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Prion-like protein doppel

Required for normal acrosome reaction and for normal male fertility1,2,3. Can bind Cu(2+) (By similarity).

AlphaFold DB , UniProt , Accession Q9QUG3, Species MOUSE (Mus musculus, Mouse), Gene Prnd, Length 179 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
1M48.5Very low66.2Low240 Ų240131.8 Ų131.8100%1.18264%0.635SS**  037.30-64.2168.374.200112.9
2K60.2Low67.1Low193 Ų193125.4 Ų125.484%0.83961%0.606SS**  trans-104.8-0.5-167.3-125.2171.4172.7178.80115.3
3N59.8Low68Low138 Ų138124.1 Ų124.174%0.73860%0.603SS**SBendtrans-100.3-9.4-169.7-58.14.8000114T7N3-T7 PolarHBondContact O-OG1 3.22Å
4R61.9Low68.4Low221 Ų221117.8 Ų117.883%0.83458%0.577SS**Hα-helixtrans-73.8-27.8-177.4-74.9-168174.9-154.3-0.7114.1W8R4-W8 PolarHBondContact O-N 3.1Å
5L64.7Low69Low118 Ų118119 Ų11962%0.61858%0.583SS**Hα-helixtrans-68.6-39.1179.4-89.6109.5000112.2W8 W9L5-W8 PolarHBondContact O-N 3.11Å; L5-W9 PolarHBondContact O-N 3.17Å
6G67.8Low69.4Low46 Ų46117.3 Ų117.347%0.47458%0.577SS.*Hα-helixtrans-63.3-45.6179.200000112.3W8 W9 V10G6-W8 VanDerWaalsContact C-N 3.31Å; G6-W8 PolarHBondContact O-N 3.45Å; G6-W9 PolarHBondContact O-N 3.41Å; G6-V10 WeakPolarHBondContact O-CG2 3.47Å; G6-V10 PolarHBondContact O-N 2.9Å
7T67Low69.5Low45 Ų45116.7 Ų116.728%0.27658%0.576SS.*Hα-helixtrans-63.7-37.2179.2-42.70000112.2N3 V10 A11N3-T7 PolarHBondContact O-OG1 3.22Å; T7-V10 PolarHBondContact O-N 2.96Å; T7-A11 PolarHBondContact O-N 3.49Å; T7-A11 VanDerWaalsContact O-N 3.08Å
8W72.8Confident69.4Low169 Ų169113.2 Ų113.264%0.6457%0.568SS**Hα-helixtrans-68.7-39.4179.6-167.648.5000112.4R4 L5 G6 A11 I12R4-W8 PolarHBondContact O-N 3.1Å; L5-W8 PolarHBondContact O-N 3.11Å; G6-W8 VanDerWaalsContact C-N 3.31Å; G6-W8 PolarHBondContact O-N 3.45Å; W8-A11 PolarHBondContact O-N 3.25Å; W8-I12 HydrophobicContact CD2-CD1 3.9Å; W8-I12 HydrophobicContact CE3-CD1 4.25Å; W8-I12 HydrophobicContact CG-CD1 4.34Å; W8-I12 HydrophobicContact CH2-CD1 4.39Å; W8-I12 HydrophobicContact CZ2-CD1 4.04Å; W8-I12 HydrophobicContact CZ3-CD1 4.48Å; W8-I12 WeakPolarHBondContact O-CG1 3.5Å; W8-I12 PolarHBondContact O-N 3.22Å
9W76Confident69.1Low168 Ų168110.7 Ų110.764%0.63656%0.563SS**Hα-helixtrans-63.6-41174.5-83.9110.1000112.9L5 G6 A11 I12 L13L5-W9 PolarHBondContact O-N 3.17Å; G6-W9 PolarHBondContact O-N 3.41Å; W9-A11 VanDerWaalsContact C-N 3.35Å; W9-I12 PolarHBondContact O-N 3.45Å; W9-L13 WeakPolarHBondContact O-CB 3.48Å; W9-L13 PolarHBondContact O-N 3.12Å
10V74.7Confident68.6Low79 Ų79111.9 Ų111.948%0.47957%0.566SS.*Hα-helixtrans-64.5-40.7176.4177.80000111G6 T7 L13 C14 F173G6-V10 WeakPolarHBondContact O-CG2 3.47Å; G6-V10 PolarHBondContact O-N 2.9Å; T7-V10 PolarHBondContact O-N 2.96Å; V10-L13 PolarHBondContact O-N 3.4Å; V10-C14 PolarHBondContact O-N 3.28Å; V10-F173 HydrophobicContact CB-CE1 4.36Å; V10-F173 HydrophobicContact CG1-CE1 3.82Å; V10-F173 HydrophobicContact CG1-CZ 3.87Å
11A74.3Confident68Low33 Ų33113 Ų11327%0.27357%0.573SS.*Hα-helixtrans-62-44.6176.200000112.2T7 W8 W9 C14 M15 F173T7-A11 PolarHBondContact O-N 3.49Å; T7-A11 VanDerWaalsContact O-N 3.08Å; W8-A11 PolarHBondContact O-N 3.25Å; W9-A11 VanDerWaalsContact C-N 3.35Å; A11-C14 PolarHBondContact O-N 3.21Å; A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 2.93Å; A11-F173 HydrophobicContact CB-CE1 3.95Å; A11-F173 HydrophobicContact CB-CZ 4.39Å
12I78Confident68.3Low55 Ų55105.8 Ų105.828%0.28255%0.546SS..Hα-helixtrans-62.7-44.1177-67.4165.8000110.7W8 W9 C14 M15 L16W8-I12 HydrophobicContact CD2-CD1 3.9Å; W8-I12 HydrophobicContact CE3-CD1 4.25Å; W8-I12 HydrophobicContact CG-CD1 4.34Å; W8-I12 HydrophobicContact CH2-CD1 4.39Å; W8-I12 HydrophobicContact CZ2-CD1 4.04Å; W8-I12 HydrophobicContact CZ3-CD1 4.48Å; W8-I12 WeakPolarHBondContact O-CG1 3.5Å; W8-I12 PolarHBondContact O-N 3.22Å; W9-I12 PolarHBondContact O-N 3.45Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 2.73Å; I12-M15 PolarHBondContact O-N 3.49Å; I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.28Å; I12-L16 PolarHBondContact O-N 3.3Å
13L78.6Confident67.9Low108 Ų108101.8 Ų101.857%0.56554%0.537SS*.Hα-helixtrans-60.9-43.3178.8-168.971.9000111.7W9 V10 L16 L17W9-L13 WeakPolarHBondContact O-CB 3.48Å; W9-L13 PolarHBondContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-L17 HydrophobicContact CG-CD1 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å
14C73.6Confident67.5Low36 Ų36101.1 Ų101.124%0.24354%0.538CS..Hα-helixtrans-65.3-41175.8-76.70000112.7V10 A11 I12 L17 A18 F173V10-C14 PolarHBondContact O-N 3.28Å; A11-C14 PolarHBondContact O-N 3.21Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 2.73Å; C14-L17 PolarHBondContact O-N 3.24Å; C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.3Å; C14-F173 HydrophobicContact CB-CE2 3.82Å; C14-F173 HydrophobicContact CB-CZ 3.74Å; C14-F173 VanDerWaalsContact SG-CZ 3.53Å
15M76.9Confident67Low136 Ų13698.7 Ų98.767%0.6753%0.534SS*.Hα-helixtrans-63.6-41.5176.5-70.8-68.4-88.300111.5A11 I12 A18 S19A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 2.93Å; I12-M15 PolarHBondContact O-N 3.49Å; M15-A18 PolarHBondContact O-N 3.28Å; M15-S19 WeakPolarHBondContact O-CB 3.38Å; M15-S19 PolarHBondContact O-N 2.89Å; M15-S19 PolarHBondContact O-OG 2.98Å
16L74.9Confident66.3Low92 Ų9297.5 Ų97.548%0.48254%0.541SS..Hα-helixtrans-63.5-45.2176.7-74168.2000111.8I12 L13 A18 S19 H20I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.28Å; I12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 3.01Å; L16-A18 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 3.48Å; L16-H20 PolarHBondContact O-CD2 3.28Å; L16-H20 VanDerWaalsContact O-CD2 3.32Å; L16-H20 PolarHBondContact O-N 3.04Å; L16-H20 VanDerWaalsContact O-N 3.09Å
17L72.1Confident65.5Low107 Ų107107.2 Ų107.256%0.5656%0.563SS**Hα-helixtrans-61.7-41.9176.8-74.7163.4000112.1L13 C14 S19 L21L13-L17 HydrophobicContact CG-CD1 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å; C14-L17 PolarHBondContact O-N 3.24Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 3.22Å
18A67.2Low64.5Low53 Ų53108 Ų10844%0.43858%0.58SS.*Hα-helixtrans-67.1-33.5176.600000112.9C14 M15 L16 S22C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.3Å; M15-A18 PolarHBondContact O-N 3.28Å; L16-A18 PolarHBondContact O-N 3.47Å; A18-S22 PolarHBondContact O-N 2.78Å; A18-S22 PolarHBondContact O-OG 3.05Å
19S64.5Low63.3Low66 Ų66107.9 Ų107.946%0.46259%0.591SS.*Hα-helixtrans-69.6-41.3179.2-55.80000112.2M15 L16 L17 L21 S22 T23M15-S19 WeakPolarHBondContact O-CB 3.38Å; M15-S19 PolarHBondContact O-N 2.89Å; M15-S19 PolarHBondContact O-OG 2.98Å; L16-S19 PolarHBondContact O-N 3.48Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.84Å; S19-S22 PolarHBondContact O-N 3.15Å; S19-T23 PolarHBondContact O-N 3.31Å; S19-T23 PolarHBondContact O-OG1 2.89Å
20H58.7Low62Low135 Ų135109.4 Ų109.463%0.62560%0.601SS**Hα-helixtrans-67.9-29.6177.7-85.2-75.4000113L16 T23L16-H20 PolarHBondContact O-CD2 3.28Å; L16-H20 VanDerWaalsContact O-CD2 3.32Å; L16-H20 PolarHBondContact O-N 3.04Å; L16-H20 VanDerWaalsContact O-N 3.09Å; H20-T23 PolarHBondContact O-OG1 3.13Å
21L56.9Low60.9Low135 Ų135113.1 Ų113.171%0.70761%0.613SS**Hα-helixtrans-76.9-25176.2-67.9169.3000112.7L17 S19L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 3.22Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.84Å
22S54.4Low59.5Low89 Ų89122.9 Ų122.962%0.62264%0.643SS**Hα-helixtrans-80.4-29.4179.2-67.60000113.5A18 S19 V24A18-S22 PolarHBondContact O-N 2.78Å; A18-S22 PolarHBondContact O-OG 3.05Å; S19-S22 PolarHBondContact O-N 3.15Å; S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 2.79Å
23T50.7Low58.5Low108 Ų108125.3 Ų125.366%0.66365%0.652SS**G310 helixtrans-76.5-12.9-176.546.90000114.4S19 H20S19-T23 PolarHBondContact O-N 3.31Å; S19-T23 PolarHBondContact O-OG1 2.89Å; H20-T23 PolarHBondContact O-OG1 3.13Å
24V51.7Low57.5Low125 Ų125128.5 Ų128.576%0.75866%0.661SS**G310 helixtrans-82.6-12.4177.9-176.90000112.8S22S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 2.79Å
25K51.5Low56.7Low170 Ų170132.2 Ų132.274%0.73967%0.67SS**G310 helixtrans-91.26.6-170-107.2174-177.3164.10117
26A51Low55.3Low92 Ų92132 Ų13276%0.7667%0.671SS**G310 helixtrans-99.41.1-170.600000116.8
27R49.2Very low54.3Low251 Ų251136.6 Ų136.695%0.94768%0.683SS**  trans-112.669.6178.7-73.9-174.5179.3174.30.4112.6
28G46.7Very low53Low62 Ų62141.2 Ų141.264%0.63970%0.698SS**  trans-12793168.100000109.9K30G28-K30 PolarHBondContact O-N 3.38Å
29I47.5Very low52.2Low166 Ų166145.1 Ų145.185%0.85172%0.716SS**  trans-64.396.4175.5-62.2169.3000107.9H31I29-H31 PolarHBondContact O-N 3.06Å
30K49.2Very low51.6Low199 Ų199149.3 Ų149.387%0.86573%0.733SS**  trans-80.4102.4168.8-82.1-175.3175-177.30108.6G28 R32G28-K30 PolarHBondContact O-N 3.38Å; K30-R32 PolarHBondContact O-N 3.12Å; K30-R32 VanDerWaalsContact O-N 3.1Å
31H50.8Low50.9Low158 Ų158148.1 Ų148.173%0.73174%0.737SS**  trans-63.2108.3162.9-123.7-95.5000108.3I29 F33I29-H31 PolarHBondContact O-N 3.06Å; H31-F33 PolarHBondContact O-N 3.26Å; H31-F33 VanDerWaalsContact O-N 3.09Å
32R45.1Very low50.3Low237 Ų237148 Ų14889%0.89475%0.747SS**  trans-82.583.7-176.6-163.3-178.8-167.9-176.44.2109.4K30 K34K30-R32 PolarHBondContact O-N 3.12Å; K30-R32 VanDerWaalsContact O-N 3.1Å; R32-K34 PolarHBondContact O-N 3.22Å; R32-K34 VanDerWaalsContact O-N 3.16Å
33F57.3Low49.7Very low106 Ų106148.5 Ų148.547%0.46575%0.751SS.*  trans-68.7106166.7-91.7-84.7000109.6H31 W35 D68 I69H31-F33 PolarHBondContact O-N 3.26Å; H31-F33 VanDerWaalsContact O-N 3.09Å; F33-W35 PolarHBondContact O-N 3.24Å; F33-D68 WeakPolarHBondContact CE1-O 3.31Å; F33-I69 HydrophobicContact CE1-CG1 4.45Å
34K57.3Low49.2Very low176 Ų176147.7 Ų147.777%0.76576%0.764SS**  trans-8180.6178.6-169.1-179.1179.5-1760110R32 N36R32-K34 PolarHBondContact O-N 3.22Å; R32-K34 VanDerWaalsContact O-N 3.16Å; K34-N36 PolarHBondContact O-N 2.79Å
35W58.2Low48.5Very low114 Ų114143.8 Ų143.843%0.43275%0.749SS.*  trans-73.9100165.9-96.278.7000109.5F33 R37 R65 D88F33-W35 PolarHBondContact O-N 3.24Å; W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 HydrophobicContact CE3-CG 4.41Å; W35-R37 PolarHBondContact O-N 3.32Å; W35-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W35-D88 WeakPolarHBondContact CH2-O 3.34Å; W35-D88 WeakPolarHBondContact CZ2-O 3.28Å
36N47.6Very low48.1Very low130 Ų130144.6 Ų144.670%0.69576%0.756SS**  trans-68.988.5167-106.8-14.5000108.9K34K34-N36 PolarHBondContact O-N 2.79Å
37R52.6Low48Very low190 Ų190146.3 Ų146.372%0.71775%0.75SS**  trans-86109.5165.2-77.6-170.6-163168.87.2109.1W35W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 HydrophobicContact CE3-CG 4.41Å; W35-R37 PolarHBondContact O-N 3.32Å
38K45.7Very low48.3Very low204 Ų204138.4 Ų138.489%0.88773%0.73SS**  trans-80.7120.4145.9-68.3-173.3-179.3-172.90105.9L40K38-L40 PolarHBondContact O-N 3.42Å
39V49.3Very low48.6Very low135 Ų135143.8 Ų143.882%0.81874%0.739SS**  trans-65.6114.4172.4178.40000106.7
40L52.9Low49Very low154 Ų154139 Ų13981%0.80672%0.724SS**  trans-75.5133.3173.9-150.774.2000107.8K38 S42K38-L40 PolarHBondContact O-N 3.42Å; L40-S42 PolarHBondContact O-N 2.81Å
41P42.6Very low49.4Very low109 Ų109135.5 Ų135.571%0.70871%0.706SS**  trans-65.7127.2179.3-3.314.9000109.2S43P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.93Å
42S45.9Very low49.7Very low133 Ų133132 Ų13293%0.9370%0.695SS**  trans-68.391.4171.7-153.10000108.2L40L40-S42 PolarHBondContact O-N 2.81Å
43S41.5Very low50.6Low100 Ų100123.3 Ų123.370%0.69967%0.674SS**  trans-90.7111.1177.1-159.20000109.1P41 G45P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.93Å; S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 2.77Å
44G39.5Very low51Low90 Ų90123.9 Ų123.993%0.92868%0.678SS**  trans-67.679.9-179.500000113.3
45G37.4Very low52Low44 Ų44119.6 Ų119.645%0.45466%0.664SS.*  trans-129.2124.517000000109.8S43S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 2.77Å
46Q42Very low53.4Low187 Ų187119.2 Ų119.287%0.87466%0.662SS**  trans3.7114172.9-69.5177-18.100116.2T48Q46-T48 PolarHBondContact O-N 3.34Å
47I49.7Very low55.5Low127 Ų127117.1 Ų117.165%0.65166%0.655SS**  trans-68.999.4177.5-49.5175.2000108.3R51 V52I47-R51 HydrophobicContact CG2-CB 4Å; I47-V52 HydrophobicContact CG2-CG2 3.44Å; I47-V52 VanDerWaalsContact CG2-CG2 3.44Å
48T54.6Low57.3Low85 Ų85108 Ų10852%0.52162%0.621SS.*  trans-67.4148.7168.240.20000110Q46 A50 R51 V52Q46-T48 PolarHBondContact O-N 3.34Å; T48-A50 PolarHBondContact O-N 3.08Å; T48-R51 WeakPolarHBondContact O-CA 3.09Å; T48-R51 WeakPolarHBondContact O-CB 3.49Å; T48-R51 PolarHBondContact O-N 3.02Å; T48-V52 PolarHBondContact O-N 3.23Å
49E53.6Low59.6Low175 Ų17598.4 Ų98.482%0.81858%0.58SS**Hα-helixtrans-51.7-31.6-178.9-166.2173.1179.100113V52 A53E49-V52 WeakPolarHBondContact O-CB 3.37Å; E49-V52 PolarHBondContact O-N 2.96Å; E49-A53 PolarHBondContact O-N 3.38Å
50A55.2Low61.7Low67 Ų6793.1 Ų93.155%0.55455%0.546SS*.Hα-helixtrans-60.7-42.7171.600000113.4T48 A53 E54T48-A50 PolarHBondContact O-N 3.08Å; A50-A53 PolarHBondContact O-N 3.29Å; A50-E54 WeakPolarHBondContact O-CG 3.39Å; A50-E54 PolarHBondContact O-N 3.05Å
51R57.9Low63.5Low125 Ų12588.8 Ų88.847%0.47252%0.523SS..Hα-helixtrans-70.8-31.3174.6-80.3-173.9173.4-177.9-1.8112.5I47 T48 A53 E54 N55I47-R51 HydrophobicContact CG2-CB 4Å; T48-R51 WeakPolarHBondContact O-CA 3.09Å; T48-R51 WeakPolarHBondContact O-CB 3.49Å; T48-R51 PolarHBondContact O-N 3.02Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-E54 PolarHBondContact O-N 3.41Å; R51-N55 WeakPolarHBondContact O-CB 3.44Å; R51-N55 PolarHBondContact O-N 3.49Å; R51-N55 VanDerWaalsContact O-N 3.09Å; R51-N55 PolarHBondContact O-ND2 2.69Å
52V57.8Low65.7Low84 Ų8488 Ų8851%0.50951%0.508SS..Hα-helixtrans-62.7-42.6173.7-175.20000110I47 T48 E49 E54 N55 R56I47-V52 HydrophobicContact CG2-CG2 3.44Å; I47-V52 VanDerWaalsContact CG2-CG2 3.44Å; T48-V52 PolarHBondContact O-N 3.23Å; E49-V52 WeakPolarHBondContact O-CB 3.37Å; E49-V52 PolarHBondContact O-N 2.96Å; V52-E54 VanDerWaalsContact C-N 3.31Å; V52-E54 PolarHBondContact O-N 3Å; V52-N55 PolarHBondContact O-N 3.49Å; V52-R56 PolarHBondContact O-N 2.91Å
53A63.5Low67.8Low54 Ų5487.6 Ų87.645%0.44649%0.491SS..Hα-helixtrans-66.6-29.8177.600000113.2E49 A50 R51 R56E49-A53 PolarHBondContact O-N 3.38Å; A50-A53 PolarHBondContact O-N 3.29Å; R51-A53 VanDerWaalsContact C-N 3.3Å; A53-R56 WeakPolarHBondContact O-CD 3.4Å; A53-R56 VanDerWaalsContact O-CG 3.3Å; A53-R56 WeakPolarHBondContact O-CG 3.17Å; A53-R56 PolarHBondContact O-NE 3.28Å
54E67Low70Confident118 Ų11884.3 Ų84.355%0.55147%0.473SS*.Hα-helixtrans-76.3-28.4175-71.5179.1175.300113.2A50 R51 V52 A59A50-E54 WeakPolarHBondContact O-CG 3.39Å; A50-E54 PolarHBondContact O-N 3.05Å; R51-E54 PolarHBondContact O-N 3.41Å; V52-E54 VanDerWaalsContact C-N 3.31Å; V52-E54 PolarHBondContact O-N 3Å; E54-A59 WeakPolarHBondContact O-CB 3.49Å
55N77.6Confident72.4Confident87 Ų8784.3 Ų84.347%0.46545%0.445SS..THydrogen-bonded Turntrans-94.710.6-177.7-69.3-20.3000114R51 V52 Y91R51-N55 WeakPolarHBondContact O-CB 3.44Å; R51-N55 PolarHBondContact O-N 3.49Å; R51-N55 VanDerWaalsContact O-N 3.09Å; R51-N55 PolarHBondContact O-ND2 2.69Å; V52-N55 PolarHBondContact O-N 3.49Å; N55-Y91 VanDerWaalsContact C-CD1 3.48Å; N55-Y91 HydrophobicContact CB-CE1 4.35Å; N55-Y91 VanDerWaalsContact O-CD1 3.31Å; N55-Y91 WeakPolarHBondContact O-CD1 3.44Å; N55-Y91 WeakPolarHBondContact O-CE1 3.2Å
56R87.4Confident75.1Confident106 Ų10688.2 Ų88.240%0.445%0.45SS..SBendtrans-73.5137.2171.666.6-171.4174.3166.87.2110.1V52 A53 G58 A59 Y91 A116 N117V52-R56 PolarHBondContact O-N 2.91Å; A53-R56 WeakPolarHBondContact O-CD 3.4Å; A53-R56 VanDerWaalsContact O-CG 3.3Å; A53-R56 WeakPolarHBondContact O-CG 3.17Å; A53-R56 PolarHBondContact O-NE 3.28Å; R56-G58 PolarHBondContact O-N 3.5Å; R56-G58 VanDerWaalsContact O-N 3.14Å; R56-A59 HydrophobicContact CG-CB 3.66Å; R56-A59 VanDerWaalsContact O-CB 3.29Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å; R56-A59 PolarHBondContact O-N 3.33Å; R56-Y91 WeakPolarHBondContact O-CD1 3.47Å; R56-A116 HydrophobicContact CG-CB 4.33Å; R56-A116 PolarHBondContact NH1-O 3.36Å; R56-A116 PolarHBondContact NH2-O 3.09Å; R56-N117 PolarHBondContact NH2-OD1 2.86Å; R56-N117 VanDerWaalsContact NH2-OD1 3.09Å
57P91Very high77.4Confident85 Ų8580.6 Ų80.655%0.55242%0.415SS*.THydrogen-bonded Turntrans-55.1122.4174.5-25.333.9000111.1Y92P57-Y92 HydrophobicContact CB-CD2 4.28Å
58G91.8Very high79.5Confident0 Ų081.6 Ų81.60%042%0.422CS..THydrogen-bonded Turntrans95.3-2.3-174.700000115.3R56 Y91 N117R56-G58 PolarHBondContact O-N 3.5Å; R56-G58 VanDerWaalsContact O-N 3.14Å; G58-Y91 PolarHBondContact N-O 2.89Å; G58-N117 PolarHBondContact O-ND2 3.1Å
59A92.9Very high81.3Confident2 Ų278.6 Ų78.62%0.01740%0.402CS..EExtended strand (participates in β ladder)trans-61.3141-179.500000112.7E54 R56 I90 Y91E54-A59 WeakPolarHBondContact O-CB 3.49Å; R56-A59 HydrophobicContact CG-CB 3.66Å; R56-A59 VanDerWaalsContact O-CB 3.29Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å; R56-A59 PolarHBondContact O-N 3.33Å; A59-I90 WeakPolarHBondContact O-CA 3.32Å; A59-Y91 PolarHBondContact O-N 3.45Å
60F93.3Very high83.3Confident23 Ų2375.7 Ų75.710%0.10139%0.392CS..EExtended strand (participates in β ladder)trans-72.3130.6169.8-70.3-23.1000111.7K62 P87 T113 N117 E120 F121 L135 I139F60-K62 HydrophobicContact CB-CG 4.24Å; F60-P87 HydrophobicContact CB-CB 3.94Å; F60-P87 HydrophobicContact CD1-CB 3.68Å; F60-P87 HydrophobicContact CD1-CG 3.74Å; F60-P87 HydrophobicContact CE1-CB 4.32Å; F60-P87 HydrophobicContact CE1-CG 3.86Å; F60-P87 HydrophobicContact CG-CB 3.84Å; F60-P87 HydrophobicContact CG-CG 4.14Å; F60-P87 HydrophobicContact CZ-CG 4.37Å; F60-T113 HydrophobicContact CD1-CG2 4.11Å; F60-T113 HydrophobicContact CE1-CG2 3.42Å; F60-T113 VanDerWaalsContact CE1-CG2 3.42Å; F60-T113 HydrophobicContact CZ-CG2 4.25Å; F60-N117 HydrophobicContact CD2-CB 4.11Å; F60-N117 HydrophobicContact CE1-CB 4.48Å; F60-N117 HydrophobicContact CE2-CB 3.71Å; F60-N117 HydrophobicContact CZ-CB 3.91Å; F60-E120 HydrophobicContact CD2-CG 4.21Å; F60-E120 HydrophobicContact CE2-CB 4.04Å; F60-E120 HydrophobicContact CE2-CG 3.94Å; F60-F121 HydrophobicContact CZ-CE2 4.29Å; F60-L135 HydrophobicContact CZ-CD1 4.16Å; F60-I139 HydrophobicContact CE1-CD1 3.9Å; F60-I139 HydrophobicContact CE1-CG1 4.24Å; F60-I139 HydrophobicContact CZ-CD1 3.98Å
61I90.7Very high85.1Confident63 Ų6374 Ų7432%0.32337%0.372SS..EExtended strand (participates in β ladder)trans-98.9104.5168.6-56.2172.3000106.3Q63 D88 G89I61-Q63 HydrophobicContact CG2-CG 4.02Å; I61-D88 WeakPolarHBondContact O-CB 3.26Å; I61-D88 PolarHBondContact O-N 3.14Å; I61-G89 WeakPolarHBondContact CB-O 3.07Å; I61-G89 PolarHBondContact N-O 2.88Å; I61-G89 PolarHBondContact O-N 2.98Å
62K89.8Confident86.8Confident94 Ų9469.5 Ų69.541%0.40937%0.365SS..  trans-105.888.2-179.9-60.4-169.2-173.4-171.30110.3F60 Q85 E120F60-K62 HydrophobicContact CB-CG 4.24Å; K62-Q85 PolarHBondContact NZ-O 3.39Å; K62-E120 IonicContact NZ-OE1 2.69Å; K62-E120 PolarHBondContact NZ-OE1 3.17Å
63Q88.5Confident88.6Confident123 Ų12369.3 Ų69.358%0.57537%0.372SS*.  trans-90.5-10.9172.9-66.5175.5-300112.7I61 R65 D88I61-Q63 HydrophobicContact CG2-CG 4.02Å; Q63-R65 HydrophobicContact CB-CG 4.16Å; Q63-D88 VanDerWaalsContact CA-OD2 3.28Å; Q63-D88 WeakPolarHBondContact CA-OD2 3.28Å; Q63-D88 HydrophobicContact CB-CB 4.35Å; Q63-D88 PolarHBondContact N-OD2 2.67Å
64G88.2Confident90Very high31 Ų3171.7 Ų71.732%0.3237%0.374SS..  trans75.525.6178.900000113.9Y83 D88G64-Y83 VanDerWaalsContact O-CE2 3.32Å; G64-Y83 WeakPolarHBondContact O-CE2 3.5Å; G64-D88 PolarHBondContact N-OD2 2.89Å
65R90.8Very high91.3Very high91 Ų9166.3 Ų66.334%0.34335%0.35SS..PPolyproline II helixtrans-89.2142.7175.7-41.3174.1-66.4-179.2-0.6109.3W35 Q63 L67 D88W35-R65 VanDerWaalsContact CZ3-NH2 3.34Å; Q63-R65 HydrophobicContact CB-CG 4.16Å; R65-L67 PolarHBondContact O-N 3.24Å; R65-D88 WeakPolarHBondContact CA-OD1 3.45Å; R65-D88 WeakPolarHBondContact CB-OD1 3.33Å; R65-D88 WeakPolarHBondContact CG-OD1 3.31Å; R65-D88 PolarHBondContact N-OD1 2.05Å; R65-D88 PolarHBondContact N-OD2 3.27Å; R65-D88 IonicContact NE-OD1 3.36Å; R65-D88 PolarHBondContact NE-OD1 3.48Å
66K92.7Very high92.1Very high125 Ų12564.8 Ų64.854%0.54334%0.342SS..PPolyproline II helixtrans-79.3119.1174.2-171.7176.6177.6179.50109.3Y79 Y83K66-Y79 HydrophobicContact CG-CE1 4.03Å; K66-Y83 HydrophobicContact CB-CD1 4.48Å; K66-Y83 HydrophobicContact CB-CD2 3.99Å; K66-Y83 HydrophobicContact CB-CE2 4.41Å; K66-Y83 HydrophobicContact CB-CG 4.04Å; K66-Y83 HydrophobicContact CD-CD1 4.36Å; K66-Y83 HydrophobicContact CG-CD1 4.44Å; K66-Y83 HydrophobicContact CG-CG 4.2Å
67L92.1Very high92.4Very high28 Ų2868.5 Ų68.515%0.14736%0.356CS..PPolyproline II helixtrans-84.3149.3174.6-59.1178.4000110.8R65 I69 Y79 L138 I142R65-L67 PolarHBondContact O-N 3.24Å; L67-I69 HydrophobicContact CB-CD1 4.04Å; L67-I69 HydrophobicContact CB-CG1 4.42Å; L67-I69 HydrophobicContact CD1-CD1 4.19Å; L67-I69 PolarHBondContact O-N 2.99Å; L67-Y79 WeakPolarHBondContact CB-OH 3.45Å; L67-Y79 PolarHBondContact N-OH 3.33Å; L67-Y79 WeakPolarHBondContact O-CE1 3.34Å; L67-L138 HydrophobicContact CD1-CD1 3.62Å; L67-I142 HydrophobicContact CD1-CD1 4.24Å; L67-I142 HydrophobicContact CD1-CG1 4.43Å
68D93.2Very high92.6Very high148 Ų14866.9 Ų66.979%0.79134%0.339SS*.  trans-9683.5176.9-173.225.8000109.5F33F33-D68 WeakPolarHBondContact CE1-O 3.31Å
69I92.5Very high92.8Very high21 Ų2167.2 Ų67.211%0.10834%0.341CS..  trans-130.9134.3-178.8-67.8164.5000108.1F33 L67 F71 L138 E141F33-I69 HydrophobicContact CE1-CG1 4.45Å; L67-I69 HydrophobicContact CB-CD1 4.04Å; L67-I69 HydrophobicContact CB-CG1 4.42Å; L67-I69 HydrophobicContact CD1-CD1 4.19Å; L67-I69 PolarHBondContact O-N 2.99Å; I69-F71 HydrophobicContact CB-CE1 4.38Å; I69-F71 HydrophobicContact CB-CE2 3.88Å; I69-F71 HydrophobicContact CB-CZ 3.76Å; I69-F71 HydrophobicContact CG2-CD1 4.17Å; I69-F71 HydrophobicContact CG2-CD2 4.42Å; I69-F71 HydrophobicContact CG2-CE1 3.71Å; I69-F71 HydrophobicContact CG2-CE2 3.98Å; I69-F71 HydrophobicContact CG2-CZ 3.61Å; I69-F71 VanDerWaalsContact O-CD2 3.24Å; I69-F71 WeakPolarHBondContact O-CD2 3.46Å; I69-F71 WeakPolarHBondContact O-CE2 3.24Å; I69-L138 HydrophobicContact CD1-CD1 3.31Å; I69-E141 HydrophobicContact CD1-CB 3.93Å; I69-E141 HydrophobicContact CD1-CG 4.47Å; I69-E141 HydrophobicContact CG1-CB 4.47Å; I69-E141 HydrophobicContact CG2-CG 3.89Å
70D94.3Very high92.8Very high114 Ų11469 Ų6961%0.6136%0.356SS*.  trans-85.2114.8174.3-173.619.8000111.3G72 N76D70-G72 PolarHBondContact OD1-N 2.82Å; D70-N76 PolarHBondContact OD1-ND2 2.89Å
71F94.4Very high92.9Very high32 Ų3271.1 Ų71.114%0.1438%0.377CS..  trans-102.40.7175-54.5-79.6000112.5I69 N76 Y79 V134 R137 L138I69-F71 HydrophobicContact CB-CE1 4.38Å; I69-F71 HydrophobicContact CB-CE2 3.88Å; I69-F71 HydrophobicContact CB-CZ 3.76Å; I69-F71 HydrophobicContact CG2-CD1 4.17Å; I69-F71 HydrophobicContact CG2-CD2 4.42Å; I69-F71 HydrophobicContact CG2-CE1 3.71Å; I69-F71 HydrophobicContact CG2-CE2 3.98Å; I69-F71 HydrophobicContact CG2-CZ 3.61Å; I69-F71 VanDerWaalsContact O-CD2 3.24Å; I69-F71 WeakPolarHBondContact O-CD2 3.46Å; I69-F71 WeakPolarHBondContact O-CE2 3.24Å; F71-N76 WeakPolarHBondContact CA-OD1 3.48Å; F71-N76 WeakPolarHBondContact CB-OD1 3.39Å; F71-N76 PolarHBondContact N-OD1 2.72Å; F71-Y79 HydrophobicContact CD2-CD1 4.27Å; F71-Y79 HydrophobicContact CD2-CG 4.07Å; F71-Y79 AromaticContact CE2-CD1 3.56Å; F71-Y79 HydrophobicContact CE2-CD1 3.56Å; F71-Y79 AromaticContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CE1 4.03Å; F71-Y79 HydrophobicContact CE2-CE2 4.33Å; F71-Y79 AromaticContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CE2-CG 3.49Å; F71-Y79 VanDerWaalsContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CZ-CD1 4.43Å; F71-Y79 HydrophobicContact CZ-CD2 4.12Å; F71-Y79 HydrophobicContact CZ-CE2 4.32Å; F71-Y79 HydrophobicContact CZ-CG 4.18Å; F71-V134 HydrophobicContact CD1-CB 4.48Å; F71-V134 HydrophobicContact CD1-CG1 3.98Å; F71-V134 HydrophobicContact CD2-CG1 4.49Å; F71-V134 HydrophobicContact CE1-CG1 3.89Å; F71-V134 WeakPolarHBondContact CE1-O 3.49Å; F71-V134 HydrophobicContact CE2-CG1 4.41Å; F71-V134 HydrophobicContact CG-CG1 4.29Å; F71-V134 HydrophobicContact CZ-CG1 4.11Å; F71-R137 HydrophobicContact CD1-CB 3.85Å; F71-R137 HydrophobicContact CD1-CG 3.64Å; F71-R137 HydrophobicContact CE1-CB 4.09Å; F71-R137 HydrophobicContact CE1-CG 4Å; F71-L138 HydrophobicContact CE1-CB 3.95Å; F71-L138 HydrophobicContact CE1-CD1 4.47Å; F71-L138 HydrophobicContact CZ-CB 4.19Å; F71-L138 HydrophobicContact CZ-CD1 3.95Å
72G94.2Very high93Very high31 Ų3169.7 Ų69.732%0.3237%0.37SS..  trans84.3170.1-168.400000113.2D70 E74 G75 N76D70-G72 PolarHBondContact OD1-N 2.82Å; G72-E74 PolarHBondContact O-N 3.12Å; G72-G75 PolarHBondContact O-N 3.09Å; G72-N76 VanDerWaalsContact O-CB 3.27Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 3.47Å; G72-N76 PolarHBondContact O-OD1 2.91Å
73A93.6Very high93.2Very high79 Ų7969.2 Ų69.265%0.65337%0.366SS*.Hα-helixtrans-57-40.2-167.300000115.4R77A73-R77 WeakPolarHBondContact O-CG 3.29Å; A73-R77 PolarHBondContact O-NE 3.29Å
74E93.5Very high93.4Very high105 Ų10570.7 Ų70.749%0.49137%0.366SS..Hα-helixtrans-75.3-47.5177.4-170-172.8-168.900111.6G72 N76 R77 Y78 L130 R133G72-E74 PolarHBondContact O-N 3.12Å; E74-N76 VanDerWaalsContact C-N 3.33Å; E74-N76 PolarHBondContact O-N 2.93Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-Y78 PolarHBondContact O-N 2.87Å; E74-L130 HydrophobicContact CG-CD1 4.01Å; E74-L130 HydrophobicContact CG-CD2 3.87Å; E74-R133 IonicContact OE2-NH1 3.84Å
75G93.7Very high93.5Very high4 Ų471.8 Ų71.84%0.04136%0.363CS..Hα-helixtrans-62.7-37.7179.700000112.8G72 Y78 Y79G72-G75 PolarHBondContact O-N 3.09Å; G75-Y78 PolarHBondContact O-N 3.46Å; G75-Y79 WeakPolarHBondContact O-CB 3.24Å; G75-Y79 PolarHBondContact O-N 2.94Å
76N95.5Very high93.6Very high56 Ų5667.6 Ų67.630%0.29935%0.347SS..Hα-helixtrans-65.2-42.7178.1-69.4-12.2000111.6D70 F71 G72 E74 A80D70-N76 PolarHBondContact OD1-ND2 2.89Å; F71-N76 WeakPolarHBondContact CA-OD1 3.48Å; F71-N76 WeakPolarHBondContact CB-OD1 3.39Å; F71-N76 PolarHBondContact N-OD1 2.72Å; G72-N76 VanDerWaalsContact O-CB 3.27Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 3.47Å; G72-N76 PolarHBondContact O-OD1 2.91Å; E74-N76 VanDerWaalsContact C-N 3.33Å; E74-N76 PolarHBondContact O-N 2.93Å; N76-A80 WeakPolarHBondContact O-CB 3.39Å; N76-A80 PolarHBondContact O-N 2.92Å
77R94.7Very high93.7Very high183 Ų18361.7 Ų61.769%0.69132%0.322SS*.Hα-helixtrans-65.2-44.9175.5-73-174.9-68166.21.6111.2A73 E74 A80 A81A73-R77 WeakPolarHBondContact O-CG 3.29Å; A73-R77 PolarHBondContact O-NE 3.29Å; E74-R77 PolarHBondContact O-N 2.92Å; R77-A80 PolarHBondContact O-N 3.43Å; R77-A81 PolarHBondContact O-N 3.22Å
78Y94.5Very high93.6Very high52 Ų5260.4 Ų60.420%0.20432%0.316CS..Hα-helixtrans-63.2-47.6178.4-176.2-97.6000112.3E74 G75 A81 N82 F86 L130 H131 V134E74-Y78 PolarHBondContact O-N 2.87Å; G75-Y78 PolarHBondContact O-N 3.46Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y78-N82 HydrophobicContact CE1-CB 4.44Å; Y78-N82 WeakPolarHBondContact O-CB 3.34Å; Y78-N82 PolarHBondContact O-N 2.65Å; Y78-N82 PolarHBondContact O-ND2 2.74Å; Y78-F86 HydrophobicContact CD1-CZ 4.32Å; Y78-F86 HydrophobicContact CE1-CE2 4.24Å; Y78-F86 AromaticContact CE1-CZ 3.9Å; Y78-F86 HydrophobicContact CE1-CZ 3.9Å; Y78-L130 HydrophobicContact CD1-CD2 4.42Å; Y78-L130 HydrophobicContact CD1-CG 4.28Å; Y78-L130 HydrophobicContact CD2-CD2 3.7Å; Y78-L130 HydrophobicContact CD2-CG 4.32Å; Y78-L130 HydrophobicContact CE2-CD2 4.49Å; Y78-L130 HydrophobicContact CG-CD2 3.66Å; Y78-L130 HydrophobicContact CG-CG 3.99Å; Y78-H131 HydrophobicContact CE1-CB 3.94Å; Y78-H131 AromaticContact CE1-ND1 3.81Å; Y78-H131 AromaticContact CZ-ND1 3.99Å; Y78-H131 WeakPolarHBondContact OH-CB 3.47Å; Y78-H131 PolarHBondContact OH-ND1 2.73Å; Y78-V134 HydrophobicContact CD1-CG2 4.16Å
79Y95.1Very high93.6Very high7 Ų753.6 Ų53.63%0.02728%0.28CS..Hα-helixtrans-63.9-41.8177.8-176.8-104.7000111.4K66 L67 F71 G75 A81 N82 Y83 F86 V134 L138K66-Y79 HydrophobicContact CG-CE1 4.03Å; L67-Y79 WeakPolarHBondContact CB-OH 3.45Å; L67-Y79 PolarHBondContact N-OH 3.33Å; L67-Y79 WeakPolarHBondContact O-CE1 3.34Å; F71-Y79 HydrophobicContact CD2-CD1 4.27Å; F71-Y79 HydrophobicContact CD2-CG 4.07Å; F71-Y79 AromaticContact CE2-CD1 3.56Å; F71-Y79 HydrophobicContact CE2-CD1 3.56Å; F71-Y79 AromaticContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CE1 4.03Å; F71-Y79 HydrophobicContact CE2-CE2 4.33Å; F71-Y79 AromaticContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CE2-CG 3.49Å; F71-Y79 VanDerWaalsContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CZ-CD1 4.43Å; F71-Y79 HydrophobicContact CZ-CD2 4.12Å; F71-Y79 HydrophobicContact CZ-CE2 4.32Å; F71-Y79 HydrophobicContact CZ-CG 4.18Å; G75-Y79 WeakPolarHBondContact O-CB 3.24Å; G75-Y79 PolarHBondContact O-N 2.94Å; Y79-A81 PolarHBondContact O-N 3.48Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 2.86Å; Y79-N82 VanDerWaalsContact O-N 3.12Å; Y79-Y83 WeakPolarHBondContact O-CA 3.37Å; Y79-Y83 WeakPolarHBondContact O-CB 3.41Å; Y79-Y83 PolarHBondContact O-N 2.74Å; Y79-F86 AromaticContact CD2-CD2 3.66Å; Y79-F86 HydrophobicContact CD2-CD2 3.66Å; Y79-F86 AromaticContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CG 4.07Å; Y79-F86 HydrophobicContact CD2-CZ 4.46Å; Y79-F86 HydrophobicContact CE2-CB 3.91Å; Y79-F86 AromaticContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CE2 4.43Å; Y79-F86 AromaticContact CE2-CG 3.84Å; Y79-F86 HydrophobicContact CE2-CG 3.84Å; Y79-V134 HydrophobicContact CD2-CG1 3.85Å; Y79-V134 HydrophobicContact CG-CG1 4.36Å; Y79-L138 HydrophobicContact CE2-CD2 4.29Å
80A94.5Very high93.7Very high40 Ų4052.7 Ų52.733%0.33128%0.275SS..Hα-helixtrans-59.6-31.6177.100000113.4N76 R77 Y83N76-A80 WeakPolarHBondContact O-CB 3.39Å; N76-A80 PolarHBondContact O-N 2.92Å; R77-A80 PolarHBondContact O-N 3.43Å; A80-Y83 WeakPolarHBondContact O-CD1 3.3Å
81A94.3Very high93.6Very high66 Ų6650.1 Ų50.155%0.54526%0.258SS..Hα-helixtrans-84.4-25.4176.100000113.7R77 Y78 Y79R77-A81 PolarHBondContact O-N 3.22Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y79-A81 PolarHBondContact O-N 3.48Å
82N93.7Very high93.4Very high34 Ų3450.6 Ų50.618%0.18226%0.259CS..Hα-helixtrans-123.411.3-168.6-61.8-78.2000114.7Y78 Y79 W84 Q85 F86Y78-N82 HydrophobicContact CE1-CB 4.44Å; Y78-N82 WeakPolarHBondContact O-CB 3.34Å; Y78-N82 PolarHBondContact O-N 2.65Å; Y78-N82 PolarHBondContact O-ND2 2.74Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 2.86Å; Y79-N82 VanDerWaalsContact O-N 3.12Å; N82-W84 PolarHBondContact O-N 2.98Å; N82-Q85 PolarHBondContact O-N 3.49Å; N82-Q85 PolarHBondContact OD1-NE2 3.35Å; N82-Q85 VanDerWaalsContact OD1-NE2 3.13Å; N82-F86 HydrophobicContact CB-CE2 4.1Å; N82-F86 VanDerWaalsContact O-CD2 3.29Å; N82-F86 WeakPolarHBondContact O-CD2 3.46Å
83Y93.7Very high93.1Very high83 Ų8355.8 Ų55.833%0.32528%0.275SS..G310 helixtrans-53.5-30.4-171.265.9-90.7000114.1G64 K66 Y79 A80 Q85 F86G64-Y83 VanDerWaalsContact O-CE2 3.32Å; G64-Y83 WeakPolarHBondContact O-CE2 3.5Å; K66-Y83 HydrophobicContact CB-CD1 4.48Å; K66-Y83 HydrophobicContact CB-CD2 3.99Å; K66-Y83 HydrophobicContact CB-CE2 4.41Å; K66-Y83 HydrophobicContact CB-CG 4.04Å; K66-Y83 HydrophobicContact CD-CD1 4.36Å; K66-Y83 HydrophobicContact CG-CD1 4.44Å; K66-Y83 HydrophobicContact CG-CG 4.2Å; Y79-Y83 WeakPolarHBondContact O-CA 3.37Å; Y79-Y83 WeakPolarHBondContact O-CB 3.41Å; Y79-Y83 PolarHBondContact O-N 2.74Å; A80-Y83 WeakPolarHBondContact O-CD1 3.3Å; Y83-Q85 PolarHBondContact O-N 2.87Å; Y83-F86 PolarHBondContact O-N 2.96Å; Y83-F86 VanDerWaalsContact O-N 3.14Å
84W92Very high92.6Very high154 Ų15452.6 Ų52.658%0.58325%0.249SC*.G310 helixtrans-65.5-17.6179.757.2-92000114.2N82N82-W84 PolarHBondContact O-N 2.98Å
85Q90.8Very high92.1Very high55 Ų5550 Ų5026%0.25724%0.242SC..G310 helixtrans-82.9-21.4175.6-65177.760.700112.6K62 N82 Y83K62-Q85 PolarHBondContact NZ-O 3.39Å; N82-Q85 PolarHBondContact O-N 3.49Å; N82-Q85 PolarHBondContact OD1-NE2 3.35Å; N82-Q85 VanDerWaalsContact OD1-NE2 3.13Å; Y83-Q85 PolarHBondContact O-N 2.87Å
86F92.7Very high91.2Very high2 Ų255 Ų551%0.00928%0.276CS..SBendtrans-90.9154.4-172-69.5-84.2000112.7Y78 Y79 N82 Y83 H131 V134 L135 L138Y78-F86 HydrophobicContact CD1-CZ 4.32Å; Y78-F86 HydrophobicContact CE1-CE2 4.24Å; Y78-F86 AromaticContact CE1-CZ 3.9Å; Y78-F86 HydrophobicContact CE1-CZ 3.9Å; Y79-F86 AromaticContact CD2-CD2 3.66Å; Y79-F86 HydrophobicContact CD2-CD2 3.66Å; Y79-F86 AromaticContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CG 4.07Å; Y79-F86 HydrophobicContact CD2-CZ 4.46Å; Y79-F86 HydrophobicContact CE2-CB 3.91Å; Y79-F86 AromaticContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CE2 4.43Å; Y79-F86 AromaticContact CE2-CG 3.84Å; Y79-F86 HydrophobicContact CE2-CG 3.84Å; N82-F86 HydrophobicContact CB-CE2 4.1Å; N82-F86 VanDerWaalsContact O-CD2 3.29Å; N82-F86 WeakPolarHBondContact O-CD2 3.46Å; Y83-F86 PolarHBondContact O-N 2.96Å; Y83-F86 VanDerWaalsContact O-N 3.14Å; F86-H131 AromaticContact CD1-NE2 3.98Å; F86-H131 AromaticContact CE1-CD2 3.91Å; F86-H131 AromaticContact CE1-CE1 3.58Å; F86-H131 AromaticContact CE1-NE2 3.34Å; F86-H131 VanDerWaalsContact CE1-NE2 3.34Å; F86-H131 WeakPolarHBondContact CE1-NE2 3.5Å; F86-H131 AromaticContact CE2-CE1 3.91Å; F86-H131 AromaticContact CZ-CE1 3.39Å; F86-H131 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H131 AromaticContact CZ-ND1 3.61Å; F86-H131 AromaticContact CZ-NE2 3.65Å; F86-V134 HydrophobicContact CD1-CG1 4.37Å; F86-V134 HydrophobicContact CE1-CB 4.06Å; F86-V134 HydrophobicContact CE1-CG1 3.62Å; F86-V134 HydrophobicContact CE2-CG1 4.26Å; F86-V134 HydrophobicContact CZ-CB 4Å; F86-V134 HydrophobicContact CZ-CG1 3.55Å; F86-L135 HydrophobicContact CD1-CB 4.28Å; F86-L135 HydrophobicContact CD1-CD1 3.93Å; F86-L135 HydrophobicContact CE1-CB 3.91Å; F86-L135 HydrophobicContact CE1-CD1 4.4Å; F86-L138 HydrophobicContact CB-CD2 3.59Å; F86-L138 HydrophobicContact CD1-CD2 3.83Å; F86-L138 HydrophobicContact CG-CD2 4.03Å
87P93.8Very high90.2Very high2 Ų258.1 Ų58.11%0.01329%0.289CS..  trans-69.8136.9173.228.7-35.4000112.6F60 L135 L138F60-P87 HydrophobicContact CB-CB 3.94Å; F60-P87 HydrophobicContact CD1-CB 3.68Å; F60-P87 HydrophobicContact CD1-CG 3.74Å; F60-P87 HydrophobicContact CE1-CB 4.32Å; F60-P87 HydrophobicContact CE1-CG 3.86Å; F60-P87 HydrophobicContact CG-CB 3.84Å; F60-P87 HydrophobicContact CG-CG 4.14Å; F60-P87 HydrophobicContact CZ-CG 4.37Å; P87-L135 HydrophobicContact CG-CD1 4.15Å; P87-L138 HydrophobicContact CG-CD2 4.08Å
88D91.8Very high88.9Confident1 Ų152.9 Ų52.91%0.00529%0.285CS..SBendtrans-78.9-23.3168.3-67.7-96.2000113.1W35 I61 Q63 G64 R65W35-D88 WeakPolarHBondContact CH2-O 3.34Å; W35-D88 WeakPolarHBondContact CZ2-O 3.28Å; I61-D88 WeakPolarHBondContact O-CB 3.26Å; I61-D88 PolarHBondContact O-N 3.14Å; Q63-D88 VanDerWaalsContact CA-OD2 3.28Å; Q63-D88 WeakPolarHBondContact CA-OD2 3.28Å; Q63-D88 HydrophobicContact CB-CB 4.35Å; Q63-D88 PolarHBondContact N-OD2 2.67Å; G64-D88 PolarHBondContact N-OD2 2.89Å; R65-D88 WeakPolarHBondContact CA-OD1 3.45Å; R65-D88 WeakPolarHBondContact CB-OD1 3.33Å; R65-D88 WeakPolarHBondContact CG-OD1 3.31Å; R65-D88 PolarHBondContact N-OD1 2.05Å; R65-D88 PolarHBondContact N-OD2 3.27Å; R65-D88 IonicContact NE-OD1 3.36Å; R65-D88 PolarHBondContact NE-OD1 3.48Å
89G92.9Very high88.2Confident4 Ų456.1 Ų56.14%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-165.5168.2-174.200000111.4I61I61-G89 WeakPolarHBondContact CB-O 3.07Å; I61-G89 PolarHBondContact N-O 2.88Å; I61-G89 PolarHBondContact O-N 2.98Å
90I93.7Very high87.6Confident2 Ų256 Ų561%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-127.2126.8177.8-63.6165000107.4A59 Y92 T113 I139 I142 K146A59-I90 WeakPolarHBondContact O-CA 3.32Å; I90-Y92 PolarHBondContact O-N 3.48Å; I90-T113 HydrophobicContact CD1-CG2 3.95Å; I90-T113 HydrophobicContact CG1-CG2 4.34Å; I90-T113 WeakPolarHBondContact CG2-OG1 3.15Å; I90-I139 HydrophobicContact CD1-CB 4.28Å; I90-I139 HydrophobicContact CD1-CG1 4.2Å; I90-I139 HydrophobicContact CD1-CG2 3.86Å; I90-I142 HydrophobicContact CB-CG2 4.03Å; I90-I142 HydrophobicContact CD1-CB 4.05Å; I90-I142 HydrophobicContact CD1-CG2 3.76Å; I90-I142 HydrophobicContact CG1-CG2 3.83Å; I90-K146 WeakPolarHBondContact O-CE 3.38Å; I90-K146 PolarHBondContact O-NZ 3.34Å
91Y91.9Very high87.3Confident61 Ų6157.3 Ų57.324%0.23931%0.31CS..EExtended strand (participates in β ladder)trans-74.1110.2169.8-177-99.2000108.5N55 R56 G58 A59 E93N55-Y91 VanDerWaalsContact C-CD1 3.48Å; N55-Y91 HydrophobicContact CB-CE1 4.35Å; N55-Y91 VanDerWaalsContact O-CD1 3.31Å; N55-Y91 WeakPolarHBondContact O-CD1 3.44Å; N55-Y91 WeakPolarHBondContact O-CE1 3.2Å; R56-Y91 WeakPolarHBondContact O-CD1 3.47Å; G58-Y91 PolarHBondContact N-O 2.89Å; A59-Y91 PolarHBondContact O-N 3.45Å; Y91-E93 HydrophobicContact CE2-CG 4.45Å; Y91-E93 PolarHBondContact OH-OE1 3.43Å
92Y91.4Very high87Confident42 Ų4259.1 Ų59.117%0.16531%0.305CS..  trans-158.2121.6-179.8-172.7-104.9000109.2P57 I90 L105 S108 C109 A112 K146P57-Y92 HydrophobicContact CB-CD2 4.28Å; I90-Y92 PolarHBondContact O-N 3.48Å; Y92-L105 HydrophobicContact CE1-CD1 4.2Å; Y92-S108 WeakPolarHBondContact OH-CB 3.01Å; Y92-C109 HydrophobicContact CD1-CB 3.52Å; Y92-C109 HydrophobicContact CE1-CB 3.67Å; Y92-C109 HydrophobicContact CG-CB 4.02Å; Y92-A112 HydrophobicContact CD2-CB 3.77Å; Y92-A112 HydrophobicContact CE2-CB 3.53Å; Y92-K146 PolarHBondContact O-NZ 3.4Å
93E86.5Confident86.9Confident140 Ų14063.8 Ų63.865%0.65433%0.326SS*.  trans-113.779.5179.3-67.4-177.6-170.800109Y91Y91-E93 HydrophobicContact CE2-CG 4.45Å; Y91-E93 PolarHBondContact OH-OE1 3.43Å
94G83.6Confident86.7Confident12 Ų1263.5 Ų63.512%0.12433%0.329CS..  trans-96.88.5-179.500000114.7V100 L105G94-V100 WeakPolarHBondContact O-CG2 3.18Å; G94-L105 VanDerWaalsContact C-CD1 3.5Å; G94-L105 WeakPolarHBondContact O-CD1 3.32Å
95C82.9Confident86.8Confident51 Ų5156.2 Ų56.235%0.34530%0.301SS..  trans-98.412.1-172.6-65.20000114.2C148C95-C148 VanDerWaalsContact CA-SG 3.5Å; C95-C148 HydrophobicContact CB-CB 3.65Å; C95-C148 WeakPolarHBondContact CB-SG 2.95Å; C95-C148 WeakPolarHBondContact SG-CA 3.34Å; C95-C148 WeakPolarHBondContact SG-CB 3.25Å; C95-C148 CovalentContact SG-SG 2.04Å; C95-C148 PolarHBondContact SG-SG 2.96Å
96S76.2Confident86.9Confident108 Ų10854.6 Ų54.676%0.75530%0.295SS*.  trans-74.7-27.6-178.850.40000113.4
97E72.8Confident86.9Confident121 Ų12158.2 Ų58.257%0.56532%0.317SS*.SBendtrans-88.8128178.1-62.4174.2-172.300110.6N99 V100E97-N99 PolarHBondContact O-N 3.19Å; E97-V100 HydrophobicContact CB-CG2 3.65Å; E97-V100 WeakPolarHBondContact O-CG2 3.33Å; E97-V100 PolarHBondContact O-N 3Å
98A68Low86.9Confident73 Ų7360.1 Ų60.160%0.60333%0.331SS*.THydrogen-bonded Turntrans-62.5-4.6-173.300000115.2R154A98-R154 PolarHBondContact O-NH2 2.63Å
99N79.1Confident87Confident120 Ų12060 Ų6064%0.64233%0.33SS*.THydrogen-bonded Turntrans-133.118.1-170.5-70.9-43.2000114.7E97 T101 R154E97-N99 PolarHBondContact O-N 3.19Å; N99-T101 PolarHBondContact O-N 3.43Å; N99-R154 PolarHBondContact OD1-NH2 2.98Å
100V82.9Confident87.1Confident5 Ų560.6 Ų60.63%0.0333%0.333CS..  trans-67.3124.8174.9-175.10000110.1G94 E97 M104 L105 F150 W151G94-V100 WeakPolarHBondContact O-CG2 3.18Å; E97-V100 HydrophobicContact CB-CG2 3.65Å; E97-V100 WeakPolarHBondContact O-CG2 3.33Å; E97-V100 PolarHBondContact O-N 3Å; V100-M104 HydrophobicContact CB-CE 4.21Å; V100-M104 HydrophobicContact CG1-CB 4.09Å; V100-M104 HydrophobicContact CG1-CE 4.02Å; V100-M104 HydrophobicContact CG1-CG 4.18Å; V100-M104 HydrophobicContact CG2-CE 3.79Å; V100-L105 HydrophobicContact CG1-CB 3.8Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; V100-F150 HydrophobicContact CB-CZ 4.41Å; V100-W151 WeakPolarHBondContact O-CZ2 3.38Å; V100-W151 PolarHBondContact O-NE1 3.03Å
101T87.9Confident87.1Confident68 Ų6864.8 Ų64.842%0.41736%0.355SS..  trans-79.1162.4170.764.70000110.8N99 E103 M104 L105 W151N99-T101 PolarHBondContact O-N 3.43Å; T101-E103 VanDerWaalsContact C-N 3.26Å; T101-E103 PolarHBondContact O-N 3.44Å; T101-M104 PolarHBondContact O-N 3.31Å; T101-M104 VanDerWaalsContact OG1-CB 3.25Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 PolarHBondContact OG1-N 3.31Å; T101-L105 PolarHBondContact O-N 2.73Å; T101-W151 VanDerWaalsContact C-CZ2 3.47Å
102K89.2Confident87.3Confident103 Ų10362.9 Ų62.945%0.44835%0.352SS..Hα-helixtrans-61.5-40.2179.4-174.9176-179.6-178.80112.2M104 L105 V106 W151K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.21Å; K102-L105 PolarHBondContact O-N 3.02Å; K102-V106 HydrophobicContact CG-CG2 4.46Å; K102-V106 VanDerWaalsContact O-CG2 3.25Å; K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.92Å; K102-W151 VanDerWaalsContact CA-CZ2 3.45Å; K102-W151 HydrophobicContact CB-CE3 4.46Å; K102-W151 HydrophobicContact CB-CH2 3.59Å; K102-W151 HydrophobicContact CB-CZ2 4.05Å; K102-W151 HydrophobicContact CB-CZ3 3.78Å; K102-W151 HydrophobicContact CD-CZ3 4.24Å; K102-W151 HydrophobicContact CG-CH2 3.81Å; K102-W151 HydrophobicContact CG-CZ3 3.75Å
103E90.6Very high87.4Confident132 Ų13260.9 Ų60.962%0.61735%0.345SS*.Hα-helixtrans-64.3-40.7178.7-59.869-148.100110.7T101 T107T101-E103 VanDerWaalsContact C-N 3.26Å; T101-E103 PolarHBondContact O-N 3.44Å; E103-T107 VanDerWaalsContact O-CB 3.31Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 3.43Å; E103-T107 PolarHBondContact O-OG1 3.41Å
104M91.1Very high87.7Confident77 Ų7758.8 Ų58.838%0.37934%0.335SS..Hα-helixtrans-68.7-44.4176.6-174.5174.3128.600111.4V100 T101 K102 V106 T107 S108V100-M104 HydrophobicContact CB-CE 4.21Å; V100-M104 HydrophobicContact CG1-CB 4.09Å; V100-M104 HydrophobicContact CG1-CE 4.02Å; V100-M104 HydrophobicContact CG1-CG 4.18Å; V100-M104 HydrophobicContact CG2-CE 3.79Å; T101-M104 PolarHBondContact O-N 3.31Å; T101-M104 VanDerWaalsContact OG1-CB 3.25Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 PolarHBondContact OG1-N 3.31Å; K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.21Å; M104-V106 VanDerWaalsContact C-N 3.34Å; M104-V106 PolarHBondContact O-N 3Å; M104-T107 PolarHBondContact O-N 3.32Å; M104-S108 VanDerWaalsContact O-CB 3.29Å; M104-S108 WeakPolarHBondContact O-CB 3.29Å; M104-S108 PolarHBondContact O-N 3.21Å; M104-S108 PolarHBondContact O-OG 2.89Å
105L92.3Very high88.1Confident2 Ų261.1 Ų61.11%0.0135%0.353CS..Hα-helixtrans-57.5-47.8176.3-172.780.1000111.2Y92 G94 V100 T101 K102 C109 K146 W151Y92-L105 HydrophobicContact CE1-CD1 4.2Å; G94-L105 VanDerWaalsContact C-CD1 3.5Å; G94-L105 WeakPolarHBondContact O-CD1 3.32Å; V100-L105 HydrophobicContact CG1-CB 3.8Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; T101-L105 PolarHBondContact O-N 2.73Å; K102-L105 PolarHBondContact O-N 3.02Å; L105-C109 WeakPolarHBondContact O-CB 3.43Å; L105-C109 PolarHBondContact O-N 3Å; L105-K146 HydrophobicContact CD2-CB 3.75Å; L105-W151 HydrophobicContact CB-CH2 3.92Å; L105-W151 HydrophobicContact CB-CZ2 4.2Å; L105-W151 HydrophobicContact CD2-CH2 3.58Å; L105-W151 HydrophobicContact CD2-CZ2 4.36Å; L105-W151 HydrophobicContact CD2-CZ3 4.3Å; L105-W151 HydrophobicContact CG-CH2 4.34Å
106V93.6Very high88.5Confident21 Ų2159.6 Ų59.613%0.12734%0.344CS..Hα-helixtrans-66.1-46.8-178.1174.60000110.5K102 M104 S108 C109 V110 C143K102-V106 HydrophobicContact CG-CG2 4.46Å; K102-V106 VanDerWaalsContact O-CG2 3.25Å; K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.92Å; M104-V106 VanDerWaalsContact C-N 3.34Å; M104-V106 PolarHBondContact O-N 3Å; V106-S108 PolarHBondContact O-N 3.49Å; V106-C109 PolarHBondContact O-N 3.14Å; V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.35Å; V106-V110 PolarHBondContact O-N 3.21Å; V106-C143 HydrophobicContact CG1-CB 4.19Å
107T93.8Very high89.2Confident77 Ų7754.8 Ų54.847%0.47231%0.31SS..Hα-helixtrans-59.6-48.6178.1-57.90000111.3E103 M104 C109 V110 N111E103-T107 VanDerWaalsContact O-CB 3.31Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 3.43Å; E103-T107 PolarHBondContact O-OG1 3.41Å; M104-T107 PolarHBondContact O-N 3.32Å; T107-C109 PolarHBondContact O-N 2.89Å; T107-V110 PolarHBondContact O-N 3.38Å; T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 VanDerWaalsContact O-CG 3.25Å; T107-N111 PolarHBondContact O-N 2.86Å
108S92.8Very high89.8Confident42 Ų4255 Ų5529%0.29431%0.311SS..Hα-helixtrans-67.3-36-179.6-59.70000112.3Y92 M104 V106 N111 A112Y92-S108 WeakPolarHBondContact OH-CB 3.01Å; M104-S108 VanDerWaalsContact O-CB 3.29Å; M104-S108 WeakPolarHBondContact O-CB 3.29Å; M104-S108 PolarHBondContact O-N 3.21Å; M104-S108 PolarHBondContact O-OG 2.89Å; V106-S108 PolarHBondContact O-N 3.49Å; S108-N111 PolarHBondContact O-N 2.86Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 3.35Å
109C94.7Very high90.6Very high0 Ų055.2 Ų55.20%031%0.313CS..Hα-helixtrans-61-47.6172.4176.30000111.7Y92 L105 V106 T107 A112 T113 C143Y92-C109 HydrophobicContact CD1-CB 3.52Å; Y92-C109 HydrophobicContact CE1-CB 3.67Å; Y92-C109 HydrophobicContact CG-CB 4.02Å; L105-C109 WeakPolarHBondContact O-CB 3.43Å; L105-C109 PolarHBondContact O-N 3Å; V106-C109 PolarHBondContact O-N 3.14Å; T107-C109 PolarHBondContact O-N 2.89Å; C109-A112 PolarHBondContact O-N 3.32Å; C109-T113 WeakPolarHBondContact O-CB 3.18Å; C109-T113 PolarHBondContact O-N 2.79Å; C109-T113 PolarHBondContact O-OG1 3.28Å; C109-C143 VanDerWaalsContact C-SG 3.58Å; C109-C143 HydrophobicContact CB-CB 3.69Å; C109-C143 WeakPolarHBondContact CB-SG 3.33Å; C109-C143 WeakPolarHBondContact SG-CB 3.5Å; C109-C143 CovalentContact SG-SG 2.05Å; C109-C143 PolarHBondContact SG-SG 2.98Å
110V94.6Very high90.8Very high15 Ų1552 Ų529%0.09129%0.294CS..Hα-helixtrans-62.4-45.9178.1171.80000110.6V106 T107 T113 Q114 W136 I139 C143V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.35Å; V106-V110 PolarHBondContact O-N 3.21Å; T107-V110 PolarHBondContact O-N 3.38Å; V110-T113 WeakPolarHBondContact O-CB 3.25Å; V110-T113 PolarHBondContact O-N 3.36Å; V110-Q114 PolarHBondContact O-N 3.4Å; V110-W136 HydrophobicContact CG1-CH2 3.25Å; V110-W136 HydrophobicContact CG1-CZ2 3.8Å; V110-W136 HydrophobicContact CG1-CZ3 3.8Å; V110-I139 HydrophobicContact CG2-CG2 4.21Å; V110-C143 HydrophobicContact CG2-CB 4.21Å
111N94.2Very high90.8Very high90 Ų9053.3 Ų53.348%0.48130%0.299SS..Hα-helixtrans-62.9-45.7179.3-71.1-12.2000112.1T107 S108 T113 Q114 A115T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 VanDerWaalsContact O-CG 3.25Å; T107-N111 PolarHBondContact O-N 2.86Å; S108-N111 PolarHBondContact O-N 2.86Å; N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.15Å; N111-Q114 PolarHBondContact O-N 3.46Å; N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.74Å
112A94.3Very high90.4Very high22 Ų2253.9 Ų53.918%0.18231%0.306CS..Hα-helixtrans-61.4-40.3175.300000111.4Y92 S108 C109 A115 A116Y92-A112 HydrophobicContact CD2-CB 3.77Å; Y92-A112 HydrophobicContact CE2-CB 3.53Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 3.35Å; C109-A112 PolarHBondContact O-N 3.32Å; A112-A115 PolarHBondContact O-N 2.66Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.08Å; A112-A116 PolarHBondContact O-N 2.77Å
113T94.7Very high89.7Confident0 Ų058.9 Ų58.90%032%0.322CS..Hα-helixtrans-64-42.9177.9-55.90000112.1F60 I90 C109 V110 N111 N117 I139F60-T113 HydrophobicContact CD1-CG2 4.11Å; F60-T113 HydrophobicContact CE1-CG2 3.42Å; F60-T113 VanDerWaalsContact CE1-CG2 3.42Å; F60-T113 HydrophobicContact CZ-CG2 4.25Å; I90-T113 HydrophobicContact CD1-CG2 3.95Å; I90-T113 HydrophobicContact CG1-CG2 4.34Å; I90-T113 WeakPolarHBondContact CG2-OG1 3.15Å; C109-T113 WeakPolarHBondContact O-CB 3.18Å; C109-T113 PolarHBondContact O-N 2.79Å; C109-T113 PolarHBondContact O-OG1 3.28Å; V110-T113 WeakPolarHBondContact O-CB 3.25Å; V110-T113 PolarHBondContact O-N 3.36Å; N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.15Å; T113-N117 PolarHBondContact O-N 2.92Å; T113-N117 VanDerWaalsContact O-N 3.12Å; T113-N117 PolarHBondContact O-ND2 3.05Å; T113-I139 HydrophobicContact CG2-CD1 3.96Å; T113-I139 HydrophobicContact CG2-CG1 4.27Å; T113-I139 HydrophobicContact CG2-CG2 4.05Å
114Q92.5Very high88.7Confident96 Ų9654 Ų5445%0.44930%0.299SS..Hα-helixtrans-64.7-43.1175.9-173178.81.400111.5V110 N111 Q118 F121V110-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 PolarHBondContact O-N 3.46Å; Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 3.25Å; Q114-F121 HydrophobicContact CB-CE2 4.43Å; Q114-F121 HydrophobicContact CG-CD2 4.49Å
115A91.7Very high87.3Confident61 Ų6157.7 Ų57.750%0.50431%0.313SS..Hα-helixtrans-65.9-40.1178.700000112.5N111 A112 Q118N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.74Å; A112-A115 PolarHBondContact O-N 2.66Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å
116A92Very high85.7Confident18 Ų1866 Ų6615%0.14935%0.351CS..Hα-helixtrans-70.9-36.4179.900000112.7R56 A112R56-A116 HydrophobicContact CG-CB 4.33Å; R56-A116 PolarHBondContact NH1-O 3.36Å; R56-A116 PolarHBondContact NH2-O 3.09Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.08Å; A112-A116 PolarHBondContact O-N 2.77Å
117N90.2Very high84.2Confident8 Ų872.3 Ų72.34%0.04339%0.385CS..THydrogen-bonded Turntrans-11334.7-170.5-50.1-75.8000113.2R56 G58 F60 T113 A119 E120 F121R56-N117 PolarHBondContact NH2-OD1 2.86Å; R56-N117 VanDerWaalsContact NH2-OD1 3.09Å; G58-N117 PolarHBondContact O-ND2 3.1Å; F60-N117 HydrophobicContact CD2-CB 4.11Å; F60-N117 HydrophobicContact CE1-CB 4.48Å; F60-N117 HydrophobicContact CE2-CB 3.71Å; F60-N117 HydrophobicContact CZ-CB 3.91Å; T113-N117 PolarHBondContact O-N 2.92Å; T113-N117 VanDerWaalsContact O-N 3.12Å; T113-N117 PolarHBondContact O-ND2 3.05Å; N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 VanDerWaalsContact O-N 3.08Å; N117-E120 HydrophobicContact CB-CB 4.36Å; N117-E120 HydrophobicContact CB-CG 4.27Å; N117-E120 PolarHBondContact O-N 3.36Å; N117-F121 HydrophobicContact CB-CD2 4.44Å; N117-F121 HydrophobicContact CB-CE2 4.38Å; N117-F121 WeakPolarHBondContact O-CD2 3.5Å; N117-F121 PolarHBondContact O-N 3.46Å
118Q86.4Confident83.5Confident125 Ų12570 Ų7058%0.58437%0.371SS*.Hα-helixtrans-51.6-35.3-179.2-70.5-178.115.300113.5Q114 A115 F121 S122Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 3.25Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å; Q118-F121 PolarHBondContact O-N 3.42Å; Q118-S122 VanDerWaalsContact O-CB 3.28Å; Q118-S122 WeakPolarHBondContact O-CB 3.45Å; Q118-S122 PolarHBondContact O-N 3.28Å; Q118-S122 PolarHBondContact O-OG 2.77Å
119A83.6Confident83.2Confident78 Ų7876.6 Ų76.665%0.64540%0.395SS*.Hα-helixtrans-63.1-42178.400000112.8N117 S122 R123N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 VanDerWaalsContact O-N 3.08Å; A119-S122 PolarHBondContact O-N 3.38Å; A119-R123 WeakPolarHBondContact O-CB 3.4Å; A119-R123 PolarHBondContact O-N 2.04Å
120E83.3Confident83.1Confident53 Ų5378 Ų7825%0.24840%0.402CS..Hα-helixtrans-65.7-47.8178.7-61.9-79.2-148.200110F60 K62 N117 S122 R123 E124F60-E120 HydrophobicContact CD2-CG 4.21Å; F60-E120 HydrophobicContact CE2-CB 4.04Å; F60-E120 HydrophobicContact CE2-CG 3.94Å; K62-E120 IonicContact NZ-OE1 2.69Å; K62-E120 PolarHBondContact NZ-OE1 3.17Å; N117-E120 HydrophobicContact CB-CB 4.36Å; N117-E120 HydrophobicContact CB-CG 4.27Å; N117-E120 PolarHBondContact O-N 3.36Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 2.8Å; E120-R123 PolarHBondContact O-N 3.45Å; E120-E124 WeakPolarHBondContact O-CG 3.28Å; E120-E124 PolarHBondContact O-N 3.06Å
121F82.9Confident82.9Confident31 Ų3177.5 Ų77.514%0.13640%0.399CS..Hα-helixtrans-64.6-29.8177.6-73.8-73.1000113.8F60 Q114 N117 Q118 K125 Q132 L135 W136 I139F60-F121 HydrophobicContact CZ-CE2 4.29Å; Q114-F121 HydrophobicContact CB-CE2 4.43Å; Q114-F121 HydrophobicContact CG-CD2 4.49Å; N117-F121 HydrophobicContact CB-CD2 4.44Å; N117-F121 HydrophobicContact CB-CE2 4.38Å; N117-F121 WeakPolarHBondContact O-CD2 3.5Å; N117-F121 PolarHBondContact O-N 3.46Å; Q118-F121 PolarHBondContact O-N 3.42Å; F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-Q132 PolarHBondContact O-NE2 3.12Å; F121-L135 HydrophobicContact CD1-CD2 4.13Å; F121-L135 HydrophobicContact CE1-CD2 3.76Å; F121-L135 HydrophobicContact CE1-CG 4.28Å; F121-L135 HydrophobicContact CZ-CD2 4.23Å; F121-W136 HydrophobicContact CE1-CE3 4.34Å; F121-I139 HydrophobicContact CE1-CD1 4.2Å; F121-I139 HydrophobicContact CE2-CD1 4.36Å; F121-I139 HydrophobicContact CZ-CD1 3.46Å; F121-I139 VanDerWaalsContact CZ-CD1 3.46Å
122S80.7Confident82.7Confident80 Ų8075.8 Ų75.856%0.55939%0.388SS*.Hα-helixtrans-79.6-43.7180-600000112Q118 A119 E120 E124 K125Q118-S122 VanDerWaalsContact O-CB 3.28Å; Q118-S122 WeakPolarHBondContact O-CB 3.45Å; Q118-S122 PolarHBondContact O-N 3.28Å; Q118-S122 PolarHBondContact O-OG 2.77Å; A119-S122 PolarHBondContact O-N 3.38Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 2.8Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 3.03Å; S122-K125 PolarHBondContact O-N 3.4Å
123R73.4Confident82.6Confident208 Ų20882.3 Ų82.379%0.78541%0.408SS*.Hα-helixtrans-63.5-39.1-179.4-173.2178.8179.4-174.90.1111.9A119 E120A119-R123 WeakPolarHBondContact O-CB 3.4Å; A119-R123 PolarHBondContact O-N 2.04Å; E120-R123 PolarHBondContact O-N 3.45Å
124E70Confident82.6Confident31 Ų3182.4 Ų82.415%0.14541%0.409CS..THydrogen-bonded Turntrans-85.9-10.2-175.7-66.3175.6164.300113.9E120 S122 Q126 S128 H131E120-E124 WeakPolarHBondContact O-CG 3.28Å; E120-E124 PolarHBondContact O-N 3.06Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 3.03Å; E124-Q126 PolarHBondContact O-N 3.16Å; E124-S128 PolarHBondContact O-N 3.19Å; E124-H131 VanDerWaalsContact CD-NE2 3.27Å; E124-H131 IonicContact OE1-CD2 2.84Å; E124-H131 IonicContact OE1-CE1 3.99Å; E124-H131 PolarHBondContact OE1-CE1 2.85Å; E124-H131 VanDerWaalsContact OE1-CE1 3.28Å; E124-H131 IonicContact OE1-ND1 3.28Å; E124-H131 IonicContact OE1-NE2 3.06Å; E124-H131 PolarHBondContact OE1-NE2 3.13Å; E124-H131 IonicContact OE2-CD2 3.95Å; E124-H131 PolarHBondContact OE2-CD2 2.71Å; E124-H131 IonicContact OE2-CE1 3.04Å; E124-H131 IonicContact OE2-CG 3.5Å; E124-H131 IonicContact OE2-NE2 3.89Å; E124-H131 PolarHBondContact OE2-NE2 3.08Å
125K61.9Low82.6Confident153 Ų15378 Ų7867%0.66539%0.388SS*.THydrogen-bonded Turntrans-64.6-22.9-177.4-165.2173.3179.1-176.30113.6F121 S122 Q132F121-K125 WeakPolarHBondContact O-CB 3.34Å; S122-K125 PolarHBondContact O-N 3.4Å; K125-Q132 VanDerWaalsContact CA-NE2 3.28Å
126Q58.5Low82.7Confident176 Ų17680.7 Ų80.782%0.82239%0.385SS*.THydrogen-bonded Turntrans-90.3-35.7-176.5-71.1-174.3-19.800113.4E124E124-Q126 PolarHBondContact O-N 3.16Å
127D62Low82.8Confident154 Ų15485 Ų8582%0.82440%0.398SS*.THydrogen-bonded Turntrans-110.2-11.1-166.8-78.1-25.2000116.1
128S78.6Confident83Confident28 Ų2884.6 Ų84.620%0.19640%0.396CS..  trans-15489.2-176.8-175.70000115E124 L130 H131 Q132E124-S128 PolarHBondContact O-N 3.19Å; S128-L130 PolarHBondContact O-N 3.38Å; S128-L130 VanDerWaalsContact O-N 3.17Å; S128-H131 WeakPolarHBondContact O-CB 2.96Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 WeakPolarHBondContact OG-CB 2.96Å; S128-H131 PolarHBondContact OG-N 2.7Å; S128-Q132 PolarHBondContact O-N 3.26Å; S128-Q132 VanDerWaalsContact O-N 3.1Å
129K88.2Confident83.4Confident181 Ų18178.7 Ų78.779%0.78737%0.368SS*.Hα-helixtrans-53.5-33.6168.1-69-177-178.7177.40112.2R133K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.41Å; K129-R133 VanDerWaalsContact O-N 3.12Å
130L91Very high83.9Confident30 Ų3080 Ų8016%0.15736%0.359CS..Hα-helixtrans-70.8-42.7178.6-174.861.4000111.6E74 Y78 S128 Q132 R133 V134E74-L130 HydrophobicContact CG-CD1 4.01Å; E74-L130 HydrophobicContact CG-CD2 3.87Å; Y78-L130 HydrophobicContact CD1-CD2 4.42Å; Y78-L130 HydrophobicContact CD1-CG 4.28Å; Y78-L130 HydrophobicContact CD2-CD2 3.7Å; Y78-L130 HydrophobicContact CD2-CG 4.32Å; Y78-L130 HydrophobicContact CE2-CD2 4.49Å; Y78-L130 HydrophobicContact CG-CD2 3.66Å; Y78-L130 HydrophobicContact CG-CG 3.99Å; S128-L130 PolarHBondContact O-N 3.38Å; S128-L130 VanDerWaalsContact O-N 3.17Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.29Å; L130-R133 PolarHBondContact O-N 3.37Å; L130-V134 HydrophobicContact CD1-CG2 4.5Å; L130-V134 WeakPolarHBondContact O-CG2 3.13Å; L130-V134 PolarHBondContact O-N 2.97Å
131H90.9Very high84.4Confident4 Ų479.7 Ų79.72%0.01936%0.358CS..Hα-helixtrans-58.1-49.9175.1-170.1105.5000110.4Y78 F86 E124 S128 R133 V134 L135Y78-H131 HydrophobicContact CE1-CB 3.94Å; Y78-H131 AromaticContact CE1-ND1 3.81Å; Y78-H131 AromaticContact CZ-ND1 3.99Å; Y78-H131 WeakPolarHBondContact OH-CB 3.47Å; Y78-H131 PolarHBondContact OH-ND1 2.73Å; F86-H131 AromaticContact CD1-NE2 3.98Å; F86-H131 AromaticContact CE1-CD2 3.91Å; F86-H131 AromaticContact CE1-CE1 3.58Å; F86-H131 AromaticContact CE1-NE2 3.34Å; F86-H131 VanDerWaalsContact CE1-NE2 3.34Å; F86-H131 WeakPolarHBondContact CE1-NE2 3.5Å; F86-H131 AromaticContact CE2-CE1 3.91Å; F86-H131 AromaticContact CZ-CE1 3.39Å; F86-H131 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H131 AromaticContact CZ-ND1 3.61Å; F86-H131 AromaticContact CZ-NE2 3.65Å; E124-H131 VanDerWaalsContact CD-NE2 3.27Å; E124-H131 IonicContact OE1-CD2 2.84Å; E124-H131 IonicContact OE1-CE1 3.99Å; E124-H131 PolarHBondContact OE1-CE1 2.85Å; E124-H131 VanDerWaalsContact OE1-CE1 3.28Å; E124-H131 IonicContact OE1-ND1 3.28Å; E124-H131 IonicContact OE1-NE2 3.06Å; E124-H131 PolarHBondContact OE1-NE2 3.13Å; E124-H131 IonicContact OE2-CD2 3.95Å; E124-H131 PolarHBondContact OE2-CD2 2.71Å; E124-H131 IonicContact OE2-CE1 3.04Å; E124-H131 IonicContact OE2-CG 3.5Å; E124-H131 IonicContact OE2-NE2 3.89Å; E124-H131 PolarHBondContact OE2-NE2 3.08Å; S128-H131 WeakPolarHBondContact O-CB 2.96Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 WeakPolarHBondContact OG-CB 2.96Å; S128-H131 PolarHBondContact OG-N 2.7Å; H131-R133 VanDerWaalsContact C-N 3.28Å; H131-R133 PolarHBondContact O-N 3.25Å; H131-V134 PolarHBondContact O-N 3.23Å; H131-V134 VanDerWaalsContact O-N 3.15Å; H131-L135 VanDerWaalsContact O-CB 3.31Å; H131-L135 WeakPolarHBondContact O-CB 3.44Å; H131-L135 PolarHBondContact O-N 3.25Å
132Q90.7Very high85Confident54 Ų5478.9 Ų78.925%0.25236%0.355SS..Hα-helixtrans-59.7-39.9179.4-67.2-164.6-49.400112.3F121 K125 S128 L130 W136F121-Q132 PolarHBondContact O-NE2 3.12Å; K125-Q132 VanDerWaalsContact CA-NE2 3.28Å; S128-Q132 PolarHBondContact O-N 3.26Å; S128-Q132 VanDerWaalsContact O-N 3.1Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.29Å; Q132-W136 WeakPolarHBondContact O-CB 3.45Å; Q132-W136 PolarHBondContact O-N 3.47Å
133R92Very high85.6Confident160 Ų16075.1 Ų75.160%0.60433%0.328SS*.Hα-helixtrans-62.9-45.9176-172.3-172.5-64.2160.6-0.5111.7E74 K129 L130 H131 R137E74-R133 IonicContact OE2-NH1 3.84Å; K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.41Å; K129-R133 VanDerWaalsContact O-N 3.12Å; L130-R133 PolarHBondContact O-N 3.37Å; H131-R133 VanDerWaalsContact C-N 3.28Å; H131-R133 PolarHBondContact O-N 3.25Å; R133-R137 WeakPolarHBondContact O-CB 3.49Å; R133-R137 PolarHBondContact O-N 2.97Å
134V93.6Very high86.5Confident2 Ų267 Ų671%0.01230%0.303CS..Hα-helixtrans-65.6-47178.5173.20000110.5F71 Y78 Y79 F86 L130 H131 W136 R137 L138F71-V134 HydrophobicContact CD1-CB 4.48Å; F71-V134 HydrophobicContact CD1-CG1 3.98Å; F71-V134 HydrophobicContact CD2-CG1 4.49Å; F71-V134 HydrophobicContact CE1-CG1 3.89Å; F71-V134 WeakPolarHBondContact CE1-O 3.49Å; F71-V134 HydrophobicContact CE2-CG1 4.41Å; F71-V134 HydrophobicContact CG-CG1 4.29Å; F71-V134 HydrophobicContact CZ-CG1 4.11Å; Y78-V134 HydrophobicContact CD1-CG2 4.16Å; Y79-V134 HydrophobicContact CD2-CG1 3.85Å; Y79-V134 HydrophobicContact CG-CG1 4.36Å; F86-V134 HydrophobicContact CD1-CG1 4.37Å; F86-V134 HydrophobicContact CE1-CB 4.06Å; F86-V134 HydrophobicContact CE1-CG1 3.62Å; F86-V134 HydrophobicContact CE2-CG1 4.26Å; F86-V134 HydrophobicContact CZ-CB 4Å; F86-V134 HydrophobicContact CZ-CG1 3.55Å; L130-V134 HydrophobicContact CD1-CG2 4.5Å; L130-V134 WeakPolarHBondContact O-CG2 3.13Å; L130-V134 PolarHBondContact O-N 2.97Å; H131-V134 PolarHBondContact O-N 3.23Å; H131-V134 VanDerWaalsContact O-N 3.15Å; V134-W136 PolarHBondContact O-N 3.33Å; V134-R137 PolarHBondContact O-N 3.25Å; V134-L138 VanDerWaalsContact O-CB 3.24Å; V134-L138 WeakPolarHBondContact O-CB 3.02Å; V134-L138 PolarHBondContact O-N 3.38Å
135L93.3Very high87.5Confident3 Ų368.2 Ų68.22%0.01632%0.319CS..Hα-helixtrans-59.4-46.5178.2-177.861.5000111.3F60 F86 P87 F121 H131 R137 L138 I139F60-L135 HydrophobicContact CZ-CD1 4.16Å; F86-L135 HydrophobicContact CD1-CB 4.28Å; F86-L135 HydrophobicContact CD1-CD1 3.93Å; F86-L135 HydrophobicContact CE1-CB 3.91Å; F86-L135 HydrophobicContact CE1-CD1 4.4Å; P87-L135 HydrophobicContact CG-CD1 4.15Å; F121-L135 HydrophobicContact CD1-CD2 4.13Å; F121-L135 HydrophobicContact CE1-CD2 3.76Å; F121-L135 HydrophobicContact CE1-CG 4.28Å; F121-L135 HydrophobicContact CZ-CD2 4.23Å; H131-L135 VanDerWaalsContact O-CB 3.31Å; H131-L135 WeakPolarHBondContact O-CB 3.44Å; H131-L135 PolarHBondContact O-N 3.25Å; L135-R137 PolarHBondContact O-N 3.3Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.45Å; L135-I139 HydrophobicContact CD1-CD1 3.95Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 WeakPolarHBondContact O-CB 3.04Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.09Å
136W93.1Very high88.6Confident118 Ų11863.7 Ų63.745%0.44730%0.299SS..Hα-helixtrans-63.9-43.9179.5-169.7-112000112.4V110 F121 Q132 V134 L138 I139 K140V110-W136 HydrophobicContact CG1-CH2 3.25Å; V110-W136 HydrophobicContact CG1-CZ2 3.8Å; V110-W136 HydrophobicContact CG1-CZ3 3.8Å; F121-W136 HydrophobicContact CE1-CE3 4.34Å; Q132-W136 WeakPolarHBondContact O-CB 3.45Å; Q132-W136 PolarHBondContact O-N 3.47Å; V134-W136 PolarHBondContact O-N 3.33Å; W136-L138 VanDerWaalsContact C-N 3.33Å; W136-L138 PolarHBondContact O-N 3.18Å; W136-I139 PolarHBondContact O-N 2.95Å; W136-K140 WeakPolarHBondContact O-CB 3.42Å; W136-K140 PolarHBondContact O-N 3.48Å
137R94Very high89.9Confident108 Ų10860.6 Ų60.641%0.40828%0.284SS..Hα-helixtrans-61.3-44.7175.3-177.564.8179.2168.116.1110.7F71 R133 V134 L135 K140 E141F71-R137 HydrophobicContact CD1-CB 3.85Å; F71-R137 HydrophobicContact CD1-CG 3.64Å; F71-R137 HydrophobicContact CE1-CB 4.09Å; F71-R137 HydrophobicContact CE1-CG 4Å; R133-R137 WeakPolarHBondContact O-CB 3.49Å; R133-R137 PolarHBondContact O-N 2.97Å; V134-R137 PolarHBondContact O-N 3.25Å; L135-R137 PolarHBondContact O-N 3.3Å; R137-K140 PolarHBondContact O-N 3.23Å; R137-E141 IonicContact CZ-OE1 3.1Å; R137-E141 IonicContact NE-OE1 3.53Å; R137-E141 IonicContact NH1-OE1 3.74Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 3.22Å; R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.31Å
138L94.5Very high90.9Very high0 Ų053.4 Ų53.40%025%0.246CC..Hα-helixtrans-60.7-48.5179.5-178.265.1000111.9L67 I69 F71 Y79 F86 P87 V134 L135 W136 K140 E141 I142L67-L138 HydrophobicContact CD1-CD1 3.62Å; I69-L138 HydrophobicContact CD1-CD1 3.31Å; F71-L138 HydrophobicContact CE1-CB 3.95Å; F71-L138 HydrophobicContact CE1-CD1 4.47Å; F71-L138 HydrophobicContact CZ-CB 4.19Å; F71-L138 HydrophobicContact CZ-CD1 3.95Å; Y79-L138 HydrophobicContact CE2-CD2 4.29Å; F86-L138 HydrophobicContact CB-CD2 3.59Å; F86-L138 HydrophobicContact CD1-CD2 3.83Å; F86-L138 HydrophobicContact CG-CD2 4.03Å; P87-L138 HydrophobicContact CG-CD2 4.08Å; V134-L138 VanDerWaalsContact O-CB 3.24Å; V134-L138 WeakPolarHBondContact O-CB 3.02Å; V134-L138 PolarHBondContact O-N 3.38Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.45Å; W136-L138 VanDerWaalsContact C-N 3.33Å; W136-L138 PolarHBondContact O-N 3.18Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-E141 PolarHBondContact O-N 3.41Å; L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.93Å
139I94.5Very high91Very high1 Ų157.6 Ų57.61%0.00527%0.266CS..Hα-helixtrans-59.8-43.6177.6-70.3168.3000110.6F60 I90 V110 T113 F121 L135 W136 E141 I142 C143F60-I139 HydrophobicContact CE1-CD1 3.9Å; F60-I139 HydrophobicContact CE1-CG1 4.24Å; F60-I139 HydrophobicContact CZ-CD1 3.98Å; I90-I139 HydrophobicContact CD1-CB 4.28Å; I90-I139 HydrophobicContact CD1-CG1 4.2Å; I90-I139 HydrophobicContact CD1-CG2 3.86Å; V110-I139 HydrophobicContact CG2-CG2 4.21Å; T113-I139 HydrophobicContact CG2-CD1 3.96Å; T113-I139 HydrophobicContact CG2-CG1 4.27Å; T113-I139 HydrophobicContact CG2-CG2 4.05Å; F121-I139 HydrophobicContact CE1-CD1 4.2Å; F121-I139 HydrophobicContact CE2-CD1 4.36Å; F121-I139 HydrophobicContact CZ-CD1 3.46Å; F121-I139 VanDerWaalsContact CZ-CD1 3.46Å; L135-I139 HydrophobicContact CD1-CD1 3.95Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 WeakPolarHBondContact O-CB 3.04Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.09Å; W136-I139 PolarHBondContact O-N 2.95Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.04Å; I139-I142 PolarHBondContact O-N 2.91Å; I139-C143 WeakPolarHBondContact O-CB 3.38Å; I139-C143 PolarHBondContact O-N 3.33Å; I139-C143 PolarHBondContact O-SG 2.86Å
140K94.9Very high90.3Very high104 Ų10450.9 Ų50.945%0.45224%0.237SC..Hα-helixtrans-60.8-42.4177.1-171.4174.7-177.4174.80111.8W136 R137 L138 S144W136-K140 WeakPolarHBondContact O-CB 3.42Å; W136-K140 PolarHBondContact O-N 3.48Å; R137-K140 PolarHBondContact O-N 3.23Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-S144 WeakPolarHBondContact O-CB 3.34Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 PolarHBondContact O-OG 3.18Å
141E94.5Very high89.6Confident47 Ų4752.1 Ų52.122%0.2224%0.24CC..Hα-helixtrans-67-44.3177-68.3-60.5153.200111.9I69 R137 L138 I139 C143 S144 A145I69-E141 HydrophobicContact CD1-CB 3.93Å; I69-E141 HydrophobicContact CD1-CG 4.47Å; I69-E141 HydrophobicContact CG1-CB 4.47Å; I69-E141 HydrophobicContact CG2-CG 3.89Å; R137-E141 IonicContact CZ-OE1 3.1Å; R137-E141 IonicContact NE-OE1 3.53Å; R137-E141 IonicContact NH1-OE1 3.74Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 3.22Å; R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.31Å; L138-E141 PolarHBondContact O-N 3.41Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.04Å; E141-C143 PolarHBondContact O-N 3.08Å; E141-S144 PolarHBondContact O-N 3.08Å; E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.46Å
142I93.9Very high88.5Confident15 Ų1557.9 Ų57.98%0.07727%0.27CS..Hα-helixtrans-61-46.6176.8-67.3168.5000110.9L67 I90 L138 I139 A145L67-I142 HydrophobicContact CD1-CD1 4.24Å; L67-I142 HydrophobicContact CD1-CG1 4.43Å; I90-I142 HydrophobicContact CB-CG2 4.03Å; I90-I142 HydrophobicContact CD1-CB 4.05Å; I90-I142 HydrophobicContact CD1-CG2 3.76Å; I90-I142 HydrophobicContact CG1-CG2 3.83Å; L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.93Å; I139-I142 PolarHBondContact O-N 2.91Å; I142-A145 PolarHBondContact O-N 3.31Å
143C94.1Very high87Confident0 Ų061.9 Ų61.90%029%0.289CS..Hα-helixtrans-66.7-38.3177.2-72.30000111.8V106 C109 V110 I139 E141 A145 K146V106-C143 HydrophobicContact CG1-CB 4.19Å; C109-C143 VanDerWaalsContact C-SG 3.58Å; C109-C143 HydrophobicContact CB-CB 3.69Å; C109-C143 WeakPolarHBondContact CB-SG 3.33Å; C109-C143 WeakPolarHBondContact SG-CB 3.5Å; C109-C143 CovalentContact SG-SG 2.05Å; C109-C143 PolarHBondContact SG-SG 2.98Å; V110-C143 HydrophobicContact CG2-CB 4.21Å; I139-C143 WeakPolarHBondContact O-CB 3.38Å; I139-C143 PolarHBondContact O-N 3.33Å; I139-C143 PolarHBondContact O-SG 2.86Å; E141-C143 PolarHBondContact O-N 3.08Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.36Å; C143-K146 WeakPolarHBondContact O-CB 3.38Å; C143-K146 PolarHBondContact O-N 3.46Å; C143-K146 VanDerWaalsContact O-N 3.15Å
144S92.8Very high85.4Confident37 Ų3760.3 Ų60.326%0.25928%0.283SS..Hα-helixtrans-67.8-24.8178.2-620000113.7K140 E141 K146K140-S144 WeakPolarHBondContact O-CB 3.34Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 PolarHBondContact O-OG 3.18Å; E141-S144 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact C-N 3.32Å
145A89.7Confident83.6Confident57 Ų5761.9 Ų61.947%0.47130%0.299SS..THydrogen-bonded Turntrans-77.2-15.8174.800000113.4E141 I142 C143E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.46Å; I142-A145 PolarHBondContact O-N 3.31Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.36Å
146K86.9Confident81.7Confident59 Ų5963.7 Ų63.726%0.25732%0.315SS..  trans-68.9139.8173.7-62-84.7-176.1163.60109.4I90 Y92 L105 C143 S144I90-K146 WeakPolarHBondContact O-CE 3.38Å; I90-K146 PolarHBondContact O-NZ 3.34Å; Y92-K146 PolarHBondContact O-NZ 3.4Å; L105-K146 HydrophobicContact CD2-CB 3.75Å; C143-K146 WeakPolarHBondContact O-CB 3.38Å; C143-K146 PolarHBondContact O-N 3.46Å; C143-K146 VanDerWaalsContact O-N 3.15Å; S144-K146 VanDerWaalsContact C-N 3.32Å
147H84.8Confident79.8Confident111 Ų11161.3 Ų61.351%0.51432%0.32SS..  trans-139.6152.1176.257.2-80.8000108.9W151H147-W151 HydrophobicContact CB-CE3 4.32Å; H147-W151 HydrophobicContact CB-CZ3 4.32Å
148C83.2Confident77.7Confident2 Ų262.2 Ų62.21%0.01433%0.333CS..  trans-103.6136.7171.2-52.90000109.3C95 F150 W151C95-C148 VanDerWaalsContact CA-SG 3.5Å; C95-C148 HydrophobicContact CB-CB 3.65Å; C95-C148 WeakPolarHBondContact CB-SG 2.95Å; C95-C148 WeakPolarHBondContact SG-CA 3.34Å; C95-C148 WeakPolarHBondContact SG-CB 3.25Å; C95-C148 CovalentContact SG-SG 2.04Å; C95-C148 PolarHBondContact SG-SG 2.96Å; C148-F150 HydrophobicContact CB-CD1 3.55Å; C148-F150 HydrophobicContact CB-CE1 3.23Å; C148-F150 HydrophobicContact CB-CG 4.36Å; C148-F150 HydrophobicContact CB-CZ 3.83Å; C148-F150 PolarHBondContact O-N 2.95Å; C148-W151 HydrophobicContact CB-CD2 4.29Å; C148-W151 WeakPolarHBondContact O-CB 3.28Å; C148-W151 PolarHBondContact O-N 3.43Å; C148-W151 VanDerWaalsContact O-N 3.08Å
149D79.9Confident75.7Confident117 Ų11770.4 Ų70.463%0.62636%0.364SS*.THydrogen-bonded Turntrans-60.4-34.9-174.7-64.6-39.2000112.2W151 L152D149-W151 PolarHBondContact O-N 3.41Å; D149-W151 VanDerWaalsContact O-N 3.13Å; D149-L152 WeakPolarHBondContact O-CB 3.42Å; D149-L152 PolarHBondContact O-N 3.01Å
150F74.9Confident73.6Confident39 Ų3975 Ų7517%0.17139%0.392CS..Hα-helixtrans-63.1-19.6178.170.5-99.7000114.3V100 C148 L152 E153 R154V100-F150 HydrophobicContact CB-CZ 4.41Å; C148-F150 HydrophobicContact CB-CD1 3.55Å; C148-F150 HydrophobicContact CB-CE1 3.23Å; C148-F150 HydrophobicContact CB-CG 4.36Å; C148-F150 HydrophobicContact CB-CZ 3.83Å; C148-F150 PolarHBondContact O-N 2.95Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.39Å; F150-E153 PolarHBondContact O-N 3Å; F150-R154 PolarHBondContact O-N 3.44Å; F150-R154 VanDerWaalsContact O-N 3.12Å
151W75.1Confident71.7Confident57 Ų5772.7 Ų72.722%0.21639%0.391CS..Hα-helixtrans-67.6-30.2172.5-68.3-13.5000112.3V100 T101 K102 L105 H147 C148 D149 E153V100-W151 WeakPolarHBondContact O-CZ2 3.38Å; V100-W151 PolarHBondContact O-NE1 3.03Å; T101-W151 VanDerWaalsContact C-CZ2 3.47Å; K102-W151 VanDerWaalsContact CA-CZ2 3.45Å; K102-W151 HydrophobicContact CB-CE3 4.46Å; K102-W151 HydrophobicContact CB-CH2 3.59Å; K102-W151 HydrophobicContact CB-CZ2 4.05Å; K102-W151 HydrophobicContact CB-CZ3 3.78Å; K102-W151 HydrophobicContact CD-CZ3 4.24Å; K102-W151 HydrophobicContact CG-CH2 3.81Å; K102-W151 HydrophobicContact CG-CZ3 3.75Å; L105-W151 HydrophobicContact CB-CH2 3.92Å; L105-W151 HydrophobicContact CB-CZ2 4.2Å; L105-W151 HydrophobicContact CD2-CH2 3.58Å; L105-W151 HydrophobicContact CD2-CZ2 4.36Å; L105-W151 HydrophobicContact CD2-CZ3 4.3Å; L105-W151 HydrophobicContact CG-CH2 4.34Å; H147-W151 HydrophobicContact CB-CE3 4.32Å; H147-W151 HydrophobicContact CB-CZ3 4.32Å; C148-W151 HydrophobicContact CB-CD2 4.29Å; C148-W151 WeakPolarHBondContact O-CB 3.28Å; C148-W151 PolarHBondContact O-N 3.43Å; C148-W151 VanDerWaalsContact O-N 3.08Å; D149-W151 PolarHBondContact O-N 3.41Å; D149-W151 VanDerWaalsContact O-N 3.13Å; W151-E153 VanDerWaalsContact C-N 3.34Å
152L67.4Low69.9Low125 Ų12574.4 Ų74.465%0.65441%0.405SS*.Hα-helixtrans-71.1-35.3174.7-62.7169.4000110.6D149 F150 G155 A156D149-L152 WeakPolarHBondContact O-CB 3.42Å; D149-L152 PolarHBondContact O-N 3.01Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.39Å; L152-G155 PolarHBondContact O-N 3.26Å; L152-A156 PolarHBondContact O-N 2.99Å
153E59.8Low68.3Low138 Ų13878.6 Ų78.665%0.64543%0.428SS*.Hα-helixtrans-73.4-35.7-178.9-65.6-174.1165.100113.5F150 W151 G155 A156 A157F150-E153 PolarHBondContact O-N 3Å; W151-E153 VanDerWaalsContact C-N 3.34Å; E153-G155 PolarHBondContact O-N 2.98Å; E153-A156 WeakPolarHBondContact O-CA 3.34Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 3.34Å; E153-A157 PolarHBondContact O-N 2.94Å
154R58.9Low66.8Low126 Ų12684.6 Ų84.648%0.47546%0.456SS..Hα-helixtrans-58.6-34.4171.3-73.5-178.9-173.3-169.4-3.6112.1A98 N99 F150 A156A98-R154 PolarHBondContact O-NH2 2.63Å; N99-R154 PolarHBondContact OD1-NH2 2.98Å; F150-R154 PolarHBondContact O-N 3.44Å; F150-R154 VanDerWaalsContact O-N 3.12Å; R154-A156 VanDerWaalsContact C-N 3.35Å
155G56Low65.5Low35 Ų3586.3 Ų86.336%0.36147%0.466SS..Hα-helixtrans-72.7-25.8171.400000113.6L152 E153 R159L152-G155 PolarHBondContact O-N 3.26Å; E153-G155 PolarHBondContact O-N 2.98Å; G155-R159 WeakPolarHBondContact O-CG 3.48Å; G155-R159 PolarHBondContact O-N 3.38Å
156A53.2Low64.5Low42 Ų4286 Ų8635%0.34746%0.463SS..Hα-helixtrans-76.1-38.5177.400000112.4L152 E153 R154 L158 R159 V160L152-A156 PolarHBondContact O-N 2.99Å; E153-A156 WeakPolarHBondContact O-CA 3.34Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 3.34Å; R154-A156 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.38Å; A156-R159 WeakPolarHBondContact O-CA 3.39Å; A156-R159 WeakPolarHBondContact O-CB 3.46Å; A156-R159 PolarHBondContact O-N 2.99Å; A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.93Å
157A52.2Low63.6Low67 Ų6788.5 Ų88.555%0.55448%0.477SS*.Hα-helixtrans-59.3-38.3172.800000111.8E153 R159 V160 A161E153-A157 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.31Å; A157-R159 PolarHBondContact O-N 3.05Å; A157-V160 PolarHBondContact O-N 3.35Å; A157-A161 PolarHBondContact O-N 3.1Å; A157-A161 VanDerWaalsContact O-N 3.08Å
158L50.4Low63Low128 Ų12887.7 Ų87.767%0.6748%0.48SS*.Hα-helixtrans-67.1-30.6173-152.698.5000112.6A156 V162A156-L158 PolarHBondContact O-N 3.38Å; L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.44Å; L158-V162 PolarHBondContact O-N 2.87Å
159R51.7Low62.5Low172 Ų17290.4 Ų90.465%0.64950%0.498SS*.Hα-helixtrans-69.3-42.2174-70.5171.8-172.3-173.61.5111.4G155 A156 A157 A161 V162 D163G155-R159 WeakPolarHBondContact O-CG 3.48Å; G155-R159 PolarHBondContact O-N 3.38Å; A156-R159 WeakPolarHBondContact O-CA 3.39Å; A156-R159 WeakPolarHBondContact O-CB 3.46Å; A156-R159 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact C-N 3.31Å; A157-R159 PolarHBondContact O-N 3.05Å; R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.42Å; R159-V162 PolarHBondContact O-N 3.43Å; R159-V162 VanDerWaalsContact O-N 3.08Å; R159-D163 PolarHBondContact O-N 3.32Å
160V51.9Low62.3Low98 Ų9889.8 Ų89.859%0.59449%0.494SS*.Hα-helixtrans-60.5-40.8175.3177.30000110.9A156 A157 V162 D163 Q164A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.93Å; A157-V160 PolarHBondContact O-N 3.35Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 2.93Å; V160-D163 PolarHBondContact O-N 3.47Å; V160-Q164 PolarHBondContact O-N 3.19Å; V160-Q164 VanDerWaalsContact O-N 3.1Å
161A53.9Low62.5Low54 Ų5493.6 Ų93.645%0.44652%0.516SS..Hα-helixtrans-67.7-26.1176.100000113.8A157 R159 P165A157-A161 PolarHBondContact O-N 3.1Å; A157-A161 VanDerWaalsContact O-N 3.08Å; R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.42Å; A161-P165 WeakPolarHBondContact O-CD 3.3Å
162V57.6Low62.6Low84 Ų8492.5 Ų92.551%0.50952%0.522SS..Hα-helixtrans-81.9-30.4176170.90000111.9L158 R159 V160 P165L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.44Å; L158-V162 PolarHBondContact O-N 2.87Å; R159-V162 PolarHBondContact O-N 3.43Å; R159-V162 VanDerWaalsContact O-N 3.08Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 2.93Å; V162-P165 VanDerWaalsContact O-CD 3.27Å; V162-P165 WeakPolarHBondContact O-CD 3.48Å; V162-P165 VanDerWaalsContact O-CG 3.28Å; V162-P165 WeakPolarHBondContact O-CG 3.35Å
163D59.6Low62.8Low103 Ų10388.6 Ų88.655%0.55150%0.5SS*.Hα-helixtrans-74.5-28.2173.4-71.9-34.2000112.1R159 V160 A166 M167R159-D163 PolarHBondContact O-N 3.32Å; V160-D163 PolarHBondContact O-N 3.47Å; D163-A166 WeakPolarHBondContact O-CB 3.35Å; D163-A166 PolarHBondContact O-N 3.45Å; D163-M167 WeakPolarHBondContact O-CG 3.35Å; D163-M167 PolarHBondContact O-N 3.35Å
164Q63.6Low63.6Low126 Ų12686.2 Ų86.259%0.58950%0.495SS*.Hα-helixtrans-56.3-49.2178.7-163176.5-17.200114.5V160 A166 M167 V168V160-Q164 PolarHBondContact O-N 3.19Å; V160-Q164 VanDerWaalsContact O-N 3.1Å; Q164-A166 VanDerWaalsContact C-N 3.34Å; Q164-A166 PolarHBondContact O-N 3.18Å; Q164-M167 PolarHBondContact O-N 3.39Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.34Å
165P65.5Low64.5Low72 Ų7288 Ų8847%0.46850%0.501SS..Hα-helixtrans-67-32.7175.825.1-34.2000112.7A161 V162 M167 V168 C169A161-P165 WeakPolarHBondContact O-CD 3.3Å; V162-P165 VanDerWaalsContact O-CD 3.27Å; V162-P165 WeakPolarHBondContact O-CD 3.48Å; V162-P165 VanDerWaalsContact O-CG 3.28Å; V162-P165 WeakPolarHBondContact O-CG 3.35Å; P165-M167 VanDerWaalsContact C-N 3.34Å; P165-V168 PolarHBondContact O-N 3.19Å; P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 3.4Å; P165-C169 PolarHBondContact O-SG 3.18Å
166A68.1Low65.2Low50 Ų5092.4 Ų92.441%0.41351%0.511SS..Hα-helixtrans-64.4-41.2174.700000111.3D163 Q164 C169 L170D163-A166 WeakPolarHBondContact O-CB 3.35Å; D163-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact C-N 3.34Å; Q164-A166 PolarHBondContact O-N 3.18Å; A166-C169 PolarHBondContact O-N 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 WeakPolarHBondContact O-CG 3.33Å; A166-L170 PolarHBondContact O-N 3.08Å
167M68.5Low66.2Low112 Ų11296.5 Ų96.555%0.55253%0.526SS*.Hα-helixtrans-65.5-41.8174.7-69.7-62.3-68.600112.4D163 Q164 P165 L170 L171D163-M167 WeakPolarHBondContact O-CG 3.35Å; D163-M167 PolarHBondContact O-N 3.35Å; Q164-M167 PolarHBondContact O-N 3.39Å; P165-M167 VanDerWaalsContact C-N 3.34Å; M167-L170 PolarHBondContact O-N 2.93Å; M167-L170 HydrophobicContact SD-CD1 4.4Å; M167-L171 WeakPolarHBondContact O-CG 3.05Å; M167-L171 PolarHBondContact O-N 2.94Å
168V72.6Confident67.2Low94 Ų9499 Ų9957%0.5753%0.534SS*.Hα-helixtrans-64.8-41.7175.6173.60000111.2Q164 P165 L171 G172Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.34Å; P165-V168 PolarHBondContact O-N 3.19Å; V168-L171 PolarHBondContact O-N 2.91Å; V168-G172 PolarHBondContact O-N 2.98Å
169C72.9Confident67.5Low60 Ų60102.4 Ų102.441%0.40554%0.544SS..Hα-helixtrans-59.3-48.9173.1-81.40000111.3P165 A166 L171 G172 F173P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 3.4Å; P165-C169 PolarHBondContact O-SG 3.18Å; A166-C169 PolarHBondContact O-N 3.27Å; C169-L171 VanDerWaalsContact C-N 3.35Å; C169-L171 PolarHBondContact O-N 3.25Å; C169-G172 PolarHBondContact O-N 3.46Å; C169-F173 HydrophobicContact CB-CE2 4.45Å; C169-F173 WeakPolarHBondContact O-CD2 3.34Å; C169-F173 PolarHBondContact O-N 3.49Å
170L75.7Confident68.3Low104 Ų10499 Ų9955%0.54554%0.538SS..Hα-helixtrans-59.2-43.7177.9-76.4167.3000112.1A166 M167 G172 F173 V174A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 WeakPolarHBondContact O-CG 3.33Å; A166-L170 PolarHBondContact O-N 3.08Å; M167-L170 PolarHBondContact O-N 2.93Å; M167-L170 HydrophobicContact SD-CD1 4.4Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 3.33Å; L170-F173 PolarHBondContact O-N 3.43Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.39Å
171L77.5Confident69.1Low119 Ų11999 Ų9962%0.62354%0.535SS*.Hα-helixtrans-62.4-41.3175.4-73.6167.5000111.9M167 V168 C169 V174 W175M167-L171 WeakPolarHBondContact O-CG 3.05Å; M167-L171 PolarHBondContact O-N 2.94Å; V168-L171 PolarHBondContact O-N 2.91Å; C169-L171 VanDerWaalsContact C-N 3.35Å; C169-L171 PolarHBondContact O-N 3.25Å; L171-V174 PolarHBondContact O-N 3.35Å; L171-W175 WeakPolarHBondContact O-CB 3.26Å; L171-W175 PolarHBondContact O-N 2.89Å
172G77.1Confident70Confident34 Ų34101.5 Ų101.535%0.35154%0.54SS..Hα-helixtrans-61.3-41.9173.900000112.5V168 C169 L170 W175 F176V168-G172 PolarHBondContact O-N 2.98Å; C169-G172 PolarHBondContact O-N 3.46Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 3.33Å; G172-W175 PolarHBondContact O-N 2.93Å; G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 3.37Å
173F71.9Confident70.7Confident42 Ų42102.5 Ų102.518%0.18454%0.542CS..Hα-helixtrans-63.8-45.8174.5-80.1-67.2000112.3V10 A11 C14 C169 L170 W175 F176 I177V10-F173 HydrophobicContact CB-CE1 4.36Å; V10-F173 HydrophobicContact CG1-CE1 3.82Å; V10-F173 HydrophobicContact CG1-CZ 3.87Å; A11-F173 HydrophobicContact CB-CE1 3.95Å; A11-F173 HydrophobicContact CB-CZ 4.39Å; C14-F173 HydrophobicContact CB-CE2 3.82Å; C14-F173 HydrophobicContact CB-CZ 3.74Å; C14-F173 VanDerWaalsContact SG-CZ 3.53Å; C169-F173 HydrophobicContact CB-CE2 4.45Å; C169-F173 WeakPolarHBondContact O-CD2 3.34Å; C169-F173 PolarHBondContact O-N 3.49Å; L170-F173 PolarHBondContact O-N 3.43Å; F173-W175 VanDerWaalsContact C-N 3.33Å; F173-W175 PolarHBondContact O-N 3.46Å; F173-F176 PolarHBondContact O-N 3.49Å; F173-I177 VanDerWaalsContact O-CG1 3.23Å; F173-I177 WeakPolarHBondContact O-CG1 3.44Å; F173-I177 PolarHBondContact O-N 2.98Å
174V77.2Confident71.4Confident88 Ų88102.5 Ų102.553%0.53354%0.542SS..Hα-helixtrans-61.2-44.4177.4172.80000110.3L170 L171 F176 I177 V178L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.39Å; L171-V174 PolarHBondContact O-N 3.35Å; V174-F176 VanDerWaalsContact C-N 3.34Å; V174-F176 PolarHBondContact O-N 3.19Å; V174-I177 PolarHBondContact O-N 3.44Å; V174-V178 HydrophobicContact CG1-CG2 4.27Å; V174-V178 WeakPolarHBondContact O-CB 3.41Å; V174-V178 VanDerWaalsContact O-CG2 3.26Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.19Å
175W78.5Confident71.9Confident163 Ų163100.9 Ų100.962%0.61754%0.538SS*.Hα-helixtrans-63.1-39.3177.9-169.271.3000112.7L171 G172 F173 I177 V178 K179L171-W175 WeakPolarHBondContact O-CB 3.26Å; L171-W175 PolarHBondContact O-N 2.89Å; G172-W175 PolarHBondContact O-N 2.93Å; F173-W175 VanDerWaalsContact C-N 3.33Å; F173-W175 PolarHBondContact O-N 3.46Å; W175-I177 VanDerWaalsContact C-N 3.33Å; W175-I177 PolarHBondContact O-N 3.29Å; W175-V178 PolarHBondContact O-N 3.47Å; W175-K179 HydrophobicContact CH2-CD 4.1Å; W175-K179 HydrophobicContact CZ2-CD 3.81Å; W175-K179 WeakPolarHBondContact O-CB 3.23Å; W175-K179 PolarHBondContact O-N 2.99Å
176F70.7Confident72.4Confident128 Ų128103 Ų10356%0.56154%0.544SS*.Hα-helixtrans-70.6-23.5175.2-112.9-82.7000114.3G172 F173 V174G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 3.37Å; F173-F176 PolarHBondContact O-N 3.49Å; V174-F176 VanDerWaalsContact C-N 3.34Å; V174-F176 PolarHBondContact O-N 3.19Å
177I73.1Confident72.7Confident128 Ų128107.1 Ų107.166%0.65655%0.554SS**Hα-helixtrans-83.4-33.6176.1-69.6166.4000110.8F173 V174 W175F173-I177 VanDerWaalsContact O-CG1 3.23Å; F173-I177 WeakPolarHBondContact O-CG1 3.44Å; F173-I177 PolarHBondContact O-N 2.98Å; V174-I177 PolarHBondContact O-N 3.44Å; W175-I177 VanDerWaalsContact C-N 3.33Å; W175-I177 PolarHBondContact O-N 3.29Å
178V73.3Confident73.1Confident121 Ų121106.7 Ų106.773%0.73355%0.554SS**Hα-helixtrans-81.2-17.3-178.4174.80000112.5V174 W175V174-V178 HydrophobicContact CG1-CG2 4.27Å; V174-V178 WeakPolarHBondContact O-CB 3.41Å; V174-V178 VanDerWaalsContact O-CG2 3.26Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.19Å; W175-V178 PolarHBondContact O-N 3.47Å
179K56.5Low73.1Confident199 Ų199107.8 Ų107.887%0.86555%0.552SS**  trans-1100-177.8-164.7173.7-178.870.90112.6W175W175-K179 HydrophobicContact CH2-CD 4.1Å; W175-K179 HydrophobicContact CZ2-CD 3.81Å; W175-K179 WeakPolarHBondContact O-CB 3.23Å; W175-K179 PolarHBondContact O-N 2.99Å

Retrieved 179 of 179 residues in 175.4 ms (Link to these results)