7-173.400112.4L238 G244 K245 E246L238-M242 VanDerWaalsContact O-CB 3.23Å; L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 2.83Å; M242-G244 VanDerWaalsContact C-N 3.31Å; M242-K245 CarbonylContact O-C 3.55Å; M242-E246 PolarHBondContact O-N 2.97Å
243R50.2Low59.4Low218 Ų218111.2 Ų111.282%0.82362%0.618SS**THydrogen-bonded Turntrans-84.2-1.7168.4-71.7-159.3-56.8-152.8-0.8114.5Q240 E241Q240-R243 PolarHBondContact O-N 3.29Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 2.88Å
244G51.5Low57.4Low59 Ų59113.2 Ų113.261%0.60863%0.633SS**THydrogen-bonded Turntrans-82.6-35.2168.300000112Q240 E241 M242Q240-G244 PolarHBondContact O-N 2.8Å; Q240-G244 VanDerWaalsContact O-N 3.1Å; E241-G244 VanDerWaalsContact O-CA 3.3Å; E241-G244 WeakPolarHBondContact O-CA 3.27Å; E241-G244 PolarHBondContact O-N 2.97Å; M242-G244 VanDerWaalsContact C-N 3.31Å
245K49.8Very low55.2Low178 Ų178115.8 Ų115.877%0.77465%0.649SS**  trans-148.8105.3166.9-66.8-169.9178.6-170.80110.4E241 M242E241-K245 PolarHBondContact O-N 3.28Å; M242-K245 CarbonylContact O-C 3.55Å
246E38.8Very low53.6Low142 Ų142116.3 Ų116.366%0.66465%0.65SS**PPolyproline II helixtrans-80.2120.9142.7-67.1-154.8162.600106M242 N248M242-E246 PolarHBondContact O-N 2.97Å; E246-N248 PolarHBondContact O-N 3.24Å
247P41Very low52.3Low70 Ų70123 Ų12346%0.45566%0.664SS.*PPolyproline II helixtrans-64.3133.5166.627.3-31000107.9D251P247-D251 HydrophobicContact CB-CB 3.92Å
248N37.7Very low51.5Low128 Ų128124.2 Ų124.268%0.68468%0.675SS**PPolyproline II helixtrans-56.3145.1158.3-74.9-32.3000107.1E246 E250 D251E246-N248 PolarHBondContact O-N 3.24Å; N248-E250 PolarHBondContact O-N 3.45Å; N248-D251 PolarHBondContact O-N 3.3Å
249G44.7Very low50.9Low80 Ų80121.4 Ų121.483%0.82566%0.663SS**THydrogen-bonded Turntrans-61.55.9-168.100000117.1
250E49.2Very low50.7Low168 Ų168127 Ų12779%0.78568%0.683SS**THydrogen-bonded Turntrans-100.2-29.5179.9-58.5177.1159.600111.4N248 C252 C253N248-E250 PolarHBondContact O-N 3.45Å; E250-C252 VanDerWaalsContact C-N 3.29Å; E250-C252 PolarHBondContact O-N 3.22Å; E250-C253 PolarHBondContact O-N 3.42Å
251D43.4Very low51.2Low123 Ų123124.4 Ų124.466%0.65868%0.676SS**THydrogen-bonded Turntrans-72.2-15.7-176.5-75.7-33.8000114.1P247 N248 C253P247-D251 HydrophobicContact CB-CB 3.92Å; N248-D251 PolarHBondContact O-N 3.3Å; D251-C253 PolarHBondContact O-N 3.23Å
252C40.6Very low51.6Low103 Ų103120.9 Ų120.970%0.69667%0.672SS**THydrogen-bonded Turntrans-73.2-6.2176.3-70.80000113.4E250E250-C252 VanDerWaalsContact C-N 3.29Å; E250-C252 PolarHBondContact O-N 3.22Å
253C40.1Very low52.3Low102 Ų102118.1 Ų118.169%0.68967%0.669SS**SBendtrans-108.497.6173.3-77.10000110.9E250 D251 T255E250-C253 PolarHBondContact O-N 3.42Å; D251-C253 PolarHBondContact O-N 3.23Å; C253-T255 PolarHBondContact O-N 2.78Å
254L44.6Very low52.9Low155 Ų155112.2 Ų112.281%0.81265%0.653SS**  trans-51.2113.7158.7-73.5173.8000108.4
255T43.2Very low53.7Low122 Ų122115.2 Ų115.275%0.74865%0.649SS**  trans-59.2122.7179.746.80000108.5C253 Y257C253-T255 PolarHBondContact O-N 2.78Å; T255-Y257 PolarHBondContact O-N 3.38Å
256P51.6Low54.5Low93 Ų93114.7 Ų114.760%0.60465%0.65SS**  trans-68.1115-169.425.4-33.7000109.5T258P256-T258 PolarHBondContact O-N 3.17Å
257Y58.9Low55.6Low204 Ų204114.7 Ų114.780%0.865%0.653SS**  trans-41.7124.2-179.2-68.9-80000111.4T255 V259 R268T255-Y257 PolarHBondContact O-N 3.38Å; Y257-V259 PolarHBondContact O-N 2.91Å; Y257-R268 PolarHBondContact O-NH2 3.3Å
258T62.3Low56.6Low125 Ų125117.8 Ų117.877%0.76766%0.656SS**  trans-73.591.1179.536.50000109P256 I260P256-T258 PolarHBondContact O-N 3.17Å; T258-I260 VanDerWaalsContact O-CG1 3.24Å; T258-I260 WeakPolarHBondContact O-CG1 3.43Å; T258-I260 PolarHBondContact O-N 3.03Å
259V66.4Low57.5Low46 Ų46114.6 Ų114.628%0.27965%0.647SS.*  trans-60110.4177.7-1770000109.4Y257 L264 K265Y257-V259 PolarHBondContact O-N 2.91Å; V259-L264 HydrophobicContact CG1-CB 3.29Å; V259-K265 HydrophobicContact CB-CG 4.26Å; V259-K265 HydrophobicContact CG1-CG 4Å; V259-K265 WeakPolarHBondContact O-CE 3.48Å
260I68.4Low58Low150 Ų150119 Ų11977%0.76965%0.646SS**  trans-80.5-47.5-171.4-52.2-175.8000110.7T258 K265T258-I260 VanDerWaalsContact O-CG1 3.24Å; T258-I260 WeakPolarHBondContact O-CG1 3.43Å; T258-I260 PolarHBondContact O-N 3.03Å; I260-K265 PolarHBondContact O-NZ 3.36Å
261T79Confident58.2Low82 Ų82114 Ų11450%0.50364%0.64SS.*SBendtrans-76.1142.7-175.542.20000113.2L264 K265T261-L264 PolarHBondContact O-N 3.26Å; T261-L264 WeakPolarHBondContact OG1-CD1 3.19Å; T261-K265 PolarHBondContact O-N 3.44Å
262A68.7Low58.7Low70 Ų70118 Ų11858%0.57966%0.655SS**Hα-helixtrans-63.6-48.2-175.300000113.4L264 K265 E266A262-L264 PolarHBondContact O-N 3.49Å; A262-K265 WeakPolarHBondContact O-CA 3.26Å; A262-K265 WeakPolarHBondContact O-CB 3.43Å; A262-K265 PolarHBondContact O-N 3.36Å; A262-E266 PolarHBondContact O-N 3.05Å
263A68.4Low59.2Low63 Ų63116.6 Ų116.652%0.52165%0.646SS.*Hα-helixtrans-59.1-31-179.700000113.5L267A263-L267 PolarHBondContact O-N 3.14Å
264L62.1Low59.7Low94 Ų94119.7 Ų119.749%0.49264%0.643SS.*Hα-helixtrans-80.1-15.6175.4-64.3-173.6000113.1V259 T261 A262 L267 R268V259-L264 HydrophobicContact CG1-CB 3.29Å; T261-L264 PolarHBondContact O-N 3.26Å; T261-L264 WeakPolarHBondContact OG1-CD1 3.19Å; A262-L264 PolarHBondContact O-N 3.49Å; L264-L267 HydrophobicContact CD2-CD1 4.27Å; L264-R268 PolarHBondContact O-N 3.08Å
265K68.3Low60.1Low121 Ų121119.7 Ų119.753%0.52664%0.642SS.*Hα-helixtrans-76.5-35.1170.7-66.1172.3-173.8170.10111.2V259 I260 T261 A262 L267 R268V259-K265 HydrophobicContact CB-CG 4.26Å; V259-K265 HydrophobicContact CG1-CG 4Å; V259-K265 WeakPolarHBondContact O-CE 3.48Å; I260-K265 PolarHBondContact O-NZ 3.36Å; T261-K265 PolarHBondContact O-N 3.44Å; A262-K265 WeakPolarHBondContact O-CA 3.26Å; A262-K265 WeakPolarHBondContact O-CB 3.43Å; A262-K265 PolarHBondContact O-N 3.36Å; K265-L267 VanDerWaalsContact C-N 3.27Å; K265-L267 PolarHBondContact O-N 3.34Å; K265-R268 WeakPolarHBondContact O-CB 3.26Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-R268 VanDerWaalsContact O-N 3.13Å
266E67.1Low60.5Low168 Ų168120 Ų12079%0.78564%0.639SS**Hα-helixtrans-67.2-30.8173.9-65.8173.117400111.7A262 R268A262-E266 PolarHBondContact O-N 3.05Å; E266-R268 VanDerWaalsContact C-N 3.3Å
267L62.2Low60.3Low141 Ų141123.8 Ų123.874%0.73864%0.641SS**THydrogen-bonded Turntrans-85.57.9172.1-62.3175.1000113.9A263 L264 K265 A269A263-L267 PolarHBondContact O-N 3.14Å; L264-L267 HydrophobicContact CD2-CD1 4.27Å; K265-L267 VanDerWaalsContact C-N 3.27Å; K265-L267 PolarHBondContact O-N 3.34Å; L267-A269 PolarHBondContact O-N 3.25Å
268R62.4Low60Low136 Ų136122.2 Ų122.251%0.51364%0.641SS.*  trans-77.2106.8178.2-175-177.7-118.4-141.80.5109.9Y257 L264 K265 E266 E270Y257-R268 PolarHBondContact O-NH2 3.3Å; L264-R268 PolarHBondContact O-N 3.08Å; K265-R268 WeakPolarHBondContact O-CB 3.26Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-R268 VanDerWaalsContact O-N 3.13Å; E266-R268 VanDerWaalsContact C-N 3.3Å; R268-E270 PolarHBondContact O-N 3.17Å
269A56.2Low59.5Low61 Ų61122.4 Ų122.450%0.50464%0.644SS.*  trans-43.3108.1168.200000112.7L267 S273L267-A269 PolarHBondContact O-N 3.25Å; A269-S273 WeakPolarHBondContact CA-OG 3.15Å; A269-S273 VanDerWaalsContact CB-OG 3.23Å; A269-S273 WeakPolarHBondContact CB-OG 3.45Å
270E55.2Low58.8Low171 Ų171124.3 Ų124.380%0.79966%0.66SS**  trans-70.3156.2163.7-63.9-160.1149.900109.8R268 E272 S273R268-E270 PolarHBondContact O-N 3.17Å; E270-E272 PolarHBondContact O-N 3.23Å; E270-S273 PolarHBondContact O-N 3.36Å; E270-S273 PolarHBondContact O-OG 3.34Å
271G53.7Low58Low64 Ų64127.1 Ų127.166%0.6667%0.67SS**G310 helixtrans-56.2-24.7-148.200000117.6S273 R274G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; G271-R274 WeakPolarHBondContact O-CB 3.23Å; G271-R274 PolarHBondContact O-N 2.75Å
272E53.9Low57.1Low207 Ų207125.2 Ų125.297%0.96767%0.666SS**G310 helixtrans-72.2-24.2-179.8-57.4-175.5163.900113.2E270E270-E272 PolarHBondContact O-N 3.23Å
273S50.2Low56.6Low73 Ų73127.3 Ų127.351%0.5167%0.674SS.*G310 helixtrans-934.8177.359.30000113.6A269 E270 G271 I275A269-S273 WeakPolarHBondContact CA-OG 3.15Å; A269-S273 VanDerWaalsContact CB-OG 3.23Å; A269-S273 WeakPolarHBondContact CB-OG 3.45Å; E270-S273 PolarHBondContact O-N 3.36Å; E270-S273 PolarHBondContact O-OG 3.34Å; G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; S273-I275 PolarHBondContact O-N 2.88Å
274R51.8Low56.4Low168 Ų168128.7 Ų128.763%0.63467%0.672SS**  trans-78.7102.3177.5-161.4-176.4-172.4-173.51.6109.4G271 L276G271-R274 WeakPolarHBondContact O-CB 3.23Å; G271-R274 PolarHBondContact O-N 2.75Å; R274-L276 HydrophobicContact CG-CD1 4.27Å; R274-L276 HydrophobicContact CG-CG 4.16Å; R274-L276 PolarHBondContact O-N 2.69Å
275I52.7Low56.5Low154 Ų154131.1 Ų131.179%0.7969%0.685SS**  trans-69.178.2-179.4-50.2178.5000110.8S273S273-I275 PolarHBondContact O-N 2.88Å
276L51.4Low56.2Low130 Ų130131 Ų13168%0.68169%0.691SS**  trans-105.557.5166.6-65.9177.1000108.8R274 E278R274-L276 HydrophobicContact CG-CD1 4.27Å; R274-L276 HydrophobicContact CG-CG 4.16Å; R274-L276 PolarHBondContact O-N 2.69Å; L276-E278 PolarHBondContact O-N 3.28Å
277R47.2Very low56.2Low172 Ų172125.6 Ų125.665%0.64967%0.667SS**  trans-76.5106167.4-148.8-177.2-162.8-1794.3107.2Y290R277-Y290 VanDerWaalsContact CD-OH 3.31Å; R277-Y290 WeakPolarHBondContact CD-OH 3.43Å; R277-Y290 PolarHBondContact NH1-OH 3.33Å
278E53.3Low56.4Low170 Ų170123.6 Ų123.679%0.79465%0.654SS**  trans-55.4141.8172.7-64.6-175.1147.200109.7L276 S280L276-E278 PolarHBondContact O-N 3.28Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.08Å
279P51.3Low56.5Low129 Ų129121.1 Ų121.184%0.83866%0.657SS**  trans-67.687.2-179.9-21.534.4000112.3E281P279-E281 PolarHBondContact O-N 3.15Å
280S51.7Low57Low86 Ų86123.2 Ų123.260%0.60165%0.652SS**  trans-62.8126.6170.457.50000110.1E278 G282E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.08Å; S280-G282 PolarHBondContact O-N 3.31Å
281E52.1Low57.8Low209 Ų209119.8 Ų119.898%0.97763%0.633SS**SBendtrans-68.211.8-176.8-57.5-174122.500115.1P279P279-E281 PolarHBondContact O-N 3.15Å
282G59.3Low58.7Low42 Ų42120.6 Ų120.643%0.43363%0.625SS.*SBendtrans-82167.9177.500000113.6S280S280-G282 PolarHBondContact O-N 3.31Å
283P57.8Low59.3Low114 Ų114114.7 Ų114.774%0.7460%0.603SS**  trans-55.8141.8164.3-20.633.3000110.9D285P283-D285 PolarHBondContact O-N 3.4Å
284I65.6Low60.2Low92 Ų92118 Ų11847%0.47262%0.615SS.*  trans-88.8100.8169.7-59.1174000107L287 Y290I284-L287 HydrophobicContact CB-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD1 4.1Å; I284-Y290 HydrophobicContact CG2-CD2 3.92Å; I284-Y290 HydrophobicContact CG2-CE2 3.53Å
285D62.3Low61Low145 Ų145116 Ų11678%0.77562%0.616SS**SBendtrans-66.6-49.4-177.1-62.2-44.9000111.5P283P283-D285 PolarHBondContact O-N 3.4Å
286D64Low61.9Low120 Ų120114.3 Ų114.364%0.64260%0.603SS**  trans-102.279.2179.7-66.8-48000112.1E288 S289D286-E288 PolarHBondContact O-N 3.18Å; D286-S289 WeakPolarHBondContact O-CB 3.23Å; D286-S289 PolarHBondContact O-N 3.31Å; D286-S289 VanDerWaalsContact O-N 3.14Å; D286-S289 PolarHBondContact O-OG 2.83Å
287L66.9Low62.9Low54 Ų54117.4 Ų117.428%0.28361%0.614SS.*G310 helixtrans-59.1-34.2179-156.672.8000112.4I284 S289 Y290 Y291 V298 R300I284-L287 HydrophobicContact CB-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD1 4.1Å; L287-S289 PolarHBondContact O-N 2.88Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-Y290 VanDerWaalsContact O-N 3.14Å; L287-Y291 HydrophobicContact CD1-CE2 4.46Å; L287-Y291 HydrophobicContact CG-CD2 4.43Å; L287-Y291 HydrophobicContact CG-CE2 4.08Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; L287-V298 HydrophobicContact CD2-CG1 4.04Å; L287-V298 HydrophobicContact CG-CG1 4.41Å; L287-R300 HydrophobicContact CD2-CG 4.48Å
288E65.8Low64.2Low99 Ų99110.3 Ų110.346%0.46359%0.59SS.*G310 helixtrans-66.2-14.8179.5-76.5152.7-148.800113.8D286 Y290 V298 R300D286-E288 PolarHBondContact O-N 3.18Å; E288-Y290 PolarHBondContact O-N 3.1Å; E288-V298 HydrophobicContact CG-CG2 4.45Å; E288-R300 IonicContact OE1-CZ 3.86Å; E288-R300 IonicContact OE1-NE 3.17Å; E288-R300 IonicContact OE1-NH2 2.79Å; E288-R300 PolarHBondContact OE1-NH2 2.92Å
289S65Low64.9Low83 Ų83105.4 Ų105.458%0.5858%0.575SS**G310 helixtrans-74.5-10172.368.10000114.5D286 L287D286-S289 WeakPolarHBondContact O-CB 3.23Å; D286-S289 PolarHBondContact O-N 3.31Å; D286-S289 VanDerWaalsContact O-N 3.14Å; D286-S289 PolarHBondContact O-OG 2.83Å; L287-S289 PolarHBondContact O-N 2.88Å
290Y65.6Low65.9Low105 Ų105108.3 Ų108.341%0.41257%0.569SS.*SBendtrans-112-7.4-177.1-66.8-88.7000114.7R277 I284 L287 E288R277-Y290 VanDerWaalsContact CD-OH 3.31Å; R277-Y290 WeakPolarHBondContact CD-OH 3.43Å; R277-Y290 PolarHBondContact NH1-OH 3.33Å; I284-Y290 HydrophobicContact CG2-CD2 3.92Å; I284-Y290 HydrophobicContact CG2-CE2 3.53Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-Y290 VanDerWaalsContact O-N 3.14Å; E288-Y290 PolarHBondContact O-N 3.1Å
291Y71.6Confident66.9Low100 Ų100107.7 Ų107.739%0.39256%0.562SS.*SBendtrans-122.1136.5-179.5-68.8-94.1000109.6L287 T293 V298L287-Y291 HydrophobicContact CD1-CE2 4.46Å; L287-Y291 HydrophobicContact CG-CD2 4.43Å; L287-Y291 HydrophobicContact CG-CE2 4.08Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; Y291-T293 PolarHBondContact O-N 2.82Å; Y291-T293 VanDerWaalsContact O-N 3.09Å; Y291-V298 HydrophobicContact CD2-CG1 3.82Å; Y291-V298 HydrophobicContact CE2-CG1 4.34Å; Y291-V298 HydrophobicContact CG-CG1 4.06Å; Y291-V298 HydrophobicContact CG-CG2 4.35Å
292V73.9Confident67.8Low81 Ų81101 Ų10149%0.49154%0.536SS..  trans-76101.7170.1-172.40000107.9D294 L295 F296V292-D294 HydrophobicContact CG1-CB 4.35Å; V292-D294 PolarHBondContact O-N 2.91Å; V292-L295 HydrophobicContact CB-CD1 4.19Å; V292-L295 HydrophobicContact CG1-CD1 3.54Å; V292-L295 PolarHBondContact O-N 3.39Å; V292-L295 VanDerWaalsContact O-N 3.14Å; V292-F296 HydrophobicContact CB-CE2 4.45Å; V292-F296 PolarHBondContact O-N 2.87Å
293T65.8Low68.1Low82 Ų82103.5 Ų103.550%0.50355%0.553SS.*THydrogen-bonded Turntrans-50.8-29.5179.844.80000113.5Y291 V298Y291-T293 PolarHBondContact O-N 2.82Å; Y291-T293 VanDerWaalsContact O-N 3.09Å; T293-V298 HydrophobicContact CG2-CG2 4.41Å
294D69.3Low68.6Low143 Ų143103 Ų10377%0.76554%0.54SS*.THydrogen-bonded Turntrans-87.7-7.7-170.1-51-4.4000112.5V292V292-D294 HydrophobicContact CG1-CB 4.35Å; V292-D294 PolarHBondContact O-N 2.91Å
295L69.1Low68.8Low126 Ų126103.4 Ų103.466%0.6654%0.54SS*.THydrogen-bonded Turntrans-114-27.8175.3-81.695.6000114V292V292-L295 HydrophobicContact CB-CD1 4.19Å; V292-L295 HydrophobicContact CG1-CD1 3.54Å; V292-L295 PolarHBondContact O-N 3.39Å; V292-L295 VanDerWaalsContact O-N 3.14Å
296F71.2Confident69.1Low119 Ų119100 Ų10052%0.52252%0.522SS..SBendtrans-143.2137.9-173.2-28.6-80000112.1V292 V298V292-F296 HydrophobicContact CB-CE2 4.45Å; V292-F296 PolarHBondContact O-N 2.87Å; F296-V298 PolarHBondContact O-N 3.01Å
297E72.8Confident69.3Low195 Ų19598.7 Ų98.791%0.91151%0.514SS*.  trans-65.2121.5167.6-171.2-177.8177.700109.6S299E297-S299 PolarHBondContact O-N 2.7Å
298V74.8Confident69.4Low22 Ų22102.9 Ų102.913%0.13353%0.53CS..  trans-69.6100.3-173.8-175.60000110.2L287 E288 Y291 T293 F296 R300L287-V298 HydrophobicContact CD2-CG1 4.04Å; L287-V298 HydrophobicContact CG-CG1 4.41Å; E288-V298 HydrophobicContact CG-CG2 4.45Å; Y291-V298 HydrophobicContact CD2-CG1 3.82Å; Y291-V298 HydrophobicContact CE2-CG1 4.34Å; Y291-V298 HydrophobicContact CG-CG1 4.06Å; Y291-V298 HydrophobicContact CG-CG2 4.35Å; T293-V298 HydrophobicContact CG2-CG2 4.41Å; F296-V298 PolarHBondContact O-N 3.01Å; V298-R300 PolarHBondContact O-N 3.47Å
299S67.8Low69.2Low68 Ų68103.7 Ų103.748%0.47654%0.537SS..  trans-68.292.6-176.164.20000112E297 T301E297-S299 PolarHBondContact O-N 2.7Å; S299-T301 PolarHBondContact O-N 2.97Å
300R72Confident69.3Low190 Ų190105 Ų10572%0.71753%0.53SS*.  trans-68.615177.2-63.3-179.9176.7-176.4-1.5114.3L287 E288 V298L287-R300 HydrophobicContact CD2-CG 4.48Å; E288-R300 IonicContact OE1-CZ 3.86Å; E288-R300 IonicContact OE1-NE 3.17Å; E288-R300 IonicContact OE1-NH2 2.79Å; E288-R300 PolarHBondContact OE1-NH2 2.92Å; V298-R300 PolarHBondContact O-N 3.47Å
301T71.7Confident69.3Low73 Ų73103.6 Ų103.645%0.44854%0.54SS..SBendtrans-75.1133.7175.650.80000111.1S299S299-T301 PolarHBondContact O-N 2.97Å
302P71Confident69.1Low69 Ų69101.3 Ų101.345%0.44854%0.542SS..  trans-66.3141.1178.828.5-34.9000110.8H304 H305P302-H304 PolarHBondContact O-N 3.26Å; P302-H305 HydrophobicContact CG-CB 4.44Å; P302-H305 WeakPolarHBondContact O-CB 3.48Å; P302-H305 PolarHBondContact O-N 2.95Å
303A66.5Low69Low94 Ų9499.4 Ų99.478%0.77753%0.528SS*.THydrogen-bonded Turntrans-51.5-28.7-171.600000115.2H305A303-H305 VanDerWaalsContact C-N 3.25Å; A303-H305 PolarHBondContact O-N 3.48Å
304H67.4Low69Low103 Ų103104.6 Ų104.648%0.47755%0.547SS..THydrogen-bonded Turntrans-74.5-6.5177.276.1-106000114.6P302 K308P302-H304 PolarHBondContact O-N 3.26Å; H304-K308 PolarHBondContact CD2-NZ 2.95Å; H304-K308 VanDerWaalsContact CD2-NZ 3.3Å; H304-K308 PolarHBondContact NE2-NZ 2.96Å
305H70.9Confident68.8Low101 Ų101102.2 Ų102.247%0.46856%0.556SS.*THydrogen-bonded Turntrans-67.7-54.7-173.3-168.399.3000111.6P302 A303 L307 K308P302-H305 HydrophobicContact CG-CB 4.44Å; P302-H305 WeakPolarHBondContact O-CB 3.48Å; P302-H305 PolarHBondContact O-N 2.95Å; A303-H305 VanDerWaalsContact C-N 3.25Å; A303-H305 PolarHBondContact O-N 3.48Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-K308 PolarHBondContact O-N 3.38Å
306L67.4Low68.8Low74 Ų74103.2 Ų103.239%0.38755%0.551SS.*G310 helixtrans-72.7-27.6178.3-59.9177.3000112.2K308 N309 A312 I313L306-K308 PolarHBondContact O-N 3.15Å; L306-N309 CarbonylContact O-C 3.59Å; L306-N309 PolarHBondContact O-N 3.37Å; L306-A312 HydrophobicContact CD2-CB 4.03Å; L306-I313 HydrophobicContact CB-CD1 4.43Å; L306-I313 HydrophobicContact CB-CG1 3.8Å; L306-I313 HydrophobicContact CD1-CG1 4.45Å
307L67.9Low68.6Low91 Ų91104.4 Ų104.448%0.47656%0.563SS.*G310 helixtrans-62.9-12.6175.1-63.6179.7000114.3H305 W310 I313H305-L307 VanDerWaalsContact C-N 3.35Å; L307-W310 PolarHBondContact O-NE1 3.32Å; L307-W310 VanDerWaalsContact O-NE1 3.08Å; L307-I313 HydrophobicContact CD2-CD1 4.3Å
308K70.1Confident68.1Low143 Ų143103.4 Ų103.462%0.62256%0.556SS**G310 helixtrans-75.2-32.2170.1-70.7165.4179162.60112.5H304 H305 L306H304-K308 PolarHBondContact CD2-NZ 2.95Å; H304-K308 VanDerWaalsContact CD2-NZ 3.3Å; H304-K308 PolarHBondContact NE2-NZ 2.96Å; H305-K308 PolarHBondContact O-N 3.38Å; L306-K308 PolarHBondContact O-N 3.15Å
309N61.8Low67.5Low116 Ų116105.9 Ų105.962%0.6257%0.574SS**SBendtrans-131.585.1-178.4-74-26.5000108.6L306 A311 A312L306-N309 CarbonylContact O-C 3.59Å; L306-N309 PolarHBondContact O-N 3.37Å; N309-A311 PolarHBondContact O-N 2.97Å; N309-A311 VanDerWaalsContact O-N 3.08Å; N309-A312 HydrophobicContact CB-CB 4.18Å; N309-A312 VanDerWaalsContact O-CB 3.27Å; N309-A312 WeakPolarHBondContact O-CB 3.28Å; N309-A312 PolarHBondContact O-N 3.09Å
310W67.3Low67.4Low110 Ų110107.7 Ų107.742%0.41758%0.584SS.*G310 helixtrans-56.2-33-172-76.749.3000113.6L307 A312 I313L307-W310 PolarHBondContact O-NE1 3.32Å; L307-W310 VanDerWaalsContact O-NE1 3.08Å; W310-A312 PolarHBondContact O-N 3.4Å; W310-I313 WeakPolarHBondContact O-CB 3.48Å; W310-I313 PolarHBondContact O-N 3.01Å; W310-I313 VanDerWaalsContact O-N 3.1Å
311A64.8Low67.2Low76 Ų76107.6 Ų107.663%0.62859%0.592SS**G310 helixtrans-69.9-2.8175.100000115.1N309 F318N309-A311 PolarHBondContact O-N 2.97Å; N309-A311 VanDerWaalsContact O-N 3.08Å; A311-F318 HydrophobicContact CB-CE1 3.82Å; A311-F318 HydrophobicContact CB-CZ 4.37Å
312A67.6Low66.9Low52 Ų52115.3 Ų115.343%0.4361%0.613SS.*G310 helixtrans-91.1-4.6170.300000112.6L306 N309 W310L306-A312 HydrophobicContact CD2-CB 4.03Å; N309-A312 HydrophobicContact CB-CB 4.18Å; N309-A312 VanDerWaalsContact O-CB 3.27Å; N309-A312 WeakPolarHBondContact O-CB 3.28Å; N309-A312 PolarHBondContact O-N 3.09Å; W310-A312 PolarHBondContact O-N 3.4Å
313I72.1Confident67.2Low40 Ų40116.1 Ų116.121%0.20561%0.611CS.*SBendtrans-84.6109.8169.2-56.6172.9000106.8L306 L307 W310 R316L306-I313 HydrophobicContact CB-CD1 4.43Å; L306-I313 HydrophobicContact CB-CG1 3.8Å; L306-I313 HydrophobicContact CD1-CG1 4.45Å; L307-I313 HydrophobicContact CD2-CD1 4.3Å; W310-I313 WeakPolarHBondContact O-CB 3.48Å; W310-I313 PolarHBondContact O-N 3.01Å; W310-I313 VanDerWaalsContact O-N 3.1Å; I313-R316 HydrophobicContact CB-CB 4.31Å; I313-R316 HydrophobicContact CG2-CB 3.91Å
314Q65.1Low68.1Low192 Ų192114.9 Ų114.990%0.89759%0.593SS**THydrogen-bonded Turntrans-62.8143.2178.5-61.4-175.210.800110.6R316Q314-R316 VanDerWaalsContact C-N 3.33Å; Q314-R316 PolarHBondContact O-N 3.43Å
315G66.3Low68.7Low93 Ų93117.3 Ų117.396%0.95961%0.605SS**THydrogen-bonded Turntrans69.620.2177.100000115.7
316R69Low69.1Low147 Ų147120.5 Ų120.556%0.55562%0.618SS**  trans-126.8132179-168.8173.5-170.81547.3113.2I313 Q314I313-R316 HydrophobicContact CB-CB 4.31Å; I313-R316 HydrophobicContact CG2-CB 3.91Å; Q314-R316 VanDerWaalsContact C-N 3.33Å; Q314-R316 PolarHBondContact O-N 3.43Å
317D66.2Low69.8Low143 Ų143120.2 Ų120.277%0.76562%0.621SS**PPolyproline II helixtrans-67.5158.8179.1-60.4-64.1000114.2
318F61.6Low70.5Confident175 Ų175122.6 Ų122.677%0.76862%0.623SS**PPolyproline II helixtrans-63.4138.2175.4-66.3-85.1000111.3A311A311-F318 HydrophobicContact CB-CE1 3.82Å; A311-F318 HydrophobicContact CB-CZ 4.37Å
319S62.3Low71.3Confident74 Ų74120.4 Ų120.452%0.51762%0.615SS.*PPolyproline II helixtrans-60.8135.3178.2-167.60000110.8
320P65.4Low72.4Confident106 Ų106119.1 Ų119.169%0.68861%0.608SS**PPolyproline II helixtrans-52.6140.4-174.5-30.235.6000114.3
321E69.2Low73.4Confident188 Ų188122.2 Ų122.288%0.87962%0.62SS**PPolyproline II helixtrans-60.6140.2177.7-67.5-157151.100111.7E323E321-E323 PolarHBondContact O-N 3.4Å
322R65.9Low74.6Confident235 Ų235123.5 Ų123.589%0.88761%0.613SS**PPolyproline II helixtrans-67.3121.7-177.6-69-178.6176.6170.20.2110.5T324R322-T324 PolarHBondContact O-N 3.26Å
323E75.6Confident75.6Confident86 Ų86126 Ų12640%0.40262%0.616SS.*  trans-43.2112.3179.7-173.1-169.4-128.100111.7E321 C327 R328E321-E323 PolarHBondContact O-N 3.4Å; E323-C327 HydrophobicContact CG-CB 4.17Å; E323-R328 HydrophobicContact CG-CB 4.37Å; E323-R328 IonicContact OE2-CZ 2.67Å; E323-R328 IonicContact OE2-NE 2.98Å; E323-R328 PolarHBondContact OE2-NE 3.04Å; E323-R328 IonicContact OE2-NH2 3.71Å; E323-R328 PolarHBondContact OE2-NH2 2.85Å
324T85.8Confident76.2Confident68 Ų68128.5 Ų128.542%0.41763%0.626SS.*  trans-76.6157.2178.880.50000110.7R322 K326 C327 R328R322-T324 PolarHBondContact O-N 3.26Å; T324-K326 PolarHBondContact O-N 2.94Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 PolarHBondContact OG1-N 3.16Å; T324-C327 PolarHBondContact O-N 3Å; T324-C327 PolarHBondContact OG1-N 3.24Å; T324-C327 PolarHBondContact OG1-SG 2.83Å; T324-R328 PolarHBondContact O-N 3.37Å
325Q79.5Confident77.5Confident153 Ų153125.5 Ų125.572%0.71561%0.612SS**Hα-helixtrans-57.8-29.4175.2-175.1173.4-21.400112.6Q329Q325-Q329 WeakPolarHBondContact O-CB 3.21Å; Q325-Q329 VanDerWaalsContact O-CG 3.28Å; Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.37Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å
326K81.3Confident78.6Confident169 Ų169127 Ų12774%0.73560%0.598SS**Hα-helixtrans-69.2-45.5173.5-67.3-174.8177.6-177.70111.6T324 R328 Q329 L330T324-K326 PolarHBondContact O-N 2.94Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 PolarHBondContact OG1-N 3.16Å; K326-R328 VanDerWaalsContact C-N 3.32Å; K326-R328 PolarHBondContact O-N 3.46Å; K326-Q329 PolarHBondContact O-N 3.48Å; K326-L330 WeakPolarHBondContact O-CB 3.39Å; K326-L330 PolarHBondContact O-N 2.91Å
327C80.4Confident79.8Confident68 Ų68122.5 Ų122.546%0.45959%0.586SS.*Hα-helixtrans-60.2-42.9177.2-570000111.4E323 T324 L330 R331E323-C327 HydrophobicContact CG-CB 4.17Å; T324-C327 PolarHBondContact O-N 3Å; T324-C327 PolarHBondContact OG1-N 3.24Å; T324-C327 PolarHBondContact OG1-SG 2.83Å; C327-L330 PolarHBondContact O-N 3.04Å; C327-R331 WeakPolarHBondContact O-CB 3.25Å; C327-R331 PolarHBondContact O-N 3.01Å
328R84.3Confident80.7Confident140 Ų140122.7 Ų122.753%0.52858%0.577SS.*Hα-helixtrans-62.9-42.1175.5-177.7171.9-69.2-147-5.1112.8E323 T324 K326 R331 Q332E323-R328 HydrophobicContact CG-CB 4.37Å; E323-R328 IonicContact OE2-CZ 2.67Å; E323-R328 IonicContact OE2-NE 2.98Å; E323-R328 PolarHBondContact OE2-NE 3.04Å; E323-R328 IonicContact OE2-NH2 3.71Å; E323-R328 PolarHBondContact OE2-NH2 2.85Å; T324-R328 PolarHBondContact O-N 3.37Å; K326-R328 VanDerWaalsContact C-N 3.32Å; K326-R328 PolarHBondContact O-N 3.46Å; R328-R331 PolarHBondContact O-N 3.15Å; R328-Q332 WeakPolarHBondContact O-CG 3.4Å; R328-Q332 PolarHBondContact O-N 3.27Å
329Q85.3Confident82Confident97 Ų97116 Ų11645%0.45355%0.554SS.*Hα-helixtrans-64.4-43.4176.6-77173.1-3100111.5Q325 K326 Q332 Q333Q325-Q329 WeakPolarHBondContact O-CB 3.21Å; Q325-Q329 VanDerWaalsContact O-CG 3.28Å; Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.37Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å; K326-Q329 PolarHBondContact O-N 3.48Å; Q329-Q332 PolarHBondContact O-N 3.44Å; Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 3.09Å
330L86.3Confident83.2Confident90 Ų90114.1 Ų114.147%0.47154%0.537SS..Hα-helixtrans-61.4-46.4176-172.366000111.4K326 C327 Q332 Q333 H334K326-L330 WeakPolarHBondContact O-CB 3.39Å; K326-L330 PolarHBondContact O-N 2.91Å; C327-L330 PolarHBondContact O-N 3.04Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.48Å; L330-Q333 PolarHBondContact O-N 3.3Å; L330-Q333 VanDerWaalsContact O-N 3.13Å; L330-H334 VanDerWaalsContact CD1-NE2 3.35Å; L330-H334 WeakPolarHBondContact CD1-NE2 3.17Å; L330-H334 PolarHBondContact O-CD2 3.4Å; L330-H334 PolarHBondContact O-N 3.08Å
331R87.6Confident84.1Confident175 Ų175112 Ų11266%0.6652%0.52SS*.Hα-helixtrans-57.2-43.9175.6-173.2176.6-176.3161.17112C327 R328 H334 E335C327-R331 WeakPolarHBondContact O-CB 3.25Å; C327-R331 PolarHBondContact O-N 3.01Å; R328-R331 PolarHBondContact O-N 3.15Å; R331-H334 PolarHBondContact O-N 3.08Å; R331-E335 VanDerWaalsContact O-CB 3.31Å; R331-E335 WeakPolarHBondContact O-CB 3.44Å; R331-E335 PolarHBondContact O-N 3.29Å
332Q90.9Very high84.9Confident102 Ų102110 Ų11048%0.47751%0.511SS..Hα-helixtrans-67-33.4176.9-73.5176.7-21.800113R328 Q329 L330 L336R328-Q332 WeakPolarHBondContact O-CG 3.4Å; R328-Q332 PolarHBondContact O-N 3.27Å; Q329-Q332 PolarHBondContact O-N 3.44Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.48Å; Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.27Å; Q332-L336 PolarHBondContact O-N 3.3Å; Q332-L336 VanDerWaalsContact O-N 3.16Å
333Q88.1Confident85.6Confident105 Ų105107 Ų10749%0.49150%0.499SS..Hα-helixtrans-68.5-41171.8-70.8178.8-66.300111.4Q329 L330 L336 V337Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 3.09Å; L330-Q333 PolarHBondContact O-N 3.3Å; L330-Q333 VanDerWaalsContact O-N 3.13Å; Q333-L336 PolarHBondContact O-N 2.95Å; Q333-V337 WeakPolarHBondContact O-CG2 3.36Å; Q333-V337 PolarHBondContact O-N 2.86Å
334H83.2Confident85.6Confident93 Ų93108.4 Ų108.443%0.43150%0.502SS..Hα-helixtrans-66.3-42.6177.1-71.4-149.7000111.4L330 R331 L336 V337 Y338L330-H334 VanDerWaalsContact CD1-NE2 3.35Å; L330-H334 WeakPolarHBondContact CD1-NE2 3.17Å; L330-H334 PolarHBondContact O-CD2 3.4Å; L330-H334 PolarHBondContact O-N 3.08Å; R331-H334 PolarHBondContact O-N 3.08Å; H334-L336 VanDerWaalsContact C-N 3.32Å; H334-L336 PolarHBondContact O-N 2.94Å; H334-V337 PolarHBondContact O-N 3.05Å; H334-V337 VanDerWaalsContact O-N 3.11Å; H334-Y338 HydrophobicContact CB-CD2 4.44Å; H334-Y338 HydrophobicContact CB-CE2 4.26Å; H334-Y338 WeakPolarHBondContact O-CD2 3.31Å; H334-Y338 PolarHBondContact O-N 3.47Å
335E92.6Very high84.9Confident128 Ų128112.6 Ų112.660%0.59851%0.511SS*.Hα-helixtrans-58.2-40.9175-173.8175.5-164.600112R331 A339R331-E335 VanDerWaalsContact O-CB 3.31Å; R331-E335 WeakPolarHBondContact O-CB 3.44Å; R331-E335 PolarHBondContact O-N 3.29Å; E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.47Å
336L91Very high84.5Confident126 Ų126107.6 Ų107.666%0.6650%0.501SS*.Hα-helixtrans-67.4-37173.1-72.9170000113.2Q332 Q333 H334 E340Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.27Å; Q332-L336 PolarHBondContact O-N 3.3Å; Q332-L336 VanDerWaalsContact O-N 3.16Å; Q333-L336 PolarHBondContact O-N 2.95Å; H334-L336 VanDerWaalsContact C-N 3.32Å; H334-L336 PolarHBondContact O-N 2.94Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 2.8Å
337V92.5Very high84Confident52 Ų52104.8 Ų104.832%0.31549%0.494SS..Hα-helixtrans-69.7-43.2176.2169.10000111.1Q333 H334 A339 E340 L341Q333-V337 WeakPolarHBondContact O-CG2 3.36Å; Q333-V337 PolarHBondContact O-N 2.86Å; H334-V337 PolarHBondContact O-N 3.05Å; H334-V337 VanDerWaalsContact O-N 3.11Å; V337-A339 VanDerWaalsContact C-N 3.35Å; V337-A339 PolarHBondContact O-N 3.24Å; V337-E340 WeakPolarHBondContact O-CA 3.37Å; V337-E340 PolarHBondContact O-N 3.09Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.37Å
338Y87.1Confident83.2Confident147 Ų147105.9 Ų105.958%0.57650%0.5SS*.Hα-helixtrans-61-43.6174.4-73.2-58.3000111.4H334 E340 L341 E342H334-Y338 HydrophobicContact CB-CD2 4.44Å; H334-Y338 HydrophobicContact CB-CE2 4.26Å; H334-Y338 WeakPolarHBondContact O-CD2 3.31Å; H334-Y338 PolarHBondContact O-N 3.47Å; Y338-E340 PolarHBondContact O-N 2.9Å; Y338-L341 HydrophobicContact CD1-CD1 4.43Å; Y338-L341 PolarHBondContact O-N 3.38Å; Y338-E342 VanDerWaalsContact O-CB 3.28Å; Y338-E342 WeakPolarHBondContact O-CB 3.44Å; Y338-E342 PolarHBondContact O-N 3.44Å
339A88.2Confident82.2Confident34 Ų34106.4 Ų106.428%0.28151%0.509SS..Hα-helixtrans-68.5-17.9173.300000114E335 V337 R343E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.47Å; V337-A339 VanDerWaalsContact C-N 3.35Å; V337-A339 PolarHBondContact O-N 3.24Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-NE 3.24Å; A339-R343 PolarHBondContact O-NH1 2.91Å
340E87.4Confident81.5Confident34 Ų34106.9 Ų106.916%0.15951%0.509CS..Hα-helixtrans-82.4-37171.1-166168.9-166.800111.4S29 L30 S31 L336 V337 Y338 Y344S29-E340 VanDerWaalsContact OG-CD 3.27Å; S29-E340 PolarHBondContact OG-OE1 2.84Å; S29-E340 PolarHBondContact OG-OE2 3.49Å; L30-E340 HydrophobicContact CB-CG 4.28Å; L30-E340 HydrophobicContact CD1-CG 4.32Å; L30-E340 PolarHBondContact N-OE1 3.23Å; L30-E340 PolarHBondContact N-OE2 3.25Å; S31-E340 PolarHBondContact N-OE1 3.15Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 2.8Å; V337-E340 WeakPolarHBondContact O-CA 3.37Å; V337-E340 PolarHBondContact O-N 3.09Å; Y338-E340 PolarHBondContact O-N 2.9Å; E340-Y344 PolarHBondContact O-N 3.04Å
341L84.4Confident80.7Confident62 Ų62107.4 Ų107.433%0.32551%0.512SS..Hα-helixtrans-70.7-43.5174.2-68.5167.1000112.7L30 V337 Y338 R343 Y344 Y345L30-L341 HydrophobicContact CD1-CD2 3.79Å; L30-L341 HydrophobicContact CD1-CG 4.07Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.37Å; Y338-L341 HydrophobicContact CD1-CD1 4.43Å; Y338-L341 PolarHBondContact O-N 3.38Å; L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 2.88Å; L341-Y344 WeakPolarHBondContact O-CA 3.44Å; L341-Y344 PolarHBondContact O-N 3.42Å; L341-Y345 HydrophobicContact CD2-CD2 4.45Å; L341-Y345 HydrophobicContact CD2-CE2 3.97Å; L341-Y345 WeakPolarHBondContact O-CD2 3.31Å; L341-Y345 PolarHBondContact O-N 3.49Å
342E85.2Confident80.1Confident146 Ų146104.9 Ų104.968%0.68251%0.507SS*.Hα-helixtrans-60.2-37.2177.6-175.1177.4-143.800111.4Y338 Y344 G346Y338-E342 VanDerWaalsContact O-CB 3.28Å; Y338-E342 WeakPolarHBondContact O-CB 3.44Å; Y338-E342 PolarHBondContact O-N 3.44Å; E342-Y344 VanDerWaalsContact C-N 3.29Å; E342-Y344 PolarHBondContact O-N 3.21Å; E342-G346 WeakPolarHBondContact O-CA 3.49Å; E342-G346 PolarHBondContact O-N 2.92Å
343R80.9Confident79.3Confident171 Ų171105.8 Ų105.865%0.64551%0.512SS*.Hα-helixtrans-75.1-11.9172.1-69.9-170-49-93.8-5.1114.9A339 L341A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-NE 3.24Å; A339-R343 PolarHBondContact O-NH1 2.91Å; L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 2.88Å
344Y75.2Confident78.7Confident116 Ų116105 Ų10546%0.45551%0.508SS..Hα-helixtrans-97.9-35.1-179.8-171.2-91.3000111.7E340 L341 E342E340-Y344 PolarHBondContact O-N 3.04Å; L341-Y344 WeakPolarHBondContact O-CA 3.44Å; L341-Y344 PolarHBondContact O-N 3.42Å; E342-Y344 VanDerWaalsContact C-N 3.29Å; E342-Y344 PolarHBondContact O-N 3.21Å
345Y71Confident78.5Confident156 Ų156103.9 Ų103.961%0.61251%0.508SS*.Hα-helixtrans-107.6-7.1-179.7-63.2-73.4000114.4L341L341-Y345 HydrophobicContact CD2-CD2 4.45Å; L341-Y345 HydrophobicContact CD2-CE2 3.97Å; L341-Y345 WeakPolarHBondContact O-CD2 3.31Å; L341-Y345 PolarHBondContact O-N 3.49Å
346G71.5Confident77.7Confident49 Ų49103 Ų10351%0.50551%0.505SS..SBendtrans-82.9-10-174.900000116.4E342 P348E342-G346 WeakPolarHBondContact O-CA 3.49Å; E342-G346 PolarHBondContact O-N 2.92Å; G346-P348 WeakPolarHBondContact O-CD 3.46Å
347D71Confident77Confident109 Ų109103.4 Ų103.458%0.58350%0.503SS*.  trans-99.886.8172.3-80.5-36000109.6Q349 K350D347-Q349 PolarHBondContact O-N 3.07Å; D347-K350 HydrophobicContact CB-CB 4.19Å; D347-K350 PolarHBondContact O-N 2.97Å; D347-K350 VanDerWaalsContact O-N 3.1Å
348P63.6Low76.4Confident91 Ų91107.7 Ų107.759%0.59152%0.52SS*.Hα-helixtrans-60.9-33.9-176.224.2-34.7000112.5G346 K350 L351 E352G346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-K350 VanDerWaalsContact C-N 3.25Å; P348-K350 PolarHBondContact O-N 2.78Å; P348-L351 PolarHBondContact O-N 3.37Å; P348-E352 WeakPolarHBondContact O-CB 3.45Å; P348-E352 PolarHBondContact O-N 2.94Å
349Q63.7Low76Confident152 Ų152105.6 Ų105.671%0.7152%0.518SS*.Hα-helixtrans-60.2-33.3177.5-64.5-171-56.100112.9D347 E352 E353D347-Q349 PolarHBondContact O-N 3.07Å; Q349-E352 PolarHBondContact O-N 3.46Å; Q349-E353 PolarHBondContact O-N 2.72Å
350K69.7Low75.7Confident107 Ų107109.7 Ų109.747%0.46554%0.535SS..Hα-helixtrans-72.6-39.8178.4-173.9-174.6169.3-69.70111.1D347 P348 E352 E353 E354D347-K350 HydrophobicContact CB-CB 4.19Å; D347-K350 PolarHBondContact O-N 2.97Å; D347-K350 VanDerWaalsContact O-N 3.1Å; P348-K350 VanDerWaalsContact C-N 3.25Å; P348-K350 PolarHBondContact O-N 2.78Å; K350-E352 VanDerWaalsContact C-N 3.28Å; K350-E353 PolarHBondContact O-N 3.18Å; K350-E354 IonicContact NZ-OE2 2.68Å; K350-E354 PolarHBondContact NZ-OE2 3.42Å; K350-E354 VanDerWaalsContact O-CB 3.31Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.88Å
351L69.9Low75.5Confident101 Ų101114.3 Ų114.353%0.52956%0.557SS.*Hα-helixtrans-65.7-35.8174-174.468.5000110.9P348 E354 V355P348-L351 PolarHBondContact O-N 3.37Å; L351-E354 PolarHBondContact O-N 3.48Å; L351-V355 WeakPolarHBondContact O-CB 3.44Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.2Å; L351-V355 PolarHBondContact O-N 2.75Å
352E74.2Confident75.1Confident121 Ų121116.2 Ų116.257%0.56557%0.567SS**Hα-helixtrans-68.4-40175.9-167.3170.3-150.700112.4P348 Q349 K350 M356P348-E352 WeakPolarHBondContact O-CB 3.45Å; P348-E352 PolarHBondContact O-N 2.94Å; Q349-E352 PolarHBondContact O-N 3.46Å; K350-E352 VanDerWaalsContact C-N 3.28Å; E352-M356 HydrophobicContact CG-CE 4.03Å; E352-M356 WeakPolarHBondContact O-CB 3.3Å; E352-M356 WeakPolarHBondContact O-CE 3.23Å; E352-M356 PolarHBondContact O-N 3.05Å
353E74.8Confident74.8Confident121 Ų121116.2 Ų116.257%0.56557%0.567SS**Hα-helixtrans-64.1-40.1169.2-80.5-170.5132.200112.9Q349 K350 M356 Q357Q349-E353 PolarHBondContact O-N 2.72Å; K350-E353 PolarHBondContact O-N 3.18Å; E353-M356 PolarHBondContact O-N 2.83Å; E353-Q357 WeakPolarHBondContact O-CG 3.16Å; E353-Q357 PolarHBondContact O-N 2.9Å
354E75.7Confident74.7Confident88 Ų88114.5 Ų114.541%0.41156%0.564SS.*Hα-helixtrans-68.7-42.6-178.8-161.8154.5-173.400110.5K350 L351 Q357 E358K350-E354 IonicContact NZ-OE2 2.68Å; K350-E354 PolarHBondContact NZ-OE2 3.42Å; K350-E354 VanDerWaalsContact O-CB 3.31Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.88Å; L351-E354 PolarHBondContact O-N 3.48Å; E354-Q357 PolarHBondContact O-N 3.06Å; E354-E358 PolarHBondContact O-N 3.19Å; E354-E358 VanDerWaalsContact O-N 3.12Å
355V78.8Confident74.6Confident71 Ų71113.3 Ų113.343%0.4357%0.565SS.*Hα-helixtrans-66.6-38.1172.31700000112.4L351 Q357 E358 L359L351-V355 WeakPolarHBondContact O-CB 3.44Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.2Å; L351-V355 PolarHBondContact O-N 2.75Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.24Å; V355-E358 PolarHBondContact O-N 2.84Å; V355-L359 HydrophobicContact CG1-CD1 3.99Å; V355-L359 HydrophobicContact CG1-CG 4.45Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.02Å; V355-L359 PolarHBondContact O-N 3.36Å
356M75.4Confident74.7Confident109 Ų109110 Ų11054%0.53756%0.561SS.*Hα-helixtrans-61.3-39.8173.3-99.5-177.3-76.800112.1E352 E353 L359 D360E352-M356 HydrophobicContact CG-CE 4.03Å; E352-M356 WeakPolarHBondContact O-CB 3.3Å; E352-M356 WeakPolarHBondContact O-CE 3.23Å; E352-M356 PolarHBondContact O-N 3.05Å; E353-M356 PolarHBondContact O-N 2.83Å; M356-L359 PolarHBondContact O-N 2.82Å; M356-D360 PolarHBondContact O-N 2.75Å
357Q77.4Confident74.7Confident134 Ų134110.7 Ų110.763%0.62656%0.562SS**Hα-helixtrans-69.5-38179-73.4171.644.700112.5E353 E354 V355 L359 E361E353-Q357 WeakPolarHBondContact O-CG 3.16Å; E353-Q357 PolarHBondContact O-N 2.9Å; E354-Q357 PolarHBondContact O-N 3.06Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.24Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-E361 PolarHBondContact O-N 3.02Å
358E79.3Confident74.4Confident143 Ų143111.3 Ų111.367%0.66857%0.565SS**Hα-helixtrans-65.8-34.1172.1-70.1-168.1159.200112.4E354 V355 L362E354-E358 PolarHBondContact O-N 3.19Å; E354-E358 VanDerWaalsContact O-N 3.12Å; V355-E358 PolarHBondContact O-N 2.84Å; E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.47Å; E358-L362 PolarHBondContact O-N 3.2Å
359L79.3Confident74.5Confident102 Ų102113 Ų11353%0.53457%0.569SS.*Hα-helixtrans-70.6-43.3174.9-72.7170.8000112.5V355 M356 Q357 E361 L362 E363V355-L359 HydrophobicContact CG1-CD1 3.99Å; V355-L359 HydrophobicContact CG1-CG 4.45Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.02Å; V355-L359 PolarHBondContact O-N 3.36Å; M356-L359 PolarHBondContact O-N 2.82Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 3.31Å; L359-L362 PolarHBondContact O-N 2.99Å; L359-E363 PolarHBondContact O-N 3.25Å
360D82.2Confident74.5Confident120 Ų120113 Ų11364%0.64257%0.571SS**Hα-helixtrans-59.1-43.1174.3-109.633.8000111.4M356 K364M356-D360 PolarHBondContact O-N 2.75Å; D360-K364 VanDerWaalsContact O-CB 3.3Å; D360-K364 WeakPolarHBondContact O-CB 3.25Å; D360-K364 PolarHBondContact O-N 3.47Å; D360-K364 VanDerWaalsContact O-N 3.1Å
361E83.4Confident73.5Confident131 Ų131115.1 Ų115.161%0.61259%0.586SS**Hα-helixtrans-68.8-35.4177.1-173.8160.5-136.700111.9Q357 L359 L365Q357-E361 PolarHBondContact O-N 3.02Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 3.31Å; E361-L365 HydrophobicContact CG-CD1 4.27Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.31Å; E361-L365 PolarHBondContact O-N 3.45Å
362L75.3Confident72.5Confident103 Ų103119.1 Ų119.154%0.53960%0.602SS.*Hα-helixtrans-72.2-41.7176.4-170.465.7000112.8E358 L359 K364 L365 V366E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.47Å; E358-L362 PolarHBondContact O-N 3.2Å; L359-L362 PolarHBondContact O-N 2.99Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 2.85Å; L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 2.92Å
363E78.6Confident70.9Confident146 Ų146121.2 Ų121.268%0.68262%0.617SS**Hα-helixtrans-60.7-44.2174.7-178.9171.6163.700110.5L359 L365 V366 A367L359-E363 PolarHBondContact O-N 3.25Å; E363-L365 PolarHBondContact O-N 3.33Å; E363-V366 WeakPolarHBondContact O-CB 3.33Å; E363-V366 PolarHBondContact O-N 3.36Å; E363-V366 VanDerWaalsContact O-N 3.14Å; E363-A367 PolarHBondContact O-N 3.1Å
364K79Confident69.1Low135 Ų135123 Ų12359%0.58763%0.63SS**Hα-helixtrans-60.7-42.8174.4-175.5-176.9172.7-165.50112.6D360 L362 V366 A367 D368D360-K364 VanDerWaalsContact O-CB 3.3Å; D360-K364 WeakPolarHBondContact O-CB 3.25Å; D360-K364 PolarHBondContact O-N 3.47Å; D360-K364 VanDerWaalsContact O-N 3.1Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.24Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 3.1Å; K364-A367 PolarHBondContact O-N 2.89Å; K364-D368 WeakPolarHBondContact O-CB 3.42Å; K364-D368 PolarHBondContact O-N 2.85Å
365L73.3Confident67.1Low90 Ų90123.7 Ų123.747%0.47165%0.645SS.*Hα-helixtrans-66.2-29.2174.9-78.7167.4000112.9E361 L362 E363 N369E361-L365 HydrophobicContact CG-CD1 4.27Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.31Å; E361-L365 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 2.85Å; E363-L365 PolarHBondContact O-N 3.33Å; L365-N369 PolarHBondContact O-ND2 3.32Å
366V73.6Confident65Low88 Ų88126.5 Ų126.553%0.53366%0.662SS.*Hα-helixtrans-71.1-45.4171.4169.60000110.7L362 E363 K364 N369 M370L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 2.92Å; E363-V366 WeakPolarHBondContact O-CB 3.33Å; E363-V366 PolarHBondContact O-N 3.36Å; E363-V366 VanDerWaalsContact O-N 3.14Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 3.1Å; V366-N369 PolarHBondContact O-N 3.06Å; V366-N369 VanDerWaalsContact O-N 3.13Å; V366-M370 PolarHBondContact O-N 3.27Å
367A70Confident63Low62 Ų62127.3 Ų127.351%0.51267%0.673SS.*Hα-helixtrans-60.3-45.8177.200000112.3E363 K364 N369 M370E363-A367 PolarHBondContact O-N 3.1Å; K364-A367 PolarHBondContact O-N 2.89Å; A367-N369 PolarHBondContact O-N 2.81Å; A367-N369 VanDerWaalsContact O-N 3.09Å; A367-M370 PolarHBondContact O-N 3.18Å; A367-M370 VanDerWaalsContact O-N 3.13Å
368D66.3Low60.8Low123 Ų123127.6 Ų127.666%0.65868%0.677SS**THydrogen-bonded Turntrans-64.2-11.5177.3-78.1-19.6000113.5K364K364-D368 WeakPolarHBondContact O-CB 3.42Å; K364-D368 PolarHBondContact O-N 2.85Å
369N64.1Low58.4Low127 Ų127127.1 Ų127.168%0.67968%0.679SS**THydrogen-bonded Turntrans-104.8-1.1176.4-81.5-83000114.4L365 V366 A367 I371L365-N369 PolarHBondContact O-ND2 3.32Å; V366-N369 PolarHBondContact O-N 3.06Å; V366-N369 VanDerWaalsContact O-N 3.13Å; A367-N369 PolarHBondContact O-N 2.81Å; A367-N369 VanDerWaalsContact O-N 3.09Å; N369-I371 PolarHBondContact O-N 2.86Å
370M65.2Low56.1Low152 Ų152128.9 Ų128.975%0.74969%0.688SS**  trans-82.799.1175-70.3-167.36700111.2V366 A367V366-M370 PolarHBondContact O-N 3.27Å; A367-M370 PolarHBondContact O-N 3.18Å; A367-M370 VanDerWaalsContact O-N 3.13Å
371I47Very low53.6Low151 Ų151128.5 Ų128.577%0.77469%0.689SS**  trans-81126.9171.3-60.4176.5000109.5N369 D373N369-I371 PolarHBondContact O-N 2.86Å; I371-D373 PolarHBondContact O-N 3.06Å
372E50.1Low51.2Low184 Ų184131 Ų13186%0.8670%0.701SS**  trans-7698.4175.8-63.4179.7142.800111.1D374E372-D374 VanDerWaalsContact C-N 3.31Å; E372-D374 PolarHBondContact O-N 3.09Å
373D40.2Very low49Very low166 Ų166130.2 Ų130.289%0.88871%0.709SS**  trans-76.774.9172.3-100.4-21.2000111I371I371-D373 PolarHBondContact O-N 3.06Å
374D36.8Very low46.7Very low157 Ų157132.4 Ų132.484%0.8472%0.72SS**  trans-97.7127.1-177.2-16024.8000112.8E372E372-D374 VanDerWaalsContact C-N 3.31Å; E372-D374 PolarHBondContact O-N 3.09Å
375S34.5Very low44.4Very low104 Ų104130.8 Ų130.873%0.72773%0.725SS**  trans-151.3136.2179.179.40000116.4
376V35.1Very low42.1Very low129 Ų129131.4 Ų131.478%0.78274%0.737SS**  trans86.974162-161.70000119.4
377V33.3Very low40Very low126 Ų126132.5 Ų132.576%0.76475%0.749SS**  35.9131.3125.3-152.20000120.5
378I30Very low38Very low141 Ų141135.7 Ų135.772%0.72376%0.762SS**  170.7129.8118.3-88.9170.3000114.6
379N30.1Very low36.2Very low133 Ų133133.7 Ų133.771%0.71177%0.771SS**  trans70.8147.4158.6-72.5-6.1000120.7
380I30.3Very low34.4Very low138 Ų138133.5 Ų133.571%0.70878%0.779SS**  cis-167160.8-16.9-119.7169.4000110.3
381V30.4Very low32.8Very low112 Ų112131.6 Ų131.668%0.67978%0.781SS**  trans87.6111174.8-168.60000119.9
382E31.5Very low32.6Very low184 Ų184130 Ų13086%0.8678%0.78SS**  27.7150.8127.9-43.5174.3157.200121.7
383A28.9Very low31.6Very low86 Ų86126 Ų12671%0.71177%0.773SS**  cis-153.9150.218.200000115.1
384E31.7Very low31.2Very low193 Ų193128 Ų12890%0.90277%0.773SS**  trans34.1147.9145.4-52.5-165.6156.800122.5
385S29.5Very low30.9Very low100 Ų100129.4 Ų129.470%0.69978%0.775SS**  cis-162.9145.537.2600000116.8
386S26.2Very low32.2Very low103 Ų103129.7 Ų129.772%0.7277%0.774SS**  trans47117.7150.960.30000121.6
387S29.5Very low32.5Very low112 Ų112129.6 Ų129.678%0.78378%0.776SS**  79136.374.4-155.90000113.7
388T28.2Very low32.4Very low129 Ų129129 Ų12979%0.79177%0.769SS**  cis-161.8144.949.851.40000115.6
389G27.2Very low32.7Very low81 Ų81132.2 Ų132.284%0.83578%0.778SS**  trans68.4154.3147.400000120.3
390S27.3Very low32.7Very low122 Ų122135.8 Ų135.885%0.85378%0.781SS**  cis-159.4155.9-7.662.10000111.6
391S31.6Very low33.5Very low112 Ų112134 Ų13478%0.78378%0.779SS**  trans-99173.3170.2-440000111
392P43.2Very low33.6Very low117 Ų117137.4 Ų137.476%0.7678%0.784SS**  -155.1140.18639.2-19.3000118.6
393S27.5Very low33.4Very low101 Ų101135.6 Ų135.671%0.70678%0.778SS**  trans48.5132.1137.471.20000123.1
394K31.9Very low33.4Very low208 Ų208136.7 Ų136.790%0.90478%0.776SS**  -156.1145.9104.3-108.9169.9-174.9175.50112.1
395E31.9Very low33.5Very low187 Ų187134.2 Ų134.287%0.87477%0.766SS**  trans-103.9165.6-170.9-93.6-174.3114.300114
396P59.9Low33.5Very low109 Ų109136.3 Ų136.371%0.70876%0.764SS**  trans-93.1-166.7-178.340.7-38.3000112.5
397P42.4Very low33.8Very low128 Ų128137 Ų13783%0.83176%0.76SS**  trans-123.8129.2149.534.4-23.5000114
398D31.5Very low33.9Very low114 Ų114138.8 Ų138.861%0.6175%0.753SS**  trans-68.8144.1171.4167.432.9000113R400D398-R400 PolarHBondContact OD1-N 3.4Å
399K35Very low34.1Very low207 Ų207139.4 Ų139.490%0.975%0.748SS**  trans-144.788.2150-71.6-161.6178.5176.70114.1
400R30Very low34.3Very low209 Ų209142.2 Ų142.279%0.78974%0.743SS**  trans-48.3172.7143.6-67.8168.5170.9-169.4-1.5111.9D398D398-R400 PolarHBondContact OD1-N 3.4Å
401P48Very low34.5Very low101 Ų101144.8 Ų144.866%0.65675%0.747SS**  cis-151.1172.92045.1-25.5000120.1
402K32.2Very low34.4Very low183 Ų183147.9 Ų147.980%0.79675%0.749SS**  trans66.5156.5147.4-74.5163.5175.3-172.10117.6
403M28.3Very low34.3Very low146 Ų146147 Ų14772%0.71974%0.743SS**  cis-157.2178.6-1.4-120.2149.261.600107.4
404T29.5Very low34.2Very low109 Ų109147.8 Ų147.867%0.66974%0.744SS**  cis-159.6155.516.1-8.60000111.4
405M32.3Very low34Very low140 Ų140143.7 Ų143.769%0.6974%0.736SS**  11153.1127.7-62-5.9-157.300120.9
406E30Very low33.8Very low145 Ų145139.7 Ų139.768%0.67873%0.729SS**  cis-168.4159.1-1.7-111.5157.3178.800112.2
407D31.7Very low32.3Very low116 Ų116144.2 Ų144.262%0.6274%0.737SS**  trans67126.8139.1-78.414.3000127.8
408K33.3Very low31.6Very low150 Ų150142.5 Ų142.565%0.65273%0.734SS**  74.1150.1128.1-66.5174.9-178.2-78.30120.6
409E31.8Very low31.3Very low143 Ų143143.2 Ų143.267%0.66875%0.748SS**  cis-157169.9-14.6-122.6162.3-149.400111.7
410N31.1Very low31.1Very low139 Ų139141.2 Ų141.274%0.74375%0.747SS**  trans-27.4142.1178.8-62.6-72.3000120.3
411L31.6Very low30.9Very low176 Ų176138.2 Ų138.292%0.92175%0.752SS**  175.5153.5103.1-89.5173.8000113.8
412Q28.4Very low30.1Very low178 Ų178139.5 Ų139.583%0.83276%0.757SS**  trans-102179.1173.1-113.7-168.4-6.400110.3
413P42.2Very low30.3Very low98 Ų98136.5 Ų136.564%0.63676%0.756SS**  cis-142.8-166.214.840.7-18.3000117.4
414T25.8Very low30.2Very low118 Ų118133.6 Ų133.672%0.72476%0.756SS**  trans83.2126.6147.8420000124.9
415T27.1Very low30.3Very low121 Ų121137 Ų13774%0.74276%0.764SS**  trans71.895.4139.754.30000124.5
416S27.5Very low30Very low104 Ų104134.3 Ų134.373%0.72776%0.759SS**  67.7123.4121.367.50000125
417K28.8Very low30.1Very low203 Ų203132.4 Ų132.488%0.88376%0.758SS**  trans75.7112.2147.6-68.9-177.7178.2-179.70121.1
418A27.2Very low30.1Very low92 Ų92137.1 Ų137.176%0.7677%0.767SS**  137.8146.8116.300000116.7
419S26.3Very low30Very low130 Ų130135.3 Ų135.391%0.90977%0.772SS**  trans79144.7159.4-54.40000120.2
420L29.2Very low29.9Very low165 Ų165135 Ų13586%0.86478%0.78SS**  trans-102.7134.9-178.2-79.6155.3000112.6
421T25.9Very low29.9Very low146 Ų146133.5 Ų133.590%0.89678%0.78SS**  trans-169158.5130.95.10000111.6
422V32.9Very low30.6Very low128 Ų128131.4 Ų131.478%0.77678%0.777SS**  trans-119.9147.5-172.8-1690000109.8
423P35.8Very low30.8Very low119 Ų119128.4 Ų128.477%0.77377%0.767SS**  -149.3134.1121.434.4-17.2000116.2
424A25.5Very low30.6Very low86 Ų86131.3 Ų131.371%0.71178%0.776SS**  trans65.8156.5148.300000119.1
425Q31.9Very low31Very low179 Ų179135.3 Ų135.384%0.83678%0.784SS**  cis-170.9163.3-18.6-106.8-153.692.100107
426S26.7Very low31.2Very low84 Ų84133 Ų13359%0.58778%0.777SS**  cis-172.2-169.6-10.2-169.60000109
427T30.9Very low31.4Very low106 Ų106135.5 Ų135.565%0.6578%0.782SS**  trans74.8140.3169.9730000117.7
428R32.3Very low31.5Very low214 Ų214130.5 Ų130.581%0.80877%0.773SS**  cis-151141.4-13.8-107.5163.6179.9149.3-1.6106.8
429C32.1Very low31.7Very low113 Ų113134.6 Ų134.676%0.76478%0.776SS**  57.7143.975.5-40.30000112.9
430T29.4Very low32Very low136 Ų136135.5 Ų135.583%0.83477%0.771SS**  cis-154.6157.224.441.80000112.6
431S30.3Very low32.3Very low107 Ų107135.9 Ų135.975%0.74877%0.768SS**  trans-110.8163.3147.152.30000110.1
432P45.7Very low32.7Very low132 Ų132134.1 Ų134.186%0.85776%0.759SS**  trans-82156.5-163.9-14.231.2000116.1
433D34.3Very low32.5Very low115 Ų115135.2 Ų135.262%0.61576%0.761SS**  trans-101.3155.7173-176.69.7000110.9F435D433-F435 PolarHBondContact OD1-N 2.83Å
434L36.1Very low32.1Very low159 Ų159137 Ų13783%0.83276%0.763SS**  trans-144.510.6177-82.7-178.4000114.7
435F34.9Very low32.2Very low202 Ų202138 Ų13889%0.88676%0.759SS**  trans-129.434.7-179.6-70.6-70.1000114.5D433D433-F435 PolarHBondContact OD1-N 2.83Å
436A31.9Very low31.9Very low73 Ų73135.4 Ų135.460%0.60376%0.756SS**  trans-109.986172.900000111.9
437D31.9Very low31.9Very low157 Ų157137.1 Ų137.184%0.8476%0.763SS**  trans-174.4127.6158.6-104.3-29.1000108.2
438S30.3Very low31.6Very low98 Ų98135.9 Ų135.969%0.68576%0.764SS**  cis-150.3177-2.9-48.70000111.5
439E31.5Very low31.4Very low177 Ų177133.3 Ų133.383%0.82776%0.764SS**  trans-42.1164.3159.6-57.9164.9154.300113.9
440D32.4Very low31.1Very low149 Ų149132 Ų13280%0.79776%0.756SS**  cis-160.2163.911.5-135.7-8000111.7
441E36.3Very low30.9Very low174 Ų174132.6 Ų132.681%0.81375%0.754SS**  trans-117.6117.2178-105.5-84.8179.700112.2
442P34.4Very low30.9Very low108 Ų108136.3 Ų136.370%0.70176%0.76SS**  trans-102.1100.7-179.935.7-30.4000114.2
443D28.7Very low30.9Very low151 Ų151134.7 Ų134.781%0.80775%0.749SS**  trans-66.3126.2176.7-152.3-7.2000112.9
444I27.7Very low30.7Very low158 Ų158137.6 Ų137.681%0.8176%0.759SS**  trans-128.9101.6171.3-59.1-173.5000113.4
445V26.3Very low30.3Very low105 Ų105136.8 Ų136.864%0.63676%0.756SS**  trans-45.8141.1169.1179.70000116.6
446T26Very low30.2Very low125 Ų125132.7 Ų132.777%0.76775%0.747SS**  178.8118.5125.326.40000111.4
447T26.4Very low30Very low121 Ų121139.8 Ų139.874%0.74276%0.758SS**  54.8141.287.870.20000115.6
448A25.7Very low29.9Very low80 Ų80138.7 Ų138.766%0.66175%0.752SS**  cis-159.1158.316.400000111
449I27.3Very low29.7Very low159 Ų159141.2 Ų141.282%0.81576%0.757SS**  56.9129.389.4-56.6176.3000113.8
450S24.7Very low29.4Very low85 Ų85137.9 Ų137.959%0.59475%0.754SS**  cis-175.3169.6-10.852.80000111
451N26.3Very low29.1Very low150 Ų150137.7 Ų137.780%0.80275%0.75SS**  155.8113.4126.1-77.1-18.9000115.6
452E30.1Very low28.9Very low184 Ų184138.4 Ų138.486%0.8675%0.75SS**  trans-68.8171142.8-104.5174.9-167.500109.7
453P46.5Very low28.7Very low98 Ų98137.8 Ų137.864%0.63674%0.744SS**  cis-156-160.345.444.3-21000117.8
454E28.7Very low28.7Very low176 Ų176139.7 Ų139.782%0.82274%0.741SS**  trans79.6142.2152.5-76.9171.9-147.600119.8
455D29Very low28.7Very low142 Ų142138.9 Ų138.976%0.75973%0.732SS**  cis-155.6-179.5-22.3-157.312.5000112.1
456V31.5Very low28.7Very low117 Ų117140.5 Ų140.571%0.70974%0.737SS**  trans-70.7164.6-173.3-143.50000115.5
457R28.3Very low28.8Very low222 Ų222140.8 Ų140.884%0.83874%0.738SS**  trans101.8147.8163.3-58.5176.8-165.81767.2114.2
458N30.9Very low28.8Very low133 Ų133139.6 Ų139.671%0.71174%0.735SS**  cis-150.6-176.413.7-126.6-11000113.3
459L24.7Very low28.7Very low152 Ų152143.4 Ų143.480%0.79674%0.742SS**  trans-32.9153.6170.3-73.872.6000115.8
460S26.6Very low28.7Very low107 Ų107139.7 Ų139.775%0.74873%0.731SS**  -162.7158.555-177.80000116.3
461M25.8Very low29Very low144 Ų144144 Ų14471%0.70974%0.741SS**  trans-66.2148.2166.5-53.3159.161.800113
462K31.5Very low29Very low190 Ų190148 Ų14883%0.82675%0.745SS**  163.9161.6115.4-87.9162.1-177.1173.50112
463V29.2Very low28.8Very low95 Ų95144.4 Ų144.458%0.57674%0.74SS**  cis173.6136.2-45.1137.80000108.7
464Y28.7Very low27.8Very low191 Ų191145 Ų14575%0.74975%0.746SS**  trans63.2165.5167.2-68.5-23.8000117.2
465K27.8Very low27.7Very low140 Ų140141.4 Ų141.461%0.60974%0.741SS**  cis-153.5143.7-16.6-111.8162.4-176.7173.60106.6
466N27Very low27.7Very low139 Ų139141.1 Ų141.174%0.74374%0.744SS**  57.6159.691.2-57.326.6000115.8
467V27.4Very low27.5Very low132 Ų132139.2 Ų139.280%0.874%0.741SS**  trans80.9107.5-177.3-170.30000111.2
468S26.5Very low27.3Very low95 Ų95137.3 Ų137.366%0.66474%0.741SS**  cis81.8141.417.3-370000116.4
469I25.3Very low27.2Very low160 Ų160138.9 Ų138.982%0.82175%0.748SS**  trans87.5104.8161.2-61.3165.4000118
470S26.8Very low27.2Very low82 Ų82139 Ų13957%0.57375%0.745SS**  trans64.9131.1131.9-67.50000125.5
471E31.4Very low27.2Very low175 Ų175141.8 Ų141.882%0.81875%0.749SS**  58.2131.5126.9-60.7152.9-124.300121.4
472R25Very low27.2Very low235 Ų235139.3 Ų139.389%0.88774%0.742SS**  164.7137.795.4179.4174.2-173.1145.64.9113.1
473S25.5Very low27.1Very low107 Ų107134.9 Ų134.975%0.74874%0.735SS**  trans140.7125.2154.767.80000109.8
474S25.7Very low27Very low110 Ų110134.9 Ų134.977%0.76974%0.739SS**  cis65.6125.930.2-153.40000111.8
475S26.5Very low26.9Very low102 Ų102133.1 Ų133.171%0.71374%0.743SS**  cis-165.6171.711.747.70000110
476V29.5Very low26.8Very low135 Ų135132.7 Ų132.782%0.81875%0.747SS**  trans153.7142.1141.31570000112.8
477A26.5Very low27.1Very low77 Ų77134 Ų13464%0.63675%0.749SS**  trans64.3136.2169.200000116.7
478E25.2Very low27.5Very low183 Ų183132.9 Ų132.986%0.85574%0.744SS**  cis66.9125.145.9-58.1171.6-165.500110.8
479I29.3Very low27.3Very low165 Ų165131.7 Ų131.785%0.84674%0.736SS**  cis-141.2158.146.4-76.5163000112.2
480E24Very low27.3Very low156 Ų156131.8 Ų131.873%0.72973%0.733SS**  trans-71.4161.6175.1-66.2172.2124.800112.8V482E480-V482 HydrophobicContact CB-CG2 3.76Å; E480-V482 HydrophobicContact CG-CG2 3.94Å
481I25.9Very low27.3Very low165 Ų165135.3 Ų135.385%0.84674%0.744SS**  -160.2126.677.8-76.2150.1000106.4
482V26.8Very low27.1Very low92 Ų92131.7 Ų131.756%0.55873%0.734SS**  cis90.3104.834.8-179.60000113.9E480E480-V482 HydrophobicContact CB-CG2 3.76Å; E480-V482 HydrophobicContact CG-CG2 3.94Å
483S28.2Very low27.3Very low96 Ų96126.7 Ų126.767%0.67173%0.73SS**  trans68.1170.1153.6-56.50000117.3
484S28.6Very low27.3Very low96 Ų96131.2 Ų131.267%0.67173%0.732SS**  cis-151.8171.214.3-24.60000110.6
485N26.2Very low27.5Very low153 Ų153133.3 Ų133.382%0.81873%0.729SS**  cis-138.315415.1-97.4-49.4000112.6
486D25.4Very low27.5Very low132 Ų132134.7 Ų134.771%0.70673%0.733SS**  trans-82.9178.9172.5-51-91.8000113.1
487E34.2Very low27.2Very low165 Ų165135.5 Ų135.577%0.77173%0.726SS**  trans24.7143.2135.2-80.9-81.1134.800119.6S489E487-S489 PolarHBondContact OE2-N 3.47Å; E487-S489 VanDerWaalsContact OE2-N 3.15Å
488P34.4Very low27.1Very low109 Ų109138 Ų13871%0.70874%0.739SS**  -154.3170.855.543.8-23.8000120.9
489S23.7Very low27.3Very low70 Ų70134.2 Ų134.249%0.4973%0.732SS.*  trans101.4116.3138.7-70.30000120.6E487E487-S489 PolarHBondContact OE2-N 3.47Å; E487-S489 VanDerWaalsContact OE2-N 3.15Å
490Q24.5Very low27.5Very low163 Ų163133.5 Ų133.576%0.76273%0.73SS**  61.5129.3126.7-53.3165.555.900119.3
491I26.8Very low27.7Very low155 Ų155134.4 Ų134.480%0.79574%0.735SS**  180139.8105.7-92.3163.7000111.8
492T27.5Very low28Very low99 Ų99132 Ų13261%0.60773%0.727SS**  trans-4126.5172.461.20000121.3Y494T492-Y494 HydrophobicContact CG2-CD2 4.37Å; T492-Y494 HydrophobicContact CG2-CE2 4.04Å
493T28Very low28.2Very low131 Ų131135.9 Ų135.980%0.80474%0.737SS**  trans-59.2136.7140.4-47.20000110.2
494Y26.6Very low28.1Very low202 Ų202137.2 Ų137.279%0.79274%0.741SS**  trans-138.4117.1157.1-97.3-77.7000110.1T492T492-Y494 HydrophobicContact CG2-CD2 4.37Å; T492-Y494 HydrophobicContact CG2-CE2 4.04Å
495E28.7Very low28Very low154 Ų154139 Ų13972%0.7275%0.747SS**  trans-73.6157.7154.9-55.8173.2137.200108.6
496V26.7Very low28.2Very low131 Ų131136.2 Ų136.279%0.79474%0.74SS**  trans-167119.9134.4140.60000110.4
497F24.6Very low28.2Very low151 Ų151137.8 Ų137.866%0.66275%0.748SS**  trans-9150.1158.5-49.6-89.2000120.7
498S23.8Very low27.9Very low130 Ų130133.8 Ų133.891%0.90974%0.743SS**  -136.2133.6116.1-760000109.8
499S29.2Very low27.6Very low103 Ų103134.3 Ų134.372%0.7275%0.745SS**  trans-107.3163.1-178.7-62.20000111.1
500D32.7Very low27.8Very low150 Ų150137.9 Ų137.980%0.80275%0.754SS**  trans-70.8135.6176.2-157.83.4000111.3
501E29.7Very low27.9Very low176 Ų176137.8 Ų137.882%0.82275%0.753SS**  trans-158.7152162.3-131.3-169.9-117.300112.5
502V32.6Very low27.9Very low113 Ų113139 Ų13969%0.68575%0.753SS**  trans-133.8135.8-157.5-168.90000112.6
503K29.6Very low27.8Very low175 Ų175141.6 Ų141.676%0.76176%0.762SS**  trans-167.4146.5155.5-105.2135-162.4158.80117.3
504T27.3Very low27.6Very low123 Ų123140 Ų14076%0.75576%0.756SS**  trans61116.3157.750.40000119.2
505V25.8Very low27.6Very low133 Ų133138.7 Ų138.781%0.80675%0.754SS**  cis75.8124.838.6-178.10000113.1
506S29.4Very low27.5Very low95 Ų95137.6 Ų137.666%0.66475%0.754SS**  cis-173.6151.6-1655.90000110.9
507N27.4Very low27.7Very low165 Ų165138.4 Ų138.488%0.88275%0.753SS**  trans-170145.8151.1-91.1-35.5000109.3
508A27.1Very low27.9Very low81 Ų81140 Ų14067%0.66976%0.76SS**  cis-146.4154.67.500000113.1
509T27.5Very low28.8Very low121 Ų121138.9 Ų138.974%0.74275%0.75SS**  trans21136.3135.4-18.30000118.5
510Q28.9Very low28.8Very low145 Ų145140.7 Ų140.768%0.67875%0.75SS**  cis-164.5136.142.1-168.8158.10.900115.3
511E26.1Very low28.7Very low160 Ų160140 Ų14075%0.74875%0.746SS**  trans54.2166.3152.8-69.8161.2-144.600123.1
512K27.4Very low28.8Very low181 Ų181137.8 Ų137.879%0.78774%0.74SS**  -171.5160.9-65.8-122.1-172.2178-175.70111.4
513I25.1Very low28.4Very low154 Ų154140.6 Ų140.679%0.7974%0.743SS**  trans71.2145.9161.6-60.4150000114.7
514S23.2Very low28.4Very low98 Ų98138 Ų13869%0.68574%0.736SS**  cis-175.3175-26.369.90000107.1
515F26Very low28.5Very low173 Ų173137.7 Ų137.776%0.75973%0.73SS**  cis-167.1159.6-11-128.4-141.5000107.9
516D27.6Very low28.6Very low132 Ų132138.6 Ų138.671%0.70673%0.73SS**  trans57.7165.6163-45.8-27.3000117.7
517D30.3Very low28.8Very low147 Ų147140.6 Ų140.679%0.78674%0.738SS**  cis-150.3-174.4-16.9-142.6-35.4000110.6
518K29.3Very low28.9Very low184 Ų184141 Ų14180%0.873%0.734SS**  trans-73.7176.7170-59.5-179.1-178.8176.80112.1
519P41.9Very low29.1Very low107 Ų107144.8 Ų144.870%0.69574%0.738SS**  cis-147.3-178.313.549.1-29.9000118.1
520I30.5Very low29Very low142 Ų142147.2 Ų147.273%0.72874%0.739SS**  36.8130.7127.9-61.3168.4000118
521D30Very low28.9Very low136 Ų136147 Ų14773%0.72774%0.743SS**  -168.2176.556.6-133.3-24.5000116.3
522D32.1Very low28.9Very low128 Ų128147.9 Ų147.968%0.68475%0.749SS**  trans60.6109.1147.2-81.7-24.3000126.8
523F24.8Very low28.9Very low173 Ų173145.2 Ų145.276%0.75975%0.747SS**  83.7124.8102.7-140.7-123.1000124.7
524I29.2Very low28.9Very low120 Ų120146 Ų14662%0.61575%0.748SS**  trans62114149.5-82.2-166.4000118.7
525D28.8Very low29Very low117 Ų117149.5 Ų149.563%0.62675%0.751SS**  80.4120.572.217638.3000113.8
526L28.6Very low29Very low152 Ų152147.5 Ų147.580%0.79675%0.748SS**  trans-147.977.4-179.1-77.2179000110.9Q528L526-Q528 PolarHBondContact O-N 3.27Å; L526-Q528 VanDerWaalsContact O-N 3.14Å
527T32.6Very low29Very low137 Ų137149 Ų14984%0.8475%0.751SS**  trans-69.295150.3530000109.1
528Q29.9Very low28.9Very low172 Ų172147 Ų14780%0.80475%0.748SS**  trans-146.3133.6169.8-155.116115.900111.8L526L526-Q528 PolarHBondContact O-N 3.27Å; L526-Q528 VanDerWaalsContact O-N 3.14Å
529E30.5Very low28.8Very low161 Ų161147.3 Ų147.375%0.75275%0.75SS**  trans-88.2178.3-180-61.9176.1139.400111.8
530F26.7Very low28.4Very low172 Ų172147.6 Ų147.675%0.75475%0.751SS**  trans95.8106.9166.8-62.3-79.8000119.3
531D26.7Very low28.1Very low141 Ų141151.7 Ų151.775%0.75476%0.758SS**  trans71.7136133-68.2-27.7000123.9
532M25.3Very low27.8Very low178 Ų178150.9 Ų150.988%0.87776%0.758SS**  trans50.9107.3153.7-64-164.670.200119.4
533V28.1Very low28Very low125 Ų125149.7 Ų149.776%0.75876%0.757SS**  trans-64.4127.1154.6176.80000109.8F535V533-F535 HydrophobicContact CG1-CB 4.14Å; V533-F535 HydrophobicContact CG1-CD2 4.49Å
534E24.9Very low28Very low172 Ų172147.9 Ų147.980%0.80476%0.755SS**  trans-123.2113145.3-166.3173.9-143.200109.8
535F24.9Very low27.8Very low171 Ų171148.8 Ų148.875%0.7576%0.761SS**  trans-98.1117-179.4-146.6-86.3000107.8V533 E537V533-F535 HydrophobicContact CG1-CB 4.14Å; V533-F535 HydrophobicContact CG1-CD2 4.49Å; F535-E537 HydrophobicContact CD1-CG 4.41Å; F535-E537 HydrophobicContact CE1-CG 4.26Å
536N26.5Very low27.8Very low130 Ų130150.4 Ų150.470%0.69577%0.768SS**  trans-129.995.2177.1-93.6-56.6000111.8
537E27.3Very low27.7Very low164 Ų164147.3 Ų147.377%0.76676%0.764SS**  trans-69.4150153.7-61.1-166.2109.900108.7F535F535-E537 HydrophobicContact CD1-CG 4.41Å; F535-E537 HydrophobicContact CE1-CG 4.26Å
538S28.6Very low27.4Very low104 Ų104146 Ų14673%0.72776%0.76SS**  cis-158.8173.512.853.30000112.7
539K27.6Very low27.3Very low192 Ų192142.2 Ų142.284%0.83575%0.753SS**  trans1.3157.7149-71.5170.8-179.1164.40120.2
540P32.8Very low27.1Very low112 Ų112142 Ų14273%0.72775%0.752SS**  cis-143.2178.5-23.139.8-21.5000115.5
541R23.9Very low27.1Very low228 Ų228139 Ų13986%0.8675%0.748SS**  trans55102.7154.1-90.1-174.2161.2152.5-3.7119.8
542T23.9Very low27Very low119 Ų119139.2 Ų139.273%0.7375%0.749SS**  28148.5113.859.70000121.3
543P37.5Very low27.1Very low104 Ų104134.4 Ų134.468%0.67573%0.733SS**  cis-142.5-171.8-3.535.8-13000116.6
544N24.1Very low27.1Very low134 Ų134135.2 Ų135.272%0.71773%0.733SS**  trans99.1110.1146.6-70.7-16.3000122.1
545L25.5Very low27.3Very low139 Ų139132 Ų13273%0.72873%0.725SS**  76.4131.9124.2-68.1170.7000122.1
546I28.2Very low27.5Very low152 Ų152130 Ų13078%0.77972%0.722SS**  trans65.6101.2152-58.9160.3000114.2
547A26.2Very low27.7Very low86 Ų86130 Ų13071%0.71172%0.722SS**  cis96.5138.148.700000114
548S26.9Very low28Very low109 Ų109128.5 Ų128.576%0.76272%0.719SS**  trans67.5123.5165.7-63.80000119.9
549S26.4Very low28Very low94 Ų94130.8 Ų130.866%0.65772%0.723SS**  71.9157.3127.7-64.60000119.6
550E26.5Very low28Very low156 Ų156125.4 Ų125.473%0.72972%0.722SS**  cis-153.4150-2.4-132136-115.700111.3
551T27.2Very low27.7Very low108 Ų108127.5 Ų127.566%0.66373%0.727SS**  trans33.8145.5142.257.70000124.3
552D24.5Very low27.9Very low147 Ų147122.2 Ų122.279%0.78672%0.72SS**  trans75.5150.6134.1-73.42.3000121.4
553S27.9Very low28Very low76 Ų76124.7 Ų124.753%0.53173%0.727SS.*  cis-171.1169.1-19.656.30000110.6
554N27Very low27.7Very low142 Ų142127 Ų12776%0.75973%0.733SS**  trans61.9160.5140.3-73.8-21.4000119.5
555V31Very low27.7Very low104 Ų104126.1 Ų126.163%0.6373%0.728SS**  cis-156.8162.2-8.7-105.20000108.6
556D28.8Very low27.8Very low130 Ų130128.9 Ų128.970%0.69574%0.735SS**  trans63.1154.8140.1-72.6-23.8000122.2
557N31Very low27.6Very low129 Ų129127 Ų12769%0.6974%0.735SS**  cis-170.8-177.2-35.1-141-51.5000110.1
558L32.3Very low27.7Very low133 Ų133128.8 Ų128.870%0.69674%0.742SS**  trans86.8105.3156.1-62.8137.9000121
559N28.3Very low27.6Very low153 Ų153132.7 Ų132.782%0.81875%0.749SS**  76.7128126-59.72.6000122.1
560G27.8Very low27.6Very low79 Ų79136.8 Ų136.881%0.81476%0.757SS**  trans166.464161.100000117.3
561D27.1Very low27.6Very low155 Ų155135.7 Ų135.783%0.82976%0.761SS**  trans-51.9153.2167.8-68.3-37.6000113
562T28Very low27.6Very low118 Ų118135.4 Ų135.472%0.72476%0.763SS**  cis-164.9155.9-3.721.10000108.7
563I26.6Very low27.7Very low170 Ų170134.1 Ų134.187%0.87276%0.764SS**  trans164.8133140.2-87.7156.5000108.5
564L29.9Very low28.1Very low153 Ų153136.8 Ų136.880%0.80178%0.78SS**  trans-85.2135.3175.9-69.1162.8000109.7
565D25.2Very low28.3Very low115 Ų115136.9 Ų136.962%0.61578%0.779SS**  65.9128.279.6-131.910.2000111.5
566F26.8Very low28.8Very low198 Ų198136.1 Ų136.187%0.86878%0.778SS**  cis-126.6148.730-71.5-102.5000115.6
567S24.7Very low29.5Very low112 Ų112138.8 Ų138.878%0.78378%0.784SS**  trans-153.5122.4151.1178.30000110.6
568S27.6Very low30Very low123 Ų123141.2 Ų141.286%0.8679%0.791SS**  trans-65.1139.3-174.3-45.10000114.4
569Q25.4Very low30.5Very low192 Ų192140.3 Ų140.390%0.89779%0.786SS**  trans-150.2136153.9-165.4158.119.800112
570E26.1Very low31.1Very low180 Ų180141.6 Ų141.684%0.84178%0.781SS**  trans-88.6147.6-178.4-49.7171.7127.900112.2
571V25.7Very low31.7Very low133 Ų133141.9 Ų141.981%0.80678%0.775SS**  trans-142.497.6155.7-175.50000111.8
572S28Very low32.3Very low102 Ų102143.1 Ų143.171%0.71377%0.773SS**  trans27.2136.8150.168.30000123
573C26Very low32.9Very low119 Ų119146.7 Ų146.780%0.80478%0.775SS**  trans-108.9147.3145-74.40000110.5
574P37.7Very low33.3Very low133 Ų133141.4 Ų141.486%0.86476%0.756SS**PPolyproline II helixtrans-85.9128.2-173.632.2-34000113.9
575I31.3Very low33.3Very low144 Ų144143.1 Ų143.174%0.73876%0.757SS**PPolyproline II helixtrans-91.8150.2175.1-68.2171.1000111.1
576S40.7Very low33.4Very low87 Ų87143.9 Ų143.961%0.60877%0.766SS**PPolyproline II helixtrans-66.9136.317954.20000112.9E578S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.78Å; S576-E578 VanDerWaalsContact O-N 3.16Å
577K42.9Very low33.5Very low187 Ų187142.6 Ų142.681%0.81376%0.763SS**Hα-helixtrans-74-9.5-161.2-66.6179.3178.8175.90115.8
578E41.9Very low33.6Very low179 Ų179143 Ų14384%0.83676%0.761SS**Hα-helixtrans-84-25.4-174.3-60-167.4151.100113.8S576S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.78Å; S576-E578 VanDerWaalsContact O-N 3.16Å
579L43.4Very low33.7Very low114 Ų114146.8 Ų146.860%0.59776%0.762SS**Hα-helixtrans-73.6-34.7172.5-84.9166.6000112.3A581 K582L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.13Å; L579-K582 PolarHBondContact O-N 3.42Å
580Y39.5Very low34.1Very low181 Ų181143.3 Ų143.371%0.7176%0.756SS**Hα-helixtrans-62.8-36.7-177.6-165.2-103000112.6K582 Y583 A584Y580-K582 PolarHBondContact O-N 3.13Å; Y580-Y583 PolarHBondContact O-N 2.91Å; Y580-A584 HydrophobicContact CD1-CB 4.09Å; Y580-A584 HydrophobicContact CE1-CB 3.87Å; Y580-A584 WeakPolarHBondContact O-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.09Å
581A41.9Very low34Very low85 Ų85141.6 Ų141.670%0.70276%0.757SS**Hα-helixtrans-66.8-18.5-17700000114.7L579L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.13Å
582K38.6Very low33.9Very low180 Ų180146.8 Ų146.878%0.78376%0.763SS**Hα-helixtrans-89.1-17.6178.7-85.1-172.3173.3-179.20114.9L579 Y580L579-K582 PolarHBondContact O-N 3.42Å; Y580-K582 PolarHBondContact O-N 3.13Å
583Y40.3Very low33.7Very low194 Ų194150.2 Ų150.276%0.76177%0.773SS**Hα-helixtrans-121.4-8.3-174-69.5-82.9000114.4Y580 K585Y580-Y583 PolarHBondContact O-N 2.91Å; Y583-K585 PolarHBondContact O-N 3.29Å
584A36.6Very low33.6Very low58 Ų58149 Ų14948%0.47977%0.772SS.*  trans-78.753.1-177.700000115.1Y580Y580-A584 HydrophobicContact CD1-CB 4.09Å; Y580-A584 HydrophobicContact CE1-CB 3.87Å; Y580-A584 WeakPolarHBondContact O-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.09Å
585K28.8Very low33Very low189 Ų189147.6 Ų147.682%0.82277%0.771SS**  trans-155.7124.1166.2-82.8-166.5-1781790110.3Y583Y583-K585 PolarHBondContact O-N 3.29Å
586V27.7Very low32.9Very low132 Ų132145.1 Ų145.180%0.877%0.772SS**  cis-148.4148.8-13.9166.90000105.5
587E28.7Very low32.2Very low170 Ų170150 Ų15079%0.79479%0.785SS**  trans-125.1163.1166-144.8-174.3-125.800111.7
588T26Very low31.6Very low121 Ų121149.8 Ų149.874%0.74279%0.787SS**  trans70.6122.3174.363.90000119.3
589F30.4Very low31.1Very low203 Ų203150.2 Ų150.289%0.8979%0.789SS**  trans-87.4163.7156.6-60.7-95.4000109.3
590P35Very low30.4Very low118 Ų118151.3 Ų151.377%0.76680%0.796SS**  -155.4157.396.137.8-18.9000118.6
591V22.8Very low30.1Very low144 Ų144152.3 Ų152.387%0.87380%0.804SS**  trans74.5147149.7169.50000120.3
592W24.3Very low29.4Very low242 Ų242154.4 Ų154.492%0.91780%0.802SS**  trans-74.7156.1-172.4-61.6-30.3000116.5
593N23.8Very low28.7Very low174 Ų174153.2 Ų153.293%0.9380%0.799SS**  -151.1172.6124-106.2-53.2000110.6
594A23.9Very low27.9Very low95 Ų95151.1 Ų151.179%0.78579%0.794SS**  trans-123.3173.7-159.300000116.1
595A23.8Very low27.2Very low102 Ų102152.9 Ų152.984%0.84380%0.803SS**  trans88160.516200000119.9
596A29.1Very low27Very low92 Ų92150.3 Ų150.376%0.7680%0.798SS**  trans65.995.3179.600000116
597E27Very low26.8Very low190 Ų190148.5 Ų148.589%0.88879%0.791SS**  77.2155.975.2-71.3-171.6-179.700115.6
598E29.8Very low26.8Very low182 Ų182146.6 Ų146.685%0.8578%0.783SS**  trans64.5107.2-170.7-57.1-169166.800114.1
599E32.2Very low27Very low189 Ų189146.8 Ų146.888%0.88378%0.776SS**  61.1107.955.2-54.9-157.214700113.8
600D29.1Very low27.1Very low137 Ų137145.2 Ų145.273%0.73376%0.764SS**  -159.4160.897.6-144.1-23.9000112.5
601K32.3Very low26.6Very low201 Ų201146 Ų14687%0.87476%0.762SS**  trans-135.999.7173.2-95.1-170175.9-179.40109.9
602I28Very low27Very low129 Ų129145.4 Ų145.466%0.66275%0.753SS**  trans-127.997.2176.2-57.4-176.2000111.3
603E23.8Very low27.2Very low155 Ų155142.6 Ų142.672%0.72475%0.747SS**  53164.9110.7-142175.3-152.500122.3
604F23.8Very low27.5Very low151 Ų151139 Ų13966%0.66274%0.736SS**  trans74.6114.6174.5-76.5-87.5000118.1L606F604-L606 HydrophobicContact CE1-CD1 4.32Å
605S21.9Very low27.6Very low95 Ų95139.8 Ų139.866%0.66474%0.736SS**  cis97.3151.713.4-490000117.3
606L23.4Very low27.8Very low135 Ų135142.9 Ų142.971%0.70773%0.732SS**  trans78.5147.5173.6-49173.9000114.8F604 M608F604-L606 HydrophobicContact CE1-CD1 4.32Å; L606-M608 HydrophobicContact CD2-SD 4.25Å
607S24.9Very low27.9Very low94 Ų94146.7 Ų146.766%0.65774%0.735SS**  cis-145.7138.417.3-38.10000109.9
608M27.7Very low28Very low129 Ų129142 Ų14264%0.63572%0.723SS**  70.1146.198.9-73.513665.900115.3L606L606-M608 HydrophobicContact CD2-SD 4.25Å
609E30.5Very low28Very low125 Ų125137.5 Ų137.558%0.58471%0.711SS**  cis-168.517113-110.5165-146.700109.5
610R31.5Very low27.7Very low171 Ų171136 Ų13665%0.64570%0.704SS**  cis-169.2179.9-29.2-127.5-166.7-124.3104.915.9111.1
611D26.1Very low27.7Very low135 Ų135137.3 Ų137.372%0.72271%0.706SS**  trans98.9140.8154.4-72.30.5000120.9
612L31Very low27.5Very low130 Ų130134.5 Ų134.568%0.68170%0.7SS**  cis-171.4157.7-39.3-121.2-177.4000111.6
613K28.4Very low27.3Very low183 Ų183131.6 Ų131.680%0.79670%0.701SS**  trans75.1150.3166.2-62.7166.4-174.1171.60117.8
614S29.2Very low27.6Very low100 Ų100131.1 Ų131.170%0.69970%0.702SS**  cis-175.6154.8-16.351.30000112.9
615S26.8Very low27.7Very low111 Ų111130.8 Ų130.878%0.77671%0.706SS**  trans71.2148.2154.1-940000118.5
616E27.8Very low28Very low166 Ų166133 Ų13378%0.77672%0.716SS**  cis-140.1168.51.2-61.9-159.8125.500114.3
617Q30.8Very low28.4Very low173 Ų173132.4 Ų132.481%0.80872%0.718SS**  trans-5.3155.5147.4-66.5173.722.700120.9
618S28.5Very low29.2Very low91 Ų91133 Ų13364%0.63672%0.72SS**  cis-170.4145.4-6.451.90000114.7
619S29.8Very low29.1Very low87 Ų87133.1 Ų133.161%0.60872%0.723SS**  62.4159.6128.675.10000122.9
620H26.9Very low29Very low158 Ų158133.5 Ų133.573%0.73173%0.729SS**  cis-132.4149-2.9-67.7-86.1000108.7
621Q28.6Very low28.8Very low165 Ų165131.8 Ų131.877%0.77174%0.738SS**  6513462.2-122.8177.3-9.900113.4
622L27.7Very low28.9Very low142 Ų142132.6 Ų132.674%0.74374%0.737SS**  cis-129.1173.121.5-71.7147.5000111.1
623G25.2Very low28.8Very low67 Ų67134 Ų13469%0.69174%0.74SS**  cis89.4130.833.800000109.7
624I28.6Very low28.6Very low145 Ų145130.2 Ų130.274%0.74474%0.737SS**  cis-165.9130.745.3-91.7155.8000107.1
625L27Very low28.4Very low144 Ų144130.9 Ų130.975%0.75474%0.741SS**  67.2112.380.9-105171.8000116
626T28.3Very low28.4Very low142 Ų142130.2 Ų130.287%0.87174%0.737SS**  -171.2140.1123.325.60000113.7
627T31.4Very low28.3Very low123 Ų123131.4 Ų131.476%0.75574%0.74SS**  trans-94.2-171.8161.449.50000108.2
628P40.6Very low28.2Very low106 Ų106127.8 Ų127.869%0.68873%0.733SS**  cis-146.5-178.211.743-21.2000118.6
629N26.7Very low28.1Very low131 Ų131131.7 Ų131.770%0.70174%0.741SS**  trans71.9139.1135.9-92.641.7000125.5
630D27.4Very low28Very low134 Ų134133.7 Ų133.772%0.71775%0.745SS**  106.6131.9126.2-76.4-27.3000124
631T28.5Very low28.2Very low135 Ų135132 Ų13283%0.82874%0.741SS**  trans79.6143.5158.47.40000121.2
632E28.1Very low28.1Very low152 Ų152133.3 Ų133.371%0.7175%0.745SS**  trans-76.5160.6174.1-53.4176.4-17400112.8
633H27.7Very low28.1Very low158 Ų158130.5 Ų130.573%0.73174%0.737SS**  169.1136.4102.9-84.4-40.5000113
634S25.6Very low28.3Very low105 Ų105137.4 Ų137.473%0.73474%0.742SS**  trans53139.5136.4-158.60000122.5
635S25.5Very low28.3Very low113 Ų113136.3 Ų136.379%0.7974%0.738SS**  trans70.5161.5156.380.60000118.1
636S25.8Very low28.5Very low98 Ų98134.5 Ų134.569%0.68574%0.737SS**  cis-174.1141.1-37.1-175.70000108.4
637F25.3Very low28.4Very low191 Ų191135 Ų13584%0.83873%0.733SS**  trans68.6152.1155.8-114.9-95.7000122.4
638S29.2Very low28.4Very low96 Ų96138.8 Ų138.867%0.67173%0.734SS**  trans56.6103.1160.243.20000118.3
639E27Very low27.7Very low173 Ų173144.4 Ų144.481%0.80874%0.741SS**  67.4147.369-148.2-167.3-153.800115.7
640L27.9Very low27.7Very low129 Ų129142.8 Ų142.868%0.67574%0.74SS**  trans79.5101.7167-58.4178.7000120.7
641N29.9Very low27.6Very low123 Ų123142.9 Ų142.966%0.65875%0.746SS**  23.9128.4121.3-63.8-71.5000119.5
642F27.3Very low27.7Very low193 Ų193141.9 Ų141.985%0.84674%0.744SS**  175.4143.993.1-101.9-64000116.8
643S26.8Very low27.5Very low82 Ų82142.2 Ų142.257%0.57375%0.75SS**  trans61.8108.4131.7178.70000123.3
644R30.9Very low27.5Very low213 Ų213139.4 Ų139.480%0.80475%0.748SS**  trans68.1161.5131-56.5169.384.6153.43.1116.7
645N28.3Very low27.6Very low122 Ų122140 Ų14065%0.65275%0.747SS**  cis-158.8142.316.8-136.14.1000111.2
646S29.6Very low27.7Very low105 Ų105141.2 Ų141.273%0.73475%0.745SS**  trans7.3130.6146.3154.50000120.5
647L28.1Very low27.9Very low153 Ų153145.1 Ų145.180%0.80176%0.757SS**  trans-144.7119.1155.2-127.279.2000114.8
648R29.8Very low27.9Very low202 Ų202140.3 Ų140.376%0.76275%0.747SS**  trans71.5128.7143.2-51.8-114.2178.9-163.9-2.1123.5
649R26.8Very low28Very low225 Ų225144.7 Ų144.785%0.84975%0.754SS**  85.3123.9126.5-88.2-176.5156.8-170.4-9.2123.2
650S26.6Very low28.1Very low97 Ų97145.7 Ų145.768%0.67876%0.756SS**  trans-56.5163.9145.954.40000113.2
651V26.3Very low28Very low136 Ų136144.6 Ų144.682%0.82476%0.759SS**  -156.2171.152.5-73.30000113.7
652S29.9Very low28.9Very low113 Ų113144 Ų14479%0.7976%0.762SS**  trans-95.5161.2-178.80.50000115.2
653L24.2Very low29.1Very low159 Ų159142 Ų14283%0.83276%0.76SS**  trans-155.8130.8144.2-81.9-173.8000106.5
654S26.2Very low29.3Very low100 Ų100144.1 Ų144.170%0.69976%0.764SS**  65.7138.182.8-55.30000113
655T28.7Very low29.1Very low118 Ų118142.9 Ų142.972%0.72476%0.76SS**  cis-143.9137.327.750.70000111.9
656D28.1Very low28.9Very low138 Ų138143.4 Ų143.474%0.73876%0.756SS**  67.8124.890.9-50.8-61.3000118.2
657L28.4Very low28.7Very low180 Ų180145.5 Ų145.594%0.94276%0.756SS**  trans-171.5143.1132.4-105.6163000112.1
658S26.2Very low28.5Very low89 Ų89144.8 Ų144.862%0.62275%0.753SS**  trans-165.3150.5-177.9175.60000111
659F31.6Very low28.5Very low188 Ų188140.5 Ų140.583%0.82575%0.754SS**  152.7141.8124.8-95.9-71.7000116
660K28.2Very low28.6Very low195 Ų195135.1 Ų135.185%0.84875%0.751SS**  trans137141.8142.6-77.3162.4-175.4176.90110.5
661S25.8Very low28.6Very low106 Ų106134.7 Ų134.774%0.74175%0.753SS**  cis-178.1-176.3-13.856.30000106.6
662P48.7Very low28.7Very low111 Ų111135.3 Ų135.372%0.72175%0.747SS**  cis-137.4-141.91.443.1-21.1000113.1
663L32.8Very low28.7Very low151 Ų151136.4 Ų136.479%0.79174%0.738SS**  trans-124.4-174.4168.2-62.480.8000108.1
664N29.5Very low28.8Very low125 Ų125139.4 Ų139.467%0.66874%0.738SS**  cis-168.2-176.118.2-146.12.8000107.7
665W27.4Very low28.7Very low187 Ų187140.5 Ų140.571%0.70874%0.74SS**  cis-164.5162.32.2-158.322.9000111.3
666K24.6Very low28.6Very low134 Ų134139.9 Ų139.958%0.58374%0.741SS**  trans58121.1146-101.6-174.3-179.2171.30124.2
667M24.6Very low29.8Very low149 Ų149138.9 Ų138.973%0.73474%0.742SS**  98.8104.7118.2-149.5146.391.200123.1
668N24.8Very low29.8Very low137 Ų137135.1 Ų135.173%0.73374%0.737SS**  trans37.9135138.2-51.56.6000124.6
669S30.3Very low29.8Very low112 Ų112135.8 Ų135.878%0.78375%0.748SS**  trans65.9152.3137.358.10000119.9
670S28.6Very low29.6Very low113 Ų113132.2 Ų132.279%0.7975%0.746SS**  cis-176.5179.2-8.547.30000110.7
671A26.5Very low31Very low87 Ų87127.8 Ų127.872%0.71974%0.737SS**  trans109.9103.3146.700000121.5
672E28.5Very low31Very low150 Ų150132 Ų13270%0.70174%0.738SS**  53.2115.9107.5-155.9-141.6147.400121.9
673K29.4Very low30.3Very low136 Ų136133 Ų13359%0.59173%0.731SS**  165.8138115-94.4-178.8176.959.30117
674R26.4Very low30.3Very low221 Ų221132.8 Ų132.883%0.83473%0.726SS**  trans63.4165.2141-70.7-176.1179-167.4-1120.6
675V24.5Very low30.7Very low123 Ų123130.5 Ų130.575%0.74572%0.72SS**  cis-174.4120.4-45.9129.40000109.7
676S25.5Very low30.8Very low105 Ų105128.8 Ų128.873%0.73473%0.725SS**  trans59.6-176.1148.9-42.50000120.3
677P54.1Low31.1Very low117 Ų117126.2 Ų126.276%0.7673%0.729SS**  -143.9177.6-91.945.6-27000118.8
678A28.7Very low31.5Very low102 Ų102124.3 Ų124.384%0.84373%0.73SS**  trans64.9144.6141.800000124.3
679A25.2Very low31.7Very low103 Ų103124.4 Ų124.485%0.85174%0.735SS**  trans-157.2160.3156.200000111.7
680S28.3Very low31.7Very low113 Ų113125.9 Ų125.979%0.7973%0.734SS**  trans-157.3-147.7-171.957.80000109
681P56.7Low31.8Very low102 Ų102126.7 Ų126.766%0.66273%0.729SS**  cis-141.1177.5-16.235.5-14.9000117.1
682Y25.8Very low31.9Very low194 Ų194127.5 Ų127.576%0.76173%0.725SS**  trans166.3162144.4-101.2-152.9000110.9
683K34.2Very low32.1Very low133 Ų133128 Ų12858%0.57873%0.727SS**  cis-172171.2-23.7-121.2-167.3-177.8-169.20108.7
684Q33.6Very low32Very low146 Ų146127.9 Ų127.968%0.68273%0.733SS**  cis-147.3-64.8-4.2-162.3-179.3-106.600116.1
685S36.9Very low32.2Very low77 Ų77122 Ų12254%0.53873%0.726SS.*  trans-145171.7-159-5.10000115.4
686D28.9Very low32.6Very low151 Ų151123.8 Ų123.881%0.80773%0.732SS**  cis-156.8159.110.3-119-39.4000116
687A32.3Very low33.2Very low80 Ų80125.9 Ų125.966%0.66173%0.734SS**  trans54.8106.4145.200000127.8
688S31.8Very low32.4Very low109 Ų109128.2 Ų128.276%0.76274%0.735SS**  72.6122.9116.370.30000128.2
689V30.2Very low32.8Very low138 Ų138129.5 Ų129.584%0.83673%0.728SS**  82.596.2129.3179.10000123.7
690D29.4Very low33.3Very low143 Ų143132.3 Ų132.377%0.76573%0.729SS**  59.3151.1111.5-142.710.8000127
691L29.9Very low33.9Very low130 Ų130131.3 Ų131.368%0.68173%0.727SS**  trans84.4124.4159-65.4-175.2000125.4
692T29.1Very low32.9Very low105 Ų105134 Ų13464%0.64474%0.735SS**  trans74.6112.1140.349.40000124.6
693Q32.2Very low33.6Very low159 Ų159133 Ų13374%0.74374%0.741SS**  34.2134.8120.4-56.4176.8-68.200121.6
694N28Very low33.7Very low134 Ų134132.1 Ų132.172%0.71774%0.742SS**  169.9159.198.2-89.3-54.4000114.3
695S31.3Very low34Very low99 Ų99129.4 Ų129.469%0.69274%0.74SS**  trans59.9146.1153.651.80000120
696D31.9Very low34.6Very low160 Ų160131.5 Ų131.586%0.85675%0.745SS**  cis-152.3162-6.9-113.8-25.3000111.1
697D37.9Very low35.7Very low148 Ų148131.5 Ų131.579%0.79174%0.74SS**  trans-77.7163.1169.4-78.5-56.3000111.8
698E38.2Very low36.6Very low166 Ų166133.3 Ų133.378%0.77674%0.735SS**  178.9149.6118.6-95-64.8172.500112.5
699N36.2Very low37.5Very low129 Ų129132.7 Ų132.769%0.6972%0.722SS**  trans-58.8156.3-172.9-62.8-84.7000113.3
700D37.1Very low38.6Very low163 Ų163131.8 Ų131.887%0.87271%0.712SS**  -164.9162.865.2-128-28.3000114.7
701A40.2Very low39.3Very low91 Ų91135 Ų13575%0.75272%0.715SS**  trans-104.5138.5-174.700000113.8
702I35.7Very low39.9Very low160 Ų160133.4 Ų133.482%0.82172%0.715SS**  trans-125.3128.6168.5-60.4-179.2000109.2
703L41.2Very low40.5Very low172 Ų172134.1 Ų134.190%0.90171%0.713SS**PPolyproline II helixtrans-77.8127.3178.6-68.5161.6000110.6
704L36.1Very low40.9Very low114 Ų114137.9 Ų137.960%0.59772%0.721SS**PPolyproline II helixtrans-100.7139.7165.1-63176.6000109.3
705S40.2Very low41.6Very low90 Ų90141.1 Ų141.163%0.62973%0.728SS**PPolyproline II helixtrans-79.8151.9-178.348.50000113E707 E708S705-E707 PolarHBondContact O-N 3.44Å; S705-E708 PolarHBondContact O-N 2.92Å; S705-E708 VanDerWaalsContact O-N 3.11Å
706D48.2Very low41.6Very low121 Ų121139.3 Ų139.365%0.64773%0.726SS**THydrogen-bonded Turntrans-51.9-23.2-166.6-51.5-32.2000116.6E708 N710D706-E708 VanDerWaalsContact C-N 3.32Å; D706-E708 PolarHBondContact O-N 3.14Å; D706-N710 PolarHBondContact O-ND2 2.9Å; D706-N710 VanDerWaalsContact O-ND2 3.16Å
707E52.1Low41.6Very low150 Ų150139.6 Ų139.670%0.70173%0.727SS**THydrogen-bonded Turntrans-63.3-30.6177.5-124.467.3-138.600114S705S705-E707 PolarHBondContact O-N 3.44Å
708E51.7Low41.3Very low119 Ų119142 Ų14256%0.55673%0.73SS**THydrogen-bonded Turntrans-82.1-27-175.6-169.6164.3-170.300112.9S705 D706S705-E708 PolarHBondContact O-N 2.92Å; S705-E708 VanDerWaalsContact O-N 3.11Å; D706-E708 VanDerWaalsContact C-N 3.32Å; D706-E708 PolarHBondContact O-N 3.14Å
709I50.7Low40.9Very low95 Ų95140.2 Ų140.249%0.48773%0.731SS.*G310 helixtrans-69-38.9-179-59.7176.2000111Y711 S712 I713I709-Y711 VanDerWaalsContact C-N 3.27Å; I709-Y711 PolarHBondContact O-N 3.24Å; I709-S712 PolarHBondContact O-N 2.99Å; I709-I713 HydrophobicContact CG2-CD1 4.19Å
710N53.2Low40.6Very low119 Ų119139.6 Ų139.664%0.63673%0.732SS**G310 helixtrans-65-22.6-171.1-83.5-60.6000115D706D706-N710 PolarHBondContact O-ND2 2.9Å; D706-N710 VanDerWaalsContact O-ND2 3.16Å
711Y45.3Very low40.3Very low212 Ų212140.2 Ų140.283%0.83173%0.727SS**G310 helixtrans-89-9.7-179.1-78.5-76.7000114.8I709I709-Y711 VanDerWaalsContact C-N 3.27Å; I709-Y711 PolarHBondContact O-N 3.24Å
712S40.6Very low39.8Very low96 Ų96142 Ų14267%0.67172%0.724SS**SBendtrans-97.3-8.4-168.5-64.10000115.5I709I709-S712 PolarHBondContact O-N 2.99Å
713I42.5Very low39.6Very low119 Ų119141.5 Ų141.561%0.6172%0.722SS**SBendtrans-93.2-9.7-163.1-64.2175.4000114.2I709I709-I713 HydrophobicContact CG2-CD1 4.19Å
714W40.2Very low39Very low238 Ų238140.3 Ų140.390%0.90272%0.716SS**SBendtrans-104.119.4-168.4-86.656.7000116.8
715K42.4Very low38.9Very low202 Ų202142.7 Ų142.788%0.87873%0.728SS**SBendtrans-140.8101.8171.2-78.4-61.1-175.8-175.30114.9
716G32.3Very low38.4Very low62 Ų62142 Ų14264%0.63974%0.735SS**  trans93.1153.2168.200000113.6
717N31.1Very low37.6Very low165 Ų165142.4 Ų142.488%0.88274%0.737SS**  cis-150.3168.1-7.1-91.8-38.3000110
718K31.3Very low36.5Very low198 Ų198141.9 Ų141.986%0.86174%0.739SS**  trans-70.6133.6162.4-61.2172.6-179.9174.80108.9
719T31.6Very low35.5Very low129 Ų129140.1 Ų140.179%0.79174%0.74SS**  177.8128.7125.1320000113.8
720V29.1Very low34.6Very low116 Ų116140.4 Ų140.470%0.70375%0.751SS**  trans70.3111.3136.1178.90000120
721K30.8Very low33.3Very low177 Ų177142.2 Ų142.277%0.7776%0.76SS**  trans68.2147.1149.3-69.9178.6173.6-167.70118.6
722D29.2Very low32.5Very low128 Ų128137.8 Ų137.868%0.68476%0.76SS**  cis-153.8166.9-0.8-103.9-32.1000110.6
723L32Very low31.9Very low150 Ų150139.1 Ų139.179%0.78577%0.768SS**  trans52.2104.8158.9-95.364.1000123.3
724D28.8Very low31.1Very low146 Ų146143.9 Ų143.978%0.78179%0.785SS**  82.6151.2117.2-137.4-4.7000122.9
725I33.2Very low30.4Very low164 Ų164137.3 Ų137.384%0.84178%0.782SS**  trans66.1137.3170.7-50.5171.8000117.1
726G29.8Very low29.7Very low75 Ų75133 Ų13377%0.77378%0.777SS**  trans13780.7154.300000117.1
727D32.8Very low30Very low131 Ų131135.9 Ų135.970%0.70178%0.784SS**  trans-45.8146.5179.4-117-27.1000120.1
728D28.7Very low30Very low138 Ų138134.7 Ų134.774%0.73878%0.782SS**  94.1148.8126.4-153.434.5000124.4
729S30.4Very low30.2Very low83 Ų83131 Ų13158%0.5878%0.777SS**  trans71.190.7157.6-82.20000122.9
730S32.5Very low30.3Very low101 Ų101134.9 Ų134.971%0.70678%0.783SS**  80.5126.8108.7-56.30000122.3
731D25.6Very low30.5Very low157 Ų157138.5 Ų138.584%0.8479%0.789SS**  trans58.499.2139.8-64.4-3.9000121.5
732S27.9Very low30.6Very low119 Ų119141.4 Ų141.483%0.83280%0.795SS**  -150.9123.4104.850.10000111.9
733C27.7Very low30.7Very low124 Ų124139.8 Ų139.884%0.83880%0.8SS**  trans-153.1104178-103.90000111
734F25Very low31.2Very low218 Ų218140 Ų14096%0.95680%0.8SS**  trans-153.289.5156.1-103.9-68.4000111.6
735A26.7Very low32Very low101 Ų101137.1 Ų137.184%0.83579%0.789SS**  trans-159.6128.4150.500000108.9
736S27.2Very low32.4Very low111 Ų111138 Ų13878%0.77679%0.79SS**  trans-116.7-173.3175.8-64.70000108.6
737P39.9Very low33.9Very low122 Ų122137.8 Ų137.879%0.79277%0.768SS**  -121.8148.4-58.533.5-21.2000111
738V29.9Very low35.2Very low140 Ų140140.1 Ų140.185%0.84877%0.774SS**  trans-127.4142.7173.4-178.10000112
739T36.1Very low36.8Very low122 Ų122137.1 Ų137.175%0.74876%0.761SS**  trans-49132.7-17352.90000115
740K33.2Very low38.2Very low210 Ų210141.1 Ų141.191%0.91377%0.771SS**  trans-89.1108.9160.4-73.8-170.8177-177.70109.3
741K33.4Very low39.7Very low192 Ų192143.2 Ų143.284%0.83577%0.769SS**PPolyproline II helixtrans-62.6145.7167.5-69.7-172.1176-174.40110
742R33Very low41.6Very low238 Ų238139.4 Ų139.490%0.89875%0.749SS**PPolyproline II helixtrans-62.4131.2169.5-158176.4-163.9163.71.7108.1
743A30.5Very low43.6Very low94 Ų94137.4 Ų137.478%0.77773%0.729SS**PPolyproline II helixtrans-69.5137.9173.600000109.6
744I41.9Very low45.1Very low154 Ų154135.8 Ų135.879%0.7971%0.711SS**PPolyproline II helixtrans-91.8133.5176.9-61.3169.9000107.4Q746I744-Q746 PolarHBondContact O-N 3.47Å
745P46.8Very low47.3Very low85 Ų85128.3 Ų128.355%0.55269%0.69SS**PPolyproline II helixtrans-62.1132.6170.2-18.832000110.4F747P745-F747 HydrophobicContact CB-CE2 4.03Å; P745-F747 HydrophobicContact CB-CZ 4.02Å
746Q40.9Very low49.6Very low183 Ų183128.6 Ų128.686%0.85567%0.673SS**  trans-106.786.4179.3-171.7171-0.500109.4I744I744-Q746 PolarHBondContact O-N 3.47Å
747F61.6Low51.4Low71 Ų71128.1 Ų128.131%0.31166%0.661SS.*  trans-59.7145.4174-55.3-79.5000110.9P745 D752 L753 F756P745-F747 HydrophobicContact CB-CE2 4.03Å; P745-F747 HydrophobicContact CB-CZ 4.02Å; F747-D752 VanDerWaalsContact CA-OD2 3.31Å; F747-D752 WeakPolarHBondContact CA-OD2 3.47Å; F747-D752 HydrophobicContact CB-CB 4.36Å; F747-D752 HydrophobicContact CD1-CB 4.3Å; F747-D752 WeakPolarHBondContact CD1-O 3.34Å; F747-L753 HydrophobicContact CD2-CD1 4.09Å; F747-L753 HydrophobicContact CE2-CD1 3.94Å; F747-L753 HydrophobicContact CZ-CD1 4.32Å; F747-F756 HydrophobicContact CE1-CB 3.91Å; F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CG 4.05Å; F747-F756 HydrophobicContact CZ-CB 4.18Å; F747-F756 AromaticContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD2 4.34Å; F747-F756 HydrophobicContact CZ-CE1 4.48Å; F747-F756 AromaticContact CZ-CG 3.88Å; F747-F756 HydrophobicContact CZ-CG 3.88Å
748Q60.1Low52.1Low180 Ų180129 Ų12984%0.84166%0.656SS**SBendtrans-108.6-15.9-175.5-64.1-170.518.600114.6D752Q748-D752 PolarHBondContact N-OD2 3.47Å
749T63.2Low53Low75 Ų75129 Ų12946%0.4665%0.651SS.*SBendtrans-137.6166.1171.560.50000110.3E751 D752T749-E751 VanDerWaalsContact C-N 3.32Å; T749-D752 WeakPolarHBondContact O-CB 3.47Å; T749-D752 PolarHBondContact O-N 3.48Å; T749-D752 PolarHBondContact OG1-N 3.03Å
750E59Low53.4Low167 Ų167130.5 Ų130.578%0.7865%0.648SS**Hα-helixtrans-67-33.517359.1-148.3144.800112.2D752 L753 D754E750-D752 VanDerWaalsContact C-N 3.27Å; E750-D752 PolarHBondContact O-N 3.1Å; E750-L753 WeakPolarHBondContact O-CB 3.31Å; E750-L753 PolarHBondContact O-N 2.83Å; E750-L753 VanDerWaalsContact O-N 3.09Å; E750-D754 PolarHBondContact O-N 3.22Å
751E63.6Low53.4Low145 Ų145125.1 Ų125.168%0.67864%0.636SS**Hα-helixtrans-61.8-31.7174.2-58.4166.4127.200113.1T749 L753 A755T749-E751 VanDerWaalsContact C-N 3.32Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-A755 VanDerWaalsContact O-CB 3.31Å; E751-A755 WeakPolarHBondContact O-CB 3.35Å; E751-A755 PolarHBondContact O-N 3.43Å
752D66.9Low53.6Low76 Ų76122.2 Ų122.241%0.40664%0.635SS.*Hα-helixtrans-72.5-25.4177.2-165.438.4000111.7F747 Q748 T749 E750F747-D752 VanDerWaalsContact CA-OD2 3.31Å; F747-D752 WeakPolarHBondContact CA-OD2 3.47Å; F747-D752 HydrophobicContact CB-CB 4.36Å; F747-D752 HydrophobicContact CD1-CB 4.3Å; F747-D752 WeakPolarHBondContact CD1-O 3.34Å; Q748-D752 PolarHBondContact N-OD2 3.47Å; T749-D752 WeakPolarHBondContact O-CB 3.47Å; T749-D752 PolarHBondContact O-N 3.48Å; T749-D752 PolarHBondContact OG1-N 3.03Å; E750-D752 VanDerWaalsContact C-N 3.27Å; E750-D752 PolarHBondContact O-N 3.1Å
753L69.6Low53.6Low78 Ų78117.9 Ų117.941%0.40863%0.63SS.*Hα-helixtrans-83-42.2172.1-17964.6000111.8F747 E750 E751 F756 L757F747-L753 HydrophobicContact CD2-CD1 4.09Å; F747-L753 HydrophobicContact CE2-CD1 3.94Å; F747-L753 HydrophobicContact CZ-CD1 4.32Å; E750-L753 WeakPolarHBondContact O-CB 3.31Å; E750-L753 PolarHBondContact O-N 2.83Å; E750-L753 VanDerWaalsContact O-N 3.09Å; E751-L753 VanDerWaalsContact C-N 3.31Å; L753-F756 WeakPolarHBondContact O-CB 3.43Å; L753-F756 PolarHBondContact O-N 3.32Å; L753-L757 HydrophobicContact CG-CD1 4.28Å; L753-L757 PolarHBondContact O-N 3.01Å
754D59.6Low53.6Low89 Ų89116.5 Ų116.548%0.47662%0.624SS.*Hα-helixtrans-65.9-40.2177.3-85.5-5.5000111.8E750 F756 L757 M758E750-D754 PolarHBondContact O-N 3.22Å; D754-F756 VanDerWaalsContact C-N 3.28Å; D754-F756 PolarHBondContact O-N 3.08Å; D754-L757 PolarHBondContact O-N 3.47Å; D754-L757 VanDerWaalsContact O-N 3.09Å; D754-M758 VanDerWaalsContact O-CG 3.27Å; D754-M758 WeakPolarHBondContact O-CG 3.3Å; D754-M758 PolarHBondContact O-N 3.42Å
755A69.6Low53.1Low61 Ų61116.5 Ų116.550%0.50463%0.626SS.*Hα-helixtrans-58.3-41.1172.500000112E751 L757 M758 D759E751-A755 VanDerWaalsContact O-CB 3.31Å; E751-A755 WeakPolarHBondContact O-CB 3.35Å; E751-A755 PolarHBondContact O-N 3.43Å; A755-L757 VanDerWaalsContact C-N 3.31Å; A755-L757 PolarHBondContact O-N 2.9Å; A755-M758 PolarHBondContact O-N 3.16Å; A755-D759 PolarHBondContact O-N 3.12Å
756F76.3Confident52.4Low108 Ų108115.8 Ų115.847%0.47463%0.634SS.*Hα-helixtrans-68.3-26.4176.1178.9-97.6000113.4F747 L753 D754 F760F747-F756 HydrophobicContact CE1-CB 3.91Å; F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CG 4.05Å; F747-F756 HydrophobicContact CZ-CB 4.18Å; F747-F756 AromaticContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD2 4.34Å; F747-F756 HydrophobicContact CZ-CE1 4.48Å; F747-F756 AromaticContact CZ-CG 3.88Å; F747-F756 HydrophobicContact CZ-CG 3.88Å; L753-F756 WeakPolarHBondContact O-CB 3.43Å; L753-F756 PolarHBondContact O-N 3.32Å; D754-F756 VanDerWaalsContact C-N 3.28Å; D754-F756 PolarHBondContact O-N 3.08Å; F756-F760 HydrophobicContact CE2-CE2 4.45Å; F756-F760 WeakPolarHBondContact O-CD2 3.3Å
757L64.6Low51.9Low100 Ų100112.1 Ų112.152%0.52463%0.628SS.*Hα-helixtrans-81.2-37.3175.2-76.7164.1000112.8L753 D754 A755 D759L753-L757 HydrophobicContact CG-CD1 4.28Å; L753-L757 PolarHBondContact O-N 3.01Å; D754-L757 PolarHBondContact O-N 3.47Å; D754-L757 VanDerWaalsContact O-N 3.09Å; A755-L757 VanDerWaalsContact C-N 3.31Å; A755-L757 PolarHBondContact O-N 2.9Å; L757-D759 VanDerWaalsContact C-N 3.35Å; L757-D759 PolarHBondContact O-N 3.02Å
758M54.3Low50.4Low140 Ų140117.9 Ų117.969%0.6966%0.656SS**Hα-helixtrans-73.9-22.2-176.5-66-65159.900113.7D754 A755 F760D754-M758 VanDerWaalsContact O-CG 3.27Å; D754-M758 WeakPolarHBondContact O-CG 3.3Å; D754-M758 PolarHBondContact O-N 3.42Å; A755-M758 PolarHBondContact O-N 3.16Å; M758-F760 PolarHBondContact O-N 3.37Å
759D49.6Very low48.9Very low140 Ų140112.6 Ų112.675%0.74965%0.65SS**THydrogen-bonded Turntrans-66.7-2.1176.2-105.36.5000114.3A755 L757A755-D759 PolarHBondContact O-N 3.12Å; L757-D759 VanDerWaalsContact C-N 3.35Å; L757-D759 PolarHBondContact O-N 3.02Å
760F44.3Very low47.3Very low155 Ų155114.3 Ų114.368%0.6867%0.665SS**THydrogen-bonded Turntrans-127.818.6-171.6-69.3-72.9000116.6F756 M758F756-F760 HydrophobicContact CE2-CE2 4.45Å; F756-F760 WeakPolarHBondContact O-CD2 3.3Å; M758-F760 PolarHBondContact O-N 3.37Å
761S32.7Very low45.9Very low97 Ų97115.4 Ų115.468%0.67867%0.67SS**  trans-158.3141.2174.8-78.90000111.8
762T37.6Very low44.2Very low131 Ų131113.7 Ų113.780%0.80467%0.674SS**  cis-148.6-179.53.616.50000108.6
763D33.6Very low42.6Very low147 Ų147116.7 Ų116.779%0.78670%0.697SS**  cis-127.6-123.98.6-171.429.4000109.7
764G30.7Very low40.8Very low64 Ų64119.2 Ų119.266%0.6671%0.711SS**  cis152138.1-400000113
765N31.1Very low39.4Very low155 Ų155123.9 Ų123.983%0.82973%0.727SS**  cis-146.9131.9-17.1173.312.1000108.4
766G31.3Very low37.4Very low69 Ų69126.7 Ų126.771%0.71174%0.743SS**  trans81.2142.6161.400000118.6
767S29.9Very low35.1Very low107 Ų107126.2 Ų126.275%0.74876%0.759SS**  cis-163.2160-13.376.70000112.2
768Q31.9Very low33.6Very low192 Ų192129.7 Ų129.790%0.89778%0.777SS**  trans68.3140.5163.7-61.8-67.1-12.100119.5
769G27Very low32.4Very low68 Ų68128.6 Ų128.670%0.70178%0.784SS**  trans119.568.2159.100000119.4
770S30.2Very low31.8Very low111 Ų111132.3 Ų132.378%0.77679%0.793SS**  trans13.8125.8155.660.50000122.2
771H29.7Very low31.4Very low191 Ų191133.9 Ų133.988%0.88480%0.802SS**  trans16.9111150.1-63.4-59.4000120.4
772S27.9Very low31.6Very low109 Ų109140.8 Ų140.876%0.76281%0.814SS**  168.6137.5101.451.70000113N774S772-N774 PolarHBondContact O-N 3.03Å
773P33.6Very low31.5Very low138 Ų138138 Ų13890%0.89680%0.803SS**  trans-9397.217533.7-30.1000111
774N31.9Very low31.6Very low131 Ų131140.1 Ų140.170%0.70181%0.809SS**  trans-141.7113.1171.9-142.1-25.1000110.6S772S772-N774 PolarHBondContact O-N 3.03Å
775K29.2Very low31.7Very low188 Ų188146.1 Ų146.182%0.81782%0.817SS**  trans64.8115.2172.4-49166.4-172.41730117
776S29.3Very low31.8Very low119 Ų119142.2 Ų142.283%0.83281%0.813SS**  -173136.5117.439.80000112
777A27.3Very low31.8Very low99 Ų99147.1 Ų147.182%0.81882%0.822SS**  trans-14938.1167.800000110
778L32.4Very low32Very low173 Ų173148.7 Ų148.791%0.90682%0.821SS**  trans-145.571-174.8-76.6-179.9000111.7
779S30.1Very low32Very low117 Ų117146.7 Ų146.782%0.81882%0.816SS**  trans-173.872.2159.455.60000112.6
780K35.9Very low32.1Very low217 Ų217148.1 Ų148.194%0.94382%0.821SS**SBendtrans-132.335.7162.1-151.5-177178.1178.80113.3
781E35.9Very low32.1Very low189 Ų189146.9 Ų146.988%0.88382%0.818SS**  trans-142.468.6169.7-166.4176.4-122.200109.6
782R37.1Very low33Very low242 Ų242143.4 Ų143.491%0.91381%0.812SS**  trans-156.6121.9165.5-148.9169-171.2142.93.6110.7
783A35.1Very low33Very low71 Ų71143.8 Ų143.859%0.58782%0.815SS**  trans62.4119.2-176.600000114.7F785A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 HydrophobicContact CB-CB 4.03Å; A783-F785 VanDerWaalsContact CB-N 3.34Å
784E36.8Very low32.8Very low192 Ų192145.4 Ų145.490%0.89781%0.811SS**  cis51.119.7-6.1-138.4-166.2-174.200119.1
785F32.6Very low34.2Very low190 Ų190143.7 Ų143.783%0.83381%0.807SS**  trans-149.2100.7163-82.9-70.5000106.4A783A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 HydrophobicContact CB-CB 4.03Å; A783-F785 VanDerWaalsContact CB-N 3.34Å
786G33.5Very low34Very low73 Ų73144.7 Ų144.775%0.75381%0.811SS**  trans-85.4161.8-174.700000113.3
787I30.6Very low34Very low173 Ų173144.3 Ų144.389%0.88781%0.809SS**  trans-158154.5141-99.9149.3000107
788L34.8Very low33.9Very low140 Ų140146.9 Ų146.973%0.73381%0.808SS**  trans-91.3169.6-167.7-66.688.1000113.9
789D30.9Very low33.7Very low150 Ų150142.9 Ų142.980%0.80279%0.794SS**  trans71156.2148-65.6-30.6000118
790A30.1Very low33.6Very low97 Ų97145.6 Ų145.680%0.80279%0.794SS**  cis-13416712.300000114.6
791A29.1Very low33.3Very low86 Ų86141.1 Ų141.171%0.71178%0.78SS**  trans-95.9-156.1174.200000110.8
792P48.7Very low32.8Very low117 Ų117140.3 Ų140.376%0.7678%0.776SS**  -125.8-175.2-70.334.2-18.8000112.4
793S28.6Very low32.4Very low118 Ų118133.7 Ų133.783%0.82577%0.767SS**  154.8164.2125.557.30000114
794Q29Very low32Very low171 Ų171138.4 Ų138.480%0.79978%0.777SS**  trans-123.6-151.2179.5-69.4-169.2-21.100110
795P61.1Low31.6Very low95 Ų95133.1 Ų133.162%0.61777%0.766SS**  -128.6156.4-89.438.7-22.8000114.1
796F24.9Very low31.5Very low209 Ų209129.3 Ų129.392%0.91775%0.754SS**  trans-140.4168.9171.8-58.6-73.4000112.6
797S29.1Very low31.4Very low112 Ų112134 Ų13478%0.78375%0.754SS**  trans-135178.5-163.8-171.50000112.4
798L25.9Very low31.4Very low152 Ų152132.6 Ų132.680%0.79674%0.743SS**  trans88.9119.5168.5-62.9169.2000120
799S27.6Very low31.3Very low89 Ų89134 Ų13462%0.62274%0.743SS**  81.3141.2123.3-67.50000123.9
800E28.4Very low31.3Very low175 Ų175131.9 Ų131.982%0.81874%0.74SS**  trans69.2144.7146.6-69.3173.2135.100118.3
801L28.7Very low31.3Very low123 Ų123132.8 Ų132.864%0.64474%0.741SS**  cis-160172.39.5-154.167.1000111.4
802Q27.3Very low31.5Very low172 Ų172135.4 Ų135.480%0.80474%0.743SS**  trans65.4153.2159.6-73.5154.4-1300118.4
803S28.5Very low30.8Very low102 Ų102136.5 Ų136.571%0.71374%0.743SS**  cis-176.5169.8-24.9660000107.2
804H25.9Very low30.9Very low171 Ų171139.1 Ų139.179%0.79274%0.742SS**  cis-162.61683.6-155.9-80.4000109.5
805A28.3Very low31.1Very low81 Ų81137.6 Ų137.667%0.66974%0.737SS**  trans71.9143.2159.100000118.6
806D30.2Very low30Very low110 Ų110139.7 Ų139.759%0.58874%0.744SS**  cis-161142.8-10.6-127.828.2000112.3
807K31Very low30.5Very low172 Ų172140.8 Ų140.875%0.74874%0.742SS**  trans68.7147.2154-67.2163.9-176.2134.90121.6
808E32Very low31Very low143 Ų143139 Ų13967%0.66873%0.734SS**  cis-169.8155.6-29.9-138.8-178.5-143.500112.3
809K31.7Very low31.3Very low169 Ų169140.9 Ų140.974%0.73574%0.739SS**  trans71.8126.1163.5-61.6170.3174.8112.40119.2
810S30.5Very low31.7Very low105 Ų105141.4 Ų141.473%0.73475%0.748SS**  cis96.3118.44.490.50000120.1
811S31.2Very low31.9Very low117 Ų117137.1 Ų137.182%0.81874%0.737SS**  trans-177.6140.9137590000112.5
812D32.8Very low31.9Very low140 Ų140139.8 Ų139.875%0.74974%0.744SS**  trans-115.7-179.7-167.5-50.5-80.7000115.8
813N33.2Very low32.1Very low141 Ų141138.6 Ų138.675%0.75474%0.743SS**  trans94.8101.8152-57.1-37.6000121
814E31.9Very low32.2Very low173 Ų173140.7 Ų140.781%0.80875%0.746SS**  51.2123.8106.1-169.6176.4-128.900120.6
815I33.9Very low32.7Very low138 Ų138136.2 Ų136.271%0.70874%0.738SS**  -175.4146.3128.6-96.6155.6000110.3
816N36.5Very low33.5Very low140 Ų140138.1 Ų138.175%0.74974%0.744SS**  trans-104143-179.1-176.8-0.6000111.6A818N816-A818 PolarHBondContact OD1-N 3.2Å
817W36.7Very low33.5Very low231 Ų231137.4 Ų137.488%0.87575%0.753SS**  trans-137.349.8-179.9-80.2104.2000113.6
818A37.9Very low33.9Very low75 Ų75138.7 Ų138.762%0.6276%0.759SS**  trans-66.6155.2158.300000111.2N816N816-A818 PolarHBondContact OD1-N 3.2Å
819E32.7Very low34.6Very low192 Ų192137 Ų13790%0.89776%0.76SS**  trans87.478.9175.7-55-165.4174.100119.6
820A35.8Very low34.5Very low100 Ų100136.8 Ų136.883%0.82677%0.766SS**  trans-158.568.8146.600000109.2
821S32.2Very low34.5Very low84 Ų84136.7 Ų136.759%0.58777%0.766SS**  50.9111.980-167.70000114.2
822F30.1Very low34.5Very low180 Ų180142.5 Ų142.579%0.78977%0.77SS**  170.3119.2107-92.3-68.8000112.2
823L31.8Very low34.4Very low146 Ų146147.4 Ų147.476%0.76478%0.778SS**  trans63.2148.1145.4-67.1166.6000119.7
824D30.5Very low34.4Very low147 Ų147145.8 Ų145.879%0.78678%0.777SS**  cis-152.4172.9-11.7-153.4-13000110.2
825A35.3Very low34.6Very low76 Ų76142 Ų14263%0.62877%0.77SS**  trans-95.7-165.1169.700000110.4
826P45.8Very low34.9Very low122 Ų122143.7 Ų143.779%0.79278%0.775SS**  cis-134.6-177.1-9.742.2-25.6000114.6
827A29.8Very low35.2Very low95 Ų95145.6 Ų145.679%0.78578%0.776SS**  150.1154.9129.300000116.4
828K38.8Very low35.3Very low198 Ų198141.4 Ų141.486%0.86176%0.764SS**  trans-133174.7159-53.2177.4179.6173.70106.1
829P47.6Very low35.5Very low107 Ų107144.4 Ų144.470%0.69577%0.77SS**  cis-142.2-169.20.445.3-26.7000116.1
830L29.7Very low36.1Very low165 Ų165140.9 Ų140.986%0.86475%0.754SS**  trans77.8135150.1-72.2173000124.7
831S30.3Very low36.5Very low103 Ų103141.7 Ų141.772%0.7274%0.743SS**  trans85.688.4134.8-168.30000125.3
832R30.8Very low37.2Very low239 Ų239144 Ų14490%0.90275%0.748SS**  54.7104.3114.2-163.6-170.3-159.6-157.97.3122.2
833R31.6Very low37.8Very low243 Ų243138.9 Ų138.992%0.91774%0.74SS**  trans-166.9134.7140.3-108.1179.1179.4-163.1-0.4110.3
834S33Very low38.1Very low107 Ų107139 Ų13975%0.74873%0.734SS**  69.7133.995-166.20000115.3
835S35.9Very low38.5Very low93 Ų93139.6 Ų139.665%0.6574%0.736SS**  cis-166.8171-13.556.20000111.1
836H39.6Very low38.3Very low175 Ų175140.7 Ų140.781%0.8174%0.738SS**  trans32.2110.7163.2-65.3-71.6000120.7
837K42.7Very low37.5Very low180 Ų180144.4 Ų144.478%0.78374%0.742SS**  trans-159.35.9150-120.5168.6-173.4-177.80118.6
838F38.6Very low38.2Very low142 Ų142145.7 Ų145.762%0.62374%0.742SS**SBendtrans-85-36.3-171.9-163.5-112.9000114.9E840 L841 L842F838-E840 PolarHBondContact O-N 3.15Å; F838-E840 VanDerWaalsContact O-N 3.08Å; F838-L841 PolarHBondContact O-N 3.04Å; F838-L842 HydrophobicContact CD1-CD1 4.26Å; F838-L842 HydrophobicContact CE1-CD1 3.92Å; F838-L842 HydrophobicContact CE1-CG 4.45Å
839N42.5Very low37.7Very low138 Ų138140.3 Ų140.374%0.73874%0.735SS**THydrogen-bonded Turntrans-69.4-8.9-172.6-65.312.2000114.7
840E46Very low36.8Very low119 Ų119143.4 Ų143.456%0.55674%0.74SS**THydrogen-bonded Turntrans-83.1-22.3178.2-155.4-169.614400112.9F838 K844F838-E840 PolarHBondContact O-N 3.15Å; F838-E840 VanDerWaalsContact O-N 3.08Å; E840-K844 IonicContact OE1-NZ 3.93Å; E840-K844 PolarHBondContact OE1-NZ 3.37Å; E840-K844 VanDerWaalsContact OE1-NZ 3.17Å
841L44.4Very low36.7Very low117 Ų117142.4 Ų142.461%0.61374%0.736SS**THydrogen-bonded Turntrans-83.1-35.1-178.3-68.6169.4000112.4F838 A843 K844F838-L841 PolarHBondContact O-N 3.04Å; L841-A843 PolarHBondContact O-N 2.92Å; L841-K844 PolarHBondContact O-N 3.46Å
842L46.2Very low37Very low131 Ų131143.2 Ų143.269%0.68674%0.741SS**THydrogen-bonded Turntrans-71.4-11.5179.8-65.5175000113.9F838F838-L842 HydrophobicContact CD1-CD1 4.26Å; F838-L842 HydrophobicContact CE1-CD1 3.92Å; F838-L842 HydrophobicContact CE1-CG 4.45Å
843A42.5Very low37Very low74 Ų74135.3 Ų135.361%0.61273%0.734SS**THydrogen-bonded Turntrans-90.3-2.2-17900000114.4L841L841-A843 PolarHBondContact O-N 2.92Å
844K39.5Very low37.5Very low147 Ų147130.7 Ų130.764%0.63973%0.727SS**SBendtrans-115.15.4-166.5-74.3176.9178.4163.60116E840 L841E840-K844 IonicContact OE1-NZ 3.93Å; E840-K844 PolarHBondContact OE1-NZ 3.37Å; E840-K844 VanDerWaalsContact OE1-NZ 3.17Å; L841-K844 PolarHBondContact O-N 3.46Å
845I38.3Very low37.9Very low161 Ų161133.3 Ų133.383%0.82673%0.733SS**  trans-124.950.5-176.2-37.8-178.1000111.5
846S30.1Very low38.1Very low98 Ų98135.5 Ų135.569%0.68573%0.731SS**SBendtrans-130.575.9179.564.90000113.6
847K30.6Very low38.9Very low200 Ų200133.5 Ų133.587%0.8773%0.727SS**  trans70.1169.1170.8-46.7-179.1-179.4-176.50114.3
848P44.1Very low39.1Very low122 Ų122132.7 Ų132.779%0.79273%0.726SS**  -134.8-161.4-60.841-26.2000111.8
849A27.4Very low39.7Very low86 Ų86133.1 Ų133.171%0.71173%0.727SS**  trans93.2109.1158.300000119.1
850H29.1Very low40.3Very low172 Ų172130.4 Ų130.480%0.79671%0.713SS**  49139.9123.5-96.9-85.8000122.5
851N28.4Very low40.6Very low144 Ų144129.1 Ų129.177%0.7771%0.707SS**  trans81.4138.9165.9-47.2-25.1000114.2
852S35.4Very low40.9Very low119 Ų119130.5 Ų130.583%0.83271%0.712SS**  cis-167.5157.1-3.443.20000110.6
853G31.4Very low41.2Very low73 Ų73128.2 Ų128.275%0.75370%0.703SS**  trans97.3117.1-171.900000109.4
854D41.2Very low41.6Very low146 Ų146132.9 Ų132.978%0.78171%0.71SS**  cis76.150.225.2-148.733.8000114.8
855D42Very low41.4Very low163 Ų163132.3 Ų132.387%0.87271%0.71SS**  trans-114.3112.2148.9-74.8-56.2000106.4
856F39.3Very low41.1Very low138 Ų138129.9 Ų129.961%0.60571%0.707SS**  trans-116.8104.4-177.3-124.6-75.2000108.9D860F856-D860 HydrophobicContact CD1-CB 4.01Å; F856-D860 HydrophobicContact CE1-CB 3.88Å
857D57.1Low41.3Very low134 Ų134131.9 Ų131.972%0.71772%0.715SS**  trans-70.1151.3-174.3-85.2-35.9000113.1F859 D860D857-F859 PolarHBondContact O-N 3.32Å; D857-D860 PolarHBondContact O-N 3.06Å; D857-D860 VanDerWaalsContact O-N 3.11Å
858E47.8Very low41.5Very low163 Ų163131.3 Ų131.376%0.76271%0.713SS**Hα-helixtrans-54.1-25.5-170.3-169.6175167.400114.6
859F50.6Low40.8Very low150 Ų150134 Ų13466%0.65872%0.715SS**Hα-helixtrans-67.3-44.7179-166.8-101.9000112.8D857 Q861 M862D857-F859 PolarHBondContact O-N 3.32Å; F859-Q861 VanDerWaalsContact C-N 3.29Å; F859-Q861 PolarHBondContact O-N 3.43Å; F859-M862 PolarHBondContact O-N 2.97Å
860D54.8Low40.9Very low82 Ų82134.6 Ų134.644%0.43972%0.72SS.*Hα-helixtrans-73-23.4-174.5-72.7-23.8000112.5F856 D857 M862 V863F856-D860 HydrophobicContact CD1-CB 4.01Å; F856-D860 HydrophobicContact CE1-CB 3.88Å; D857-D860 PolarHBondContact O-N 3.06Å; D857-D860 VanDerWaalsContact O-N 3.11Å; D860-M862 VanDerWaalsContact C-N 3.35Å; D860-V863 PolarHBondContact O-N 2.92Å
861Q53.4Low41.1Very low92 Ų92131.6 Ų131.643%0.4372%0.724SS.*Hα-helixtrans-69.5-31173.5-63.2-159.530.300112.6F859 Q865F859-Q861 VanDerWaalsContact C-N 3.29Å; F859-Q861 PolarHBondContact O-N 3.43Å; Q861-Q865 WeakPolarHBondContact O-CB 3.47Å; Q861-Q865 WeakPolarHBondContact O-CG 3.41Å
862M49.5Very low41.3Very low146 Ų146129.7 Ų129.772%0.71972%0.723SS**Hα-helixtrans-74.1-23.5177.3-75.2-169-75.500113.7F859 D860F859-M862 PolarHBondContact O-N 2.97Å; D860-M862 VanDerWaalsContact C-N 3.35Å
863V52.8Low41.2Very low83 Ų83129.3 Ų129.350%0.50372%0.72SS.*Hα-helixtrans-84.5-25.9-175-174.60000112.7D860D860-V863 PolarHBondContact O-N 2.92Å
864F50Low41.2Very low172 Ų172131.2 Ų131.275%0.75473%0.729SS**Hα-helixtrans-130.112.6-169.8-66.8-69.7000116.7
865Q36.8Very low40.7Very low134 Ų134127.9 Ų127.963%0.62673%0.728SS**  trans-106.456.6178.8-66.8-166.339.600115.3Q861Q861-Q865 WeakPolarHBondContact O-CB 3.47Å; Q861-Q865 WeakPolarHBondContact O-CG 3.41Å
866S31.8Very low40.4Very low111 Ų111128.9 Ų128.978%0.77673%0.728SS**  trans-173.7131.2148.344.30000109.2
867T33.1Very low40.2Very low139 Ų139129 Ų12985%0.85374%0.74SS**  cis-138.1154.512.549.10000111.4
868K35Very low39.3Very low189 Ų189128.2 Ų128.282%0.82275%0.745SS**  trans-144125.8160.1-163.6178-177.4-179.10108.6
869E29.5Very low39Very low179 Ų179128.3 Ų128.384%0.83675%0.751SS**SBendtrans67.9134.7-170.5-55.4175.3-146.300113
870A30.1Very low38.3Very low98 Ų98129.3 Ų129.381%0.8176%0.759SS**  cis-135.8166.44.200000112.6
871A33.9Very low38.1Very low108 Ų108130.7 Ų130.789%0.89377%0.773SS**  trans-72.2124.2-16700000115.4
872S32.1Very low37.8Very low105 Ų105135.9 Ų135.973%0.73480%0.797SS**  trans-159.7140.5151.157.60000112.4
873S32.8Very low38.1Very low110 Ų110130.7 Ų130.777%0.76978%0.781SS**  trans55.7103.1160.958.40000121
874A31Very low38.3Very low114 Ų114132.7 Ų132.794%0.94279%0.789SS**  trans64.7138.8134.700000122.3
875G31.8Very low38.6Very low75 Ų75129.6 Ų129.677%0.77378%0.78SS**  trans125.484.5150.700000118.2
876E35.9Very low39.6Very low185 Ų185129.2 Ų129.286%0.86478%0.781SS**  trans24.3138.6144-64.3177.4145.100123.8
877T34.7Very low40.7Very low139 Ų139130.3 Ų130.385%0.85378%0.778SS**  trans62.7119.4158.259.40000118.7
878S38.4Very low41.4Very low118 Ų118130.3 Ų130.383%0.82577%0.772SS**  -170.7153.176.338.40000112.1
879D41.9Very low42.2Very low166 Ų166127.9 Ų127.989%0.88876%0.761SS**PPolyproline II helixtrans-84.9130.1-178-69.6-73.3000113.4
880M35.8Very low43Very low170 Ų170122.6 Ų122.684%0.83776%0.755SS**PPolyproline II helixtrans-85.6118.8170.5-175.171.771.900109.7Q882M880-Q882 PolarHBondContact O-N 3.4Å
881P50Low43.8Very low112 Ų112123.6 Ų123.673%0.72774%0.743SS**PPolyproline II helixtrans-69120.9-176.826.4-33.7000112G883P881-G883 PolarHBondContact O-N 2.99Å
882Q46.3Very low44.4Very low201 Ų201125.6 Ų125.694%0.93974%0.737SS**THydrogen-bonded Turntrans-72.2122.1177.5-61.4-178.211.200110.8M880M880-Q882 PolarHBondContact O-N 3.4Å
883G56.7Low44.8Very low37 Ų37127.1 Ų127.138%0.38173%0.73SS.*THydrogen-bonded Turntrans162.3-30.6173.800000115.5P881 D885 L886 L887P881-G883 PolarHBondContact O-N 2.99Å; G883-D885 PolarHBondContact O-N 3.36Å; G883-D885 VanDerWaalsContact O-N 3.16Å; G883-L886 PolarHBondContact O-N 2.82Å; G883-L887 PolarHBondContact O-N 3.31Å
884L57.8Low45.1Very low125 Ų125128.6 Ų128.665%0.65474%0.735SS**Hα-helixtrans-56.2-36.1-178.5-126.8163.9000112.6L886 L887 L888L884-L886 VanDerWaalsContact C-N 3.26Å; L884-L886 PolarHBondContact O-N 3.24Å; L884-L887 PolarHBondContact O-N 2.93Å; L884-L888 HydrophobicContact CD2-CD1 3.9Å; L884-L888 HydrophobicContact CD2-CG 4.46Å; L884-L888 PolarHBondContact O-N 2.93Å; L884-L888 VanDerWaalsContact O-N 3.15Å
885D55.8Low45.2Very low106 Ų106129.3 Ų129.357%0.56773%0.728SS**Hα-helixtrans-66.8-17.2179.6-123.354.7000115.3G883 K889G883-D885 PolarHBondContact O-N 3.36Å; G883-D885 VanDerWaalsContact O-N 3.16Å; D885-K889 WeakPolarHBondContact O-CD 3.49Å; D885-K889 WeakPolarHBondContact O-CE 3.44Å; D885-K889 PolarHBondContact O-NZ 3.41Å; D885-K889 IonicContact OD2-NZ 2.82Å; D885-K889 PolarHBondContact OD2-NZ 3.11Å
886L57.7Low45.1Very low127 Ų127130.1 Ų130.167%0.66573%0.727SS**Hα-helixtrans-91.4-33.7172.1-75.6112.6000111.8G883 L884 K889G883-L886 PolarHBondContact O-N 2.82Å; L884-L886 VanDerWaalsContact C-N 3.26Å; L884-L886 PolarHBondContact O-N 3.24Å; L886-K889 PolarHBondContact O-N 2.83Å
887L53.6Low45Very low134 Ų134128.6 Ų128.670%0.70272%0.723SS**Hα-helixtrans-64-45.1176.5-145.589.9000110.9G883 L884 K889 G890G883-L887 PolarHBondContact O-N 3.31Å; L884-L887 PolarHBondContact O-N 2.93Å; L887-K889 PolarHBondContact O-N 2.86Å; L887-K889 VanDerWaalsContact O-N 3.15Å; L887-G890 PolarHBondContact O-N 2.79Å
888L49.5Very low45.2Very low139 Ų139128 Ų12873%0.72872%0.722SS**THydrogen-bonded Turntrans-65.4-12.6178.8-83.9159.6000114.7L884L884-L888 HydrophobicContact CD2-CD1 3.9Å; L884-L888 HydrophobicContact CD2-CG 4.46Å; L884-L888 PolarHBondContact O-N 2.93Å; L884-L888 VanDerWaalsContact O-N 3.15Å
889K50.6Low44.7Very low137 Ų137130.5 Ų130.560%0.59672%0.721SS**THydrogen-bonded Turntrans-100.9-5.2177.7-68.8173.2-169.2123.50113.4D885 L886 L887 E891D885-K889 WeakPolarHBondContact O-CD 3.49Å; D885-K889 WeakPolarHBondContact O-CE 3.44Å; D885-K889 PolarHBondContact O-NZ 3.41Å; D885-K889 IonicContact OD2-NZ 2.82Å; D885-K889 PolarHBondContact OD2-NZ 3.11Å; L886-K889 PolarHBondContact O-N 2.83Å; L887-K889 PolarHBondContact O-N 2.86Å; L887-K889 VanDerWaalsContact O-N 3.15Å; K889-E891 VanDerWaalsContact C-N 3.26Å; K889-E891 PolarHBondContact O-N 2.69Å
890G47.7Very low44Very low68 Ų68128.6 Ų128.670%0.70172%0.715SS**THydrogen-bonded Turntrans6913.217200000116L887L887-G890 PolarHBondContact O-N 2.79Å
891E45Very low43.5Very low119 Ų119131.9 Ų131.956%0.55672%0.718SS**  trans-103.572.1-176.2-67.7-159.8139.300113.3K889 K893K889-E891 VanDerWaalsContact C-N 3.26Å; K889-E891 PolarHBondContact O-N 2.69Å; E891-K893 PolarHBondContact O-N 3.46Å; E891-K893 IonicContact OE1-NZ 2.61Å; E891-K893 PolarHBondContact OE1-NZ 2.91Å; E891-K893 WeakPolarHBondContact OE2-CE 3.43Å; E891-K893 IonicContact OE2-NZ 3.17Å; E891-K893 PolarHBondContact OE2-NZ 3.44Å
892I47.5Very low42.6Very low151 Ų151130.9 Ų130.977%0.77472%0.719SS**  trans-82.593.7166.9-54.6178.7000108.7T894I892-T894 PolarHBondContact O-N 2.91Å
893K40Very low41.8Very low136 Ų136127.7 Ų127.759%0.59172%0.716SS**  trans-89.8102.1-177.1-72.9171175.9154.70112E891 T895E891-K893 PolarHBondContact O-N 3.46Å; E891-K893 IonicContact OE1-NZ 2.61Å; E891-K893 PolarHBondContact OE1-NZ 2.91Å; E891-K893 WeakPolarHBondContact OE2-CE 3.43Å; E891-K893 IonicContact OE2-NZ 3.17Å; E891-K893 PolarHBondContact OE2-NZ 3.44Å; K893-T895 HydrophobicContact CB-CG2 4.31Å; K893-T895 PolarHBondContact O-N 3.19Å; K893-T895 VanDerWaalsContact O-N 3.15Å
894T39Very low40.3Very low142 Ų142129 Ų12987%0.87173%0.73SS**  trans-72.498163.242.20000109.5I892I892-T894 PolarHBondContact O-N 2.91Å
895T34Very low39.2Very low128 Ų128130.6 Ų130.679%0.78574%0.739SS**PPolyproline II helixtrans-86.5125.5-173.6440000112.5K893K893-T895 HydrophobicContact CB-CG2 4.31Å; K893-T895 PolarHBondContact O-N 3.19Å; K893-T895 VanDerWaalsContact O-N 3.15Å
896A28.5Very low38Very low93 Ų93134.3 Ų134.377%0.76975%0.753SS**PPolyproline II helixtrans-82.1171.7164.100000111.4
897I35.1Very low36.7Very low152 Ų152134 Ų13478%0.77976%0.756SS**PPolyproline II helixtrans-56.7145-174.1-58.1152.8000113.2E899I897-E899 HydrophobicContact CG2-CG 4.37Å
898P37.6Very low35.8Very low126 Ų126133.7 Ų133.782%0.81876%0.762SS**  -125.8151125.43.717.6000113.5
899E28.8Very low35.3Very low172 Ų172135 Ų13580%0.80477%0.768SS**  trans-83.2160.4-178.5-57.2162.699.800113.3I897I897-E899 HydrophobicContact CG2-CG 4.37Å
900T27.5Very low34.5Very low125 Ų125137 Ų13777%0.76778%0.78SS**  162.4139.8109.1-53.20000111.4
901R23.9Very low34.2Very low240 Ų240136 Ų13691%0.90676%0.761SS**  trans91142168.3-57.8-171.8169.2172.6-3.3117.1
902A31.8Very low34.2Very low90 Ų90137.6 Ų137.674%0.74477%0.769SS**  trans-78154.317600000111.6
903P30.1Very low34.3Very low134 Ų134136.5 Ų136.587%0.8776%0.76SS**  -118.7-159.181.841.8-36.4000109.8
904G24.4Very low35Very low66 Ų66133.3 Ų133.368%0.6875%0.752SS**  cis154.9150.317.900000107.4
905N35.5Very low35.3Very low158 Ų158131.3 Ų131.385%0.84574%0.736SS**  trans-73.4138.4-174-59-21.5000112.8
906Q29.7Very low36Very low183 Ų183128.8 Ų128.886%0.85572%0.72SS**  trans-172141.5137.4-106.9148.1104.500114.9
907T30.6Very low36.6Very low121 Ų121131.8 Ų131.874%0.74272%0.723SS**  trans34.9136.5153.853.40000122.9
908P35.6Very low37.9Very low127 Ų127127.6 Ų127.683%0.82572%0.717SS**PPolyproline II helixtrans-79.4153168.935-34.4000112.8
909I38.3Very low38.4Very low166 Ų166126 Ų12685%0.85170%0.702SS**PPolyproline II helixtrans-95.5135.7173.9-62.2169.6000109.3
910E34.4Very low39.8Very low180 Ų180122 Ų12284%0.84169%0.689SS**PPolyproline II helixtrans-67.9138.3176-65-170.9129.800112.1
911P40.8Very low41Very low47 Ų47122.1 Ų122.131%0.30568%0.676SS.*PPolyproline II helixtrans-79123.4175.431.8-32.2000110.7Q913 R924P911-Q913 PolarHBondContact O-N 3.28Å; P911-R924 HydrophobicContact CB-CG 4.19Å
912Q45.6Very low42.1Very low153 Ų153113.6 Ų113.672%0.71565%0.653SS**EExtended strand (participates in β ladder)trans-63.8123176.1-170.9173.19.400110.3V923Q912-V923 PolarHBondContact O-N 3.03Å
913Q49.2Very low43.1Very low127 Ų127112.9 Ų112.959%0.59364%0.64SS**EExtended strand (participates in β ladder)trans-89.2141.3177.5-71.1-178.7-9.700111P911 V920 Y921P911-Q913 PolarHBondContact O-N 3.28Å; Q913-V920 HydrophobicContact CB-CG1 3.76Å; Q913-V920 HydrophobicContact CG-CG1 3.88Å; Q913-Y921 WeakPolarHBondContact CA-O 3.3Å
914V54Low44Very low69 Ų69115.3 Ų115.342%0.41863%0.632SS.*EExtended strand (participates in β ladder)trans-133.8124.9173.7-176.40000107.9V916 Y921 V923V914-V916 HydrophobicContact CG1-CG2 4.28Å; V914-Y921 PolarHBondContact N-O 3.1Å; V914-Y921 PolarHBondContact O-N 2.88Å; V914-V923 HydrophobicContact CB-CG2 4.25Å; V914-V923 HydrophobicContact CG2-CG2 3.83Å
915D45.1Very low45.1Very low100 Ų100117.5 Ų117.554%0.53563%0.632SS.*EExtended strand (participates in β ladder)trans-88.4132.4174.2-172.54.7000110.1G918 N919D915-G918 VanDerWaalsContact OD1-C 3.31Å; D915-G918 VanDerWaalsContact OD1-CA 3.26Å; D915-G918 WeakPolarHBondContact OD1-CA 3.45Å; D915-G918 PolarHBondContact OD1-N 3.25Å; D915-N919 PolarHBondContact OD1-N 2.88Å
916V50.3Low45.4Very low75 Ų75113.3 Ų113.346%0.45561%0.614SS.*EExtended strand (participates in β ladder)trans-141.5127.5170.1-174.10000107.6V914 G918 N919 Y921V914-V916 HydrophobicContact CG1-CG2 4.28Å; V916-G918 PolarHBondContact O-N 3.38Å; V916-N919 PolarHBondContact N-O 3.15Å; V916-N919 PolarHBondContact O-N 2.91Å; V916-Y921 HydrophobicContact CB-CD2 4.44Å; V916-Y921 HydrophobicContact CB-CE2 4.22Å
917D41Very low46.2Very low156 Ų156112.6 Ų112.683%0.83461%0.61SS**THydrogen-bonded Turntrans50.839.1-177.6-57.4-26.5000113.8N919D917-N919 VanDerWaalsContact C-N 3.33Å; D917-N919 PolarHBondContact O-N 2.81Å; D917-N919 PolarHBondContact O-ND2 2.99Å
918G61.6Low47.1Very low64 Ų64110.9 Ų110.966%0.6660%0.6SS**THydrogen-bonded Turntrans7517175.700000114.7D915 V916D915-G918 VanDerWaalsContact OD1-C 3.31Å; D915-G918 VanDerWaalsContact OD1-CA 3.26Å; D915-G918 WeakPolarHBondContact OD1-CA 3.45Å; D915-G918 PolarHBondContact OD1-N 3.25Å; V916-G918 PolarHBondContact O-N 3.38Å
919N49.3Very low48.1Very low92 Ų92110.3 Ų110.349%0.49260%0.596SS.*EExtended strand (participates in β ladder)trans-119.4122.3176-73.4-81.6000110.2D915 V916 D917 Y921D915-N919 PolarHBondContact OD1-N 2.88Å; V916-N919 PolarHBondContact N-O 3.15Å; V916-N919 PolarHBondContact O-N 2.91Å; D917-N919 VanDerWaalsContact C-N 3.33Å; D917-N919 PolarHBondContact O-N 2.81Å; D917-N919 PolarHBondContact O-ND2 2.99Å; N919-Y921 HydrophobicContact CB-CD2 4.44Å; N919-Y921 HydrophobicContact CB-CE1 4.48Å; N919-Y921 HydrophobicContact CB-CE2 3.65Å; N919-Y921 WeakPolarHBondContact O-CD2 3.36Å; N919-Y921 WeakPolarHBondContact O-CE2 3.5Å; N919-Y921 PolarHBondContact O-N 3.07Å
920V57.6Low49.2Very low88 Ų88107.2 Ų107.253%0.53358%0.576SS.*EExtended strand (participates in β ladder)trans-83.5101.3-177.2-175.80000110.7Q913Q913-V920 HydrophobicContact CB-CG1 3.76Å; Q913-V920 HydrophobicContact CG-CG1 3.88Å
921Y52.8Low50.7Low129 Ų129101.2 Ų101.251%0.50655%0.553SS.*EExtended strand (participates in β ladder)trans-89.8122.6179.1-60.7-80.2000111.5Q913 V914 V916 N919 V923Q913-Y921 WeakPolarHBondContact CA-O 3.3Å; V914-Y921 PolarHBondContact N-O 3.1Å; V914-Y921 PolarHBondContact O-N 2.88Å; V916-Y921 HydrophobicContact CB-CD2 4.44Å; V916-Y921 HydrophobicContact CB-CE2 4.22Å; N919-Y921 HydrophobicContact CB-CD2 4.44Å; N919-Y921 HydrophobicContact CB-CE1 4.48Å; N919-Y921 HydrophobicContact CB-CE2 3.65Å; N919-Y921 WeakPolarHBondContact O-CD2 3.36Å; N919-Y921 WeakPolarHBondContact O-CE2 3.5Å; N919-Y921 PolarHBondContact O-N 3.07Å; Y921-V923 PolarHBondContact O-N 3.15Å
922S45.8Very low52.1Low60 Ų60103.5 Ų103.542%0.4256%0.562SS.*EExtended strand (participates in β ladder)trans-81.198.6172.6-68.50000110.9R924S922-R924 PolarHBondContact O-N 2.91Å
923V53.8Low53.3Low76 Ų7696.8 Ų96.846%0.46153%0.531SS..EExtended strand (participates in β ladder)trans-75.5118.8-177.9-177.10000110.1Q912 V914 Y921Q912-V923 PolarHBondContact O-N 3.03Å; V914-V923 HydrophobicContact CB-CG2 4.25Å; V914-V923 HydrophobicContact CG2-CG2 3.83Å; Y921-V923 PolarHBondContact O-N 3.15Å
924R47.9Very low54.2Low185 Ų18593.6 Ų93.670%0.69853%0.526SS*.  trans-116.4122.5172.4-63.9-171.7-176.7-141.10.3109.9P911 S922 C926P911-R924 HydrophobicContact CB-CG 4.19Å; S922-R924 PolarHBondContact O-N 2.91Å; R924-C926 PolarHBondContact O-N 3.19Å
925V48.2Very low55.1Low112 Ų11295.1 Ų95.168%0.67954%0.536SS*.  trans-77.689.5177.9-170.10000109.6H927V925-H927 WeakPolarHBondContact CG1-CE1 3.12Å; V925-H927 PolarHBondContact O-N 2.84Å; V925-H927 PolarHBondContact O-ND1 2.78Å
926C41.4Very low56.5Low70 Ų7092 Ų9247%0.47352%0.519SS..  trans-69.396178.1-71.30000111.5R924 T928R924-C926 PolarHBondContact O-N 3.19Å; C926-T928 PolarHBondContact O-N 2.92Å
927H45.8Very low58Low168 Ų16891.6 Ų91.678%0.77852%0.518SS*.  trans-75.26.7175.1-69.478.7000113.9V925 P929V925-H927 WeakPolarHBondContact CG1-CE1 3.12Å; V925-H927 PolarHBondContact O-N 2.84Å; V925-H927 PolarHBondContact O-ND1 2.78Å; H927-P929 WeakPolarHBondContact O-CD 3.28Å
928T50.5Low59.7Low85 Ų8588.5 Ų88.552%0.52150%0.498SS..PPolyproline II helixtrans-77.4118.8178.848.90000110.7C926C926-T928 PolarHBondContact O-N 2.92Å
929P57.3Low60.4Low114 Ų11489.6 Ų89.674%0.7450%0.496SS*.PPolyproline II helixtrans-64.2144.7173.427.8-34.2000110.4H927 P931H927-P929 WeakPolarHBondContact O-CD 3.28Å; P929-P931 WeakPolarHBondContact O-CD 3.31Å; P929-P931 VanDerWaalsContact O-N 3.15Å
930K60.8Low62Low101 Ų10188.8 Ų88.844%0.43949%0.489SS..PPolyproline II helixtrans-51.5118.9-179.4177.3174.9173.9176.30110.6D932 E963 Y966K930-D932 PolarHBondContact O-N 3.13Å; K930-E963 IonicContact NZ-OE1 3.91Å; K930-E963 PolarHBondContact NZ-OE1 3Å; K930-Y966 WeakPolarHBondContact CA-OH 3.46Å; K930-Y966 HydrophobicContact CB-CE1 4Å; K930-Y966 HydrophobicContact CD-CD1 4.38Å; K930-Y966 HydrophobicContact CD-CE1 4.24Å; K930-Y966 HydrophobicContact CG-CD1 4.19Å; K930-Y966 HydrophobicContact CG-CE1 3.88Å
931P66.9Low63.1Low54 Ų5484.6 Ų84.635%0.35146%0.464SS..PPolyproline II helixtrans-61.3128.5176.7-22.733.6000110.5P929 F933P929-P931 WeakPolarHBondContact O-CD 3.31Å; P929-P931 VanDerWaalsContact O-N 3.15Å; P931-F933 VanDerWaalsContact C-N 3.26Å; P931-F933 HydrophobicContact CB-CD1 4.38Å; P931-F933 HydrophobicContact CB-CE1 4Å; P931-F933 HydrophobicContact CB-CE2 4.37Å; P931-F933 HydrophobicContact CB-CZ 4Å; P931-F933 HydrophobicContact CG-CE1 4.44Å; P931-F933 HydrophobicContact CG-CZ 4.14Å; P931-F933 WeakPolarHBondContact O-CD2 3.39Å; P931-F933 PolarHBondContact O-N 3.4Å
932D68.7Low64.4Low95 Ų9581 Ų8151%0.50845%0.453SS..  trans-77.982.3172.7-172-4.4000110.2K930 A934 T935K930-D932 PolarHBondContact O-N 3.13Å; D932-A934 PolarHBondContact O-N 3.11Å; D932-A934 WeakPolarHBondContact OD1-CB 3.44Å; D932-A934 PolarHBondContact OD1-N 2.9Å; D932-T935 HydrophobicContact CB-CG2 4.25Å; D932-T935 PolarHBondContact O-N 3.06Å; D932-T935 PolarHBondContact O-OG1 3.26Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.26Å
933F70.9Confident66.1Low13 Ų1383.6 Ų83.66%0.05746%0.458CS..THydrogen-bonded Turntrans-53.7-18.5175.2-57.1-71.2000113.4P931 T935 L936 I941 Q944 V959 L962 Y966P931-F933 VanDerWaalsContact C-N 3.26Å; P931-F933 HydrophobicContact CB-CD1 4.38Å; P931-F933 HydrophobicContact CB-CE1 4Å; P931-F933 HydrophobicContact CB-CE2 4.37Å; P931-F933 HydrophobicContact CB-CZ 4Å; P931-F933 HydrophobicContact CG-CE1 4.44Å; P931-F933 HydrophobicContact CG-CZ 4.14Å; P931-F933 WeakPolarHBondContact O-CD2 3.39Å; P931-F933 PolarHBondContact O-N 3.4Å; F933-T935 VanDerWaalsContact C-N 3.33Å; F933-L936 HydrophobicContact CD1-CD1 4.12Å; F933-I941 VanDerWaalsContact O-CD1 3.3Å; F933-I941 WeakPolarHBondContact O-CD1 3.19Å; F933-Q944 VanDerWaalsContact CE1-OE1 3.31Å; F933-V959 HydrophobicContact CB-CB 4.5Å; F933-V959 HydrophobicContact CB-CG1 4.05Å; F933-V959 HydrophobicContact CB-CG2 4.28Å; F933-V959 VanDerWaalsContact O-CG2 3.26Å; F933-V959 WeakPolarHBondContact O-CG2 3.1Å; F933-L962 HydrophobicContact CD1-CB 3.87Å; F933-L962 HydrophobicContact CD1-CD1 3.85Å; F933-L962 HydrophobicContact CD1-CG 4.47Å; F933-L962 HydrophobicContact CD2-CB 4.29Å; F933-L962 HydrophobicContact CE1-CB 3.9Å; F933-L962 HydrophobicContact CE1-CD1 4.24Å; F933-L962 HydrophobicContact CE2-CB 4.32Å; F933-L962 HydrophobicContact CG-CB 4.08Å; F933-L962 HydrophobicContact CZ-CB 4.13Å; F933-Y966 HydrophobicContact CE2-CD2 4.47Å; F933-Y966 HydrophobicContact CE2-CG 4.4Å; F933-Y966 HydrophobicContact CZ-CD2 4.38Å
934A68.7Low67.3Low59 Ų5981.6 Ų81.649%0.48844%0.444SS..THydrogen-bonded Turntrans-72.6-25.2174.900000113D932 R955D932-A934 PolarHBondContact O-N 3.11Å; D932-A934 WeakPolarHBondContact OD1-CB 3.44Å; D932-A934 PolarHBondContact OD1-N 2.9Å; A934-R955 PolarHBondContact O-NH2 3.16Å
935T71.8Confident69.1Low101 Ų10172.8 Ų72.862%0.6241%0.411SS*.THydrogen-bonded Turntrans-87.1-34.2-179.263.10000113.8D932 F933D932-T935 HydrophobicContact CB-CG2 4.25Å; D932-T935 PolarHBondContact O-N 3.06Å; D932-T935 PolarHBondContact O-OG1 3.26Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.26Å; F933-T935 VanDerWaalsContact C-N 3.33Å
936L75.3Confident70.8Confident34 Ų3473.2 Ų73.218%0.17840%0.401CS..SBendtrans-57.2147.2-174.7-63.2-179000113.2F933 I941 R955F933-L936 HydrophobicContact CD1-CD1 4.12Å; L936-I941 HydrophobicContact CB-CD1 4.29Å; L936-I941 HydrophobicContact CB-CG1 3.89Å; L936-I941 WeakPolarHBondContact O-CD1 3.49Å; L936-R955 PolarHBondContact O-NH1 2.91Å; L936-R955 PolarHBondContact O-NH2 3.4Å
937P81.3Confident72.9Confident67 Ų6777.5 Ų77.544%0.43541%0.412SS..  trans-64151.4175.826.5-33.1000111.8S939 E940 I941P937-S939 PolarHBondContact O-N 3.38Å; P937-E940 WeakPolarHBondContact CD-OE2 3.15Å; P937-E940 HydrophobicContact CG-CB 3.8Å; P937-E940 PolarHBondContact O-N 2.92Å; P937-I941 PolarHBondContact O-N 3.23Å; P937-I941 VanDerWaalsContact O-N 3.08Å
938E78.5Confident74.5Confident91 Ų9175.3 Ų75.343%0.42540%0.397SS..Hα-helixtrans-62.8-31.4-174.9-173.1160.1-157.200112.5E940 I941 L942 R955E938-E940 VanDerWaalsContact C-N 3.32Å; E938-E940 PolarHBondContact O-N 3.31Å; E938-I941 PolarHBondContact O-N 2.9Å; E938-L942 HydrophobicContact CG-CD1 4.29Å; E938-L942 HydrophobicContact CG-CG 4.37Å; E938-L942 WeakPolarHBondContact O-CB 3.49Å; E938-L942 WeakPolarHBondContact O-CG 3.39Å; E938-L942 PolarHBondContact O-N 3.39Å; E938-R955 HydrophobicContact CG-CB 4.41Å; E938-R955 WeakPolarHBondContact OE1-CB 3.41Å; E938-R955 PolarHBondContact OE1-N 3.04Å
939S75.6Confident76Confident88 Ų8874.6 Ų74.662%0.61541%0.407SS*.Hα-helixtrans-59.2-39.2171.5500000113.4P937 Q943P937-S939 PolarHBondContact O-N 3.38Å; S939-Q943 WeakPolarHBondContact O-CB 3.21Å; S939-Q943 PolarHBondContact O-N 3.13Å
940E81.9Confident77.3Confident74 Ų7471.4 Ų71.435%0.34638%0.383SS..Hα-helixtrans-79.5-38.2-178.1-175172.7-175.700111.6P937 E938 L942 Q943 Q944P937-E940 WeakPolarHBondContact CD-OE2 3.15Å; P937-E940 HydrophobicContact CG-CB 3.8Å; P937-E940 PolarHBondContact O-N 2.92Å; E938-E940 VanDerWaalsContact C-N 3.32Å; E938-E940 PolarHBondContact O-N 3.31Å; E940-L942 VanDerWaalsContact C-N 3.31Å; E940-L942 PolarHBondContact O-N 2.98Å; E940-Q943 CarbonylContact O-C 3.6Å; E940-Q943 PolarHBondContact O-N 2.72Å; E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 WeakPolarHBondContact O-CG 3.31Å; E940-Q944 PolarHBondContact O-N 3.39Å
941I82.2Confident78.5Confident0 Ų075.1 Ų75.10%040%0.399CS..Hα-helixtrans-57.7-44.7169.8-69.7169.4000110.6F933 L936 P937 E938 Q944 L945 R955 A958 V959 L962F933-I941 VanDerWaalsContact O-CD1 3.3Å; F933-I941 WeakPolarHBondContact O-CD1 3.19Å; L936-I941 HydrophobicContact CB-CD1 4.29Å; L936-I941 HydrophobicContact CB-CG1 3.89Å; L936-I941 WeakPolarHBondContact O-CD1 3.49Å; P937-I941 PolarHBondContact O-N 3.23Å; P937-I941 VanDerWaalsContact O-N 3.08Å; E938-I941 PolarHBondContact O-N 2.9Å; I941-Q944 PolarHBondContact O-N 2.87Å; I941-L945 PolarHBondContact O-N 2.99Å; I941-R955 HydrophobicContact CD1-CG 4.1Å; I941-A958 HydrophobicContact CG2-CB 3.37Å; I941-V959 HydrophobicContact CD1-CG2 3.89Å; I941-L962 HydrophobicContact CB-CD1 4.43Å; I941-L962 HydrophobicContact CG2-CD1 3.93Å
942L78.8Confident79.1Confident54 Ų5477 Ų7728%0.28341%0.412SS..Hα-helixtrans-69.4-34.9176-68.5-178.2000112.4E938 E940 L945 Y946 P952 L953E938-L942 HydrophobicContact CG-CD1 4.29Å; E938-L942 HydrophobicContact CG-CG 4.37Å; E938-L942 WeakPolarHBondContact O-CB 3.49Å; E938-L942 WeakPolarHBondContact O-CG 3.39Å; E938-L942 PolarHBondContact O-N 3.39Å; E940-L942 VanDerWaalsContact C-N 3.31Å; E940-L942 PolarHBondContact O-N 2.98Å; L942-L945 HydrophobicContact CD2-CD1 4.24Å; L942-L945 PolarHBondContact O-N 3.47Å; L942-Y946 WeakPolarHBondContact O-CB 3.44Å; L942-Y946 PolarHBondContact O-N 3.1Å; L942-P952 HydrophobicContact CD1-CB 4.38Å; L942-P952 HydrophobicContact CD2-CB 3.63Å; L942-P952 HydrophobicContact CG-CB 4.48Å; L942-L953 WeakPolarHBondContact CD2-O 3.4Å
943Q81.6Confident79.7Confident114 Ų11474.9 Ų74.953%0.53340%0.4SS..Hα-helixtrans-67-37.7173.8-170.1-178.715.500112S939 E940 Y946 K947S939-Q943 WeakPolarHBondContact O-CB 3.21Å; S939-Q943 PolarHBondContact O-N 3.13Å; E940-Q943 CarbonylContact O-C 3.6Å; E940-Q943 PolarHBondContact O-N 2.72Å; Q943-Y946 PolarHBondContact O-N 3.44Å; Q943-K947 WeakPolarHBondContact O-CG 3.49Å; Q943-K947 PolarHBondContact O-N 2.87Å
944Q80.5Confident80.3Confident34 Ų3482.1 Ų82.116%0.15943%0.432CS..Hα-helixtrans-66.6-44.5174-72.71730.100111F933 E940 I941 Y946 K947 Y948 L962F933-Q944 VanDerWaalsContact CE1-OE1 3.31Å; E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 WeakPolarHBondContact O-CG 3.31Å; E940-Q944 PolarHBondContact O-N 3.39Å; I941-Q944 PolarHBondContact O-N 2.87Å; Q944-Y946 VanDerWaalsContact C-N 3.3Å; Q944-Y946 PolarHBondContact O-N 3.04Å; Q944-K947 WeakPolarHBondContact O-CB 3.43Å; Q944-K947 PolarHBondContact O-N 3.49Å; Q944-Y948 WeakPolarHBondContact O-CD2 3.28Å; Q944-Y948 PolarHBondContact O-N 3.38Å; Q944-Y948 VanDerWaalsContact O-N 3.16Å; Q944-L962 HydrophobicContact CB-CD1 3.97Å; Q944-L962 HydrophobicContact CB-CD2 3.82Å
945L84.7Confident80.8Confident0 Ų083.1 Ų83.10%042%0.423CS..Hα-helixtrans-57-43.6171.1-75.6-177.4000112.2I941 L942 K947 Y948 G949 I950 L953 A958 M961 L962I941-L945 PolarHBondContact O-N 2.99Å; L942-L945 HydrophobicContact CD2-CD1 4.24Å; L942-L945 PolarHBondContact O-N 3.47Å; L945-K947 VanDerWaalsContact C-N 3.34Å; L945-K947 PolarHBondContact O-N 3.04Å; L945-Y948 CarbonylContact O-C 3.59Å; L945-Y948 WeakPolarHBondContact O-CA 3.4Å; L945-Y948 PolarHBondContact O-N 2.95Å; L945-Y948 VanDerWaalsContact O-N 3.07Å; L945-G949 PolarHBondContact O-N 3.03Å; L945-I950 CarbonylContact C-O 3.59Å; L945-I950 HydrophobicContact CB-CB 4.3Å; L945-I950 HydrophobicContact CD2-CB 4.13Å; L945-I950 HydrophobicContact CD2-CD1 4.36Å; L945-I950 HydrophobicContact CD2-CG2 4.08Å; L945-I950 PolarHBondContact O-N 3.06Å; L945-L953 HydrophobicContact CD1-CB 3.89Å; L945-L953 HydrophobicContact CD1-CD1 4.04Å; L945-L953 HydrophobicContact CD1-CG 4.35Å; L945-A958 HydrophobicContact CD1-CB 3.5Å; L945-A958 VanDerWaalsContact CD1-CB 3.5Å; L945-A958 HydrophobicContact CG-CB 4.27Å; L945-M961 HydrophobicContact CD2-CB 4.11Å; L945-M961 HydrophobicContact CD2-CG 3.92Å; L945-L962 HydrophobicContact CD2-CD2 3.85Å; L945-L962 HydrophobicContact CD2-CG 3.89Å; L945-L962 HydrophobicContact CG-CD2 4.28Å; L945-L962 HydrophobicContact CG-CG 4.28Å
946Y84.4Confident81.2Confident122 Ų12287.1 Ų87.148%0.47843%0.432SS..Hα-helixtrans-64.6-35.1178.3-173.4-92.9000112.6L942 Q943 Q944 Y948 G949 R1124L942-Y946 WeakPolarHBondContact O-CB 3.44Å; L942-Y946 PolarHBondContact O-N 3.1Å; Q943-Y946 PolarHBondContact O-N 3.44Å; Q944-Y946 VanDerWaalsContact C-N 3.3Å; Q944-Y946 PolarHBondContact O-N 3.04Å; Y946-Y948 VanDerWaalsContact C-N 3.28Å; Y946-Y948 PolarHBondContact O-N 2.97Å; Y946-G949 PolarHBondContact O-N 3.16Å; Y946-R1124 PolarHBondContact OH-NH2 3.03Å; Y946-R1124 VanDerWaalsContact OH-NH2 3.1Å
947K84.9Confident81.6Confident160 Ų16090.8 Ų90.870%0.69645%0.448SS*.Hα-helixtrans-61.8-34.7170.5-74.7176.1178.1-175.80112.3Q943 Q944 L945 G949Q943-K947 WeakPolarHBondContact O-CG 3.49Å; Q943-K947 PolarHBondContact O-N 2.87Å; Q944-K947 WeakPolarHBondContact O-CB 3.43Å; Q944-K947 PolarHBondContact O-N 3.49Å; L945-K947 VanDerWaalsContact C-N 3.34Å; L945-K947 PolarHBondContact O-N 3.04Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.3Å
948Y79.6Confident81.7Confident121 Ų12187.6 Ų87.648%0.47543%0.427SS..THydrogen-bonded Turntrans-8510.6172.4-63.2-64.7000113.6Q944 L945 Y946 I950 L962 I965Q944-Y948 WeakPolarHBondContact O-CD2 3.28Å; Q944-Y948 PolarHBondContact O-N 3.38Å; Q944-Y948 VanDerWaalsContact O-N 3.16Å; L945-Y948 CarbonylContact O-C 3.59Å; L945-Y948 WeakPolarHBondContact O-CA 3.4Å; L945-Y948 PolarHBondContact O-N 2.95Å; L945-Y948 VanDerWaalsContact O-N 3.07Å; Y946-Y948 VanDerWaalsContact C-N 3.28Å; Y946-Y948 PolarHBondContact O-N 2.97Å; Y948-I950 PolarHBondContact O-N 3.5Å; Y948-L962 HydrophobicContact CD2-CD2 3.71Å; Y948-L962 HydrophobicContact CE2-CD2 3.8Å; Y948-I965 HydrophobicContact CD1-CG2 3.94Å; Y948-I965 HydrophobicContact CD2-CD1 4.12Å; Y948-I965 HydrophobicContact CD2-CG2 4.3Å; Y948-I965 HydrophobicContact CE1-CG2 3.77Å; Y948-I965 HydrophobicContact CE2-CG2 4.15Å; Y948-I965 HydrophobicContact CG-CD1 4.18Å; Y948-I965 HydrophobicContact CG-CG2 4.21Å
949G82.4Confident82Confident70 Ų7084.5 Ų84.572%0.72241%0.414SS*.THydrogen-bonded Turntrans72.14-179.400000115.4L945 Y946 K947L945-G949 PolarHBondContact O-N 3.03Å; Y946-G949 PolarHBondContact O-N 3.16Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.3Å
950I83.5Confident82.4Confident47 Ų4787.5 Ų87.524%0.24142%0.416CS..PPolyproline II helixtrans-86.4133-172.4-58.9-177.8000111.1L945 Y948 L953 M961 I965L945-I950 CarbonylContact C-O 3.59Å; L945-I950 HydrophobicContact CB-CB 4.3Å; L945-I950 HydrophobicContact CD2-CB 4.13Å; L945-I950 HydrophobicContact CD2-CD1 4.36Å; L945-I950 HydrophobicContact CD2-CG2 4.08Å; L945-I950 PolarHBondContact O-N 3.06Å; Y948-I950 PolarHBondContact O-N 3.5Å; I950-L953 HydrophobicContact CG2-CD1 3.82Å; I950-M961 HydrophobicContact CD1-CG 3.71Å; I950-M961 HydrophobicContact CD1-SD 4.09Å; I950-I965 HydrophobicContact CD1-CD1 3.45Å; I950-I965 VanDerWaalsContact CD1-CD1 3.45Å; I950-I965 HydrophobicContact CD1-CG1 4.48Å
951K87.1Confident82.5Confident179 Ų17987.3 Ų87.378%0.77842%0.416SS*.PPolyproline II helixtrans-55.5138.1176.4-167.7172.9-173.9167.70110.9L953K951-L953 PolarHBondContact O-N 3.24Å; K951-L953 VanDerWaalsContact O-N 3.08Å
952P77.9Confident82.5Confident95 Ų9587.3 Ų87.362%0.61742%0.416SS*.PPolyproline II helixtrans-54.7116.2-178.219.2-33.9000112.9L942L942-P952 HydrophobicContact CD1-CB 4.38Å; L942-P952 HydrophobicContact CD2-CB 3.63Å; L942-P952 HydrophobicContact CG-CB 4.48Å
953L82.9Confident82.7Confident50 Ų5088.2 Ų88.226%0.26242%0.419SS..PPolyproline II helixtrans-100.5153.1178.7-73.5151.7000110.3L942 L945 I950 K951 R955 Q957 A958 M961L942-L953 WeakPolarHBondContact CD2-O 3.4Å; L945-L953 HydrophobicContact CD1-CB 3.89Å; L945-L953 HydrophobicContact CD1-CD1 4.04Å; L945-L953 HydrophobicContact CD1-CG 4.35Å; I950-L953 HydrophobicContact CG2-CD1 3.82Å; K951-L953 PolarHBondContact O-N 3.24Å; K951-L953 VanDerWaalsContact O-N 3.08Å; L953-R955 PolarHBondContact O-N 3.21Å; L953-Q957 HydrophobicContact CB-CB 4.17Å; L953-Q957 HydrophobicContact CD2-CB 4.27Å; L953-A958 HydrophobicContact CB-CB 4.06Å; L953-M961 HydrophobicContact CD1-CB 4.14Å; L953-M961 HydrophobicContact CD1-CE 4.48Å; L953-M961 HydrophobicContact CD1-CG 4.15Å
954K82.3Confident82.7Confident165 Ų16588.2 Ų88.272%0.71742%0.417SS*.PPolyproline II helixtrans-59.3136.8174.4-64.2-179.3178.7179.40109.9K956 Q957 A958K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 3.15Å; K954-Q957 WeakPolarHBondContact O-CA 3.31Å; K954-Q957 WeakPolarHBondContact O-CB 3.44Å; K954-Q957 PolarHBondContact O-N 2.9Å; K954-A958 PolarHBondContact O-N 2.79Å
955R79.3Confident82.8Confident79 Ų7987.6 Ų87.630%0.29842%0.415SS..Hα-helixtrans-30.4-53-174.5-167.9179.6175.387.44.7116.2A934 L936 E938 I941 L953 Q957 A958 V959A934-R955 PolarHBondContact O-NH2 3.16Å; L936-R955 PolarHBondContact O-NH1 2.91Å; L936-R955 PolarHBondContact O-NH2 3.4Å; E938-R955 HydrophobicContact CG-CB 4.41Å; E938-R955 WeakPolarHBondContact OE1-CB 3.41Å; E938-R955 PolarHBondContact OE1-N 3.04Å; I941-R955 HydrophobicContact CD1-CG 4.1Å; L953-R955 PolarHBondContact O-N 3.21Å; R955-Q957 VanDerWaalsContact C-N 3.35Å; R955-Q957 PolarHBondContact O-N 2.99Å; R955-A958 PolarHBondContact O-N 3.47Å; R955-V959 HydrophobicContact CG-CG2 4.47Å; R955-V959 VanDerWaalsContact O-CG2 3.32Å; R955-V959 WeakPolarHBondContact O-CG2 3.3Å; R955-V959 PolarHBondContact O-N 3.02Å
956K81Confident82.6Confident185 Ų18589.3 Ų89.380%0.80442%0.422SS*.Hα-helixtrans-64.9-30.9-178.2-66.6-173178.4-1770114.8K954K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 3.15Å
957Q82.5Confident82.4Confident111 Ų11187.1 Ų87.152%0.51942%0.418SS..Hα-helixtrans-82.3-38.3173.1-69.5170.7-49.900110.6L953 K954 R955 K960 M961L953-Q957 HydrophobicContact CB-CB 4.17Å; L953-Q957 HydrophobicContact CD2-CB 4.27Å; K954-Q957 WeakPolarHBondContact O-CA 3.31Å; K954-Q957 WeakPolarHBondContact O-CB 3.44Å; K954-Q957 PolarHBondContact O-N 2.9Å; R955-Q957 VanDerWaalsContact C-N 3.35Å; R955-Q957 PolarHBondContact O-N 2.99Å; Q957-K960 PolarHBondContact O-N 3.45Å; Q957-M961 WeakPolarHBondContact O-CB 3.49Å; Q957-M961 PolarHBondContact O-N 3.36Å
958A84.8Confident82Confident0 Ų085.3 Ų85.30%041%0.412CS..Hα-helixtrans-60.8-46.7176.600000112.5I941 L945 L953 K954 R955 K960 M961 L962I941-A958 HydrophobicContact CG2-CB 3.37Å; L945-A958 HydrophobicContact CD1-CB 3.5Å; L945-A958 VanDerWaalsContact CD1-CB 3.5Å; L945-A958 HydrophobicContact CG-CB 4.27Å; L953-A958 HydrophobicContact CB-CB 4.06Å; K954-A958 PolarHBondContact O-N 2.79Å; R955-A958 PolarHBondContact O-N 3.47Å; A958-K960 PolarHBondContact O-N 2.98Å; A958-M961 PolarHBondContact O-N 3.27Å; A958-M961 VanDerWaalsContact O-N 3.16Å; A958-L962 WeakPolarHBondContact O-CG 3.36Å; A958-L962 PolarHBondContact O-N 3.23Å
959V83.9Confident81.6Confident26 Ų2683.2 Ų83.216%0.15841%0.412CS..Hα-helixtrans-57.9-46.8174.6168.60000111.5F933 I941 R955 M961 L962 E963F933-V959 HydrophobicContact CB-CB 4.5Å; F933-V959 HydrophobicContact CB-CG1 4.05Å; F933-V959 HydrophobicContact CB-CG2 4.28Å; F933-V959 VanDerWaalsContact O-CG2 3.26Å; F933-V959 WeakPolarHBondContact O-CG2 3.1Å; I941-V959 HydrophobicContact CD1-CG2 3.89Å; R955-V959 HydrophobicContact CG-CG2 4.47Å; R955-V959 VanDerWaalsContact O-CG2 3.32Å; R955-V959 WeakPolarHBondContact O-CG2 3.3Å; R955-V959 PolarHBondContact O-N 3.02Å; V959-M961 VanDerWaalsContact C-N 3.31Å; V959-M961 PolarHBondContact O-N 2.89Å; V959-L962 PolarHBondContact O-N 3.08Å; V959-E963 VanDerWaalsContact O-CB 3.25Å; V959-E963 WeakPolarHBondContact O-CB 3.4Å; V959-E963 PolarHBondContact O-N 2.99Å
960K85.1Confident81Confident151 Ų15182.7 Ų82.766%0.65739%0.391SS*.Hα-helixtrans-63.7-35.2176.3-76.8-170170.8-159.70113.2Q957 A958 F964Q957-K960 PolarHBondContact O-N 3.45Å; A958-K960 PolarHBondContact O-N 2.98Å; K960-F964 VanDerWaalsContact O-CB 3.25Å; K960-F964 WeakPolarHBondContact O-CB 3.32Å; K960-F964 PolarHBondContact O-N 3.43Å
961M83.1Confident80.2Confident70 Ų7085 Ų8535%0.34541%0.409SS..Hα-helixtrans-72.1-43.6178.6-174.559.973.800111.2L945 I950 L953 Q957 A958 V959 F964 I965L945-M961 HydrophobicContact CD2-CB 4.11Å; L945-M961 HydrophobicContact CD2-CG 3.92Å; I950-M961 HydrophobicContact CD1-CG 3.71Å; I950-M961 HydrophobicContact CD1-SD 4.09Å; L953-M961 HydrophobicContact CD1-CB 4.14Å; L953-M961 HydrophobicContact CD1-CE 4.48Å; L953-M961 HydrophobicContact CD1-CG 4.15Å; Q957-M961 WeakPolarHBondContact O-CB 3.49Å; Q957-M961 PolarHBondContact O-N 3.36Å; A958-M961 PolarHBondContact O-N 3.27Å; A958-M961 VanDerWaalsContact O-N 3.16Å; V959-M961 VanDerWaalsContact C-N 3.31Å; V959-M961 PolarHBondContact O-N 2.89Å; M961-F964 PolarHBondContact O-N 3.07Å; M961-F964 HydrophobicContact SD-CD1 4.47Å; M961-I965 HydrophobicContact CG-CD1 4.01Å; M961-I965 VanDerWaalsContact O-CD1 3.32Å; M961-I965 WeakPolarHBondContact O-CD1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.21Å; M961-I965 PolarHBondContact O-N 3.27Å; M961-I965 HydrophobicContact SD-CD1 4.46Å
962L81.8Confident78.8Confident1 Ų183 Ų831%0.00541%0.406CS..Hα-helixtrans-64.6-40.4173.6-68.5172.2000112.2F933 I941 Q944 L945 Y948 A958 V959 I965 Y966F933-L962 HydrophobicContact CD1-CB 3.87Å; F933-L962 HydrophobicContact CD1-CD1 3.85Å; F933-L962 HydrophobicContact CD1-CG 4.47Å; F933-L962 HydrophobicContact CD2-CB 4.29Å; F933-L962 HydrophobicContact CE1-CB 3.9Å; F933-L962 HydrophobicContact CE1-CD1 4.24Å; F933-L962 HydrophobicContact CE2-CB 4.32Å; F933-L962 HydrophobicContact CG-CB 4.08Å; F933-L962 HydrophobicContact CZ-CB 4.13Å; I941-L962 HydrophobicContact CB-CD1 4.43Å; I941-L962 HydrophobicContact CG2-CD1 3.93Å; Q944-L962 HydrophobicContact CB-CD1 3.97Å; Q944-L962 HydrophobicContact CB-CD2 3.82Å; L945-L962 HydrophobicContact CD2-CD2 3.85Å; L945-L962 HydrophobicContact CD2-CG 3.89Å; L945-L962 HydrophobicContact CG-CD2 4.28Å; L945-L962 HydrophobicContact CG-CG 4.28Å; Y948-L962 HydrophobicContact CD2-CD2 3.71Å; Y948-L962 HydrophobicContact CE2-CD2 3.8Å; A958-L962 WeakPolarHBondContact O-CG 3.36Å; A958-L962 PolarHBondContact O-N 3.23Å; V959-L962 PolarHBondContact O-N 3.08Å; L962-I965 PolarHBondContact O-N 3.33Å; L962-Y966 VanDerWaalsContact O-CB 3.29Å; L962-Y966 WeakPolarHBondContact O-CB 3.41Å; L962-Y966 PolarHBondContact O-N 2.84Å
963E82.4Confident77.1Confident72 Ų7287 Ų8734%0.33642%0.418SS..Hα-helixtrans-63.8-40.1173177.9168.6-135.700112.1K930 V959 Y966 N967K930-E963 IonicContact NZ-OE1 3.91Å; K930-E963 PolarHBondContact NZ-OE1 3Å; V959-E963 VanDerWaalsContact O-CB 3.25Å; V959-E963 WeakPolarHBondContact O-CB 3.4Å; V959-E963 PolarHBondContact O-N 2.99Å; E963-Y966 PolarHBondContact O-N 2.92Å; E963-N967 WeakPolarHBondContact O-CB 3.44Å; E963-N967 PolarHBondContact O-N 2.91Å; E963-N967 PolarHBondContact O-ND2 2.83Å; E963-N967 PolarHBondContact O-OD1 3.42Å
964F82.4Confident75.2Confident114 Ų11493.7 Ų93.750%0.545%0.445SS..Hα-helixtrans-63.4-48.3173.6178.1-98.7000111.7K960 M961 Y966 N967 Q968K960-F964 VanDerWaalsContact O-CB 3.25Å; K960-F964 WeakPolarHBondContact O-CB 3.32Å; K960-F964 PolarHBondContact O-N 3.43Å; M961-F964 PolarHBondContact O-N 3.07Å; M961-F964 HydrophobicContact SD-CD1 4.47Å; F964-Y966 VanDerWaalsContact C-N 3.32Å; F964-Y966 PolarHBondContact O-N 3.05Å; F964-N967 PolarHBondContact O-N 3.49Å; F964-Q968 HydrophobicContact CD1-CG 4.21Å; F964-Q968 HydrophobicContact CD2-CG 4.43Å; F964-Q968 HydrophobicContact CE1-CG 3.89Å; F964-Q968 HydrophobicContact CE2-CG 4.13Å; F964-Q968 HydrophobicContact CG-CG 4.47Å; F964-Q968 HydrophobicContact CZ-CG 3.85Å; F964-Q968 VanDerWaalsContact O-CG 3.27Å; F964-Q968 WeakPolarHBondContact O-CG 3.33Å; F964-Q968 PolarHBondContact O-N 2.95Å
965I82.8Confident72.9Confident22 Ų2291.6 Ų91.611%0.11345%0.446CS..Hα-helixtrans-60.2-43.1176.4-66.7157.2000110.8Y948 I950 M961 L962 N967 Q968 T969Y948-I965 HydrophobicContact CD1-CG2 3.94Å; Y948-I965 HydrophobicContact CD2-CD1 4.12Å; Y948-I965 HydrophobicContact CD2-CG2 4.3Å; Y948-I965 HydrophobicContact CE1-CG2 3.77Å; Y948-I965 HydrophobicContact CE2-CG2 4.15Å; Y948-I965 HydrophobicContact CG-CD1 4.18Å; Y948-I965 HydrophobicContact CG-CG2 4.21Å; I950-I965 HydrophobicContact CD1-CD1 3.45Å; I950-I965 VanDerWaalsContact CD1-CD1 3.45Å; I950-I965 HydrophobicContact CD1-CG1 4.48Å; M961-I965 HydrophobicContact CG-CD1 4.01Å; M961-I965 VanDerWaalsContact O-CD1 3.32Å; M961-I965 WeakPolarHBondContact O-CD1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.21Å; M961-I965 PolarHBondContact O-N 3.27Å; M961-I965 HydrophobicContact SD-CD1 4.46Å; L962-I965 PolarHBondContact O-N 3.33Å; I965-N967 PolarHBondContact O-N 2.94Å; I965-Q968 PolarHBondContact O-N 2.97Å; I965-T969 HydrophobicContact CG2-CG2 4.07Å; I965-T969 WeakPolarHBondContact O-CB 3.45Å; I965-T969 WeakPolarHBondContact O-CG2 3.49Å; I965-T969 PolarHBondContact O-N 3.35Å; I965-T969 PolarHBondContact O-OG1 3.46Å
966Y81.3Confident70.8Confident35 Ų3593.6 Ų93.614%0.13748%0.48CS..Hα-helixtrans-57.7-50175.6-175.2-86.5000110.9K930 F933 L962 E963 F964 Q968 T969 H970K930-Y966 WeakPolarHBondContact CA-OH 3.46Å; K930-Y966 HydrophobicContact CB-CE1 4Å; K930-Y966 HydrophobicContact CD-CD1 4.38Å; K930-Y966 HydrophobicContact CD-CE1 4.24Å; K930-Y966 HydrophobicContact CG-CD1 4.19Å; K930-Y966 HydrophobicContact CG-CE1 3.88Å; F933-Y966 HydrophobicContact CE2-CD2 4.47Å; F933-Y966 HydrophobicContact CE2-CG 4.4Å; F933-Y966 HydrophobicContact CZ-CD2 4.38Å; L962-Y966 VanDerWaalsContact O-CB 3.29Å; L962-Y966 WeakPolarHBondContact O-CB 3.41Å; L962-Y966 PolarHBondContact O-N 2.84Å; E963-Y966 PolarHBondContact O-N 2.92Å; F964-Y966 VanDerWaalsContact C-N 3.32Å; F964-Y966 PolarHBondContact O-N 3.05Å; Y966-Q968 VanDerWaalsContact C-N 3.3Å; Y966-Q968 PolarHBondContact O-N 3.22Å; Y966-T969 PolarHBondContact O-N 3.32Å; Y966-T969 PolarHBondContact O-OG1 2.95Å; Y966-H970 WeakPolarHBondContact O-CB 3.48Å; Y966-H970 PolarHBondContact O-N 3.31Å; Y966-H970 PolarHBondContact O-ND1 3Å
967N79.3Confident68.7Low76 Ų7688.1 Ų88.141%0.40647%0.469SS..Hα-helixtrans-66-27.8179.9-62.3-18.7000113.6E963 F964 I965E963-N967 WeakPolarHBondContact O-CB 3.44Å; E963-N967 PolarHBondContact O-N 2.91Å; E963-N967 PolarHBondContact O-ND2 2.83Å; E963-N967 PolarHBondContact O-OD1 3.42Å; F964-N967 PolarHBondContact O-N 3.49Å; I965-N967 PolarHBondContact O-N 2.94Å
968Q76.3Confident66.7Low122 Ų12289.7 Ų89.757%0.5749%0.486SS*.Hα-helixtrans-83.7-36.4177-67.2-69.3-3.100112.8F964 I965 Y966F964-Q968 HydrophobicContact CD1-CG 4.21Å; F964-Q968 HydrophobicContact CD2-CG 4.43Å; F964-Q968 HydrophobicContact CE1-CG 3.89Å; F964-Q968 HydrophobicContact CE2-CG 4.13Å; F964-Q968 HydrophobicContact CG-CG 4.47Å; F964-Q968 HydrophobicContact CZ-CG 3.85Å; F964-Q968 VanDerWaalsContact O-CG 3.27Å; F964-Q968 WeakPolarHBondContact O-CG 3.33Å; F964-Q968 PolarHBondContact O-N 2.95Å; I965-Q968 PolarHBondContact O-N 2.97Å; Y966-Q968 VanDerWaalsContact C-N 3.3Å; Y966-Q968 PolarHBondContact O-N 3.22Å
969T72.6Confident64.4Low77 Ų7798.8 Ų98.847%0.47253%0.528SS..Hα-helixtrans-80.1-19.8177.552.40000113I965 Y966 P971I965-T969 HydrophobicContact CG2-CG2 4.07Å; I965-T969 WeakPolarHBondContact O-CB 3.45Å; I965-T969 WeakPolarHBondContact O-CG2 3.49Å; I965-T969 PolarHBondContact O-N 3.35Å; I965-T969 PolarHBondContact O-OG1 3.46Å; Y966-T969 PolarHBondContact O-N 3.32Å; Y966-T969 PolarHBondContact O-OG1 2.95Å; T969-P971 VanDerWaalsContact C-CD 3.43Å; T969-P971 WeakPolarHBondContact O-CD 3.3Å
970H69.1Low62Low59 Ų59104.3 Ų104.327%0.27356%0.557SS.*SBendtrans-123.869.2176-6071.4000109.3Y966 I972Y966-H970 WeakPolarHBondContact O-CB 3.48Å; Y966-H970 PolarHBondContact O-N 3.31Å; Y966-H970 PolarHBondContact O-ND1 3Å; H970-I972 PolarHBondContact O-N 3.29Å
971P67Low59.3Low96 Ų96104.4 Ų104.462%0.62356%0.564SS**  trans-63.1111.7179.626.5-33.9000109.9T969 M973T969-P971 VanDerWaalsContact C-CD 3.43Å; T969-P971 WeakPolarHBondContact O-CD 3.3Å; P971-M973 PolarHBondContact O-N 3.41Å
972I56.6Low56.9Low138 Ų138107 Ų10771%0.70859%0.586SS**  trans-73.796.7-177.4-56.5173.6000108.9H970 K974H970-I972 PolarHBondContact O-N 3.29Å; I972-K974 PolarHBondContact O-N 3.37Å
973M43.3Very low54.9Low177 Ų177111.7 Ų111.787%0.87263%0.625SS**  trans-61.3102.4165.4-70.3-175.874.400109P971 T975P971-M973 PolarHBondContact O-N 3.41Å; M973-T975 PolarHBondContact O-N 3.17Å
974K42.7Very low52.2Low192 Ų192119.7 Ų119.784%0.83565%0.652SS**  trans-74.1106.1168.6-67.2-178.2-179.9179.60108.1I972 A976I972-K974 PolarHBondContact O-N 3.37Å; K974-A976 PolarHBondContact O-N 3.47Å
975T32.8Very low49.5Very low120 Ų120118.5 Ų118.574%0.73666%0.658SS**  trans-50.9137.4163.647.20000109.6M973 A977M973-T975 PolarHBondContact O-N 3.17Å; T975-A977 PolarHBondContact O-N 2.86Å
976A35.7Very low47.3Very low122 Ų122125.8 Ų125.8100%1.00869%0.691SS**SBendtrans-73.829.8-172.600000115K974K974-A976 PolarHBondContact O-N 3.47Å
977A37.4Very low45Very low69 Ų69130.1 Ų130.157%0.5772%0.724SS**  trans-116.4148.417100000109.4T975T975-A977 PolarHBondContact O-N 2.86Å
978V39.7Very low42.5Very low144 Ų144133.3 Ų133.387%0.87374%0.739SS**  trans71.269.9-173.7-1620000114.2
979Q38Very low40.2Very low191 Ų191133 Ų13389%0.89375%0.745SS**  trans-128.1109.5134.4-78.7-168.689.500108.5
980D31.7Very low37.9Very low143 Ų143139.5 Ų139.577%0.76576%0.761SS**  trans-166.8117144.7-110.6-25.9000113.2
981L29.7Very low35.9Very low152 Ų152141.5 Ų141.580%0.79678%0.782SS**  trans64.6170.4155.5-49.6179000118.3
982P33.3Very low34.1Very low125 Ų125146.7 Ų146.781%0.81280%0.795SS**  -131.8178.7-69.939.7-25000114.2
983A38.1Very low32.7Very low100 Ų100145.9 Ų145.983%0.82680%0.802SS**  trans-94139.9-167.800000117.1
984R25.6Very low31.8Very low240 Ų240143.7 Ų143.791%0.90680%0.798SS**  trans-171.2159.4160.8-105.2-164.8157.6150.7-3109.3
985S27.2Very low31.7Very low88 Ų88139.7 Ų139.762%0.61579%0.792SS**  cis-174.5145.4-31.546.70000108.8
986E35.5Very low31.2Very low176 Ų176139.4 Ų139.482%0.82279%0.79SS**PPolyproline II helixtrans-62.3144.9173.3-65.7-173.8163.100113.3
987P33Very low30.7Very low125 Ų125139.9 Ų139.981%0.81277%0.774SS**PPolyproline II helixtrans-101.9135.4153.234.2-27.4000112
988I27.8Very low30.1Very low144 Ų144144 Ų14474%0.73878%0.783SS**PPolyproline II helixtrans-95.7166-178.1-56.1155.2000109.3
989V27Very low29.4Very low115 Ų115142.2 Ų142.270%0.69777%0.765SS**  trans156.3104.6131.4164.40000116
990R24.4Very low28.9Very low213 Ų213142.6 Ų142.680%0.80476%0.758SS**  trans67.9106.6132.2-66.1-173.6173.4139.2-3.1125.2
991S27.5Very low29.1Very low102 Ų102140 Ų14071%0.71375%0.75SS**  89.6144.599.5-58.60000123.8
992K28.8Very low28.8Very low204 Ų204141.3 Ų141.389%0.88775%0.751SS**  trans76.5101.7159.9-51.5-168.3-172.7-179.70118.5
993S26.7Very low28.6Very low122 Ų122140.7 Ų140.785%0.85375%0.75SS**  -177.2149.499.857.50000113.6
994T24.8Very low28Very low131 Ų131144.6 Ų144.680%0.80475%0.751SS**  trans-107.8171.3159.8180000107.8
995P40.3Very low28.1Very low107 Ų107139.5 Ų139.570%0.69575%0.746SS**  cis-136.9-151.2-15.931.2-6.9000111.9
996V23.1Very low27.9Very low114 Ų114139 Ų13969%0.69175%0.748SS**  trans89.5102.9138.1150.80000120.1
997I24.8Very low27.5Very low133 Ų133140.1 Ų140.168%0.68275%0.75SS**  76.1126.6120.6-69.5179.1000121
998M24.8Very low27.1Very low155 Ų155139.3 Ų139.376%0.76475%0.747SS**  trans75.1155.2153.1-74173.514700119.4
999E24.4Very low27.1Very low106 Ų106139 Ų13950%0.49575%0.753SS.*  cis-150.5146.41.8-135.8-174.8-153.200116.1
1000R27.6Very low27Very low199 Ų199138.9 Ų138.975%0.75176%0.757SS**  trans59.6-174.1142.9-87178.1-158146.7-2.2117.2
1001P36.5Very low27.2Very low89 Ų89138.4 Ų138.458%0.57876%0.76SS**  -136.5-162.9-83.342.5-22.3000113.4
1002H23.5Very low27Very low179 Ų179139.5 Ų139.583%0.82976%0.763SS**  trans69.4155.5164.3-64-9.5000115.5
1003S28.3Very low26.9Very low113 Ų113138.3 Ų138.379%0.7977%0.765SS**  cis-153.6170.5-15.940.60000111.2
1004Q27.5Very low27.3Very low182 Ų182141.7 Ų141.785%0.8576%0.764SS**  trans-56.3153.5173.3-56.8160.6-12.700113.9
1005V26.8Very low27.4Very low132 Ų132140 Ų14080%0.876%0.764SS**  trans171.1108.7130.3151.70000105.7
1006A23.8Very low27Very low79 Ų79142.4 Ų142.465%0.65377%0.769SS**  85.7141.351.200000113.9
1007K26.8Very low27.3Very low199 Ų199140.5 Ų140.587%0.86577%0.772SS**  trans78.4151.4-177.5-51.4171-173.5175.60115.3
1008S24.3Very low27.7Very low108 Ų108140.3 Ų140.376%0.75578%0.778SS**  cis-163.2152.6-26.648.90000111.8
1009T26.6Very low28.4Very low138 Ų138140.6 Ų140.685%0.84778%0.775SS**  trans-53.1135.4174.149.80000116.8
1010S25.7Very low29.2Very low112 Ų112144 Ų14478%0.78379%0.788SS**  trans-162.794.2144.758.70000115.2
1011K28.5Very low29.9Very low203 Ų203141.1 Ų141.188%0.88379%0.788SS**  trans34.6104.3141.7-60.3179-179.8178.80120.8
1012T23.6Very low30.9Very low125 Ų125141 Ų14177%0.76778%0.781SS**  1.5136.1126.1-47.10000119.7
1013L27.7Very low32.9Very low178 Ų178137.9 Ų137.993%0.93278%0.775SS**  trans-121.4167.3141.9-79.6176.6000110.2
1014K34.2Very low35Very low193 Ų193134.1 Ų134.184%0.83975%0.745SS**  trans-106.7148.8-173.1-60.9178.6179.7179.40112.9
1015A25.8Very low36.9Very low95 Ų95130.1 Ų130.179%0.78573%0.729SS**  trans-136.5116.4137.200000105.1
1016I32.3Very low38.8Very low158 Ų158127.9 Ų127.981%0.8171%0.713SS**  66119.568.9-59.4177.9000110.9
1017G29.4Very low40.5Very low74 Ų74125.8 Ų125.876%0.76370%0.695SS**  trans16451.4-166.100000108.4K1019G1017-K1019 PolarHBondContact O-N 3.38Å
1018T33.5Very low41.9Very low129 Ų129120 Ų12079%0.79168%0.677SS**  trans-68.2125.1-177.640.60000109.8
1019K40.7Very low43.4Very low161 Ų161117.2 Ų117.270%0.767%0.666SS**  trans-57.3142.3159.6-62.8-178.9177.5-175.80108G1017 D1021G1017-K1019 PolarHBondContact O-N 3.38Å; K1019-D1021 PolarHBondContact O-N 3.33Å
1020K40.4Very low44.9Very low177 Ų177117.1 Ų117.177%0.7766%0.656SS**  trans-74.2110163.4-64.4179.7-178177.60106.5L1022K1020-L1022 PolarHBondContact O-N 2.93Å
1021D41.8Very low46.4Very low140 Ų140115 Ų11575%0.74963%0.633SS**  trans-70.6122.6162.3-62.9-36.8000106.3K1019 T1023K1019-D1021 PolarHBondContact O-N 3.33Å; D1021-T1023 PolarHBondContact O-N 3.15Å
1022L57.9Low48Very low85 Ų85107.8 Ų107.845%0.44560%0.604SS.*  trans-68.3107179.7-86.680.3000109.4K1020 F1024K1020-L1022 PolarHBondContact O-N 2.93Å; L1022-F1024 PolarHBondContact O-N 3.4Å
1023T66Low49.6Very low114 Ų114107 Ų10770%0.69960%0.595SS**  trans-77.6103.4164.5510000108.2D1021 N1025D1021-T1023 PolarHBondContact O-N 3.15Å; T1023-N1025 PolarHBondContact O-N 3.16Å
1024F72.1Confident51Low34 Ų34105.2 Ų105.215%0.14958%0.576CS.*PPolyproline II helixtrans-66.4131.6168.7-55-74.9000109.6L1022 L1074 N1078 L1081 A1095 V1096 H1099L1022-F1024 PolarHBondContact O-N 3.4Å; F1024-L1074 HydrophobicContact CB-CD1 4.5Å; F1024-L1074 HydrophobicContact CD1-CD1 4.1Å; F1024-N1078 VanDerWaalsContact CA-OD1 3.31Å; F1024-N1078 WeakPolarHBondContact CA-OD1 3.35Å; F1024-L1081 HydrophobicContact CD1-CD1 4.41Å; F1024-L1081 HydrophobicContact CE1-CD1 3.72Å; F1024-A1095 HydrophobicContact CE2-CB 3.73Å; F1024-A1095 HydrophobicContact CZ-CB 4.01Å; F1024-V1096 HydrophobicContact CE1-CG2 4.12Å; F1024-V1096 HydrophobicContact CZ-CG2 3.77Å; F1024-H1099 HydrophobicContact CB-CB 4.42Å; F1024-H1099 WeakPolarHBondContact CB-ND1 3.26Å; F1024-H1099 HydrophobicContact CD2-CB 3.54Å; F1024-H1099 AromaticContact CD2-CG 3.76Å; F1024-H1099 HydrophobicContact CE2-CB 4.02Å; F1024-H1099 HydrophobicContact CG-CB 4.14Å; F1024-H1099 AromaticContact CG-CG 3.86Å
1025N67.7Low51.7Low99 Ų99100 Ų10053%0.52955%0.553SS.*PPolyproline II helixtrans-89.2143.3168.8-63.2-28.5000109.8T1023 N1078T1023-N1025 PolarHBondContact O-N 3.16Å; N1025-N1078 PolarHBondContact N-OD1 3.25Å; N1025-N1078 PolarHBondContact O-ND2 3.31Å; N1025-N1078 VanDerWaalsContact O-ND2 3.1Å
1026D64.9Low53.1Low84 Ų8499.2 Ų99.245%0.44954%0.541SS..PPolyproline II helixtrans-76.2137170.1-57.4-25.7000109T1028 H1099 M1103D1026-T1028 PolarHBondContact O-N 3.47Å; D1026-H1099 IonicContact OD1-CE1 2.72Å; D1026-H1099 PolarHBondContact OD1-CE1 2.87Å; D1026-H1099 VanDerWaalsContact OD1-CE1 3.23Å; D1026-H1099 IonicContact OD1-ND1 3.73Å; D1026-M1103 HydrophobicContact CB-CE 3.92Å; D1026-M1103 HydrophobicContact CB-SD 4.3Å; D1026-M1103 VanDerWaalsContact OD1-SD 3.33Å
1027A59.8Low54.1Low35 Ų3599.5 Ų99.529%0.28954%0.54SS..PPolyproline II helixtrans-66.2125.2-176.100000112.1L1032 A1077A1027-L1032 HydrophobicContact CB-CD1 3.94Å; A1027-L1032 HydrophobicContact CB-CD2 3.9Å; A1027-L1032 HydrophobicContact CB-CG 3.91Å; A1027-A1077 HydrophobicContact CB-CB 3.7Å
1028T56.8Low54.9Low77 Ų7799.8 Ų99.847%0.47253%0.53SS..PPolyproline II helixtrans-79148166.870.60000110.5D1026 E1030 E1031 L1032D1026-T1028 PolarHBondContact O-N 3.47Å; T1028-E1030 PolarHBondContact O-N 2.93Å; T1028-E1031 WeakPolarHBondContact CB-OE2 3.37Å; T1028-E1031 PolarHBondContact N-OE2 3.15Å; T1028-E1031 PolarHBondContact O-N 2.78Å; T1028-E1031 VanDerWaalsContact OG1-CD 3.23Å; T1028-E1031 VanDerWaalsContact OG1-CG 3.32Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.48Å; T1028-E1031 PolarHBondContact OG1-OE2 2.84Å; T1028-L1032 PolarHBondContact O-N 3.41Å
1029G56.5Low55.5Low51 Ų5198.1 Ų98.153%0.52652%0.516SS..Hα-helixtrans-60.6-31.8-175.600000113.8L1033G1029-L1033 WeakPolarHBondContact O-CG 3.32Å; G1029-L1033 PolarHBondContact O-N 3.08Å
1030E56.6Low55.4Low136 Ų13693.6 Ų93.664%0.63651%0.508SS*.Hα-helixtrans-68.7-36.7178.2-161.7-164.4127.500112.5T1028 L1033 R1034T1028-E1030 PolarHBondContact O-N 2.93Å; E1030-L1033 PolarHBondContact O-N 3.27Å; E1030-R1034 PolarHBondContact O-N 3.02Å; E1030-R1034 IonicContact OE1-NH2 2.69Å; E1030-R1034 PolarHBondContact OE1-NH2 3.41Å
1031E57.6Low55.6Low66 Ų6690.8 Ų90.831%0.30851%0.508SS..Hα-helixtrans-70-39.3178.9-69.5168.5129.800111.7T1028 L1033 R1034 F1035T1028-E1031 WeakPolarHBondContact CB-OE2 3.37Å; T1028-E1031 PolarHBondContact N-OE2 3.15Å; T1028-E1031 PolarHBondContact O-N 2.78Å; T1028-E1031 VanDerWaalsContact OG1-CD 3.23Å; T1028-E1031 VanDerWaalsContact OG1-CG 3.32Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.48Å; T1028-E1031 PolarHBondContact OG1-OE2 2.84Å; E1031-L1033 PolarHBondContact O-N 3.43Å; E1031-R1034 WeakPolarHBondContact O-CB 3.48Å; E1031-R1034 PolarHBondContact O-N 2.98Å; E1031-F1035 VanDerWaalsContact O-CD2 3.26Å; E1031-F1035 WeakPolarHBondContact O-CD2 3.45Å; E1031-F1035 PolarHBondContact O-N 3.4Å
1032L61.8Low55.5Low52 Ų5289 Ų8927%0.27251%0.507SS..Hα-helixtrans-62.7-42.3175.4-65.5176000111.8A1027 T1028 R1034 F1035 S1036 N1073 C1076A1027-L1032 HydrophobicContact CB-CD1 3.94Å; A1027-L1032 HydrophobicContact CB-CD2 3.9Å; A1027-L1032 HydrophobicContact CB-CG 3.91Å; T1028-L1032 PolarHBondContact O-N 3.41Å; L1032-R1034 PolarHBondContact O-N 3.28Å; L1032-F1035 PolarHBondContact O-N 2.89Å; L1032-S1036 PolarHBondContact O-N 3.07Å; L1032-S1036 VanDerWaalsContact O-N 3.08Å; L1032-N1073 HydrophobicContact CD2-CB 3.9Å; L1032-C1076 HydrophobicContact CD2-CB 4.36Å
1033L57.8Low54.9Low110 Ų11090.3 Ų90.358%0.57651%0.513SS*.Hα-helixtrans-66.8-22.6177.5-71.9170.3000113.6G1029 E1030 E1031 S1036 Q1037G1029-L1033 WeakPolarHBondContact O-CG 3.32Å; G1029-L1033 PolarHBondContact O-N 3.08Å; E1030-L1033 PolarHBondContact O-N 3.27Å; E1031-L1033 PolarHBondContact O-N 3.43Å; L1033-S1036 PolarHBondContact O-OG 3.47Å; L1033-Q1037 PolarHBondContact O-NE2 3.36Å
1034R57.2Low53.8Low140 Ų14089 Ų8953%0.52851%0.508SS..Hα-helixtrans-72.7-38.1175.9-164.1177.3-63.8142.83111.9E1030 E1031 L1032E1030-R1034 PolarHBondContact O-N 3.02Å; E1030-R1034 IonicContact OE1-NH2 2.69Å; E1030-R1034 PolarHBondContact OE1-NH2 3.41Å; E1031-R1034 WeakPolarHBondContact O-CB 3.48Å; E1031-R1034 PolarHBondContact O-N 2.98Å; L1032-R1034 PolarHBondContact O-N 3.28Å
1035F50.2Low52.4Low84 Ų8492.1 Ų92.137%0.36853%0.526SS..Hα-helixtrans-86.9-27.1179.5-67.5-69.6000113.8E1031 L1032 Q1037 S1038 C1076E1031-F1035 VanDerWaalsContact O-CD2 3.26Å; E1031-F1035 WeakPolarHBondContact O-CD2 3.45Å; E1031-F1035 PolarHBondContact O-N 3.4Å; L1032-F1035 PolarHBondContact O-N 2.89Å; F1035-Q1037 PolarHBondContact O-N 3.08Å; F1035-Q1037 VanDerWaalsContact O-N 3.14Å; F1035-S1038 PolarHBondContact O-N 3.16Å; F1035-S1038 PolarHBondContact O-OG 2.91Å; F1035-S1038 VanDerWaalsContact O-OG 3.06Å; F1035-C1076 HydrophobicContact CD2-CB 3.7Å; F1035-C1076 HydrophobicContact CE2-CB 4.12Å; F1035-C1076 HydrophobicContact CG-CB 4.35Å
1036S55.1Low51.4Low77 Ų7795 Ų9554%0.53854%0.542SS..THydrogen-bonded Turntrans-66.9-12.4178.967.80000114.4L1032 L1033L1032-S1036 PolarHBondContact O-N 3.07Å; L1032-S1036 VanDerWaalsContact O-N 3.08Å; L1033-S1036 PolarHBondContact O-OG 3.47Å
1037Q51.8Low50.6Low165 Ų16598.3 Ų98.377%0.77155%0.552SS**THydrogen-bonded Turntrans-98.4-12.6178.1-66.8176.568.400113.3L1033 F1035L1033-Q1037 PolarHBondContact O-NE2 3.36Å; F1035-Q1037 PolarHBondContact O-N 3.08Å; F1035-Q1037 VanDerWaalsContact O-N 3.14Å
1038S45.9Very low50.4Low80 Ų8097.9 Ų97.956%0.55954%0.544SS*.SBendtrans-104.5-2.1-171.259.30000115.2F1035F1035-S1038 PolarHBondContact O-N 3.16Å; F1035-S1038 PolarHBondContact O-OG 2.91Å; F1035-S1038 VanDerWaalsContact O-OG 3.06Å
1039L47.5Very low50.3Low94 Ų9498.1 Ų98.149%0.49255%0.546SS..  trans-123.1127.6-177.4-68.9175.4000111.5L1043L1039-L1043 HydrophobicContact CD2-CD1 4.18Å
1040A38.1Very low50.7Low66 Ų66102.4 Ų102.455%0.54555%0.55SS.*  trans-68.4149.8168.300000110.3S1042A1040-S1042 PolarHBondContact O-N 2.82Å
1041P44.6Very low51.5Low117 Ų11797 Ų9776%0.7653%0.526SS*.G310 helixtrans-59.8-5.2179.4-27.136.1000116.4L1043 C1044P1041-L1043 PolarHBondContact O-N 3.47Å; P1041-L1043 VanDerWaalsContact O-N 3.07Å; P1041-C1044 WeakPolarHBondContact O-CB 3.46Å; P1041-C1044 PolarHBondContact O-N 2.91Å; P1041-C1044 VanDerWaalsContact O-N 3.15Å
1042S40Very low52.4Low104 Ų10498.7 Ų98.773%0.72754%0.536SS*.G310 helixtrans-72.18.7-175.757.90000115.9A1040A1040-S1042 PolarHBondContact O-N 2.82Å
1043L44.3Very low53.2Low111 Ų11197 Ų9758%0.58153%0.526SS*.G310 helixtrans-99.9-8.4168.4-77.1173.1000113.5L1039 P1041 D1045L1039-L1043 HydrophobicContact CD2-CD1 4.18Å; P1041-L1043 PolarHBondContact O-N 3.47Å; P1041-L1043 VanDerWaalsContact O-N 3.07Å; L1043-D1045 PolarHBondContact O-N 3.34Å
1044C44Very low53.8Low87 Ų8793.7 Ų93.759%0.58851%0.511SS*.SBendtrans-77.499.8162.2-660000108P1041P1041-C1044 WeakPolarHBondContact O-CB 3.46Å; P1041-C1044 PolarHBondContact O-N 2.91Å; P1041-C1044 VanDerWaalsContact O-N 3.15Å
1045D43Very low54Low99 Ų9992.7 Ų92.753%0.52952%0.516SS..  trans-69.7133.2172.4-178.512.1000109L1043 F1047 E1048L1043-D1045 PolarHBondContact O-N 3.34Å; D1045-F1047 PolarHBondContact O-N 3.47Å; D1045-E1048 HydrophobicContact CB-CG 4.17Å; D1045-E1048 PolarHBondContact O-N 2.65Å
1046D46.8Very low54.9Low161 Ų16192.2 Ų92.286%0.86152%0.52SS*.THydrogen-bonded Turntrans-59.1-11.2-174.6-84.7-39.3000113.3
1047F46.7Very low55.2Low152 Ų15292.4 Ų92.467%0.66752%0.518SS*.THydrogen-bonded Turntrans-107.18.5-179.8-57.9-79000114.5D1045 T1049D1045-F1047 PolarHBondContact O-N 3.47Å; F1047-T1049 PolarHBondContact O-N 3.41Å
1048E56.9Low55.5Low27 Ų2795.1 Ų95.113%0.12653%0.527CS..  trans-58.3105.9175.3-77.4-153.6-113.400111.5D1045 F1050 H1068 R1119D1045-E1048 HydrophobicContact CB-CG 4.17Å; D1045-E1048 PolarHBondContact O-N 2.65Å; E1048-F1050 WeakPolarHBondContact O-CD2 3.45Å; E1048-F1050 WeakPolarHBondContact O-CE2 3.13Å; E1048-F1050 PolarHBondContact O-N 2.92Å; E1048-H1068 WeakPolarHBondContact OE2-CB 3.27Å; E1048-H1068 IonicContact OE2-CG 2.89Å; E1048-R1119 IonicContact OE1-CZ 2.69Å; E1048-R1119 IonicContact OE1-NH2 2.65Å; E1048-R1119 PolarHBondContact OE1-NH2 3.43Å; E1048-R1119 IonicContact OE2-CZ 2.96Å; E1048-R1119 IonicContact OE2-NE 3.84Å; E1048-R1119 IonicContact OE2-NH2 3.62Å; E1048-R1119 PolarHBondContact OE2-NH2 3.12Å
1049T54.9Low56.2Low82 Ų82100.7 Ų100.750%0.50354%0.541SS..  trans-68.3110.6179.7-55.40000108.5F1047 V1051 R1118F1047-T1049 PolarHBondContact O-N 3.41Å; T1049-V1051 VanDerWaalsContact C-N 3.26Å; T1049-V1051 PolarHBondContact O-N 2.87Å; T1049-R1118 PolarHBondContact OG1-NH1 3.31Å; T1049-R1118 PolarHBondContact OG1-NH2 3.43Å
1050F63.4Low57Low141 Ų14197.2 Ų97.262%0.61852%0.524SS*.  trans-63.279.2-177.9-68.7-96.6000112.2E1048 M1052 H1068E1048-F1050 WeakPolarHBondContact O-CD2 3.45Å; E1048-F1050 WeakPolarHBondContact O-CE2 3.13Å; E1048-F1050 PolarHBondContact O-N 2.92Å; F1050-M1052 PolarHBondContact O-N 3.38Å; F1050-H1068 AromaticContact CD1-CE1 3.64Å; F1050-H1068 AromaticContact CE1-CE1 3.64Å
1051V73.9Confident57.9Low21 Ų2197.9 Ų97.913%0.12752%0.523CS..  trans-67.499.5170.4175.40000108T1049 L1067 Y1107 D1111T1049-V1051 VanDerWaalsContact C-N 3.26Å; T1049-V1051 PolarHBondContact O-N 2.87Å; V1051-L1067 HydrophobicContact CB-CB 3.82Å; V1051-L1067 HydrophobicContact CB-CD2 4.06Å; V1051-L1067 HydrophobicContact CG1-CB 3.92Å; V1051-L1067 HydrophobicContact CG1-CD2 3.83Å; V1051-L1067 HydrophobicContact CG2-CD2 4.47Å; V1051-L1067 WeakPolarHBondContact O-CB 3.47Å; V1051-L1067 PolarHBondContact O-N 3.39Å; V1051-Y1107 HydrophobicContact CG1-CD1 4.09Å; V1051-D1111 HydrophobicContact CB-CB 4.41Å; V1051-D1111 HydrophobicContact CG1-CB 3.54Å; V1051-D1111 HydrophobicContact CG2-CB 3.92Å
1052M77.2Confident58.6Low103 Ų103100.3 Ų100.351%0.50752%0.524SS..PPolyproline II helixtrans-81.1169.1173.3-66.7-164.875.800111.4F1050 L1064F1050-M1052 PolarHBondContact O-N 3.38Å; M1052-L1064 HydrophobicContact CE-CB 4.05Å; M1052-L1064 HydrophobicContact CE-CD1 4.29Å
1053Q78.3Confident59.9Low16 Ų16100.7 Ų100.78%0.07552%0.524CS..PPolyproline II helixtrans-69.2134.9178.7-62-178.21800111.8L1064 V1065 H1105 R1106 Y1107Q1053-L1064 HydrophobicContact CB-CD2 4.12Å; Q1053-V1065 WeakPolarHBondContact CG-O 3.14Å; Q1053-V1065 PolarHBondContact NE2-O 3.46Å; Q1053-H1105 PolarHBondContact NE2-ND1 2.79Å; Q1053-R1106 CarbonylContact C-O 3.43Å; Q1053-R1106 VanDerWaalsContact C-O 3.31Å; Q1053-R1106 WeakPolarHBondContact CA-O 3.28Å; Q1053-R1106 VanDerWaalsContact CB-O 3.25Å; Q1053-R1106 WeakPolarHBondContact CB-O 3.45Å; Q1053-Y1107 HydrophobicContact CB-CE1 4.38Å; Q1053-Y1107 HydrophobicContact CG-CD1 4.21Å; Q1053-Y1107 HydrophobicContact CG-CE1 3.52Å
1054T69.6Low61.3Low41 Ų4198 Ų9825%0.25251%0.509SS..SBendtrans-92.1148.4176.768.80000110.8R1106 D1108T1054-R1106 PolarHBondContact N-O 3.39Å; T1054-R1106 WeakPolarHBondContact O-CB 3.41Å; T1054-D1108 HydrophobicContact CG2-CB 4.23Å
1055N62Low63Low118 Ų11895.1 Ų95.163%0.63149%0.489SS*.SBendtrans60.946.7-177.7-49.5-91.5000113T1057N1055-T1057 PolarHBondContact O-N 3.36Å
1056V68.1Low64.9Low75 Ų7591.6 Ų91.646%0.45547%0.472SS..  trans-55.2132.7164.7-173.10000109.1L1064V1056-L1064 HydrophobicContact CB-CD2 4.48Å; V1056-L1064 HydrophobicContact CG1-CD1 4.29Å; V1056-L1064 HydrophobicContact CG1-CD2 4.07Å; V1056-L1064 HydrophobicContact CG2-CD1 4.16Å; V1056-L1064 HydrophobicContact CG2-CD2 3.63Å
1057T62.5Low66.7Low81 Ų8184 Ų8450%0.49743%0.431SS..  trans-137.5169.7179.461.90000110.4N1055 K1059 T1060N1055-T1057 PolarHBondContact O-N 3.36Å; T1057-K1059 PolarHBondContact O-N 2.9Å; T1057-K1059 PolarHBondContact OG1-N 3.26Å; T1057-T1060 PolarHBondContact N-OG1 2.81Å; T1057-T1060 PolarHBondContact O-N 3.44Å; T1057-T1060 VanDerWaalsContact O-N 3.09Å; T1057-T1060 PolarHBondContact O-OG1 3.39Å
1058K58.6Low68.3Low221 Ų22178.2 Ų78.296%0.96141%0.406SS*.THydrogen-bonded Turntrans-63.48.6172-58.8-168.7177-168.10114.7
1059K60.8Low69.6Low197 Ų19780.4 Ų80.486%0.85742%0.418SS*.THydrogen-bonded Turntrans-128.71.8176.3-61.5-167.5178-1680113.8T1057T1057-K1059 PolarHBondContact O-N 2.9Å; T1057-K1059 PolarHBondContact OG1-N 3.26Å
1060T64.1Low70.9Confident21 Ų2176.8 Ų76.813%0.12940%0.396CS..SBendtrans-82.4128.9168.1430000108.4T1057T1057-T1060 PolarHBondContact N-OG1 2.81Å; T1057-T1060 PolarHBondContact O-N 3.44Å; T1057-T1060 VanDerWaalsContact O-N 3.09Å; T1057-T1060 PolarHBondContact O-OG1 3.39Å
1061P57Low72Confident81 Ų8170.6 Ų70.653%0.52637%0.369SS..PPolyproline II helixtrans-61.2149.4176.727.5-34.5000110.5
1062Q58.4Low72.4Confident168 Ų16873.2 Ų73.279%0.78538%0.38SS*.SBendtrans-103.8148.4167.9-62.5-175.410.800107.8
1063P66.8Low72.7Confident112 Ų11270.7 Ų70.773%0.72737%0.368SS*.SBendcis-76.61586.531.7-36.8000115V1065P1063-V1065 PolarHBondContact O-N 3.14Å
1064L73.7Confident73Confident53 Ų5370.3 Ų70.328%0.27737%0.367SS..  trans-79.796.8175.7-75.5164000110.8M1052 Q1053 V1056 P1066M1052-L1064 HydrophobicContact CE-CB 4.05Å; M1052-L1064 HydrophobicContact CE-CD1 4.29Å; Q1053-L1064 HydrophobicContact CB-CD2 4.12Å; V1056-L1064 HydrophobicContact CB-CD2 4.48Å; V1056-L1064 HydrophobicContact CG1-CD1 4.29Å; V1056-L1064 HydrophobicContact CG1-CD2 4.07Å; V1056-L1064 HydrophobicContact CG2-CD1 4.16Å; V1056-L1064 HydrophobicContact CG2-CD2 3.63Å; L1064-P1066 WeakPolarHBondContact O-CD 3.49Å
1065V79.9Confident73.7Confident27 Ų2769.9 Ų69.916%0.16436%0.362CS..  trans-70121.3-178.2-1720000111.3Q1053 P1063 I1069 A1070 Y1107Q1053-V1065 WeakPolarHBondContact CG-O 3.14Å; Q1053-V1065 PolarHBondContact NE2-O 3.46Å; P1063-V1065 PolarHBondContact O-N 3.14Å; V1065-I1069 HydrophobicContact CG1-CB 3.87Å; V1065-I1069 HydrophobicContact CG1-CG2 3.99Å; V1065-A1070 HydrophobicContact CG1-CB 3.95Å; V1065-Y1107 PolarHBondContact O-OH 3.32Å
1066P84.1Confident74.5Confident25 Ų2565 Ų6516%0.16234%0.338CS..  trans-63.6152.7171.9-2032.7000112.4L1064 H1068 I1069 A1070L1064-P1066 WeakPolarHBondContact O-CD 3.49Å; P1066-H1068 VanDerWaalsContact C-N 3.32Å; P1066-H1068 PolarHBondContact O-N 2.85Å; P1066-I1069 HydrophobicContact CB-CG1 4.46Å; P1066-I1069 HydrophobicContact CG-CD1 4.2Å; P1066-I1069 HydrophobicContact CG-CG1 4.41Å; P1066-I1069 PolarHBondContact O-N 2.85Å; P1066-I1069 VanDerWaalsContact O-N 3.15Å; P1066-A1070 PolarHBondContact O-N 3.42Å
1067L83.8Confident75.1Confident1 Ų161.8 Ų61.81%0.00532%0.319CS..Hα-helixtrans-57.9-39.5-175.5178.758.9000113.5V1051 I1069 A1070 W1071 L1100 Y1107 L1112 F1115V1051-L1067 HydrophobicContact CB-CB 3.82Å; V1051-L1067 HydrophobicContact CB-CD2 4.06Å; V1051-L1067 HydrophobicContact CG1-CB 3.92Å; V1051-L1067 HydrophobicContact CG1-CD2 3.83Å; V1051-L1067 HydrophobicContact CG2-CD2 4.47Å; V1051-L1067 WeakPolarHBondContact O-CB 3.47Å; V1051-L1067 PolarHBondContact O-N 3.39Å; L1067-I1069 VanDerWaalsContact C-N 3.35Å; L1067-I1069 PolarHBondContact O-N 3.44Å; L1067-A1070 PolarHBondContact O-N 3.14Å; L1067-W1071 WeakPolarHBondContact O-CB 3.39Å; L1067-W1071 PolarHBondContact O-N 2.95Å; L1067-L1100 HydrophobicContact CD1-CD1 4.44Å; L1067-Y1107 HydrophobicContact CB-CD1 4.02Å; L1067-Y1107 HydrophobicContact CB-CE1 3.84Å; L1067-Y1107 HydrophobicContact CD1-CD1 4.31Å; L1067-Y1107 HydrophobicContact CD1-CD2 3.81Å; L1067-Y1107 HydrophobicContact CD1-CE1 4.37Å; L1067-Y1107 HydrophobicContact CD1-CE2 3.88Å; L1067-Y1107 HydrophobicContact CD1-CG 4.04Å; L1067-L1112 HydrophobicContact CD1-CD1 3.71Å; L1067-L1112 HydrophobicContact CD2-CD1 4.06Å; L1067-L1112 HydrophobicContact CG-CD1 4.47Å; L1067-F1115 HydrophobicContact CD2-CB 3.75Å; L1067-F1115 HydrophobicContact CD2-CD1 3.88Å; L1067-F1115 HydrophobicContact CD2-CD2 4.43Å; L1067-F1115 HydrophobicContact CD2-CG 3.76Å; L1067-F1115 HydrophobicContact CG-CD1 4.08Å; L1067-F1115 HydrophobicContact CG-CE1 4.38Å; L1067-F1115 HydrophobicContact CG-CG 4.27Å
1068H81.1Confident76Confident32 Ų3258.4 Ų58.415%0.14830%0.298CS..Hα-helixtrans-65.1-37.718060.9-104.2000112.1E1048 F1050 P1066 H1072 F1115E1048-H1068 WeakPolarHBondContact OE2-CB 3.27Å; E1048-H1068 IonicContact OE2-CG 2.89Å; F1050-H1068 AromaticContact CD1-CE1 3.64Å; F1050-H1068 AromaticContact CE1-CE1 3.64Å; P1066-H1068 VanDerWaalsContact C-N 3.32Å; P1066-H1068 PolarHBondContact O-N 2.85Å; H1068-H1072 VanDerWaalsContact O-CB 3.25Å; H1068-H1072 WeakPolarHBondContact O-CB 3.36Å; H1068-H1072 PolarHBondContact O-N 3.46Å; H1068-F1115 HydrophobicContact CB-CE2 3.9Å; H1068-F1115 HydrophobicContact CB-CZ 4.02Å
1069I82.8Confident77Confident72 Ų7252.2 Ų52.237%0.36928%0.28SS..Hα-helixtrans-69.8-45.4175.6-51.6-168.3000110.2V1065 P1066 L1067 W1071 H1072 N1073V1065-I1069 HydrophobicContact CG1-CB 3.87Å; V1065-I1069 HydrophobicContact CG1-CG2 3.99Å; P1066-I1069 HydrophobicContact CB-CG1 4.46Å; P1066-I1069 HydrophobicContact CG-CD1 4.2Å; P1066-I1069 HydrophobicContact CG-CG1 4.41Å; P1066-I1069 PolarHBondContact O-N 2.85Å; P1066-I1069 VanDerWaalsContact O-N 3.15Å; L1067-I1069 VanDerWaalsContact C-N 3.35Å; L1067-I1069 PolarHBondContact O-N 3.44Å; I1069-W1071 VanDerWaalsContact C-N 3.29Å; I1069-W1071 PolarHBondContact O-N 3.29Å; I1069-H1072 PolarHBondContact O-N 2.99Å; I1069-N1073 WeakPolarHBondContact O-CB 3.47Å; I1069-N1073 PolarHBondContact O-N 3.01Å; I1069-N1073 PolarHBondContact O-OD1 2.98Å
1070A83.6Confident77.7Confident6 Ų648.5 Ų48.55%0.0527%0.266CS..Hα-helixtrans-61.2-37.9177.100000112.4V1065 P1066 L1067 L1074 L1100 Y1107V1065-A1070 HydrophobicContact CG1-CB 3.95Å; P1066-A1070 PolarHBondContact O-N 3.42Å; L1067-A1070 PolarHBondContact O-N 3.14Å; A1070-L1074 VanDerWaalsContact O-CB 3.31Å; A1070-L1074 WeakPolarHBondContact O-CB 3.27Å; A1070-L1074 PolarHBondContact O-N 2.67Å; A1070-L1100 HydrophobicContact CB-CD2 4.17Å; A1070-Y1107 HydrophobicContact CB-CE2 4.27Å; A1070-Y1107 VanDerWaalsContact CB-OH 3.25Å; A1070-Y1107 WeakPolarHBondContact CB-OH 3.32Å
1071W85.4Confident78.6Confident11 Ų1147.5 Ų47.54%0.04226%0.26CS..Hα-helixtrans-72.6-42176.5-179.2-109.9000112.8L1067 I1069 L1074 I1075 L1081 V1085 I1091 V1096 F1115 F1116 I1121L1067-W1071 WeakPolarHBondContact O-CB 3.39Å; L1067-W1071 PolarHBondContact O-N 2.95Å; I1069-W1071 VanDerWaalsContact C-N 3.29Å; I1069-W1071 PolarHBondContact O-N 3.29Å; W1071-L1074 HydrophobicContact CE3-CD2 3.85Å; W1071-L1074 HydrophobicContact CZ3-CD2 3.76Å; W1071-L1074 PolarHBondContact O-N 2.88Å; W1071-I1075 HydrophobicContact CD2-CD1 4.44Å; W1071-I1075 HydrophobicContact CG-CD1 4.47Å; W1071-I1075 HydrophobicContact CZ2-CD1 4.13Å; W1071-I1075 HydrophobicContact CZ2-CG1 4.27Å; W1071-I1075 VanDerWaalsContact NE1-CD1 3.27Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.3Å; W1071-I1075 PolarHBondContact O-N 3.25Å; W1071-L1081 HydrophobicContact CH2-CD1 4Å; W1071-L1081 HydrophobicContact CH2-CD2 3.78Å; W1071-L1081 HydrophobicContact CH2-CG 4.39Å; W1071-L1081 HydrophobicContact CZ2-CD2 4.03Å; W1071-L1081 HydrophobicContact CZ3-CD1 4.3Å; W1071-L1081 HydrophobicContact CZ3-CD2 4.41Å; W1071-V1085 HydrophobicContact CZ2-CG2 4.24Å; W1071-I1091 HydrophobicContact CH2-CD1 4.28Å; W1071-V1096 HydrophobicContact CE3-CG1 4.31Å; W1071-V1096 HydrophobicContact CZ3-CG1 3.82Å; W1071-V1096 HydrophobicContact CZ3-CG2 4.14Å; W1071-F1115 HydrophobicContact CB-CE1 3.81Å; W1071-F1115 HydrophobicContact CB-CZ 4.24Å; W1071-F1115 AromaticContact CD1-CE1 3.5Å; W1071-F1115 VanDerWaalsContact CD1-CE1 3.5Å; W1071-F1115 AromaticContact CD1-CZ 3.9Å; W1071-F1115 HydrophobicContact CD2-CE1 4.4Å; W1071-F1115 AromaticContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CZ 4.25Å; W1071-F1116 AromaticContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CZ 4.18Å; W1071-F1116 AromaticContact CE2-CE1 3.73Å; W1071-F1116 AromaticContact CE3-CE1 3.68Å; W1071-F1116 HydrophobicContact CE3-CE1 3.68Å; W1071-F1116 AromaticContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CG-CE1 4.42Å; W1071-F1116 AromaticContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE2 4.39Å; W1071-F1116 AromaticContact CH2-CZ 3.58Å; W1071-F1116 HydrophobicContact CH2-CZ 3.58Å; W1071-F1116 AromaticContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CZ 4.05Å; W1071-F1116 AromaticContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE2 4.45Å; W1071-F1116 AromaticContact CZ3-CZ 3.4Å; W1071-F1116 HydrophobicContact CZ3-CZ 3.4Å; W1071-I1121 HydrophobicContact CZ2-CD1 3.73Å
1072H83.6Confident79.9Confident76 Ų7647.9 Ų47.935%0.35225%0.254SS..Hα-helixtrans-57.5-49.5172.6176.1-88000110.9H1068 I1069 L1074 I1075 C1076H1068-H1072 VanDerWaalsContact O-CB 3.25Å; H1068-H1072 WeakPolarHBondContact O-CB 3.36Å; H1068-H1072 PolarHBondContact O-N 3.46Å; I1069-H1072 PolarHBondContact O-N 2.99Å; H1072-L1074 VanDerWaalsContact C-N 3.3Å; H1072-L1074 PolarHBondContact O-N 3.45Å; H1072-I1075 WeakPolarHBondContact O-CB 3.31Å; H1072-I1075 PolarHBondContact O-N 2.71Å; H1072-I1075 VanDerWaalsContact O-N 3.17Å; H1072-C1076 PolarHBondContact CE1-SG 3.01Å; H1072-C1076 PolarHBondContact O-N 2.91Å; H1072-C1076 PolarHBondContact O-SG 3.19Å; H1072-C1076 VanDerWaalsContact O-SG 3.37Å
1073N82.9Confident81.1Confident51 Ų5146 Ų4627%0.27325%0.245SC..Hα-helixtrans-63.2-36.6178.3-65.91.4000111.9L1032 I1069 C1076 A1077L1032-N1073 HydrophobicContact CD2-CB 3.9Å; I1069-N1073 WeakPolarHBondContact O-CB 3.47Å; I1069-N1073 PolarHBondContact O-N 3.01Å; I1069-N1073 PolarHBondContact O-OD1 2.98Å; N1073-C1076 PolarHBondContact O-N 3.44Å; N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 3.24Å
1074L84.3Confident81.9Confident7 Ų741.1 Ų41.14%0.03721%0.214CC..Hα-helixtrans-65.1-40.6174.5-176.560.7000112.4F1024 A1070 W1071 H1072 N1078 V1096 H1099 L1100F1024-L1074 HydrophobicContact CB-CD1 4.5Å; F1024-L1074 HydrophobicContact CD1-CD1 4.1Å; A1070-L1074 VanDerWaalsContact O-CB 3.31Å; A1070-L1074 WeakPolarHBondContact O-CB 3.27Å; A1070-L1074 PolarHBondContact O-N 2.67Å; W1071-L1074 HydrophobicContact CE3-CD2 3.85Å; W1071-L1074 HydrophobicContact CZ3-CD2 3.76Å; W1071-L1074 PolarHBondContact O-N 2.88Å; H1072-L1074 VanDerWaalsContact C-N 3.3Å; H1072-L1074 PolarHBondContact O-N 3.45Å; L1074-N1078 WeakPolarHBondContact O-CB 3.36Å; L1074-N1078 PolarHBondContact O-N 3.01Å; L1074-N1078 PolarHBondContact O-ND2 3.08Å; L1074-V1096 HydrophobicContact CD2-CG1 3.94Å; L1074-H1099 WeakPolarHBondContact CD1-CD2 3.36Å; L1074-H1099 VanDerWaalsContact CD1-NE2 3.31Å; L1074-H1099 WeakPolarHBondContact CD1-NE2 3.4Å; L1074-L1100 HydrophobicContact CD2-CD2 4.42Å
1075I84.8Confident82.6Confident32 Ų3240.2 Ų40.216%0.16421%0.21CC..Hα-helixtrans-61.4-51.7172.4-77173.3000110.4W1071 H1072 A1077 N1078 L1081 H1082W1071-I1075 HydrophobicContact CD2-CD1 4.44Å; W1071-I1075 HydrophobicContact CG-CD1 4.47Å; W1071-I1075 HydrophobicContact CZ2-CD1 4.13Å; W1071-I1075 HydrophobicContact CZ2-CG1 4.27Å; W1071-I1075 VanDerWaalsContact NE1-CD1 3.27Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.3Å; W1071-I1075 PolarHBondContact O-N 3.25Å; H1072-I1075 WeakPolarHBondContact O-CB 3.31Å; H1072-I1075 PolarHBondContact O-N 2.71Å; H1072-I1075 VanDerWaalsContact O-N 3.17Å; I1075-A1077 VanDerWaalsContact C-N 3.31Å; I1075-A1077 PolarHBondContact O-N 3.02Å; I1075-N1078 CarbonylContact O-C 3.12Å; I1075-N1078 PolarHBondContact O-N 3.13Å; I1075-N1078 VanDerWaalsContact O-N 3.08Å; I1075-L1081 HydrophobicContact CB-CD2 4.43Å; I1075-L1081 HydrophobicContact CG1-CD2 3.52Å; I1075-H1082 HydrophobicContact CG2-CB 3.93Å
1076C79.1Confident82.8Confident17 Ų1744.3 Ų44.312%0.11523%0.231CC..Hα-helixtrans-60.2-37.5-178.1-70.40000113.1L1032 F1035 H1072 N1073 N1078L1032-C1076 HydrophobicContact CD2-CB 4.36Å; F1035-C1076 HydrophobicContact CD2-CB 3.7Å; F1035-C1076 HydrophobicContact CE2-CB 4.12Å; F1035-C1076 HydrophobicContact CG-CB 4.35Å; H1072-C1076 PolarHBondContact CE1-SG 3.01Å; H1072-C1076 PolarHBondContact O-N 2.91Å; H1072-C1076 PolarHBondContact O-SG 3.19Å; H1072-C1076 VanDerWaalsContact O-SG 3.37Å; N1073-C1076 PolarHBondContact O-N 3.44Å; C1076-N1078 VanDerWaalsContact C-N 3.33Å
1077A79.3Confident82.9Confident6 Ų647.3 Ų47.35%0.0525%0.249CC..Hα-helixtrans-77-15.1177.400000114.3A1027 N1073 I1075A1027-A1077 HydrophobicContact CB-CB 3.7Å; N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 3.24Å; I1075-A1077 VanDerWaalsContact C-N 3.31Å; I1075-A1077 PolarHBondContact O-N 3.02Å
1078N81.9Confident82.8Confident11 Ų1154.2 Ų54.26%0.05928%0.276CS..  trans-131.681.9-171.8-66.7-86.8000110.7F1024 N1025 L1074 I1075 C1076 Q1080 L1081 H1082F1024-N1078 VanDerWaalsContact CA-OD1 3.31Å; F1024-N1078 WeakPolarHBondContact CA-OD1 3.35Å; N1025-N1078 PolarHBondContact N-OD1 3.25Å; N1025-N1078 PolarHBondContact O-ND2 3.31Å; N1025-N1078 VanDerWaalsContact O-ND2 3.1Å; L1074-N1078 WeakPolarHBondContact O-CB 3.36Å; L1074-N1078 PolarHBondContact O-N 3.01Å; L1074-N1078 PolarHBondContact O-ND2 3.08Å; I1075-N1078 CarbonylContact O-C 3.12Å; I1075-N1078 PolarHBondContact O-N 3.13Å; I1075-N1078 VanDerWaalsContact O-N 3.08Å; C1076-N1078 VanDerWaalsContact C-N 3.33Å; N1078-Q1080 PolarHBondContact O-N 3.16Å; N1078-Q1080 VanDerWaalsContact O-N 3.15Å; N1078-L1081 HydrophobicContact CB-CB 3.88Å; N1078-L1081 WeakPolarHBondContact O-CA 3.4Å; N1078-L1081 WeakPolarHBondContact O-CB 3.4Å; N1078-L1081 PolarHBondContact O-N 3.16Å; N1078-H1082 PolarHBondContact O-N 2.89Å
1079P79Confident83Confident91 Ų9158.7 Ų58.759%0.59130%0.297SS*.Hα-helixtrans-59.1-29.8-179.722.3-33.4000113L1081 H1082 E1083P1079-L1081 VanDerWaalsContact C-N 3.32Å; P1079-L1081 PolarHBondContact O-N 3.38Å; P1079-H1082 PolarHBondContact O-N 2.91Å; P1079-E1083 WeakPolarHBondContact O-CB 3.47Å; P1079-E1083 PolarHBondContact O-N 2.72Å
1080Q77.3Confident83Confident119 Ų11957.8 Ų57.856%0.55630%0.296SS*.Hα-helixtrans-65.9-32.8172.5-64.8-179.923.500112.6N1078 S1084N1078-Q1080 PolarHBondContact O-N 3.16Å; N1078-Q1080 VanDerWaalsContact O-N 3.15Å; Q1080-S1084 WeakPolarHBondContact O-CB 3.16Å; Q1080-S1084 PolarHBondContact O-N 3.25Å
1081L82.5Confident83.1Confident0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-74.5-41.3173.2-178.6143000110.5F1024 W1071 I1075 N1078 P1079 E1083 S1084 V1085 I1091 V1096F1024-L1081 HydrophobicContact CD1-CD1 4.41Å; F1024-L1081 HydrophobicContact CE1-CD1 3.72Å; W1071-L1081 HydrophobicContact CH2-CD1 4Å; W1071-L1081 HydrophobicContact CH2-CD2 3.78Å; W1071-L1081 HydrophobicContact CH2-CG 4.39Å; W1071-L1081 HydrophobicContact CZ2-CD2 4.03Å; W1071-L1081 HydrophobicContact CZ3-CD1 4.3Å; W1071-L1081 HydrophobicContact CZ3-CD2 4.41Å; I1075-L1081 HydrophobicContact CB-CD2 4.43Å; I1075-L1081 HydrophobicContact CG1-CD2 3.52Å; N1078-L1081 HydrophobicContact CB-CB 3.88Å; N1078-L1081 WeakPolarHBondContact O-CA 3.4Å; N1078-L1081 WeakPolarHBondContact O-CB 3.4Å; N1078-L1081 PolarHBondContact O-N 3.16Å; P1079-L1081 VanDerWaalsContact C-N 3.32Å; P1079-L1081 PolarHBondContact O-N 3.38Å; L1081-E1083 VanDerWaalsContact C-N 3.34Å; L1081-E1083 PolarHBondContact O-N 3.24Å; L1081-S1084 WeakPolarHBondContact CA-OG 3.36Å; L1081-S1084 PolarHBondContact O-N 3.35Å; L1081-S1084 VanDerWaalsContact O-N 3.16Å; L1081-S1084 PolarHBondContact O-OG 2.84Å; L1081-V1085 HydrophobicContact CD2-CG2 4.14Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.16Å; L1081-V1085 PolarHBondContact O-N 3.28Å; L1081-I1091 HydrophobicContact CD1-CD1 4.41Å; L1081-I1091 HydrophobicContact CD1-CG2 4.39Å; L1081-I1091 HydrophobicContact CG-CD1 4.21Å; L1081-V1096 HydrophobicContact CD1-CG2 4.43Å
1082H83.8Confident83.1Confident89 Ų8960.2 Ų60.241%0.41231%0.309SS..Hα-helixtrans-57.1-47173.6-175.4-124.9000111.8I1075 N1078 P1079 S1084 V1085 L1086I1075-H1082 HydrophobicContact CG2-CB 3.93Å; N1078-H1082 PolarHBondContact O-N 2.89Å; P1079-H1082 PolarHBondContact O-N 2.91Å; H1082-S1084 PolarHBondContact O-N 3.1Å; H1082-V1085 PolarHBondContact O-N 3.03Å; H1082-L1086 WeakPolarHBondContact O-CG 3.29Å; H1082-L1086 PolarHBondContact O-N 2.79Å
1083E84.1Confident83.1Confident127 Ų12756.8 Ų56.859%0.59329%0.293SS*.Hα-helixtrans-57.4-47.9172.6-171.9179.6-172.700111.1P1079 L1081 V1085 L1086 T1087P1079-E1083 WeakPolarHBondContact O-CB 3.47Å; P1079-E1083 PolarHBondContact O-N 2.72Å; L1081-E1083 VanDerWaalsContact C-N 3.34Å; L1081-E1083 PolarHBondContact O-N 3.24Å; E1083-V1085 VanDerWaalsContact C-N 3.3Å; E1083-V1085 PolarHBondContact O-N 3.37Å; E1083-L1086 PolarHBondContact O-N 2.88Å; E1083-L1086 VanDerWaalsContact O-N 3.12Å; E1083-T1087 HydrophobicContact CG-CG2 4.43Å; E1083-T1087 WeakPolarHBondContact O-CG2 3.17Å; E1083-T1087 PolarHBondContact O-N 2.93Å; E1083-T1087 PolarHBondContact O-OG1 2.99Å; E1083-T1087 VanDerWaalsContact O-OG1 3.07Å
1084S84.1Confident83.1Confident11 Ų1158 Ų588%0.07730%0.297CS..Hα-helixtrans-60.7-34.1177.877.30000113.8Q1080 L1081 H1082 T1087 Y1088 E1089Q1080-S1084 WeakPolarHBondContact O-CB 3.16Å; Q1080-S1084 PolarHBondContact O-N 3.25Å; L1081-S1084 WeakPolarHBondContact CA-OG 3.36Å; L1081-S1084 PolarHBondContact O-N 3.35Å; L1081-S1084 VanDerWaalsContact O-N 3.16Å; L1081-S1084 PolarHBondContact O-OG 2.84Å; H1082-S1084 PolarHBondContact O-N 3.1Å; S1084-T1087 PolarHBondContact O-OG1 3.4Å; S1084-Y1088 PolarHBondContact O-N 3.4Å; S1084-E1089 PolarHBondContact O-N 3.06Å
1085V86.6Confident83Confident33 Ų3359.1 Ų59.120%0.231%0.308CS..Hα-helixtrans-67.6-47.5173.5172.20000110.2W1071 L1081 H1082 E1083 T1087 Y1088 I1091 I1121W1071-V1085 HydrophobicContact CZ2-CG2 4.24Å; L1081-V1085 HydrophobicContact CD2-CG2 4.14Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.16Å; L1081-V1085 PolarHBondContact O-N 3.28Å; H1082-V1085 PolarHBondContact O-N 3.03Å; E1083-V1085 VanDerWaalsContact C-N 3.3Å; E1083-V1085 PolarHBondContact O-N 3.37Å; V1085-T1087 VanDerWaalsContact C-N 3.35Å; V1085-T1087 PolarHBondContact O-N 2.88Å; V1085-Y1088 PolarHBondContact O-N 3.44Å; V1085-Y1088 VanDerWaalsContact O-N 3.17Å; V1085-I1091 HydrophobicContact CG2-CD1 3.6Å; V1085-I1121 HydrophobicContact CG1-CG1 4.31Å
1086L84.9Confident83Confident114 Ų11457.6 Ų57.660%0.59730%0.3SS*.Hα-helixtrans-65.7-34.1179.9-69.3174.7000113H1082 E1083 Y1088H1082-L1086 WeakPolarHBondContact O-CG 3.29Å; H1082-L1086 PolarHBondContact O-N 2.79Å; E1083-L1086 PolarHBondContact O-N 2.88Å; E1083-L1086 VanDerWaalsContact O-N 3.12Å; L1086-Y1088 VanDerWaalsContact C-N 3.3Å
1087T85.4Confident83.3Confident88 Ų8859.3 Ų59.354%0.5430%0.304SS..THydrogen-bonded Turntrans-85.81.8175.961.50000113.6E1083 S1084 V1085 E1089E1083-T1087 HydrophobicContact CG-CG2 4.43Å; E1083-T1087 WeakPolarHBondContact O-CG2 3.17Å; E1083-T1087 PolarHBondContact O-N 2.93Å; E1083-T1087 PolarHBondContact O-OG1 2.99Å; E1083-T1087 VanDerWaalsContact O-OG1 3.07Å; S1084-T1087 PolarHBondContact O-OG1 3.4Å; V1085-T1087 VanDerWaalsContact C-N 3.35Å; V1085-T1087 PolarHBondContact O-N 2.88Å; T1087-E1089 PolarHBondContact O-N 3.05Å
1088Y82.5Confident83.6Confident145 Ų14563.3 Ų63.357%0.56932%0.324SS*.THydrogen-bonded Turntrans53.134.6-174.1-62.7-89.2000113.9S1084 V1085 L1086 I1122S1084-Y1088 PolarHBondContact O-N 3.4Å; V1085-Y1088 PolarHBondContact O-N 3.44Å; V1085-Y1088 VanDerWaalsContact O-N 3.17Å; L1086-Y1088 VanDerWaalsContact C-N 3.3Å; Y1088-I1122 HydrophobicContact CD1-CD1 4.39Å; Y1088-I1122 HydrophobicContact CD1-CG1 4.34Å
1089E86Confident83.6Confident126 Ų12663.9 Ų63.959%0.58933%0.327SS*.  trans-73.2134.4173.1-168.1-179.8-178.100109.9S1084 T1087 I1091S1084-E1089 PolarHBondContact O-N 3.06Å; T1087-E1089 PolarHBondContact O-N 3.05Å; E1089-I1091 PolarHBondContact O-N 2.89Å
1090P82.3Confident83.7Confident54 Ų5459.9 Ų59.935%0.35130%0.3SS..  trans-72.5104.6-173.828.9-37.9000113.1I1122 R1124P1090-I1122 WeakPolarHBondContact CA-O 3.49Å; P1090-I1122 HydrophobicContact CB-CB 4.48Å; P1090-I1122 HydrophobicContact CB-CG2 3.81Å; P1090-R1124 HydrophobicContact CB-CG 3.74Å; P1090-R1124 HydrophobicContact CG-CG 4.36Å; P1090-R1124 VanDerWaalsContact O-CD 3.28Å; P1090-R1124 WeakPolarHBondContact O-CD 3.5Å; P1090-R1124 WeakPolarHBondContact O-CG 3.33Å
1091I85.1Confident84.1Confident13 Ų1358.4 Ų58.47%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-69.8144.1-177.7-57.2177.3000111.5W1071 L1081 V1085 E1089 L1093 V1096 I1121 I1122 F1123 R1124W1071-I1091 HydrophobicContact CH2-CD1 4.28Å; L1081-I1091 HydrophobicContact CD1-CD1 4.41Å; L1081-I1091 HydrophobicContact CD1-CG2 4.39Å; L1081-I1091 HydrophobicContact CG-CD1 4.21Å; V1085-I1091 HydrophobicContact CG2-CD1 3.6Å; E1089-I1091 PolarHBondContact O-N 2.89Å; I1091-L1093 PolarHBondContact O-N 2.65Å; I1091-V1096 HydrophobicContact CG2-CG2 3.87Å; I1091-I1121 HydrophobicContact CD1-CG2 3.93Å; I1091-I1122 PolarHBondContact N-O 2.68Å; I1091-F1123 CarbonylContact O-C 3.47Å; I1091-F1123 WeakPolarHBondContact O-CA 3.25Å; I1091-F1123 WeakPolarHBondContact O-CB 3.44Å; I1091-R1124 PolarHBondContact O-N 2.88Å
1092D85.4Confident83.8Confident55 Ų5565.6 Ų65.629%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-77.9112.5170.9-179.830.5000112.5Q1094 A1095 V1096D1092-Q1094 PolarHBondContact O-N 3.36Å; D1092-Q1094 WeakPolarHBondContact OD1-CB 3.41Å; D1092-Q1094 PolarHBondContact OD1-N 2.65Å; D1092-A1095 HydrophobicContact CB-CB 4.01Å; D1092-A1095 PolarHBondContact O-N 3.48Å; D1092-A1095 WeakPolarHBondContact OD2-CB 3.2Å; D1092-A1095 PolarHBondContact OD2-N 3.23Å; D1092-V1096 PolarHBondContact O-N 2.86Å
1093L84.5Confident83.3Confident3 Ų365 Ų652%0.01632%0.323CS..Hα-helixtrans-59.5-33.3174.7-169.877.5000112I1091 Y1097 L1112 K1113 F1116 F1123 R1124 Y1125I1091-L1093 PolarHBondContact O-N 2.65Å; L1093-Y1097 VanDerWaalsContact O-CB 3.23Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.3Å; L1093-Y1097 PolarHBondContact O-N 2.91Å; L1093-L1112 HydrophobicContact CD1-CB 4.48Å; L1093-L1112 HydrophobicContact CD1-CD2 3.58Å; L1093-L1112 HydrophobicContact CD1-CG 3.71Å; L1093-L1112 HydrophobicContact CG-CD2 4.14Å; L1093-K1113 HydrophobicContact CD1-CG 4.46Å; L1093-K1113 HydrophobicContact CD2-CD 4.16Å; L1093-K1113 HydrophobicContact CD2-CG 3.65Å; L1093-F1116 HydrophobicContact CD1-CD2 3.6Å; L1093-F1116 HydrophobicContact CD1-CE2 3.51Å; L1093-F1123 HydrophobicContact CB-CB 4.44Å; L1093-F1123 HydrophobicContact CB-CD2 4.13Å; L1093-F1123 HydrophobicContact CD1-CD2 4.37Å; L1093-F1123 HydrophobicContact CD1-CG 4.42Å; L1093-F1123 HydrophobicContact CD2-CD2 4.23Å; L1093-F1123 HydrophobicContact CD2-CE2 4.32Å; L1093-F1123 HydrophobicContact CG-CD2 4.49Å; L1093-R1124 VanDerWaalsContact CB-O 3.32Å; L1093-R1124 WeakPolarHBondContact CB-O 3.21Å; L1093-R1124 PolarHBondContact N-O 3.36Å; L1093-Y1125 HydrophobicContact CD2-CD2 3.63Å; L1093-Y1125 HydrophobicContact CD2-CE2 3.87Å
1094Q82.5Confident82.7Confident76 Ų7659.9 Ų59.936%0.35531%0.305SS..Hα-helixtrans-73.6-41.1-176.5-176.760.54600111.6D1092 Y1097 L1098D1092-Q1094 PolarHBondContact O-N 3.36Å; D1092-Q1094 WeakPolarHBondContact OD1-CB 3.41Å; D1092-Q1094 PolarHBondContact OD1-N 2.65Å; Q1094-Y1097 PolarHBondContact O-N 3Å; Q1094-L1098 HydrophobicContact CG-CD1 4.21Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-L1098 VanDerWaalsContact O-CG 3.26Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.26Å; Q1094-L1098 PolarHBondContact O-N 2.68Å
1095A83Confident82.4Confident32 Ų3261.2 Ų61.226%0.26431%0.31SS..Hα-helixtrans-60.3-49.9172.700000111.6F1024 D1092 Y1097 L1098 H1099F1024-A1095 HydrophobicContact CE2-CB 3.73Å; F1024-A1095 HydrophobicContact CZ-CB 4.01Å; D1092-A1095 HydrophobicContact CB-CB 4.01Å; D1092-A1095 PolarHBondContact O-N 3.48Å; D1092-A1095 WeakPolarHBondContact OD2-CB 3.2Å; D1092-A1095 PolarHBondContact OD2-N 3.23Å; A1095-Y1097 PolarHBondContact O-N 2.82Å; A1095-L1098 PolarHBondContact O-N 3.42Å; A1095-H1099 PolarHBondContact O-N 3.41Å
1096V84.5Confident82.1Confident0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-58.1-47.7175.9171.70000111.4F1024 W1071 L1074 L1081 I1091 D1092 L1098 H1099 L1100 F1116F1024-V1096 HydrophobicContact CE1-CG2 4.12Å; F1024-V1096 HydrophobicContact CZ-CG2 3.77Å; W1071-V1096 HydrophobicContact CE3-CG1 4.31Å; W1071-V1096 HydrophobicContact CZ3-CG1 3.82Å; W1071-V1096 HydrophobicContact CZ3-CG2 4.14Å; L1074-V1096 HydrophobicContact CD2-CG1 3.94Å; L1081-V1096 HydrophobicContact CD1-CG2 4.43Å; I1091-V1096 HydrophobicContact CG2-CG2 3.87Å; D1092-V1096 PolarHBondContact O-N 2.86Å; V1096-L1098 VanDerWaalsContact C-N 3.31Å; V1096-L1098 PolarHBondContact O-N 2.9Å; V1096-H1099 PolarHBondContact O-N 2.78Å; V1096-L1100 HydrophobicContact CG1-CD1 3.85Å; V1096-L1100 HydrophobicContact CG1-CG 4.35Å; V1096-L1100 WeakPolarHBondContact O-CG 3.44Å; V1096-L1100 PolarHBondContact O-N 3.44Å; V1096-F1116 HydrophobicContact CG1-CZ 4.22Å
1097Y84.9Confident82.1Confident52 Ų5259.6 Ų59.620%0.20429%0.292CS..Hα-helixtrans-61.7-37.6179.2175.9-102.2000112.8L1093 Q1094 A1095 K1101 Y1107 P1109L1093-Y1097 VanDerWaalsContact O-CB 3.23Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.3Å; L1093-Y1097 PolarHBondContact O-N 2.91Å; Q1094-Y1097 PolarHBondContact O-N 3Å; A1095-Y1097 PolarHBondContact O-N 2.82Å; Y1097-K1101 HydrophobicContact CE1-CD 4.28Å; Y1097-K1101 WeakPolarHBondContact O-CB 3.48Å; Y1097-K1101 PolarHBondContact O-N 3.24Å; Y1097-K1101 VanDerWaalsContact O-N 3.15Å; Y1097-Y1107 WeakPolarHBondContact CE2-O 3.35Å; Y1097-P1109 HydrophobicContact CD2-CG 4.25Å; Y1097-P1109 HydrophobicContact CE2-CG 3.95Å
1098L84.7Confident82Confident90 Ų9057.8 Ų57.847%0.47128%0.279SS..Hα-helixtrans-70.8-37.9176.5-73.9171.1000112.6Q1094 A1095 V1096 K1101 H1102Q1094-L1098 HydrophobicContact CG-CD1 4.21Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-L1098 VanDerWaalsContact O-CG 3.26Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.26Å; Q1094-L1098 PolarHBondContact O-N 2.68Å; A1095-L1098 PolarHBondContact O-N 3.42Å; V1096-L1098 VanDerWaalsContact C-N 3.31Å; V1096-L1098 PolarHBondContact O-N 2.9Å; L1098-K1101 PolarHBondContact O-N 3.42Å; L1098-H1102 PolarHBondContact O-N 3.16Å
1099H81.6Confident82.1Confident24 Ų2452.8 Ų52.811%0.11127%0.265CS..Hα-helixtrans-69.4-48.2177.5170.876.5000112F1024 D1026 L1074 A1095 V1096 K1101 H1102 M1103F1024-H1099 HydrophobicContact CB-CB 4.42Å; F1024-H1099 WeakPolarHBondContact CB-ND1 3.26Å; F1024-H1099 HydrophobicContact CD2-CB 3.54Å; F1024-H1099 AromaticContact CD2-CG 3.76Å; F1024-H1099 HydrophobicContact CE2-CB 4.02Å; F1024-H1099 HydrophobicContact CG-CB 4.14Å; F1024-H1099 AromaticContact CG-CG 3.86Å; D1026-H1099 IonicContact OD1-CE1 2.72Å; D1026-H1099 PolarHBondContact OD1-CE1 2.87Å; D1026-H1099 VanDerWaalsContact OD1-CE1 3.23Å; D1026-H1099 IonicContact OD1-ND1 3.73Å; L1074-H1099 WeakPolarHBondContact CD1-CD2 3.36Å; L1074-H1099 VanDerWaalsContact CD1-NE2 3.31Å; L1074-H1099 WeakPolarHBondContact CD1-NE2 3.4Å; A1095-H1099 PolarHBondContact O-N 3.41Å; V1096-H1099 PolarHBondContact O-N 2.78Å; H1099-K1101 PolarHBondContact O-N 3.47Å; H1099-H1102 WeakPolarHBondContact O-CA 3.48Å; H1099-H1102 VanDerWaalsContact O-CB 3.26Å; H1099-H1102 WeakPolarHBondContact O-CB 3.47Å; H1099-H1102 PolarHBondContact O-N 3.47Å; H1099-M1103 PolarHBondContact O-N 3.35Å
1100L83Confident82Confident6 Ų653.6 Ų53.63%0.03127%0.266CS..Hα-helixtrans-55.1-42.4172.9-69.4171.3000111.2L1067 A1070 L1074 V1096 H1102 M1103 G1104 H1105 Y1107L1067-L1100 HydrophobicContact CD1-CD1 4.44Å; A1070-L1100 HydrophobicContact CB-CD2 4.17Å; L1074-L1100 HydrophobicContact CD2-CD2 4.42Å; V1096-L1100 HydrophobicContact CG1-CD1 3.85Å; V1096-L1100 HydrophobicContact CG1-CG 4.35Å; V1096-L1100 WeakPolarHBondContact O-CG 3.44Å; V1096-L1100 PolarHBondContact O-N 3.44Å; L1100-H1102 VanDerWaalsContact C-N 3.29Å; L1100-H1102 PolarHBondContact O-N 3.47Å; L1100-M1103 CarbonylContact O-C 3.19Å; L1100-M1103 WeakPolarHBondContact O-CB 3.46Å; L1100-M1103 PolarHBondContact O-N 2.93Å; L1100-G1104 PolarHBondContact O-N 3.28Å; L1100-H1105 CarbonylContact C-O 3.37Å; L1100-H1105 HydrophobicContact CB-CB 4.46Å; L1100-H1105 CarbonylContact O-C 3.31Å; L1100-H1105 WeakPolarHBondContact O-CA 3.47Å; L1100-H1105 WeakPolarHBondContact O-CB 3.27Å; L1100-H1105 PolarHBondContact O-N 3.12Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.12Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.17Å
1101K83.7Confident82.1Confident88 Ų8853.7 Ų53.738%0.38326%0.264SS..Hα-helixtrans-66.4-25.9175.5-180-179.7173.4-174.90113.8Y1097 L1098 H1099 G1104 H1105Y1097-K1101 HydrophobicContact CE1-CD 4.28Å; Y1097-K1101 WeakPolarHBondContact O-CB 3.48Å; Y1097-K1101 PolarHBondContact O-N 3.24Å; Y1097-K1101 VanDerWaalsContact O-N 3.15Å; L1098-K1101 PolarHBondContact O-N 3.42Å; H1099-K1101 PolarHBondContact O-N 3.47Å; K1101-G1104 PolarHBondContact O-N 2.99Å; K1101-H1105 WeakPolarHBondContact CA-O 3.3Å; K1101-H1105 PolarHBondContact N-O 2.92Å
1102H78Confident82.1Confident152 Ų15253.1 Ų53.170%0.70426%0.261SS*.Hα-helixtrans-71.2-44.2171.8-168.962.8000110.5L1098 H1099 L1100 G1104L1098-H1102 PolarHBondContact O-N 3.16Å; H1099-H1102 WeakPolarHBondContact O-CA 3.48Å; H1099-H1102 VanDerWaalsContact O-CB 3.26Å; H1099-H1102 WeakPolarHBondContact O-CB 3.47Å; H1099-H1102 PolarHBondContact O-N 3.47Å; L1100-H1102 VanDerWaalsContact C-N 3.29Å; L1100-H1102 PolarHBondContact O-N 3.47Å; H1102-G1104 PolarHBondContact O-N 2.79Å
1103M71.6Confident82.1Confident76 Ų7652.7 Ų52.737%0.37426%0.256SS..THydrogen-bonded Turntrans-66.514.8170.3-60.5-61.1-90.100114.1D1026 H1099 L1100 H1105D1026-M1103 HydrophobicContact CB-CE 3.92Å; D1026-M1103 HydrophobicContact CB-SD 4.3Å; D1026-M1103 VanDerWaalsContact OD1-SD 3.33Å; H1099-M1103 PolarHBondContact O-N 3.35Å; L1100-M1103 CarbonylContact O-C 3.19Å; L1100-M1103 WeakPolarHBondContact O-CB 3.46Å; L1100-M1103 PolarHBondContact O-N 2.93Å; M1103-H1105 PolarHBondContact O-CE1 3.46Å; M1103-H1105 PolarHBondContact O-N 3.36Å; M1103-H1105 PolarHBondContact O-ND1 3.26Å
1104G71.8Confident82.2Confident20 Ų2055.6 Ų55.621%0.20627%0.274CS..THydrogen-bonded Turntrans72.8-12.7-178.200000115.2L1100 K1101 H1102 R1106L1100-G1104 PolarHBondContact O-N 3.28Å; K1101-G1104 PolarHBondContact O-N 2.99Å; H1102-G1104 PolarHBondContact O-N 2.79Å; G1104-R1106 PolarHBondContact O-N 3.24Å
1105H79.3Confident82.3Confident39 Ų3952.8 Ų52.818%0.18126%0.261CS..  trans-79118.2-175.5-60.38.9000111.1Q1053 L1100 K1101 M1103 Y1107Q1053-H1105 PolarHBondContact NE2-ND1 2.79Å; L1100-H1105 CarbonylContact C-O 3.37Å; L1100-H1105 HydrophobicContact CB-CB 4.46Å; L1100-H1105 CarbonylContact O-C 3.31Å; L1100-H1105 WeakPolarHBondContact O-CA 3.47Å; L1100-H1105 WeakPolarHBondContact O-CB 3.27Å; L1100-H1105 PolarHBondContact O-N 3.12Å; K1101-H1105 WeakPolarHBondContact CA-O 3.3Å; K1101-H1105 PolarHBondContact N-O 2.92Å; M1103-H1105 PolarHBondContact O-CE1 3.46Å; M1103-H1105 PolarHBondContact O-N 3.36Å; M1103-H1105 PolarHBondContact O-ND1 3.26Å; H1105-Y1107 HydrophobicContact CB-CE2 3.76Å
1106R79.9Confident82.5Confident109 Ų10951.2 Ų51.241%0.41125%0.248SC..  trans-116.3125.3-177.4-65.2-178.5-178.6-152.90.3110.4Q1053 T1054 G1104Q1053-R1106 CarbonylContact C-O 3.43Å; Q1053-R1106 VanDerWaalsContact C-O 3.31Å; Q1053-R1106 WeakPolarHBondContact CA-O 3.28Å; Q1053-R1106 VanDerWaalsContact CB-O 3.25Å; Q1053-R1106 WeakPolarHBondContact CB-O 3.45Å; T1054-R1106 PolarHBondContact N-O 3.39Å; T1054-R1106 WeakPolarHBondContact O-CB 3.41Å; G1104-R1106 PolarHBondContact O-N 3.24Å
1107Y83.8Confident82.7Confident3 Ų356.1 Ų56.11%0.01227%0.274CS..  trans-124.1164.4176.2-55.1-76.4000110.2V1051 Q1053 V1065 L1067 A1070 Y1097 L1100 H1105V1051-Y1107 HydrophobicContact CG1-CD1 4.09Å; Q1053-Y1107 HydrophobicContact CB-CE1 4.38Å; Q1053-Y1107 HydrophobicContact CG-CD1 4.21Å; Q1053-Y1107 HydrophobicContact CG-CE1 3.52Å; V1065-Y1107 PolarHBondContact O-OH 3.32Å; L1067-Y1107 HydrophobicContact CB-CD1 4.02Å; L1067-Y1107 HydrophobicContact CB-CE1 3.84Å; L1067-Y1107 HydrophobicContact CD1-CD1 4.31Å; L1067-Y1107 HydrophobicContact CD1-CD2 3.81Å; L1067-Y1107 HydrophobicContact CD1-CE1 4.37Å; L1067-Y1107 HydrophobicContact CD1-CE2 3.88Å; L1067-Y1107 HydrophobicContact CD1-CG 4.04Å; A1070-Y1107 HydrophobicContact CB-CE2 4.27Å; A1070-Y1107 VanDerWaalsContact CB-OH 3.25Å; A1070-Y1107 WeakPolarHBondContact CB-OH 3.32Å; Y1097-Y1107 WeakPolarHBondContact CE2-O 3.35Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.12Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.17Å; H1105-Y1107 HydrophobicContact CB-CE2 3.76Å
1108D83.9Confident82.6Confident50 Ų5060.8 Ų60.827%0.26729%0.292SS..  trans-75130.4167.1-168.2-40.7000108.9T1054 K1110 D1111 L1112T1054-D1108 HydrophobicContact CG2-CB 4.23Å; D1108-K1110 PolarHBondContact O-N 3.18Å; D1108-K1110 VanDerWaalsContact O-N 3.09Å; D1108-K1110 WeakPolarHBondContact OD1-CB 3.41Å; D1108-K1110 VanDerWaalsContact OD1-CG 3.31Å; D1108-K1110 WeakPolarHBondContact OD1-CG 3.23Å; D1108-K1110 PolarHBondContact OD1-N 2.81Å; D1108-K1110 IonicContact OD2-NZ 3.99Å; D1108-D1111 HydrophobicContact CB-CB 4.38Å; D1108-D1111 WeakPolarHBondContact CB-OD2 3.27Å; D1108-D1111 PolarHBondContact O-N 3.04Å; D1108-L1112 PolarHBondContact O-N 3.48Å; D1108-L1112 VanDerWaalsContact O-N 3.07Å
1109P83.5Confident82.4Confident41 Ų4161.7 Ų61.727%0.26629%0.289SS..Hα-helixtrans-55.4-18.8171.4-27.836.4000115.3Y1097 K1113Y1097-P1109 HydrophobicContact CD2-CG 4.25Å; Y1097-P1109 HydrophobicContact CE2-CG 3.95Å; P1109-K1113 VanDerWaalsContact O-CG 3.23Å; P1109-K1113 WeakPolarHBondContact O-CG 3.38Å; P1109-K1113 PolarHBondContact O-N 2.91Å
1110K84.5Confident82.5Confident142 Ų14264.6 Ų64.662%0.61731%0.311SS*.Hα-helixtrans-72.3-42.6170-63.7168.2-170.1156.30112.2D1108 K1113 T1114D1108-K1110 PolarHBondContact O-N 3.18Å; D1108-K1110 VanDerWaalsContact O-N 3.09Å; D1108-K1110 WeakPolarHBondContact OD1-CB 3.41Å; D1108-K1110 VanDerWaalsContact OD1-CG 3.31Å; D1108-K1110 WeakPolarHBondContact OD1-CG 3.23Å; D1108-K1110 PolarHBondContact OD1-N 2.81Å; D1108-K1110 IonicContact OD2-NZ 3.99Å; K1110-K1113 PolarHBondContact O-N 2.99Å; K1110-T1114 WeakPolarHBondContact O-CB 3.45Å; K1110-T1114 PolarHBondContact O-N 3.41Å; K1110-T1114 PolarHBondContact O-OG1 2.92Å
1111D85.2Confident82.7Confident57 Ų5764.9 Ų64.931%0.30531%0.312SS..Hα-helixtrans-71.8-39.7-177.4-58.1-20.2000109.7V1051 D1108 K1113 T1114 F1115V1051-D1111 HydrophobicContact CB-CB 4.41Å; V1051-D1111 HydrophobicContact CG1-CB 3.54Å; V1051-D1111 HydrophobicContact CG2-CB 3.92Å; D1108-D1111 HydrophobicContact CB-CB 4.38Å; D1108-D1111 WeakPolarHBondContact CB-OD2 3.27Å; D1108-D1111 PolarHBondContact O-N 3.04Å; D1111-K1113 VanDerWaalsContact C-N 3.33Å; D1111-K1113 PolarHBondContact O-N 3.37Å; D1111-T1114 PolarHBondContact O-N 3.16Å; D1111-F1115 VanDerWaalsContact O-CB 3.28Å; D1111-F1115 WeakPolarHBondContact O-CB 3.26Å; D1111-F1115 PolarHBondContact O-N 3.42Å
1112L85.1Confident82.8Confident1 Ų164.7 Ų64.71%0.00532%0.315CS..Hα-helixtrans-58.9-42.1173.2-171.865.1000112.1L1067 L1093 D1108 F1116L1067-L1112 HydrophobicContact CD1-CD1 3.71Å; L1067-L1112 HydrophobicContact CD2-CD1 4.06Å; L1067-L1112 HydrophobicContact CG-CD1 4.47Å; L1093-L1112 HydrophobicContact CD1-CB 4.48Å; L1093-L1112 HydrophobicContact CD1-CD2 3.58Å; L1093-L1112 HydrophobicContact CD1-CG 3.71Å; L1093-L1112 HydrophobicContact CG-CD2 4.14Å; D1108-L1112 PolarHBondContact O-N 3.48Å; D1108-L1112 VanDerWaalsContact O-N 3.07Å; L1112-F1116 HydrophobicContact CD1-CE1 3.85Å; L1112-F1116 HydrophobicContact CD1-CE2 4.28Å; L1112-F1116 HydrophobicContact CD1-CZ 3.69Å; L1112-F1116 HydrophobicContact CG-CE2 4.2Å; L1112-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 WeakPolarHBondContact O-CG 3.48Å; L1112-F1116 PolarHBondContact O-N 3.14Å
1113K85.1Confident83.2Confident46 Ų4659.8 Ų59.820%0.229%0.291CS..Hα-helixtrans-63.4-52.2172.4-73.7175.3177.6-165.80111.9L1093 P1109 K1110 D1111 F1115 F1116 D1117 F1123 Y1125L1093-K1113 HydrophobicContact CD1-CG 4.46Å; L1093-K1113 HydrophobicContact CD2-CD 4.16Å; L1093-K1113 HydrophobicContact CD2-CG 3.65Å; P1109-K1113 VanDerWaalsContact O-CG 3.23Å; P1109-K1113 WeakPolarHBondContact O-CG 3.38Å; P1109-K1113 PolarHBondContact O-N 2.91Å; K1110-K1113 PolarHBondContact O-N 2.99Å; D1111-K1113 VanDerWaalsContact C-N 3.33Å; D1111-K1113 PolarHBondContact O-N 3.37Å; K1113-F1115 PolarHBondContact O-N 3.04Å; K1113-F1115 VanDerWaalsContact O-N 3.16Å; K1113-F1116 CarbonylContact O-C 3.45Å; K1113-F1116 PolarHBondContact O-N 3.36Å; K1113-D1117 WeakPolarHBondContact O-CB 3.2Å; K1113-D1117 VanDerWaalsContact O-CG 3.24Å; K1113-D1117 PolarHBondContact O-N 3.08Å; K1113-D1117 VanDerWaalsContact O-OD2 3.13Å; K1113-F1123 HydrophobicContact CB-CZ 4.06Å; K1113-F1123 HydrophobicContact CD-CE2 4.27Å; K1113-F1123 HydrophobicContact CD-CZ 4.3Å; K1113-F1123 HydrophobicContact CG-CE2 3.87Å; K1113-F1123 HydrophobicContact CG-CZ 3.71Å; K1113-Y1125 VanDerWaalsContact CE-CE2 3.47Å; K1113-Y1125 VanDerWaalsContact NZ-CD1 3.32Å; K1113-Y1125 VanDerWaalsContact NZ-CE2 3.29Å
1114T85.7Confident83.9Confident64 Ų6460.8 Ų60.839%0.39329%0.291SS..Hα-helixtrans-57.3-34.2-179.6-52.90000111.6K1110 D1111 R1118K1110-T1114 WeakPolarHBondContact O-CB 3.45Å; K1110-T1114 PolarHBondContact O-N 3.41Å; K1110-T1114 PolarHBondContact O-OG1 2.92Å; D1111-T1114 PolarHBondContact O-N 3.16Å; T1114-R1118 WeakPolarHBondContact O-CB 3.33Å; T1114-R1118 WeakPolarHBondContact O-CD 3.44Å; T1114-R1118 WeakPolarHBondContact O-CG 3.23Å; T1114-R1118 PolarHBondContact O-N 2.95Å
1115F85.6Confident84.1Confident16 Ų1665.1 Ų65.17%0.0730%0.302CS..Hα-helixtrans-71.2-43.3174.5178.6-102.7000112.6L1067 H1068 W1071 D1111 K1113 R1118 R1119L1067-F1115 HydrophobicContact CD2-CB 3.75Å; L1067-F1115 HydrophobicContact CD2-CD1 3.88Å; L1067-F1115 HydrophobicContact CD2-CD2 4.43Å; L1067-F1115 HydrophobicContact CD2-CG 3.76Å; L1067-F1115 HydrophobicContact CG-CD1 4.08Å; L1067-F1115 HydrophobicContact CG-CE1 4.38Å; L1067-F1115 HydrophobicContact CG-CG 4.27Å; H1068-F1115 HydrophobicContact CB-CE2 3.9Å; H1068-F1115 HydrophobicContact CB-CZ 4.02Å; W1071-F1115 HydrophobicContact CB-CE1 3.81Å; W1071-F1115 HydrophobicContact CB-CZ 4.24Å; W1071-F1115 AromaticContact CD1-CE1 3.5Å; W1071-F1115 VanDerWaalsContact CD1-CE1 3.5Å; W1071-F1115 AromaticContact CD1-CZ 3.9Å; W1071-F1115 HydrophobicContact CD2-CE1 4.4Å; W1071-F1115 AromaticContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CZ 4.25Å; D1111-F1115 VanDerWaalsContact O-CB 3.28Å; D1111-F1115 WeakPolarHBondContact O-CB 3.26Å; D1111-F1115 PolarHBondContact O-N 3.42Å; K1113-F1115 PolarHBondContact O-N 3.04Å; K1113-F1115 VanDerWaalsContact O-N 3.16Å; F1115-R1118 PolarHBondContact O-N 3.05Å; F1115-R1119 HydrophobicContact CE2-CG 4.41Å; F1115-R1119 HydrophobicContact CZ-CG 4.3Å; F1115-R1119 WeakPolarHBondContact O-CG 3.4Å; F1115-R1119 PolarHBondContact O-N 2.75Å; F1115-R1119 VanDerWaalsContact O-N 3.08Å
1116F87.3Confident83.1Confident0 Ų068.3 Ų68.30%032%0.317CS..Hα-helixtrans-68.5-42.9175.6-71.1-3000113.1W1071 L1093 V1096 L1112 K1113 R1118 R1119 C1120 I1121 F1123W1071-F1116 AromaticContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CZ 4.18Å; W1071-F1116 AromaticContact CE2-CE1 3.73Å; W1071-F1116 AromaticContact CE3-CE1 3.68Å; W1071-F1116 HydrophobicContact CE3-CE1 3.68Å; W1071-F1116 AromaticContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CG-CE1 4.42Å; W1071-F1116 AromaticContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE2 4.39Å; W1071-F1116 AromaticContact CH2-CZ 3.58Å; W1071-F1116 HydrophobicContact CH2-CZ 3.58Å; W1071-F1116 AromaticContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CZ 4.05Å; W1071-F1116 AromaticContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE2 4.45Å; W1071-F1116 AromaticContact CZ3-CZ 3.4Å; W1071-F1116 HydrophobicContact CZ3-CZ 3.4Å; L1093-F1116 HydrophobicContact CD1-CD2 3.6Å; L1093-F1116 HydrophobicContact CD1-CE2 3.51Å; V1096-F1116 HydrophobicContact CG1-CZ 4.22Å; L1112-F1116 HydrophobicContact CD1-CE1 3.85Å; L1112-F1116 HydrophobicContact CD1-CE2 4.28Å; L1112-F1116 HydrophobicContact CD1-CZ 3.69Å; L1112-F1116 HydrophobicContact CG-CE2 4.2Å; L1112-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 WeakPolarHBondContact O-CG 3.48Å; L1112-F1116 PolarHBondContact O-N 3.14Å; K1113-F1116 CarbonylContact O-C 3.45Å; K1113-F1116 PolarHBondContact O-N 3.36Å; F1116-R1118 VanDerWaalsContact C-N 3.26Å; F1116-R1118 PolarHBondContact O-N 3.17Å; F1116-R1119 CarbonylContact O-C 3.08Å; F1116-R1119 PolarHBondContact O-N 2.88Å; F1116-R1119 VanDerWaalsContact O-N 3.14Å; F1116-C1120 PolarHBondContact O-N 3.02Å; F1116-I1121 HydrophobicContact CB-CB 4.05Å; F1116-I1121 HydrophobicContact CD1-CD1 3.9Å; F1116-I1121 HydrophobicContact CD2-CG2 4.45Å; F1116-I1121 HydrophobicContact CE1-CD1 4.4Å; F1116-I1121 HydrophobicContact CG-CB 4.28Å; F1116-I1121 HydrophobicContact CG-CD1 4.46Å; F1116-I1121 HydrophobicContact CG-CG2 4.32Å; F1116-I1121 PolarHBondContact O-N 3.03Å; F1116-F1123 HydrophobicContact CB-CD1 3.77Å; F1116-F1123 HydrophobicContact CB-CE1 3.98Å; F1116-F1123 HydrophobicContact CD2-CB 4.27Å; F1116-F1123 AromaticContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CG 4.26Å; F1116-F1123 HydrophobicContact CG-CD1 4.38Å
1117D87.8Confident81.6Confident103 Ų10369.9 Ų69.955%0.55133%0.333SS*.Hα-helixtrans-56.2-41.9174.7-68-39.1000110.7K1113 C1120 F1123K1113-D1117 WeakPolarHBondContact O-CB 3.2Å; K1113-D1117 VanDerWaalsContact O-CG 3.24Å; K1113-D1117 PolarHBondContact O-N 3.08Å; K1113-D1117 VanDerWaalsContact O-OD2 3.13Å; D1117-C1120 PolarHBondContact O-N 3.04Å; D1117-F1123 WeakPolarHBondContact OD1-CE1 3.44Å
1118R83.3Confident79.4Confident150 Ų15072.4 Ų72.457%0.56636%0.36SS*.Hα-helixtrans-70.2-34.3176-76172.6-177.7-159.98.3114.4T1049 T1114 F1115 F1116 C1120T1049-R1118 PolarHBondContact OG1-NH1 3.31Å; T1049-R1118 PolarHBondContact OG1-NH2 3.43Å; T1114-R1118 WeakPolarHBondContact O-CB 3.33Å; T1114-R1118 WeakPolarHBondContact O-CD 3.44Å; T1114-R1118 WeakPolarHBondContact O-CG 3.23Å; T1114-R1118 PolarHBondContact O-N 2.95Å; F1115-R1118 PolarHBondContact O-N 3.05Å; F1116-R1118 VanDerWaalsContact C-N 3.26Å; F1116-R1118 PolarHBondContact O-N 3.17Å; R1118-C1120 PolarHBondContact O-N 3.41Å
1119R81.6Confident77Confident108 Ų10874.3 Ų74.341%0.40838%0.382SS..THydrogen-bonded Turntrans-85.17.6175.8-67.1-70.2-164.2169.67.5112.3E1048 F1115 F1116 I1121E1048-R1119 IonicContact OE1-CZ 2.69Å; E1048-R1119 IonicContact OE1-NH2 2.65Å; E1048-R1119 PolarHBondContact OE1-NH2 3.43Å; E1048-R1119 IonicContact OE2-CZ 2.96Å; E1048-R1119 IonicContact OE2-NE 3.84Å; E1048-R1119 IonicContact OE2-NH2 3.62Å; E1048-R1119 PolarHBondContact OE2-NH2 3.12Å; F1115-R1119 HydrophobicContact CE2-CG 4.41Å; F1115-R1119 HydrophobicContact CZ-CG 4.3Å; F1115-R1119 WeakPolarHBondContact O-CG 3.4Å; F1115-R1119 PolarHBondContact O-N 2.75Å; F1115-R1119 VanDerWaalsContact O-N 3.08Å; F1116-R1119 CarbonylContact O-C 3.08Å; F1116-R1119 PolarHBondContact O-N 2.88Å; F1116-R1119 VanDerWaalsContact O-N 3.14Å; R1119-I1121 HydrophobicContact CB-CD1 3.61Å; R1119-I1121 HydrophobicContact CB-CG1 3.85Å; R1119-I1121 HydrophobicContact CG-CD1 4.43Å; R1119-I1121 PolarHBondContact O-N 3.37Å
1120C83.3Confident74.8Confident85 Ų8579 Ų7957%0.57441%0.412SS*.THydrogen-bonded Turntrans56.225.8-176-61.40000114.6F1116 D1117 R1118F1116-C1120 PolarHBondContact O-N 3.02Å; D1117-C1120 PolarHBondContact O-N 3.04Å; R1118-C1120 PolarHBondContact O-N 3.41Å
1121I87.3Confident72.8Confident13 Ų1374.8 Ų74.87%0.06741%0.41CS..  trans-82.3118.3-178.1-61.8165.2000108.9W1071 V1085 I1091 F1116 R1119 F1123W1071-I1121 HydrophobicContact CZ2-CD1 3.73Å; V1085-I1121 HydrophobicContact CG1-CG1 4.31Å; I1091-I1121 HydrophobicContact CD1-CG2 3.93Å; F1116-I1121 HydrophobicContact CB-CB 4.05Å; F1116-I1121 HydrophobicContact CD1-CD1 3.9Å; F1116-I1121 HydrophobicContact CD2-CG2 4.45Å; F1116-I1121 HydrophobicContact CE1-CD1 4.4Å; F1116-I1121 HydrophobicContact CG-CB 4.28Å; F1116-I1121 HydrophobicContact CG-CD1 4.46Å; F1116-I1121 HydrophobicContact CG-CG2 4.32Å; F1116-I1121 PolarHBondContact O-N 3.03Å; R1119-I1121 HydrophobicContact CB-CD1 3.61Å; R1119-I1121 HydrophobicContact CB-CG1 3.85Å; R1119-I1121 HydrophobicContact CG-CD1 4.43Å; R1119-I1121 PolarHBondContact O-N 3.37Å; I1121-F1123 WeakPolarHBondContact O-CD1 3.2Å
1122I85.6Confident70.8Confident84 Ų8482.2 Ų82.243%0.43144%0.439SS..  trans-75.7129.5178.2-48.5-171000109.4Y1088 P1090 I1091Y1088-I1122 HydrophobicContact CD1-CD1 4.39Å; Y1088-I1122 HydrophobicContact CD1-CG1 4.34Å; P1090-I1122 WeakPolarHBondContact CA-O 3.49Å; P1090-I1122 HydrophobicContact CB-CB 4.48Å; P1090-I1122 HydrophobicContact CB-CG2 3.81Å; I1091-I1122 PolarHBondContact N-O 2.68Å
1123F86.5Confident68.6Low48 Ų4891.9 Ų91.921%0.21149%0.485CS..EExtended strand (participates in β ladder)trans-133.6156.3178.563.7-93.2000114I1091 L1093 K1113 F1116 D1117 I1121I1091-F1123 CarbonylContact O-C 3.47Å; I1091-F1123 WeakPolarHBondContact O-CA 3.25Å; I1091-F1123 WeakPolarHBondContact O-CB 3.44Å; L1093-F1123 HydrophobicContact CB-CB 4.44Å; L1093-F1123 HydrophobicContact CB-CD2 4.13Å; L1093-F1123 HydrophobicContact CD1-CD2 4.37Å; L1093-F1123 HydrophobicContact CD1-CG 4.42Å; L1093-F1123 HydrophobicContact CD2-CD2 4.23Å; L1093-F1123 HydrophobicContact CD2-CE2 4.32Å; L1093-F1123 HydrophobicContact CG-CD2 4.49Å; K1113-F1123 HydrophobicContact CB-CZ 4.06Å; K1113-F1123 HydrophobicContact CD-CE2 4.27Å; K1113-F1123 HydrophobicContact CD-CZ 4.3Å; K1113-F1123 HydrophobicContact CG-CE2 3.87Å; K1113-F1123 HydrophobicContact CG-CZ 3.71Å; F1116-F1123 HydrophobicContact CB-CD1 3.77Å; F1116-F1123 HydrophobicContact CB-CE1 3.98Å; F1116-F1123 HydrophobicContact CD2-CB 4.27Å; F1116-F1123 AromaticContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CG 4.26Å; F1116-F1123 HydrophobicContact CG-CD1 4.38Å; D1117-F1123 WeakPolarHBondContact OD1-CE1 3.44Å; I1121-F1123 WeakPolarHBondContact O-CD1 3.2Å
1124R85.6Confident66.2Low98 Ų9894.8 Ų94.837%0.3752%0.517SS..EExtended strand (participates in β ladder)trans-98.4148.4173.8-50-176.178.5143.77109.2Y946 P1090 I1091 L1093Y946-R1124 PolarHBondContact OH-NH2 3.03Å; Y946-R1124 VanDerWaalsContact OH-NH2 3.1Å; P1090-R1124 HydrophobicContact CB-CG 3.74Å; P1090-R1124 HydrophobicContact CG-CG 4.36Å; P1090-R1124 VanDerWaalsContact O-CD 3.28Å; P1090-R1124 WeakPolarHBondContact O-CD 3.5Å; P1090-R1124 WeakPolarHBondContact O-CG 3.33Å; I1091-R1124 PolarHBondContact O-N 2.88Å; L1093-R1124 VanDerWaalsContact CB-O 3.32Å; L1093-R1124 WeakPolarHBondContact CB-O 3.21Å; L1093-R1124 PolarHBondContact N-O 3.36Å
1125Y75.8Confident63.9Low110 Ų110100.5 Ų100.543%0.43154%0.54SS..  trans-12977.6179.2-164.8-125.5000110.7L1093 K1113 L1127L1093-Y1125 HydrophobicContact CD2-CD2 3.63Å; L1093-Y1125 HydrophobicContact CD2-CE2 3.87Å; K1113-Y1125 VanDerWaalsContact CE-CE2 3.47Å; K1113-Y1125 VanDerWaalsContact NZ-CD1 3.32Å; K1113-Y1125 VanDerWaalsContact NZ-CE2 3.29Å; Y1125-L1127 VanDerWaalsContact C-N 3.29Å; Y1125-L1127 HydrophobicContact CD1-CD1 4.13Å; Y1125-L1127 HydrophobicContact CD1-CG 4.13Å; Y1125-L1127 HydrophobicContact CE1-CB 4.47Å; Y1125-L1127 HydrophobicContact CE1-CD1 3.4Å; Y1125-L1127 HydrophobicContact CE1-CG 3.54Å; Y1125-L1127 PolarHBondContact O-N 3.32Å
1126E57.8Low61.6Low106 Ų106110.9 Ų110.950%0.49558%0.578SS.*  trans-75.880176-64.8-146.5169.600111.3G1128E1126-G1128 PolarHBondContact O-N 3.33Å
1127L49.9Very low59Low143 Ų143119.5 Ų119.575%0.74962%0.618SS**  trans-67.880.9169.4-108179.3000111.1Y1125Y1125-L1127 VanDerWaalsContact C-N 3.29Å; Y1125-L1127 HydrophobicContact CD1-CD1 4.13Å; Y1125-L1127 HydrophobicContact CD1-CG 4.13Å; Y1125-L1127 HydrophobicContact CE1-CB 4.47Å; Y1125-L1127 HydrophobicContact CE1-CD1 3.4Å; Y1125-L1127 HydrophobicContact CE1-CG 3.54Å; Y1125-L1127 PolarHBondContact O-N 3.32Å
1128G36.1Very low56.4Low56 Ų56120.9 Ų120.958%0.57763%0.63SS**SBendtrans103.3120.216900000114.2E1126E1126-G1128 PolarHBondContact O-N 3.33Å
1129A33.9Very low54Low90 Ų90123.6 Ų123.674%0.74464%0.64SS**  trans-60.1131.5170.200000110.6G1131A1129-G1131 PolarHBondContact O-N 2.74Å
1130P38Very low51.8Low138 Ų138129.6 Ų129.690%0.89666%0.663SS**SBendtrans-77.961.7-179.432.4-36.3000112
1131G42.9Very low49.2Very low55 Ų55133 Ų13357%0.56767%0.67SS**  trans-140.9137.5178.800000112.1A1129A1129-G1131 PolarHBondContact O-N 2.74Å
1132K43.6Very low46.7Very low212 Ų212139.2 Ų139.292%0.92271%0.709SS**SBendtrans81.126.2178.7-49.5174.2-178.1174.70118.1
1133Q37.5Very low44.3Very low205 Ų205144.4 Ų144.496%0.95873%0.728SS**SBendtrans-117.610.6159.5-71.9-161.6-3.800114.8
1134A34.9Very low41.7Very low107 Ų107151.3 Ų151.388%0.88476%0.758SS**SBendtrans-100.51.4179.900000115
1135E37.9Very low39.5Very low184 Ų184151.8 Ų151.886%0.8677%0.774SS**  trans-133.554.5-170.8-159.6172.1-155.300113.7
1136R35.9Very low37.4Very low233 Ų233151.4 Ų151.488%0.87979%0.787SS**  trans-142.475.6163.4-75-166.1175.9-173.7-0.8111.6
1137H33.2Very low36.6Very low181 Ų181156 Ų15684%0.83881%0.806SS**  trans-174.280.6146.9-95128.5000113.1
1138V34.7Very low35.9Very low133 Ų133160.7 Ų160.781%0.80681%0.813SS**  trans-134.992.8154.9-176.60000108.9
1139R32.1Very low35.8Very low207 Ų207171.4 Ų171.478%0.78184%0.844SS**  trans-69.2127.9169.8-88.7178.9166.6153.4-4.4109.7
1140R34.7Very low35.9Very low234 Ų234175.5 Ų175.588%0.88385%0.849SS**  trans-13299.2156.6-76.9-165.4174.1-149.3-0.9110
1141H29.9Very low35.7Very low156 Ų156177.4 Ų177.472%0.72285%0.846SS**  trans-84.3133.1166.2-68.4-81.4000110
1142T35.1Very low35.3Very low143 Ų143184.2 Ų184.288%0.87786%0.862SS**  trans-120.7158.3154.146.50000109.1
1143K33.9Very low34.9Very low193 Ų193182.6 Ų182.684%0.83986%0.858SS**  trans-113.1169.4-158.8-59.8179.3178.4-178.30113
1144K32.3Very low34.7Very low194 Ų194181.2 Ų181.284%0.84385%0.852SS**  trans90.5157.5159.1-58.5-178.6-179.4-178.20116.4
1145P40.4Very low34.7Very low108 Ų108186.1 Ų186.170%0.70185%0.85SS**  cis-143.1169.1-37.338.6-22000116.2
1146S31.3Very low34.5Very low101 Ų101186.3 Ų186.371%0.70685%0.849SS**  trans49.3108.9142.963.80000122.4
1147K40.4Very low34.3Very low204 Ų204182.7 Ų182.789%0.88785%0.847SS**  36.9143.2123.4-69.4-168.6174.2-171.70121.6
1148R35Very low34.4Very low240 Ų240182.8 Ų182.891%0.90685%0.848SS**  trans98.4138.7168.4-62.7173.7167.2177.6-4.1113.1
1149K33.5Very low34.4Very low281 Ų281187.4 Ų187.4100%1.22285%0.852SS**  cis-96.30-4-82.8-177.6175.1177.20111.5

Retrieved 1,149 of 1,149 residues in 411.2 ms (Link to these results)