A0A060D100_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D100, Species MAIZE (Zea mays, Maize), Gene EREB62, Length 311 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
1M53.4Low65.3Low234 Ų234159.5 Ų159.5100%1.15383%0.826SS**  093.90-52.1-165.7-150.600105.2
2E49.8Very low63.9Low177 Ų177163.1 Ų163.183%0.82783%0.831SS**  53.9119.194.7-93.9-172.1118.100110.3
3L64.5Low63.5Low144 Ų144165.2 Ų165.275%0.75484%0.836SS**  cis-151.8132.149.9-69.1171.6000112
4H66.4Low62.8Low196 Ų196166.1 Ų166.191%0.90784%0.843SS**  trans-76128.7157-91.870.5000108.2
5F67.9Low62.3Low186 Ų186168 Ų16882%0.81685%0.847SS**  trans-125.999.7170.5-153.9-94.6000109.3P7F5-P7 HydrophobicContact CE1-CB 4.41Å
6Q70.2Confident61.9Low174 Ų174161.1 Ų161.181%0.81383%0.831SS**PPolyproline II helixtrans-97.4120.7160.2-92.6-161.33.700108.3
7P73.2Confident61.6Low107 Ų107165.6 Ų165.670%0.69584%0.837SS**PPolyproline II helixtrans-85.7124.1163.729.3-26.2000110.7F5F5-P7 HydrophobicContact CE1-CB 4.41Å
8Q68.9Low61.3Low166 Ų166163.4 Ų163.478%0.77683%0.833SS**PPolyproline II helixtrans-74.8150.3171-67.2-121.4-0.800111.5
9P67.7Low61.2Low109 Ų109159.4 Ų159.471%0.70882%0.821SS**PPolyproline II helixtrans-78.1140.2172.431.6-32.2000111.5
10P70.4Confident61.4Low125 Ų125155.8 Ų155.881%0.81281%0.811SS**PPolyproline II helixtrans-75.4147.9175.829-32.5000113.1
11V66.1Low61.5Low136 Ų136152.3 Ų152.382%0.82480%0.8SS**PPolyproline II helixtrans-66.7138.5-173.9178.90000112.3
12F48.3Very low62.2Low203 Ų203144.6 Ų144.689%0.8977%0.769SS**PPolyproline II helixtrans-62.8126.1171.8-80.9-97.6000111.6
13Q58.2Low63Low190 Ų190143.1 Ų143.189%0.88876%0.757SS**  trans-104.8123.5159.8-105.2155.3-3500109.5E15Q13-E15 PolarHBondContact O-N 3.43Å
14L53.9Low63.3Low179 Ų179144.4 Ų144.494%0.93775%0.753SS**  trans-84.598.3-177.9-163.492.2000108.7
15E55.4Low63.5Low194 Ų194142.3 Ų142.391%0.90774%0.738SS**  trans-105.9117.2154-68.3-167.3165.700105.5Q13Q13-E15 PolarHBondContact O-N 3.43Å
16G56.4Low63.6Low57 Ų57141.4 Ų141.459%0.58873%0.731SS**  101.976.85700000108.3
17Y55.9Low63.5Low239 Ų239139.8 Ų139.894%0.93772%0.718SS**  trans47.683.1154.2-73.1-94.6000119.2
18T57.1Low63.3Low125 Ų125141.2 Ų141.277%0.76772%0.715SS**  trans-140.6-3.9151.763.40000115.2S20 S21T18-S20 PolarHBondContact O-N 3.42Å; T18-S21 PolarHBondContact O-N 3.21Å
19S59.9Low63.1Low87 Ų87139.3 Ų139.361%0.60871%0.706SS**Hα-helixtrans-66.3-27-167.3-169.70000115.3S21 S22 Y23S19-S21 PolarHBondContact O-N 3.46Å; S19-S22 PolarHBondContact O-N 3.34Å; S19-Y23 PolarHBondContact O-N 3.29Å
20S63.7Low62.9Low87 Ų87139.2 Ų139.261%0.60870%0.697SS**Hα-helixtrans-69.3-32.9-177.3-170.20000113.5T18 Y24T18-S20 PolarHBondContact O-N 3.42Å; S20-Y24 PolarHBondContact O-N 3.28Å
21S65.4Low62.5Low83 Ų83136.5 Ų136.558%0.5869%0.685SS**Hα-helixtrans-73.4-36.5179.5-169.40000112.1T18 S19 Y23 Y24 Y25T18-S21 PolarHBondContact O-N 3.21Å; S19-S21 PolarHBondContact O-N 3.46Å; S21-Y23 VanDerWaalsContact C-N 3.34Å; S21-Y23 PolarHBondContact O-N 3.02Å; S21-Y24 PolarHBondContact O-N 3.33Å; S21-Y25 PolarHBondContact O-N 3.11Å
22S66.7Low62.2Low73 Ų73133.7 Ų133.751%0.5168%0.675SS.*Hα-helixtrans-64.2-38.4175.6169.10000112.1S19 Y25 Y26S19-S22 PolarHBondContact O-N 3.34Å; S22-Y25 PolarHBondContact O-N 3.46Å; S22-Y26 PolarHBondContact O-N 3.42Å; S22-Y26 VanDerWaalsContact O-N 3.11Å
23Y67.2Low62.8Low146 Ų146126.9 Ų126.957%0.57366%0.657SS**Hα-helixtrans-68.6-38.2178.8-122.5-91.5000112.5S19 S21 Y27S19-Y23 PolarHBondContact O-N 3.29Å; S21-Y23 VanDerWaalsContact C-N 3.34Å; S21-Y23 PolarHBondContact O-N 3.02Å; Y23-Y27 AromaticContact CD1-CD2 4Å; Y23-Y27 HydrophobicContact CD1-CD2 4Å; Y23-Y27 AromaticContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CD1-CE2 3.49Å; Y23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CE1-CD2 4.45Å; Y23-Y27 AromaticContact CE1-CE2 3.54Å; Y23-Y27 HydrophobicContact CE1-CE2 3.54Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.27Å; Y23-Y27 PolarHBondContact O-N 3.4Å
24Y70.5Confident62.9Low171 Ų171125.9 Ų125.967%0.67165%0.652SS**Hα-helixtrans-70.1-34.1173.7-91.8-81.7000112.7S20 S21 Q28S20-Y24 PolarHBondContact O-N 3.28Å; S21-Y24 PolarHBondContact O-N 3.33Å; Y24-Q28 VanDerWaalsContact O-CB 3.27Å; Y24-Q28 WeakPolarHBondContact O-CB 3.5Å; Y24-Q28 PolarHBondContact O-N 3.14Å
25Y70.4Confident63Low152 Ų152121 Ų12160%0.59664%0.638SS**Hα-helixtrans-68.1-33.9176.7-119.3-88.1000113.1S21 S22 Q29S21-Y25 PolarHBondContact O-N 3.11Å; S22-Y25 PolarHBondContact O-N 3.46Å; Y25-Q29 WeakPolarHBondContact O-CG 3.34Å; Y25-Q29 PolarHBondContact O-N 3.04Å; Y25-Q29 VanDerWaalsContact O-N 3.14Å
26Y69.4Low63.2Low167 Ų167120 Ų12066%0.65563%0.63SS**Hα-helixtrans-69.8-46.7177.4-120.8-86.9000112S22 Q28 Q29 E30S22-Y26 PolarHBondContact O-N 3.42Å; S22-Y26 VanDerWaalsContact O-N 3.11Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Y26-Q29 PolarHBondContact O-N 3.26Å; Y26-E30 PolarHBondContact O-N 2.94Å
27Y69.8Low63.4Low140 Ų140122.7 Ų122.755%0.54964%0.637SS.*Hα-helixtrans-68.9-33.2178.6-77.9-58.7000113.2Y23 E30 A31Y23-Y27 AromaticContact CD1-CD2 4Å; Y23-Y27 HydrophobicContact CD1-CD2 4Å; Y23-Y27 AromaticContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CD1-CE2 3.49Å; Y23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CE1-CD2 4.45Å; Y23-Y27 AromaticContact CE1-CE2 3.54Å; Y23-Y27 HydrophobicContact CE1-CE2 3.54Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.27Å; Y23-Y27 PolarHBondContact O-N 3.4Å; Y27-E30 PolarHBondContact O-N 3.38Å; Y27-A31 WeakPolarHBondContact O-CB 3.44Å; Y27-A31 PolarHBondContact O-N 3.46Å
28Q68.3Low63.5Low136 Ų136116.9 Ų116.964%0.63663%0.632SS**Hα-helixtrans-73-30.5177.5-151.5163.655.400111.9Y24 Y26 A32Y24-Q28 VanDerWaalsContact O-CB 3.27Å; Y24-Q28 WeakPolarHBondContact O-CB 3.5Å; Y24-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Q28-A32 WeakPolarHBondContact O-CB 3.39Å; Q28-A32 PolarHBondContact O-N 3.11Å; Q28-A32 VanDerWaalsContact O-N 3.11Å
29Q63.5Low63.5Low126 Ų126119.3 Ų119.359%0.58963%0.632SS**Hα-helixtrans-69.6-38.3169.3-81.7-176.426.900112.8Y25 Y26 A32 A33Y25-Q29 WeakPolarHBondContact O-CG 3.34Å; Y25-Q29 PolarHBondContact O-N 3.04Å; Y25-Q29 VanDerWaalsContact O-N 3.14Å; Y26-Q29 PolarHBondContact O-N 3.26Å; Q29-A32 PolarHBondContact O-N 3.39Å; Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 3.43Å
30E64.1Low63.4Low108 Ų108121.1 Ų121.151%0.50564%0.641SS.*Hα-helixtrans-70-35.9176.5-110.6173.8170.400112.8Y26 Y27 A33 Q34Y26-E30 PolarHBondContact O-N 2.94Å; Y27-E30 PolarHBondContact O-N 3.38Å; E30-A33 PolarHBondContact O-N 3.05Å; E30-Q34 PolarHBondContact O-N 3.33Å
31A61.6Low62.7Low68 Ų68128.3 Ų128.356%0.56266%0.655SS**Hα-helixtrans-66.4-37.9172.800000112.1Y27 A33Y27-A31 WeakPolarHBondContact O-CB 3.44Å; Y27-A31 PolarHBondContact O-N 3.46Å; A31-A33 VanDerWaalsContact C-N 3.33Å
32A60.9Low61.9Low76 Ų76129.7 Ų129.763%0.62866%0.664SS**Hα-helixtrans-71.1-27.6174.200000112.8Q28 Q29Q28-A32 WeakPolarHBondContact O-CB 3.39Å; Q28-A32 PolarHBondContact O-N 3.11Å; Q28-A32 VanDerWaalsContact O-N 3.11Å; Q29-A32 PolarHBondContact O-N 3.39Å
33A60.5Low61.2Low60 Ų60136.7 Ų136.750%0.49668%0.679SS.*Hα-helixtrans-73.2-26.2178.600000113.5Q29 E30 A31Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 3.43Å; E30-A33 PolarHBondContact O-N 3.05Å; A31-A33 VanDerWaalsContact C-N 3.33Å
34Q59.5Low60.5Low169 Ų169139.1 Ų139.179%0.7969%0.692SS**Hα-helixtrans-92.8-12.4-176.4-64.3-157.847.900114.9E30 K36E30-Q34 PolarHBondContact O-N 3.33Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.96Å
35A58Low59.7Low77 Ų77140.4 Ų140.464%0.63670%0.701SS**  trans-89.935.5-178.800000114.1P37A35-P37 WeakPolarHBondContact O-CD 3.42Å
36K59.3Low58.7Low174 Ų174136.2 Ų136.276%0.75770%0.704SS**  trans-74.2117.4171.9-66.8-175-174.7178.30108.6Q34 S38Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.96Å; K36-S38 PolarHBondContact O-N 2.77Å
37P60.4Low58Low112 Ų112133.6 Ų133.673%0.72771%0.71SS**  trans-59.5120.6177.624.2-32.4000108.3A35 K39A35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-K39 PolarHBondContact O-N 3.25Å
38S57.7Low57.1Low118 Ų118133.6 Ų133.683%0.82572%0.72SS**  trans-62.588.1169.755.90000107.9K36K36-S38 PolarHBondContact O-N 2.77Å
39K57.7Low56.3Low176 Ų176132.1 Ų132.177%0.76572%0.716SS**  trans-51.5131.5162.7-81.8169.4177.1170.10106.1P37 R41P37-K39 PolarHBondContact O-N 3.25Å; K39-R41 PolarHBondContact O-N 3.37Å
40P56.1Low56.1Low125 Ų125132.6 Ų132.681%0.81272%0.718SS**  trans-54.3112.3171.323.1-31.1000105.7C42P40-C42 PolarHBondContact O-N 2.88Å
41R50.8Low55.9Low238 Ų238130.7 Ų130.790%0.89872%0.717SS**  trans-67.976.7173.4-86-178.5148176.7-5.1106.2K39 R43K39-R41 PolarHBondContact O-N 3.37Å; R41-R43 PolarHBondContact O-N 3.21Å
42C47.1Very low57Low112 Ų112137 Ų13776%0.75773%0.732SS**  trans-53.3115.1152.7-171.90000104P40 K44P40-C42 PolarHBondContact O-N 2.88Å; C42-K44 PolarHBondContact O-N 3.04Å
43R53.5Low58.5Low219 Ų219135.5 Ų135.583%0.82671%0.711SS**  trans-63.777.5-179.6-67176.3176.4160.6-0107.7R41 K45R41-R43 PolarHBondContact O-N 3.21Å; R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 2.84Å
44K52Low60Low197 Ų197135 Ų13586%0.85770%0.702SS**  trans-61.5103.5163.7-107.3175.2175.91760104C42 G46C42-K44 PolarHBondContact O-N 3.04Å; K44-G46 VanDerWaalsContact C-N 3.26Å; K44-G46 PolarHBondContact O-N 3.38Å
45K53.6Low61.6Low199 Ų199128.3 Ų128.387%0.86568%0.678SS**  trans-51.996.4172.9-172.1162.9178.9176.90106.1R43 S47R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 2.84Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.25Å
46G48.8Very low63.4Low63 Ų63125.1 Ų125.165%0.64965%0.65SS**  trans-63.197.5-178.800000107.4K44 N48K44-G46 VanDerWaalsContact C-N 3.26Å; K44-G46 PolarHBondContact O-N 3.38Å; G46-N48 PolarHBondContact O-N 3.48Å
47S54.6Low65.1Low113 Ų113121.5 Ų121.579%0.7963%0.632SS**THydrogen-bonded Turntrans-6910.2-167.3-172.70000114.7K45K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.25Å
48N50.6Low66.7Low139 Ų139120.1 Ų120.174%0.74362%0.616SS**THydrogen-bonded Turntrans-123.710.6-165.9-863.4000116.7G46G46-N48 PolarHBondContact O-N 3.48Å
49N51.6Low68.4Low105 Ų105121.2 Ų121.256%0.56160%0.602SS**SBendtrans-137.882.8-173.8-62.9-27.2000112.8S51N49-S51 PolarHBondContact O-N 3.02Å; N49-S51 PolarHBondContact O-OG 3.46Å
50H59.1Low70.2Confident137 Ų137119.5 Ų119.563%0.63461%0.609SS**SBendtrans39.36.3143.826.763.6000122.5W64H50-W64 WeakPolarHBondContact O-CH2 3.41Å; H50-W64 WeakPolarHBondContact O-CZ3 3.28Å
51S61.7Low71.9Confident68 Ų68117.6 Ų117.648%0.47660%0.599SS.*  trans-130.896.6-179.258.80000110.1N49 F53N49-S51 PolarHBondContact O-N 3.02Å; N49-S51 PolarHBondContact O-OG 3.46Å; S51-F53 VanDerWaalsContact C-N 3.34Å
52K83.8Confident73.9Confident200 Ų200108 Ų10887%0.8757%0.573SS**  trans-79.7-19.7178.7-64.3174.4-176.5173.20112.2
53F92.7Very high76.2Confident44 Ų44108.1 Ų108.119%0.19356%0.558CS.*SBendtrans-111.4139-169.9-55.4-69.5000112.4S51 V56 A85 E86 A89 N107 F108S51-F53 VanDerWaalsContact C-N 3.34Å; F53-V56 HydrophobicContact CB-CB 4.13Å; F53-V56 HydrophobicContact CB-CG2 3.92Å; F53-V56 PolarHBondContact O-N 3.45Å; F53-A85 HydrophobicContact CD2-CB 3.84Å; F53-A85 HydrophobicContact CE2-CB 3.78Å; F53-E86 HydrophobicContact CE2-CG 4.25Å; F53-E86 HydrophobicContact CZ-CG 4.08Å; F53-A89 HydrophobicContact CB-CB 3.58Å; F53-A89 HydrophobicContact CD1-CB 3.78Å; F53-A89 HydrophobicContact CD2-CB 4.01Å; F53-A89 HydrophobicContact CE1-CB 4.46Å; F53-A89 HydrophobicContact CG-CB 3.52Å; F53-N107 HydrophobicContact CD1-CB 4.12Å; F53-F108 HydrophobicContact CD1-CZ 4.32Å; F53-F108 AromaticContact CE1-CE1 3.94Å; F53-F108 HydrophobicContact CE1-CE1 3.94Å; F53-F108 AromaticContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CZ-CE1 4.49Å; F53-F108 HydrophobicContact CZ-CZ 4.3Å
54V92.3Very high78.2Confident51 Ų5199.6 Ų99.631%0.30953%0.526SS..THydrogen-bonded Turntrans-65.3135.6173.9-177.90000109.4V56 Y92 N107V54-V56 PolarHBondContact O-N 3.46Å; V54-Y92 HydrophobicContact CB-CE1 4.36Å; V54-Y92 HydrophobicContact CG1-CE1 3.91Å; V54-N107 VanDerWaalsContact CB-OD1 3.29Å; V54-N107 WeakPolarHBondContact CB-OD1 3.39Å; V54-N107 PolarHBondContact N-OD1 3.2Å; V54-N107 PolarHBondContact O-ND2 2.91Å
55G93Very high80.3Confident27 Ų2790.5 Ų90.528%0.27849%0.486SS..THydrogen-bonded Turntrans79.80.2177.800000114.9A66 E67G55-A66 WeakPolarHBondContact O-CA 3.28Å; G55-E67 PolarHBondContact O-N 2.87Å
56V95.2Very high82.4Confident10 Ų1081 Ų816%0.06145%0.445CS..EExtended strand (participates in β ladder)trans-112.3129.5-178-177.50000110.5F53 V54 W64 V65 A88 A89F53-V56 HydrophobicContact CB-CB 4.13Å; F53-V56 HydrophobicContact CB-CG2 3.92Å; F53-V56 PolarHBondContact O-N 3.45Å; V54-V56 PolarHBondContact O-N 3.46Å; V56-W64 HydrophobicContact CG1-CB 4.28Å; V56-W64 HydrophobicContact CG1-CD2 4.44Å; V56-W64 HydrophobicContact CG1-CE3 3.64Å; V56-W64 HydrophobicContact CG1-CZ3 4.39Å; V56-V65 WeakPolarHBondContact CA-O 3.2Å; V56-A88 HydrophobicContact CB-CB 4.39Å; V56-A88 HydrophobicContact CG1-CB 3.74Å; V56-A88 HydrophobicContact CG2-CB 3.74Å; V56-A89 HydrophobicContact CG2-CB 3.99Å
57R94.8Very high84.6Confident98 Ų9881.6 Ų81.637%0.3743%0.431SS..EExtended strand (participates in β ladder)trans-126.1149.8173.561.4-178.4171.683.3-1.1111.1V65 E67R57-V65 HydrophobicContact CG-CB 4.02Å; R57-V65 PolarHBondContact N-O 3.46Å; R57-V65 PolarHBondContact O-N 3.5Å; R57-E67 IonicContact CZ-OE2 3.39Å; R57-E67 IonicContact NE-OE2 2.95Å; R57-E67 PolarHBondContact NE-OE2 3.35Å; R57-E67 IonicContact NH2-OE2 2.91Å; R57-E67 PolarHBondContact NH2-OE2 3.29Å
58Q94.8Very high86.6Confident84 Ų8476.8 Ų76.839%0.39340%0.396SS..EExtended strand (participates in β ladder)trans-99.8129.3175.1-161.9175.920.300109.7W64Q58-W64 HydrophobicContact CB-CE3 4Å; Q58-W64 HydrophobicContact CB-CH2 4.28Å; Q58-W64 HydrophobicContact CB-CZ3 3.84Å; Q58-W64 HydrophobicContact CG-CD2 4.42Å; Q58-W64 HydrophobicContact CG-CE3 4.27Å; Q58-W64 HydrophobicContact CG-CH2 4.24Å; Q58-W64 HydrophobicContact CG-CZ2 4.34Å; Q58-W64 HydrophobicContact CG-CZ3 4.21Å
59R93.3Very high88.7Confident140 Ų14077 Ų7753%0.52839%0.391SS..  trans-86.1153.4171.1-173.8176.9-84.1-89.93.5108.8S61 G62 R63R59-S61 PolarHBondContact O-N 3.16Å; R59-G62 PolarHBondContact O-N 3.4Å; R59-R63 PolarHBondContact N-O 3.24Å; R59-R63 VanDerWaalsContact N-O 3.13Å
60P94Very high90.7Very high140 Ų14072.5 Ų72.591%0.90937%0.366SS*.THydrogen-bonded Turntrans-53.1-21.5171.218.3-34.5000114.7G62P60-G62 PolarHBondContact O-N 3Å
61S92.5Very high92.2Very high86 Ų8671.2 Ų71.260%0.60137%0.368SS*.THydrogen-bonded Turntrans-64.4-14170.9159.70000114.1R59 R63R59-S61 PolarHBondContact O-N 3.16Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.48Å
62G93Very high93.7Very high35 Ų3573.9 Ų73.936%0.36138%0.382SS..SBendtrans91.4-20.3-175.600000114.1R59 P60R59-G62 PolarHBondContact O-N 3.4Å; P60-G62 PolarHBondContact O-N 3Å
63R95.3Very high94Very high116 Ų11668.7 Ų68.744%0.43836%0.361SS..  trans-68146.4176.2-58.3-165.678.41505.8112.3R59 S61R59-R63 PolarHBondContact N-O 3.24Å; R59-R63 VanDerWaalsContact N-O 3.13Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.48Å
64W96.4Very high94.1Very high40 Ų4075.7 Ų75.715%0.15239%0.391CS..EExtended strand (participates in β ladder)trans-94.4137.3176.6-58.487.4000109.8H50 V56 Q58 T81 F82 E83 T84 A85 A88H50-W64 WeakPolarHBondContact O-CH2 3.41Å; H50-W64 WeakPolarHBondContact O-CZ3 3.28Å; V56-W64 HydrophobicContact CG1-CB 4.28Å; V56-W64 HydrophobicContact CG1-CD2 4.44Å; V56-W64 HydrophobicContact CG1-CE3 3.64Å; V56-W64 HydrophobicContact CG1-CZ3 4.39Å; Q58-W64 HydrophobicContact CB-CE3 4Å; Q58-W64 HydrophobicContact CB-CH2 4.28Å; Q58-W64 HydrophobicContact CB-CZ3 3.84Å; Q58-W64 HydrophobicContact CG-CD2 4.42Å; Q58-W64 HydrophobicContact CG-CE3 4.27Å; Q58-W64 HydrophobicContact CG-CH2 4.24Å; Q58-W64 HydrophobicContact CG-CZ2 4.34Å; Q58-W64 HydrophobicContact CG-CZ3 4.21Å; W64-T81 CarbonylContact O-C 3.34Å; W64-T81 VanDerWaalsContact O-CA 3.28Å; W64-T81 WeakPolarHBondContact O-CA 3.44Å; W64-F82 WeakPolarHBondContact CB-O 3.4Å; W64-F82 PolarHBondContact N-O 3.33Å; W64-F82 PolarHBondContact O-N 3Å; W64-E83 PolarHBondContact NE1-O 3.43Å; W64-T84 VanDerWaalsContact CD1-C 3.48Å; W64-A85 HydrophobicContact CD2-CB 3.66Å; W64-A85 HydrophobicContact CE3-CB 3.77Å; W64-A85 HydrophobicContact CG-CB 4.32Å; W64-A85 HydrophobicContact CH2-CB 3.88Å; W64-A85 HydrophobicContact CZ2-CB 3.8Å; W64-A85 HydrophobicContact CZ3-CB 3.86Å; W64-A88 HydrophobicContact CB-CB 4.05Å
65V96Very high94.1Very high5 Ų576.3 Ų76.33%0.0339%0.392CS..EExtended strand (participates in β ladder)trans-119.4131.9178.3-172.40000108.7V56 R57 T81V56-V65 WeakPolarHBondContact CA-O 3.2Å; R57-V65 HydrophobicContact CG-CB 4.02Å; R57-V65 PolarHBondContact N-O 3.46Å; R57-V65 PolarHBondContact O-N 3.5Å; V65-T81 HydrophobicContact CG1-CG2 4.4Å; V65-T81 HydrophobicContact CG2-CG2 3.88Å
66A96.8Very high94.3Very high0 Ų084.7 Ų84.70%042%0.415CS..EExtended strand (participates in β ladder)trans-110134.7172.600000110.6G55 L79 G80 F82 A88G55-A66 WeakPolarHBondContact O-CA 3.28Å; A66-L79 HydrophobicContact CB-CB 4.06Å; A66-L79 HydrophobicContact CB-CD1 4.16Å; A66-L79 WeakPolarHBondContact O-CB 3.37Å; A66-L79 PolarHBondContact O-N 3.02Å; A66-G80 PolarHBondContact N-O 2.92Å; A66-G80 VanDerWaalsContact N-O 3.12Å; A66-G80 PolarHBondContact O-N 3.36Å; A66-F82 HydrophobicContact CB-CD2 4.2Å; A66-F82 HydrophobicContact CB-CE2 3.82Å; A66-A88 HydrophobicContact CB-CB 4.1Å; A66-A88 WeakPolarHBondContact CB-O 3.34Å
67E96.1Very high94.3Very high76 Ų7688.9 Ų88.936%0.35544%0.435SS..EExtended strand (participates in β ladder)trans-145.4143.8176.558-171.8-12800109.4G55 R57 M77 Y92G55-E67 PolarHBondContact O-N 2.87Å; R57-E67 IonicContact CZ-OE2 3.39Å; R57-E67 IonicContact NE-OE2 2.95Å; R57-E67 PolarHBondContact NE-OE2 3.35Å; R57-E67 IonicContact NH2-OE2 2.91Å; R57-E67 PolarHBondContact NH2-OE2 3.29Å; E67-M77 WeakPolarHBondContact CA-O 3.37Å; E67-Y92 WeakPolarHBondContact O-CD2 3.31Å; E67-Y92 WeakPolarHBondContact O-CE2 3.38Å
68I95.5Very high94.3Very high11 Ų1192.3 Ų92.36%0.05645%0.449CS..EExtended strand (participates in β ladder)trans-110135.4175.6-169.5165.7000110.1R76 M77 L79 Y92 A95 A96 L99I68-R76 WeakPolarHBondContact O-CA 3.32Å; I68-M77 HydrophobicContact CG2-CB 3.75Å; I68-M77 HydrophobicContact CG2-CE 3.85Å; I68-M77 HydrophobicContact CG2-CG 4.49Å; I68-M77 PolarHBondContact N-O 2.83Å; I68-M77 PolarHBondContact O-N 2.79Å; I68-L79 HydrophobicContact CB-CD1 4.31Å; I68-L79 HydrophobicContact CG2-CD2 4.01Å; I68-L79 HydrophobicContact CG2-CG 4.36Å; I68-Y92 HydrophobicContact CB-CD2 4.41Å; I68-Y92 HydrophobicContact CB-CE2 4.16Å; I68-Y92 HydrophobicContact CG1-CE2 4.12Å; I68-A95 HydrophobicContact CD1-CB 4.03Å; I68-A96 HydrophobicContact CD1-CB 4.28Å; I68-L99 HydrophobicContact CD1-CB 4.32Å; I68-L99 HydrophobicContact CD1-CD2 3.83Å; I68-L99 HydrophobicContact CG1-CD2 4.25Å
69K95.6Very high94.4Very high144 Ų14490.4 Ų90.463%0.62644%0.441SS*.EExtended strand (participates in β ladder)trans-129.3117.4175.8179.5-179.9179.3-177.60108.6I75 R76K69-I75 WeakPolarHBondContact CA-O 3.4Å; K69-R76 HydrophobicContact CG-CG 4.24Å
70D92.1Very high94.6Very high10 Ų1084.5 Ų84.55%0.05342%0.424CS..EExtended strand (participates in β ladder)trans-113.3120.9171.1-159.6-47.8000110.1T72 Q73 K74 I75 L99 R100D70-T72 WeakPolarHBondContact OD1-CA 3.22Å; D70-T72 VanDerWaalsContact OD1-CB 3.29Å; D70-T72 WeakPolarHBondContact OD1-CB 3.46Å; D70-T72 PolarHBondContact OD1-N 3.27Å; D70-Q73 HydrophobicContact CB-CB 4.38Å; D70-Q73 PolarHBondContact OD1-N 2.84Å; D70-K74 CarbonylContact O-C 3.46Å; D70-K74 WeakPolarHBondContact O-CA 3.49Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-I75 PolarHBondContact N-O 3.5Å; D70-I75 PolarHBondContact O-N 3.42Å; D70-I75 VanDerWaalsContact O-N 3.08Å; D70-L99 HydrophobicContact CB-CD2 3.57Å; D70-R100 IonicContact OD2-NH2 3.59Å
71T92.1Very high94.7Very high110 Ų11080.8 Ų80.868%0.67540%0.398SS*.THydrogen-bonded Turntrans-77.4-30.3179.249.80000112.5
72T92.2Very high94.9Very high125 Ų12579.2 Ų79.277%0.76738%0.381SS*.THydrogen-bonded Turntrans-70.7-44.8-178.8-53.50000109.8D70D70-T72 WeakPolarHBondContact OD1-CA 3.22Å; D70-T72 VanDerWaalsContact OD1-CB 3.29Å; D70-T72 WeakPolarHBondContact OD1-CB 3.46Å; D70-T72 PolarHBondContact OD1-N 3.27Å
73Q90.7Very high95.1Very high91 Ų9185.2 Ų85.243%0.42540%0.399SS..THydrogen-bonded Turntrans-89.4-5.3179.9-57.1-176.915.500112.9D70 I75 L99D70-Q73 HydrophobicContact CB-CB 4.38Å; D70-Q73 PolarHBondContact OD1-N 2.84Å; Q73-I75 HydrophobicContact CB-CD1 3.7Å; Q73-I75 HydrophobicContact CB-CG1 3.98Å; Q73-I75 PolarHBondContact O-N 2.92Å; Q73-L99 PolarHBondContact NE2-O 3.43Å
74K93.7Very high95.1Very high190 Ų19082.9 Ų82.983%0.82640%0.398SS*.THydrogen-bonded Turntrans54.532.9-173.5-58.5178.6-179.7175.20113.6D70D70-K74 CarbonylContact O-C 3.46Å; D70-K74 WeakPolarHBondContact O-CA 3.49Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact O-N 3.07Å
75I93.5Very high95Very high64 Ų6481.3 Ų81.333%0.32839%0.394SS..EExtended strand (participates in β ladder)trans-99.3135.9-178.3-65.4167.9000110.2K69 D70 Q73 M77 L99K69-I75 WeakPolarHBondContact CA-O 3.4Å; D70-I75 PolarHBondContact N-O 3.5Å; D70-I75 PolarHBondContact O-N 3.42Å; D70-I75 VanDerWaalsContact O-N 3.08Å; Q73-I75 HydrophobicContact CB-CD1 3.7Å; Q73-I75 HydrophobicContact CB-CG1 3.98Å; Q73-I75 PolarHBondContact O-N 2.92Å; I75-M77 HydrophobicContact CG2-CB 4.41Å; I75-L99 HydrophobicContact CD1-CD1 4Å
76R96.1Very high95Very high204 Ų20485.6 Ų85.677%0.7741%0.414SS*.EExtended strand (participates in β ladder)trans-127.9119.4167.7-67.2177.468.2-173.8-0.9107.5I68 K69I68-R76 WeakPolarHBondContact O-CA 3.32Å; K69-R76 HydrophobicContact CG-CG 4.24Å
77M95.8Very high94.9Very high97 Ų9786.9 Ų86.948%0.47842%0.424SS..EExtended strand (participates in β ladder)trans-133.1129.2-178179.3172.178.500109.4E67 I68 I75 L79 A95E67-M77 WeakPolarHBondContact CA-O 3.37Å; I68-M77 HydrophobicContact CG2-CB 3.75Å; I68-M77 HydrophobicContact CG2-CE 3.85Å; I68-M77 HydrophobicContact CG2-CG 4.49Å; I68-M77 PolarHBondContact N-O 2.83Å; I68-M77 PolarHBondContact O-N 2.79Å; I75-M77 HydrophobicContact CG2-CB 4.41Å; M77-L79 HydrophobicContact CE-CD2 3.39Å; M77-L79 HydrophobicContact CG-CD2 4.36Å; M77-A95 HydrophobicContact CE-CB 4.37Å
78W95.5Very high94.9Very high171 Ų17183.3 Ų83.365%0.64841%0.407SS*.EExtended strand (participates in β ladder)trans-82.7123.5171.4175.636.9000108.3G80 T81W78-G80 VanDerWaalsContact NE1-C 3.27Å; W78-G80 PolarHBondContact NE1-O 3.1Å; W78-G80 VanDerWaalsContact NE1-O 3.08Å; W78-T81 HydrophobicContact CZ2-CG2 3.85Å
79L96.3Very high94.9Very high43 Ų4382.8 Ų82.823%0.22541%0.405CS..EExtended strand (participates in β ladder)trans-90.3-23.4-175.8-59.1175.6000112.3A66 I68 M77 Y92 A95A66-L79 HydrophobicContact CB-CB 4.06Å; A66-L79 HydrophobicContact CB-CD1 4.16Å; A66-L79 WeakPolarHBondContact O-CB 3.37Å; A66-L79 PolarHBondContact O-N 3.02Å; I68-L79 HydrophobicContact CB-CD1 4.31Å; I68-L79 HydrophobicContact CG2-CD2 4.01Å; I68-L79 HydrophobicContact CG2-CG 4.36Å; M77-L79 HydrophobicContact CE-CD2 3.39Å; M77-L79 HydrophobicContact CG-CD2 4.36Å; L79-Y92 HydrophobicContact CD1-CD2 4.2Å; L79-A95 HydrophobicContact CD1-CB 3.83Å; L79-A95 HydrophobicContact CD2-CB 3.54Å; L79-A95 HydrophobicContact CG-CB 4.35Å
80G97Very high94.9Very high17 Ų1780.2 Ų80.218%0.17539%0.394CS..EExtended strand (participates in β ladder)trans139.9-176.6178.500000113.7A66 W78A66-G80 PolarHBondContact N-O 2.92Å; A66-G80 VanDerWaalsContact N-O 3.12Å; A66-G80 PolarHBondContact O-N 3.36Å; W78-G80 VanDerWaalsContact NE1-C 3.27Å; W78-G80 PolarHBondContact NE1-O 3.1Å; W78-G80 VanDerWaalsContact NE1-O 3.08Å
81T97.2Very high95.1Very high61 Ų6180.7 Ų80.737%0.37440%0.399SS..EExtended strand (participates in β ladder)trans-117.5131.4171.557.50000109.7W64 V65 W78W64-T81 CarbonylContact O-C 3.34Å; W64-T81 VanDerWaalsContact O-CA 3.28Å; W64-T81 WeakPolarHBondContact O-CA 3.44Å; V65-T81 HydrophobicContact CG1-CG2 4.4Å; V65-T81 HydrophobicContact CG2-CG2 3.88Å; W78-T81 HydrophobicContact CZ2-CG2 3.85Å
82F97.2Very high95.4Very high54 Ų5476.9 Ų76.924%0.23737%0.373CS..EExtended strand (participates in β ladder)trans-122.3156.3-175.4-55.3-90.3000110.3W64 A66 A87 A88 A91W64-F82 WeakPolarHBondContact CB-O 3.4Å; W64-F82 PolarHBondContact N-O 3.33Å; W64-F82 PolarHBondContact O-N 3Å; A66-F82 HydrophobicContact CB-CD2 4.2Å; A66-F82 HydrophobicContact CB-CE2 3.82Å; F82-A87 HydrophobicContact CB-CB 4.16Å; F82-A87 HydrophobicContact CD1-CB 4.01Å; F82-A87 HydrophobicContact CG-CB 4.32Å; F82-A88 HydrophobicContact CB-CB 4Å; F82-A88 HydrophobicContact CD2-CB 3.59Å; F82-A88 HydrophobicContact CE2-CB 4.43Å; F82-A88 HydrophobicContact CG-CB 4.02Å; F82-A91 HydrophobicContact CE1-CB 4.06Å; F82-A91 HydrophobicContact CE2-CB 3.87Å; F82-A91 HydrophobicContact CZ-CB 3.39Å
83E95.6Very high95.5Very high160 Ų16071.1 Ų71.175%0.74834%0.337SS*.SBendtrans-80.9-28.2177.5-63.9179174.900112.2W64W64-E83 PolarHBondContact NE1-O 3.43Å
84T95.8Very high95.7Very high67 Ų6772 Ų7241%0.41134%0.341SS..SBendtrans-114.1148.1179.462.10000111.6W64 E86 A87 A88W64-T84 VanDerWaalsContact CD1-C 3.48Å; T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 PolarHBondContact O-N 3.1Å; T84-A87 PolarHBondContact O-N 3.47Å; T84-A87 WeakPolarHBondContact OG1-CB 3.47Å; T84-A87 PolarHBondContact OG1-N 3.16Å; T84-A87 VanDerWaalsContact OG1-N 3.15Å; T84-A88 PolarHBondContact O-N 3.46Å
85A94.9Very high95.8Very high8 Ų863.4 Ų63.47%0.06631%0.306CS..Hα-helixtrans-65.7-35.2175.600000110.9F53 W64 A89F53-A85 HydrophobicContact CD2-CB 3.84Å; F53-A85 HydrophobicContact CE2-CB 3.78Å; W64-A85 HydrophobicContact CD2-CB 3.66Å; W64-A85 HydrophobicContact CE3-CB 3.77Å; W64-A85 HydrophobicContact CG-CB 4.32Å; W64-A85 HydrophobicContact CH2-CB 3.88Å; W64-A85 HydrophobicContact CZ2-CB 3.8Å; W64-A85 HydrophobicContact CZ3-CB 3.86Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å
86E94.9Very high95.8Very high95 Ų9560.7 Ų60.744%0.44429%0.293SS..Hα-helixtrans-71.7-34.8-179-63.173-162.200112.3F53 T84 K90 F108F53-E86 HydrophobicContact CE2-CG 4.25Å; F53-E86 HydrophobicContact CZ-CG 4.08Å; T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 VanDerWaalsContact O-N 3.14Å; E86-K90 PolarHBondContact O-NZ 3.48Å; E86-F108 HydrophobicContact CB-CZ 4.37Å
87A95.7Very high95.7Very high27 Ų2756.6 Ų56.622%0.22328%0.277CS..Hα-helixtrans-69-46.417300000110.8F82 T84 A89 K90 A91F82-A87 HydrophobicContact CB-CB 4.16Å; F82-A87 HydrophobicContact CD1-CB 4.01Å; F82-A87 HydrophobicContact CG-CB 4.32Å; T84-A87 PolarHBondContact O-N 3.47Å; T84-A87 WeakPolarHBondContact OG1-CB 3.47Å; T84-A87 PolarHBondContact OG1-N 3.16Å; T84-A87 VanDerWaalsContact OG1-N 3.15Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.22Å; A87-K90 PolarHBondContact O-N 3.48Å; A87-K90 VanDerWaalsContact O-N 3.1Å; A87-A91 PolarHBondContact O-N 3.23Å
88A96.4Very high95.6Very high0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-55.9-43.6174.800000112.3V56 W64 A66 F82 T84 K90 A91 Y92V56-A88 HydrophobicContact CB-CB 4.39Å; V56-A88 HydrophobicContact CG1-CB 3.74Å; V56-A88 HydrophobicContact CG2-CB 3.74Å; W64-A88 HydrophobicContact CB-CB 4.05Å; A66-A88 HydrophobicContact CB-CB 4.1Å; A66-A88 WeakPolarHBondContact CB-O 3.34Å; F82-A88 HydrophobicContact CB-CB 4Å; F82-A88 HydrophobicContact CD2-CB 3.59Å; F82-A88 HydrophobicContact CE2-CB 4.43Å; F82-A88 HydrophobicContact CG-CB 4.02Å; T84-A88 PolarHBondContact O-N 3.46Å; A88-K90 VanDerWaalsContact C-N 3.35Å; A88-K90 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 3.47Å; A88-Y92 PolarHBondContact O-N 2.8Å; A88-Y92 VanDerWaalsContact O-N 3.07Å
89A95.8Very high95.4Very high0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-66.5-35.1178.600000112.7F53 V56 A85 A87 Y92 D93 N107 F108F53-A89 HydrophobicContact CB-CB 3.58Å; F53-A89 HydrophobicContact CD1-CB 3.78Å; F53-A89 HydrophobicContact CD2-CB 4.01Å; F53-A89 HydrophobicContact CE1-CB 4.46Å; F53-A89 HydrophobicContact CG-CB 3.52Å; V56-A89 HydrophobicContact CG2-CB 3.99Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.22Å; A89-Y92 PolarHBondContact O-N 3.17Å; A89-D93 VanDerWaalsContact O-CG 3.23Å; A89-D93 PolarHBondContact O-N 3.05Å; A89-N107 HydrophobicContact CB-CB 4.32Å; A89-F108 HydrophobicContact CB-CE2 3.5Å; A89-F108 HydrophobicContact CB-CZ 3.82Å
90K95.4Very high95.2Very high90 Ų9058.1 Ų58.139%0.39129%0.288SS..Hα-helixtrans-68.4-45.4177.1-80.4-170.6-61.4-67.60111.1E86 A87 A88 Y92 D93 E94 F108E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 VanDerWaalsContact O-N 3.14Å; E86-K90 PolarHBondContact O-NZ 3.48Å; A87-K90 PolarHBondContact O-N 3.48Å; A87-K90 VanDerWaalsContact O-N 3.1Å; A88-K90 VanDerWaalsContact C-N 3.35Å; A88-K90 PolarHBondContact O-N 2.87Å; K90-Y92 VanDerWaalsContact C-N 3.25Å; K90-Y92 PolarHBondContact O-N 3.32Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.43Å; K90-E94 PolarHBondContact O-N 2.97Å; K90-F108 HydrophobicContact CB-CE2 4.26Å; K90-F108 HydrophobicContact CG-CD2 3.65Å; K90-F108 HydrophobicContact CG-CE2 3.45Å; K90-F108 VanDerWaalsContact CG-CE2 3.45Å; K90-F108 HydrophobicContact CG-CZ 4.31Å
91A96.2Very high94.9Very high20 Ų2058.7 Ų58.717%0.16530%0.295CS..Hα-helixtrans-58.2-40.5175.100000111.4F82 A87 A88 A95F82-A91 HydrophobicContact CE1-CB 4.06Å; F82-A91 HydrophobicContact CE2-CB 3.87Å; F82-A91 HydrophobicContact CZ-CB 3.39Å; A87-A91 PolarHBondContact O-N 3.23Å; A88-A91 PolarHBondContact O-N 3.47Å; A91-A95 WeakPolarHBondContact O-CB 3.22Å; A91-A95 PolarHBondContact O-N 3.49Å
92Y96.6Very high94.5Very high31 Ų3161 Ų6112%0.12231%0.313CS..Hα-helixtrans-61.5-43.7173-178-88.1000112.8V54 E67 I68 L79 A88 A89 K90 A95 A96V54-Y92 HydrophobicContact CB-CE1 4.36Å; V54-Y92 HydrophobicContact CG1-CE1 3.91Å; E67-Y92 WeakPolarHBondContact O-CD2 3.31Å; E67-Y92 WeakPolarHBondContact O-CE2 3.38Å; I68-Y92 HydrophobicContact CB-CD2 4.41Å; I68-Y92 HydrophobicContact CB-CE2 4.16Å; I68-Y92 HydrophobicContact CG1-CE2 4.12Å; L79-Y92 HydrophobicContact CD1-CD2 4.2Å; A88-Y92 PolarHBondContact O-N 2.8Å; A88-Y92 VanDerWaalsContact O-N 3.07Å; A89-Y92 PolarHBondContact O-N 3.17Å; K90-Y92 VanDerWaalsContact C-N 3.25Å; K90-Y92 PolarHBondContact O-N 3.32Å; Y92-A95 PolarHBondContact O-N 2.91Å; Y92-A96 HydrophobicContact CE1-CB 4.21Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3Å
93D95.3Very high94Very high4 Ų465.3 Ų65.32%0.02134%0.338CS..Hα-helixtrans-66.5-37.6-179.1-72-5000113A89 K90 R97 T106 N107 F108A89-D93 VanDerWaalsContact O-CG 3.23Å; A89-D93 PolarHBondContact O-N 3.05Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.43Å; D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 3.33Å; D93-T106 HydrophobicContact CB-CG2 3.84Å; D93-T106 VanDerWaalsContact CG-CB 3.42Å; D93-T106 VanDerWaalsContact OD1-CA 3.31Å; D93-T106 WeakPolarHBondContact OD1-CA 3.38Å; D93-T106 WeakPolarHBondContact OD1-CB 3.16Å; D93-N107 WeakPolarHBondContact OD1-CB 3.26Å; D93-N107 PolarHBondContact OD1-N 2.72Å; D93-N107 PolarHBondContact OD1-ND2 2.91Å; D93-N107 WeakPolarHBondContact OD2-CB 3.38Å; D93-N107 PolarHBondContact OD2-N 3.45Å; D93-F108 WeakPolarHBondContact OD2-CD2 3.48Å; D93-F108 PolarHBondContact OD2-N 3.19Å
94E94.9Very high93.7Very high108 Ų10858.2 Ų58.251%0.50531%0.307SS..Hα-helixtrans-62.4-51.4172.9-72171.5-17600111.2K90 A96 R97 L98K90-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-R97 PolarHBondContact O-N 3.03Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.77Å
95A95.4Very high93.4Very high11 Ų1162.1 Ų62.19%0.09132%0.315CS..Hα-helixtrans-59.9-41.3176.300000112.3I68 M77 L79 A91 Y92 R97 L98 L99I68-A95 HydrophobicContact CD1-CB 4.03Å; M77-A95 HydrophobicContact CE-CB 4.37Å; L79-A95 HydrophobicContact CD1-CB 3.83Å; L79-A95 HydrophobicContact CD2-CB 3.54Å; L79-A95 HydrophobicContact CG-CB 4.35Å; A91-A95 WeakPolarHBondContact O-CB 3.22Å; A91-A95 PolarHBondContact O-N 3.49Å; Y92-A95 PolarHBondContact O-N 2.91Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.39Å; A95-L98 PolarHBondContact O-N 2.95Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.75Å
96A94.3Very high93.3Very high7 Ų763.8 Ų63.86%0.05832%0.324CS..Hα-helixtrans-63.7-39.617900000111.9I68 Y92 E94 L99 R100 A104I68-A96 HydrophobicContact CD1-CB 4.28Å; Y92-A96 HydrophobicContact CE1-CB 4.21Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.23Å; A96-L99 PolarHBondContact O-N 3.3Å; A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 2.97Å; A96-A104 VanDerWaalsContact C-CB 3.47Å; A96-A104 HydrophobicContact CB-CB 4.09Å; A96-A104 WeakPolarHBondContact O-CB 3.09Å
97R93.3Very high93.2Very high118 Ų11861.2 Ų61.245%0.44531%0.314SS..Hα-helixtrans-67.3-39176.8-166.2-174.1-46.399.110.9112.1D93 E94 A95 G101D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 3.33Å; E94-R97 PolarHBondContact O-N 3.03Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.39Å; R97-G101 WeakPolarHBondContact CA-O 3.16Å; R97-G101 CarbonylContact O-C 3.54Å; R97-G101 WeakPolarHBondContact O-CA 3.26Å; R97-G101 PolarHBondContact O-N 3.22Å
98L93.3Very high92.9Very high155 Ų15563.4 Ų63.481%0.81232%0.318SS*.Hα-helixtrans-66.7-39.3175.8-67172.2000111.6E94 A95E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.77Å; A95-L98 PolarHBondContact O-N 2.95Å
99L92.7Very high92.1Very high40 Ų4067.2 Ų67.221%0.20935%0.35CS..Hα-helixtrans-81.1-37.2-174.6-16168.4000114I68 D70 Q73 I75 A95 A96I68-L99 HydrophobicContact CD1-CB 4.32Å; I68-L99 HydrophobicContact CD1-CD2 3.83Å; I68-L99 HydrophobicContact CG1-CD2 4.25Å; D70-L99 HydrophobicContact CB-CD2 3.57Å; Q73-L99 PolarHBondContact NE2-O 3.43Å; I75-L99 HydrophobicContact CD1-CD1 4Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.75Å; A96-L99 PolarHBondContact O-N 3.3Å
100R92.4Very high90.9Very high147 Ų14772.1 Ų72.156%0.55538%0.382SS*.Hα-helixtrans-110.5-12.5-174.7-169.6173.5-61.3-178.91.1113.8D70 A96 A104D70-R100 IonicContact OD2-NH2 3.59Å; A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 2.97Å; R100-A104 HydrophobicContact CB-CB 4Å
101G90.3Very high89.4Confident30 Ų3079.4 Ų79.431%0.30941%0.407SS..  trans93.5-166.6-176.500000113.8R97 D103 A104R97-G101 WeakPolarHBondContact CA-O 3.16Å; R97-G101 CarbonylContact O-C 3.54Å; R97-G101 WeakPolarHBondContact O-CA 3.26Å; R97-G101 PolarHBondContact O-N 3.22Å; G101-D103 PolarHBondContact O-N 3.47Å; G101-D103 VanDerWaalsContact O-N 3.15Å; G101-A104 WeakPolarHBondContact O-CB 3.43Å; G101-A104 PolarHBondContact O-N 3.29Å
102S87.7Confident87.8Confident108 Ų10884.3 Ų84.376%0.75543%0.429SS*.THydrogen-bonded Turntrans-58.3-26.8-178.753.60000114A104S102-A104 VanDerWaalsContact C-N 3.25Å; S102-A104 PolarHBondContact O-N 2.86Å
103D86.5Confident86Confident145 Ų14585.7 Ų85.778%0.77544%0.443SS*.THydrogen-bonded Turntrans-92.915.3-173.7-57.2-13.1000112.1G101G101-D103 PolarHBondContact O-N 3.47Å; G101-D103 VanDerWaalsContact O-N 3.15Å
104A90.2Very high84.5Confident12 Ų1289 Ų8910%0.09946%0.464CS..  trans-61.4141.9177.700000112.1A96 R100 G101 S102 T106A96-A104 VanDerWaalsContact C-CB 3.47Å; A96-A104 HydrophobicContact CB-CB 4.09Å; A96-A104 WeakPolarHBondContact O-CB 3.09Å; R100-A104 HydrophobicContact CB-CB 4Å; G101-A104 WeakPolarHBondContact O-CB 3.43Å; G101-A104 PolarHBondContact O-N 3.29Å; S102-A104 VanDerWaalsContact C-N 3.25Å; S102-A104 PolarHBondContact O-N 2.86Å; A104-T106 HydrophobicContact CB-CG2 4.37Å; A104-T106 PolarHBondContact O-N 2.91Å
105R89.9Confident83.2Confident148 Ų14889.6 Ų89.656%0.55847%0.471SS*.  trans-76.796.3173.8-169.4-17979.9168.55.2109.7
106T92.5Very high82.4Confident44 Ų4491 Ų9127%0.2748%0.48SS..  trans-96.4163.1178.560.50000112.4D93 A104 F108D93-T106 HydrophobicContact CB-CG2 3.84Å; D93-T106 VanDerWaalsContact CG-CB 3.42Å; D93-T106 VanDerWaalsContact OD1-CA 3.31Å; D93-T106 WeakPolarHBondContact OD1-CA 3.38Å; D93-T106 WeakPolarHBondContact OD1-CB 3.16Å; A104-T106 HydrophobicContact CB-CG2 4.37Å; A104-T106 PolarHBondContact O-N 2.91Å; T106-F108 PolarHBondContact OG1-O 3.21Å
107N92.4Very high81.8Confident41 Ų4195.3 Ų95.322%0.21951%0.507CS..SBendtrans-80.7-39.8174.6-66.7-60.5000111.9F53 V54 A89 D93F53-N107 HydrophobicContact CD1-CB 4.12Å; V54-N107 VanDerWaalsContact CB-OD1 3.29Å; V54-N107 WeakPolarHBondContact CB-OD1 3.39Å; V54-N107 PolarHBondContact N-OD1 3.2Å; V54-N107 PolarHBondContact O-ND2 2.91Å; A89-N107 HydrophobicContact CB-CB 4.32Å; D93-N107 WeakPolarHBondContact OD1-CB 3.26Å; D93-N107 PolarHBondContact OD1-N 2.72Å; D93-N107 PolarHBondContact OD1-ND2 2.91Å; D93-N107 WeakPolarHBondContact OD2-CB 3.38Å; D93-N107 PolarHBondContact OD2-N 3.45Å
108F89.7Confident81.4Confident72 Ų7294.1 Ų94.132%0.31651%0.51SS..SBendtrans-101.6126.8177.4-55.4-69.7000109.2F53 E86 A89 K90 D93 T106F53-F108 HydrophobicContact CD1-CZ 4.32Å; F53-F108 AromaticContact CE1-CE1 3.94Å; F53-F108 HydrophobicContact CE1-CE1 3.94Å; F53-F108 AromaticContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CZ-CE1 4.49Å; F53-F108 HydrophobicContact CZ-CZ 4.3Å; E86-F108 HydrophobicContact CB-CZ 4.37Å; A89-F108 HydrophobicContact CB-CE2 3.5Å; A89-F108 HydrophobicContact CB-CZ 3.82Å; K90-F108 HydrophobicContact CB-CE2 4.26Å; K90-F108 HydrophobicContact CG-CD2 3.65Å; K90-F108 HydrophobicContact CG-CE2 3.45Å; K90-F108 VanDerWaalsContact CG-CE2 3.45Å; K90-F108 HydrophobicContact CG-CZ 4.31Å; D93-F108 WeakPolarHBondContact OD2-CD2 3.48Å; D93-F108 PolarHBondContact OD2-N 3.19Å; T106-F108 PolarHBondContact OG1-O 3.21Å
109A79.8Confident80.9Confident81 Ų8187.4 Ų87.467%0.66948%0.476SS*.PPolyproline II helixtrans-64.7143.7166.800000108.6R111A109-R111 PolarHBondContact O-N 2.95Å
110P70.5Confident80.7Confident103 Ų10389 Ų8967%0.66949%0.487SS*.PPolyproline II helixtrans-48136169.6-23.732.3000109I112P110-I112 PolarHBondContact O-N 2.83Å
111R62.7Low80.6Confident242 Ų24289.5 Ų89.591%0.91349%0.489SS*.SBendtrans-67.541.5-173.8-61.6-98.6-154.6-160.64.7113.2A109 S113A109-R111 PolarHBondContact O-N 2.95Å; R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.13Å
112I63.1Low80.6Confident123 Ų12392.1 Ų92.163%0.63150%0.495SS*.  trans-74.494.7163.2-53.4173.3000104.5P110 A119P110-I112 PolarHBondContact O-N 2.83Å; I112-A119 HydrophobicContact CG2-CB 4.03Å
113S58.6Low80.6Confident61 Ų6192.8 Ų92.843%0.42748%0.481SS..  trans-52.1134.8171.654.70000107.9R111 D115 C116R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.13Å; S113-D115 PolarHBondContact O-N 3.5Å; S113-C116 VanDerWaalsContact O-CB 3.27Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.69Å; S113-C116 WeakPolarHBondContact OG-CB 3.14Å; S113-C116 PolarHBondContact OG-N 2.82Å
114P65.2Low80.9Confident72 Ų7287.7 Ų87.747%0.46846%0.463SS..THydrogen-bonded Turntrans-59.3-22.6179.227-33.5000110.4R123P114-R123 VanDerWaalsContact O-CZ 3.27Å; P114-R123 PolarHBondContact O-NH1 3.03Å; P114-R123 PolarHBondContact O-NH2 3.44Å
115D66.6Low81.1Confident121 Ų12193.1 Ų93.165%0.64749%0.49SS*.THydrogen-bonded Turntrans-953-178.5-46.8-48.1000113S113S113-D115 PolarHBondContact O-N 3.5Å
116C78Confident81.2Confident41 Ų4191.3 Ų91.328%0.27749%0.49SS..SBendtrans-55.5130.1168.5-178.20000107.9S113 L118 A119 V120S113-C116 VanDerWaalsContact O-CB 3.27Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.69Å; S113-C116 WeakPolarHBondContact OG-CB 3.14Å; S113-C116 PolarHBondContact OG-N 2.82Å; C116-L118 CarbonylContact O-C 3.58Å; C116-L118 PolarHBondContact O-N 3.3Å; C116-A119 HydrophobicContact CB-CB 4.2Å; C116-A119 WeakPolarHBondContact O-CA 3.47Å; C116-A119 WeakPolarHBondContact O-CB 3.04Å; C116-A119 PolarHBondContact O-N 2.86Å; C116-V120 PolarHBondContact O-N 2.95Å; C116-V120 VanDerWaalsContact O-N 3.09Å
117P81.7Confident81.1Confident97 Ų9794.7 Ų94.763%0.6350%0.503SS*.Hα-helixtrans-51.6-28.3179.6-29.134.3000113.1R121P117-R121 WeakPolarHBondContact O-CB 3.48Å; P117-R121 VanDerWaalsContact O-CG 3.22Å; P117-R121 WeakPolarHBondContact O-CG 2.92Å; P117-R121 PolarHBondContact O-N 2.66Å; P117-R121 PolarHBondContact O-NE 2.89Å
118L84.9Confident81.1Confident94 Ų9498.3 Ų98.349%0.49252%0.518SS..Hα-helixtrans-70.3-45.2173.6-171.664.2000112.7C116 V120 R121 I122C116-L118 CarbonylContact O-C 3.58Å; C116-L118 PolarHBondContact O-N 3.3Å; L118-V120 PolarHBondContact O-N 2.63Å; L118-R121 PolarHBondContact O-N 2.78Å; L118-I122 HydrophobicContact CD1-CD1 4.35Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.49Å
119A84.5Confident81.3Confident13 Ų13102.3 Ų102.311%0.10754%0.535CS..Hα-helixtrans-64-41.4179.500000112I112 C116 I122 R123I112-A119 HydrophobicContact CG2-CB 4.03Å; C116-A119 HydrophobicContact CB-CB 4.2Å; C116-A119 WeakPolarHBondContact O-CA 3.47Å; C116-A119 WeakPolarHBondContact O-CB 3.04Å; C116-A119 PolarHBondContact O-N 2.86Å; A119-I122 PolarHBondContact O-N 3.24Å; A119-R123 PolarHBondContact O-N 2.89Å
120V87.6Confident81.9Confident73 Ų73106 Ų10644%0.44254%0.536SS..Hα-helixtrans-62-46.4175.9179.10000110.8C116 L118 I122 R123 G124C116-V120 PolarHBondContact O-N 2.95Å; C116-V120 VanDerWaalsContact O-N 3.09Å; L118-V120 PolarHBondContact O-N 2.63Å; V120-I122 PolarHBondContact O-N 3.28Å; V120-R123 PolarHBondContact O-N 2.76Å; V120-G124 PolarHBondContact O-N 2.92Å
121R90.5Very high82.8Confident158 Ų158105.2 Ų105.260%0.59653%0.525SS*.Hα-helixtrans-59-46.5176.1-76.3-175.4-65.1160.3-3.3112P117 L118 R123 G124 L125P117-R121 WeakPolarHBondContact O-CB 3.48Å; P117-R121 VanDerWaalsContact O-CG 3.22Å; P117-R121 WeakPolarHBondContact O-CG 2.92Å; P117-R121 PolarHBondContact O-N 2.66Å; P117-R121 PolarHBondContact O-NE 2.89Å; L118-R121 PolarHBondContact O-N 2.78Å; R121-R123 PolarHBondContact O-N 2.91Å; R121-G124 PolarHBondContact O-N 2.81Å; R121-L125 WeakPolarHBondContact O-CG 3.42Å; R121-L125 PolarHBondContact O-N 3.29Å
122I90.3Very high84.1Confident86 Ų86100.8 Ų100.844%0.44151%0.513SS..Hα-helixtrans-61.6-44.6178.5-67.9166.3000110.9L118 A119 V120 G124 L125 L126L118-I122 HydrophobicContact CD1-CD1 4.35Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.49Å; A119-I122 PolarHBondContact O-N 3.24Å; V120-I122 PolarHBondContact O-N 3.28Å; I122-G124 PolarHBondContact O-N 3.08Å; I122-L125 PolarHBondContact O-N 3.01Å; I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 HydrophobicContact CG2-CG 4.44Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.08Å
123R88.2Confident85.4Confident122 Ų122102.9 Ų102.946%0.4652%0.517SS..Hα-helixtrans-60.8-42.8175.7-76.5-160.1-64-91.82.2112.2P114 A119 V120 R121 L126 H127P114-R123 VanDerWaalsContact O-CZ 3.27Å; P114-R123 PolarHBondContact O-NH1 3.03Å; P114-R123 PolarHBondContact O-NH2 3.44Å; A119-R123 PolarHBondContact O-N 2.89Å; V120-R123 PolarHBondContact O-N 2.76Å; R121-R123 PolarHBondContact O-N 2.91Å; R123-L126 PolarHBondContact O-N 3.07Å; R123-H127 WeakPolarHBondContact O-CB 3.38Å; R123-H127 PolarHBondContact O-N 2.94Å
124G92.2Very high86.8Confident37 Ų37102.5 Ų102.538%0.38152%0.518SS..Hα-helixtrans-59.2-45.8176.300000112.8V120 R121 I122 H127 H128V120-G124 PolarHBondContact O-N 2.92Å; R121-G124 PolarHBondContact O-N 2.81Å; I122-G124 PolarHBondContact O-N 3.08Å; G124-H127 PolarHBondContact O-N 2.99Å; G124-H128 PolarHBondContact O-N 2.88Å
125L93.8Very high87.8Confident127 Ų127106.9 Ų106.967%0.66553%0.53SS*.Hα-helixtrans-63.6-42.8177.4-69173.3000112.4R121 I122 H128 K129R121-L125 WeakPolarHBondContact O-CG 3.42Å; R121-L125 PolarHBondContact O-N 3.29Å; I122-L125 PolarHBondContact O-N 3.01Å; L125-H128 PolarHBondContact O-N 3.5Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 2.98Å
126L92.3Very high88.6Confident109 Ų109104.1 Ų104.157%0.57152%0.523SS*.Hα-helixtrans-64.3-41.3177.2-72170.2000111.9I122 R123 K129 K130I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 HydrophobicContact CG2-CG 4.44Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.08Å; R123-L126 PolarHBondContact O-N 3.07Å; L126-K129 PolarHBondContact O-N 3.31Å; L126-K130 WeakPolarHBondContact O-CB 3.32Å; L126-K130 PolarHBondContact O-N 3.12Å
127H91.5Very high88.9Confident115 Ų115105.5 Ų105.553%0.53253%0.533SS..Hα-helixtrans-64.4-44.7176.4-166.7-107.6000111.6R123 G124 K129 K130 I131R123-H127 WeakPolarHBondContact O-CB 3.38Å; R123-H127 PolarHBondContact O-N 2.94Å; G124-H127 PolarHBondContact O-N 2.99Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 2.97Å; H127-K130 WeakPolarHBondContact O-CB 3.47Å; H127-K130 PolarHBondContact O-N 3.02Å; H127-I131 VanDerWaalsContact CE1-CD1 3.42Å; H127-I131 WeakPolarHBondContact CE1-CD1 3.45Å; H127-I131 VanDerWaalsContact ND1-CD1 3.34Å; H127-I131 WeakPolarHBondContact ND1-CD1 3.4Å; H127-I131 WeakPolarHBondContact O-CG1 3.33Å; H127-I131 PolarHBondContact O-N 3.32Å
128H91.9Very high89Confident117 Ų117103.7 Ų103.754%0.54253%0.527SS..Hα-helixtrans-59.3-41.7174.7-108.380.2000112.6G124 L125 I131 K132G124-H128 PolarHBondContact O-N 2.88Å; L125-H128 PolarHBondContact O-N 3.5Å; H128-I131 PolarHBondContact O-N 2.94Å; H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 WeakPolarHBondContact O-CG 3.42Å; H128-K132 PolarHBondContact O-N 3.49Å
129K92.4Very high88.8Confident157 Ų157102.2 Ų102.268%0.68353%0.528SS*.Hα-helixtrans-66-38.6176.4-172.4171.8171.1175.40111.8L125 L126 H127 K133L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.31Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 2.97Å; K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 3.24Å
130K92.9Very high88.5Confident159 Ų159104.3 Ų104.369%0.69155%0.545SS*.Hα-helixtrans-63.7-45.5174.4-170.9178.3178.9-177.20111.5L126 H127 K133 A134L126-K130 WeakPolarHBondContact O-CB 3.32Å; L126-K130 PolarHBondContact O-N 3.12Å; H127-K130 WeakPolarHBondContact O-CB 3.47Å; H127-K130 PolarHBondContact O-N 3.02Å; K130-K133 PolarHBondContact O-N 3.38Å; K130-A134 WeakPolarHBondContact O-CB 3.44Å; K130-A134 PolarHBondContact O-N 3.46Å
131I90.3Very high88Confident85 Ų85103.4 Ų103.444%0.43655%0.546SS..Hα-helixtrans-61.6-47.9176.5-65.9163.7000110.8H127 H128 K133 A134 K135H127-I131 VanDerWaalsContact CE1-CD1 3.42Å; H127-I131 WeakPolarHBondContact CE1-CD1 3.45Å; H127-I131 VanDerWaalsContact ND1-CD1 3.34Å; H127-I131 WeakPolarHBondContact ND1-CD1 3.4Å; H127-I131 WeakPolarHBondContact O-CG1 3.33Å; H127-I131 PolarHBondContact O-N 3.32Å; H128-I131 PolarHBondContact O-N 2.94Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.5Å; I131-A134 PolarHBondContact O-N 3.49Å; I131-K135 WeakPolarHBondContact O-CB 3.38Å; I131-K135 PolarHBondContact O-N 3.15Å
132K90.4Very high87.4Confident150 Ų15098.3 Ų98.365%0.65254%0.537SS*.Hα-helixtrans-59.7-42.7178.4-74.8-177.7178-174.60112.2H128 K135 A136H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 WeakPolarHBondContact O-CG 3.42Å; H128-K132 PolarHBondContact O-N 3.49Å; K132-K135 PolarHBondContact O-N 3.48Å; K132-A136 PolarHBondContact O-N 3.02Å
133K88.8Confident86.7Confident166 Ų16697.2 Ų97.272%0.72254%0.541SS*.Hα-helixtrans-65.2-43.6176.6-171.6175.5-178.5178.40111.9K129 K130 I131 K135 A136 S137K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 3.24Å; K130-K133 PolarHBondContact O-N 3.38Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.5Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.25Å; K133-A136 PolarHBondContact O-N 2.74Å; K133-S137 PolarHBondContact O-N 3.31Å; K133-S137 PolarHBondContact O-OG 3.37Å; K133-S137 VanDerWaalsContact O-OG 3.13Å
134A88.5Confident85.8Confident53 Ų5399.5 Ų99.544%0.43855%0.554SS.*Hα-helixtrans-61.8-41.3177.100000111.9K130 I131 S137 A138K130-A134 WeakPolarHBondContact O-CB 3.44Å; K130-A134 PolarHBondContact O-N 3.46Å; I131-A134 PolarHBondContact O-N 3.49Å; A134-S137 WeakPolarHBondContact CA-OG 3.29Å; A134-S137 PolarHBondContact O-N 3.45Å; A134-S137 PolarHBondContact O-OG 3.39Å; A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.37Å; A134-A138 PolarHBondContact O-N 3.35Å
135K85.9Confident84.4Confident165 Ų165105.3 Ų105.372%0.71757%0.571SS**Hα-helixtrans-64.5-42.7175.8-171.1173.5-179.1174.30112I131 K132 K133 A138 A139I131-K135 WeakPolarHBondContact O-CB 3.38Å; I131-K135 PolarHBondContact O-N 3.15Å; K132-K135 PolarHBondContact O-N 3.48Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.25Å; K135-A138 PolarHBondContact O-N 3.44Å; K135-A139 WeakPolarHBondContact O-CB 3.26Å; K135-A139 PolarHBondContact O-N 3.07Å
136A84.6Confident82.9Confident62 Ų62106.9 Ų106.951%0.51258%0.575SS.*Hα-helixtrans-65.1-42.4176.200000112.3K132 K133 A139 A140K132-A136 PolarHBondContact O-N 3.02Å; K133-A136 PolarHBondContact O-N 2.74Å; A136-A139 PolarHBondContact O-N 2.95Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.07Å
137S84.5Confident81.3Confident70 Ų70105.9 Ų105.949%0.4958%0.583SS.*Hα-helixtrans-66.9-35.6175.854.90000112.6K133 A134 A140 A141K133-S137 PolarHBondContact O-N 3.31Å; K133-S137 PolarHBondContact O-OG 3.37Å; K133-S137 VanDerWaalsContact O-OG 3.13Å; A134-S137 WeakPolarHBondContact CA-OG 3.29Å; A134-S137 PolarHBondContact O-N 3.45Å; A134-S137 PolarHBondContact O-OG 3.39Å; S137-A140 PolarHBondContact O-N 2.82Å; S137-A141 WeakPolarHBondContact O-CB 3.29Å; S137-A141 PolarHBondContact O-N 3.03Å
138A82.9Confident79.5Confident59 Ų59105 Ų10549%0.48859%0.59SS.*Hα-helixtrans-66.2-42.4174.700000111.6A134 K135 A141 A142A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.37Å; A134-A138 PolarHBondContact O-N 3.35Å; K135-A138 PolarHBondContact O-N 3.44Å; A138-A141 PolarHBondContact O-N 2.74Å; A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 2.98Å
139A81.1Confident77.9Confident63 Ų63103.6 Ų103.652%0.52159%0.593SS.*Hα-helixtrans-63-41174.600000112.3K135 A136 A142 A143K135-A139 WeakPolarHBondContact O-CB 3.26Å; K135-A139 PolarHBondContact O-N 3.07Å; A136-A139 PolarHBondContact O-N 2.95Å; A139-A142 PolarHBondContact O-N 3.06Å; A139-A143 PolarHBondContact O-N 3.03Å
140A78.9Confident76.4Confident57 Ų57101.5 Ų101.547%0.47160%0.595SS.*Hα-helixtrans-67.1-36.117600000112.8A136 S137 K144A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.07Å; S137-A140 PolarHBondContact O-N 2.82Å; A140-K144 PolarHBondContact O-N 3.04Å
141A77.1Confident74.5Confident55 Ų5599.9 Ų99.946%0.45560%0.602SS.*Hα-helixtrans-67.8-40.3174.500000111.8S137 A138 K144 Q145S137-A141 WeakPolarHBondContact O-CB 3.29Å; S137-A141 PolarHBondContact O-N 3.03Å; A138-A141 PolarHBondContact O-N 2.74Å; A141-K144 PolarHBondContact O-N 3.14Å; A141-Q145 PolarHBondContact O-N 3.02Å
142A76.8Confident72.8Confident50 Ų50100.2 Ų100.241%0.41362%0.617SS.*Hα-helixtrans-63.7-42.5176.100000112.2A138 A139 K144 Q145 Q146A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 2.98Å; A139-A142 PolarHBondContact O-N 3.06Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.1Å; A142-Q145 PolarHBondContact O-N 2.98Å; A142-Q145 VanDerWaalsContact O-N 3.16Å; A142-Q146 PolarHBondContact O-N 2.88Å
143A76.3Confident71.2Confident63 Ų6398.9 Ų98.952%0.52162%0.624SS.*Hα-helixtrans-62.8-30.5177.600000113.2A139A139-A143 PolarHBondContact O-N 3.03Å
144K68.4Low69.3Low170 Ų17096.5 Ų96.574%0.73963%0.627SS**Hα-helixtrans-73.8-27.5176.3-76-172.7177.5-170.80113.6A140 A141 A142 Q146A140-K144 PolarHBondContact O-N 3.04Å; A141-K144 PolarHBondContact O-N 3.14Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.1Å; K144-Q146 VanDerWaalsContact C-N 3.34Å
145Q64.2Low68Low159 Ų159100 Ų10074%0.74365%0.646SS**Hα-helixtrans-76.1-23.4177-69.9-175.7-18.100112.7A141 A142 S148A141-Q145 PolarHBondContact O-N 3.02Å; A142-Q145 PolarHBondContact O-N 2.98Å; A142-Q145 VanDerWaalsContact O-N 3.16Å; Q145-S148 PolarHBondContact O-OG 3.42Å
146Q60.4Low66Low160 Ų16098.1 Ų98.175%0.74865%0.648SS**Hα-helixtrans-82.2-15176.2-108.3166.9-40.900114.3A142 K144 S149A142-Q146 PolarHBondContact O-N 2.88Å; K144-Q146 VanDerWaalsContact C-N 3.34Å; Q146-S149 PolarHBondContact O-OG 2.93Å
147A58.7Low64.4Low89 Ų89100.9 Ų100.974%0.73666%0.659SS**THydrogen-bonded Turntrans-89.2-5.4-179.400000114.1
148S55Low62.8Low95 Ų95102.6 Ų102.666%0.66467%0.671SS**THydrogen-bonded Turntrans-104.113.7-17959.20000114.5Q145Q145-S148 PolarHBondContact O-OG 3.42Å
149S57.5Low61.1Low88 Ų88107.2 Ų107.262%0.61569%0.687SS**SBendtrans-87.8123.3168.553.60000110.5Q146Q146-S149 PolarHBondContact O-OG 2.93Å
150P60.8Low59.7Low113 Ų113110.2 Ų110.273%0.73471%0.705SS**PPolyproline II helixtrans-66.4148.2178.327.4-33.3000111.6A152P150-A152 PolarHBondContact O-N 3.04Å
151P53.8Low58.3Low126 Ų126114.1 Ų114.182%0.81872%0.718SS**PPolyproline II helixtrans-71.1123.9178.129.6-31.9000109.9
152A54.4Low57.1Low91 Ų91117 Ų11775%0.75273%0.734SS**PPolyproline II helixtrans-70.5136.7171.500000110.4P150P150-A152 PolarHBondContact O-N 3.04Å
153P56.4Low55.7Low123 Ų123122 Ų12280%0.79975%0.749SS**PPolyproline II helixtrans-78.7130.1176.230.1-32.1000111.8
154S49.4Very low54.5Low115 Ų115124.8 Ų124.880%0.80477%0.765SS**PPolyproline II helixtrans-68.3137.1173.3-350000112.1
155P59.9Low53.4Low126 Ų126125.1 Ų125.182%0.81877%0.768SS**PPolyproline II helixtrans-97.8121.4156.631.3-26.3000111.6
156T46Very low52.8Low126 Ų126122.5 Ų122.577%0.77377%0.768SS**PPolyproline II helixtrans-48.3143.6160.5-48.50000111.8
157T50.2Low52.5Low120 Ų120120.8 Ų120.874%0.73677%0.768SS**  150.3138.6116.3-39.10000113.1
158S51.5Low52.2Low106 Ų106123.3 Ų123.374%0.74177%0.769SS**  trans89.896.4149.915.90000121.5
159N45.4Very low52.1Low156 Ų156123.7 Ų123.783%0.83477%0.772SS**  trans3.7133.3133.7-7710.3000118.9
160S52.9Low51.5Low127 Ų127124.1 Ų124.189%0.88878%0.781SS**  -172.2137.6108-76.50000112.8
161N48.8Very low50.3Low138 Ų138125 Ų12574%0.73879%0.789SS**  trans-51.9147.5178.1-81.5-14.2000115.4
162S51.9Low49.5Very low115 Ų115122.8 Ų122.880%0.80479%0.789SS**  trans-178.492.7136.8-73.30000108.2
163H47Very low48.5Very low157 Ų157122.9 Ų122.973%0.72780%0.798SS**  44.296.194.3-68.744.3000114.4
164S52.7Low47.7Very low121 Ų121120.2 Ų120.285%0.84679%0.793SS**  trans-165.3134.2131.829.90000111.3
165H45.1Very low47.1Very low176 Ų176120.6 Ų120.682%0.81580%0.796SS**  trans-79.6148.1-175.1-66.8-101.1000112
166S50.9Low46.2Very low105 Ų105120.4 Ų120.473%0.73480%0.797SS**  trans174.7102.6138.4-74.60000107.4
167T53.8Low45.6Very low123 Ų123119.5 Ų119.576%0.75580%0.796SS**  55.4131.3102.363.20000112.9
168N53.8Low44.9Very low142 Ų142118.9 Ų118.976%0.75980%0.796SS**  cis-164.914411-1274.9000109.1
169S52.2Low44.1Very low104 Ų104119.8 Ų119.873%0.72780%0.803SS**  trans60.1128.8137.361.70000123.7
170A45.2Very low43.9Very low97 Ų97117.9 Ų117.980%0.80280%0.802SS**  trans102.489136.900000118.7
171C34.4Very low43.1Very low132 Ų132117.1 Ų117.189%0.89280%0.796SS**  trans-50.1141.3150.849.50000113.9
172G37.9Very low42.7Very low79 Ų79116 Ų11681%0.81480%0.799SS**  trans166.355.2171.400000114.5G174G172-G174 PolarHBondContact O-N 3.21Å
173G33.8Very low42Very low92 Ų92116.2 Ų116.295%0.94880%0.801SS**  trans-92.678.8175.200000111.8
174G38.6Very low41.4Very low67 Ų67114.4 Ų114.469%0.69181%0.806SS**  trans-102.7120.7175.200000112G172G172-G174 PolarHBondContact O-N 3.21Å
175S36.5Very low41Very low124 Ų124114.1 Ų114.187%0.86780%0.804SS**  trans-14.7132.2162.637.80000119.3
176S41.2Very low40.6Very low121 Ų121112.2 Ų112.285%0.84681%0.805SS**  trans-147.5130.5143.657.10000112.1
177S34.9Very low40.5Very low107 Ų107114.2 Ų114.275%0.74881%0.812SS**  trans-74.8166.6175.343.30000112.8
178S34.6Very low39.5Very low107 Ų107113.3 Ų113.375%0.74881%0.811SS**  trans73.3110.6157.364.50000118.4
179S35.2Very low39Very low125 Ų125112.6 Ų112.687%0.87482%0.815SS**  160.9101.4115.348.50000110
180S40.6Very low38.3Very low116 Ų116114.6 Ų114.681%0.81182%0.818SS**  trans-11299.6161.957.60000107.4
181S35.8Very low38.2Very low111 Ų111117.9 Ų117.978%0.77682%0.822SS**  trans-54.8132.3171.635.60000111.8
182S41.1Very low38.4Very low114 Ų114115.2 Ų115.280%0.79781%0.809SS**  trans-144.277.1165.3-59.30000108.4
183S37.3Very low39Very low121 Ų121120.6 Ų120.685%0.84682%0.816SS**  trans27.398.2144.7-43.20000118.5
184S33.6Very low39.3Very low119 Ų119120.2 Ų120.283%0.83280%0.804SS**  trans-82.7114.3158.850.40000110.1
185S44.2Very low39.7Very low114 Ų114124 Ų12480%0.79781%0.807SS**  trans-93.4119.8167.555.50000110.1
186V38.1Very low40.2Very low137 Ų137125.6 Ų125.683%0.8380%0.8SS**  trans-57.2133.1172-69.90000112.2
187V48.7Very low40.1Very low146 Ų146131.2 Ų131.289%0.88580%0.803SS**  trans-138.8119.5152.3-71.20000109
188S32.9Very low40.3Very low105 Ų105130 Ų13073%0.73481%0.807SS**  trans-83.6140.2173.1-159.30000109.4
189C41.8Very low40.6Very low126 Ų126128.4 Ų128.485%0.85181%0.807SS**  trans-151.8106.4144.9480000108.3
190D37.7Very low40.9Very low147 Ų147130.9 Ų130.979%0.78681%0.809SS**  trans-57.7135.6160.1-66.9-90.7000109.6
191D43.5Very low40.8Very low165 Ų165128.3 Ų128.388%0.88280%0.801SS**  trans-152.1134.3136.9-139.7-25.1000111.2
192A37.6Very low40.9Very low76 Ų76129.7 Ų129.763%0.62881%0.805SS**  trans-105.2134.1-168.600000109.7
193M52.2Low40.9Very low192 Ų192132.4 Ų132.495%0.94681%0.809SS**  trans-149.8117.9142.4-88.9-52.5154.700110.4
194A39.2Very low40.7Very low85 Ų85129.9 Ų129.970%0.70280%0.803SS**  trans-73.1154167.100000110.8
195I46.9Very low40.9Very low147 Ų147128.8 Ų128.875%0.75480%0.8SS**  179.3114.3116-88.5168.9000110.9
196Q46.7Very low40.8Very low157 Ų157128.4 Ų128.473%0.73480%0.798SS**  trans62.6111.8137-61.9179.428.400123.7
197R40Very low41Very low239 Ų239130.6 Ų130.690%0.90280%0.799SS**  90.5118.8117.4-80.4-172.7168.5-152.6-0.7121.6
198G39.7Very low40.9Very low80 Ų80129.4 Ų129.483%0.82579%0.792SS**  trans93.9116.5145.300000114.7
199G39Very low41.2Very low74 Ų74134.4 Ų134.476%0.76380%0.796SS**  cis82106.936.900000108.8
200I42.1Very low41.6Very low177 Ų177138.9 Ų138.991%0.90880%0.795SS**  -175.5133.368.3-83.3154.4000108.2
201G39.2Very low42.1Very low63 Ų63135.6 Ų135.665%0.64978%0.782SS**  89.496.2114.400000114.9
202V37.8Very low42Very low139 Ų139136.2 Ų136.284%0.84278%0.779SS**  58.5119.588.7178.80000114.4
203L40.2Very low41.9Very low172 Ų172142.2 Ų142.290%0.90179%0.792SS**  trans161.3136.8142.7-79.7-176.2000105.2
204G34.7Very low41.4Very low68 Ų68137.3 Ų137.370%0.70178%0.782SS**  cis121110.228.500000108.1
205A37.1Very low41.1Very low95 Ų95140.5 Ų140.579%0.78579%0.792SS**  trans74.6128.7160.600000120.8
206S41.5Very low40.7Very low106 Ų106138.2 Ų138.274%0.74180%0.796SS**  trans4199.6145.462.10000118.9
207E42.2Very low40.1Very low183 Ų183134.1 Ų134.186%0.85580%0.795SS**  trans-155.2109.2153.7-149.590.9-140.500111.6
208V46.6Very low40Very low122 Ų122126.8 Ų126.874%0.73979%0.786SS**  trans16.1124.3137.1-175.50000118.1R210V208-R210 PolarHBondContact O-N 3.4Å
209Y39.7Very low40.4Very low210 Ų210130.9 Ų130.982%0.82478%0.783SS**  trans-52120.9165.1176.1-98.4000112.2P211Y209-P211 HydrophobicContact CE1-CG 4.13Å
210R50.7Low40.7Very low219 Ų219136 Ų13683%0.82679%0.788SS**  trans-149.8118.5165-151.6-174.6-174.1121.61.3109.2V208 E212V208-R210 PolarHBondContact O-N 3.4Å; R210-E212 PolarHBondContact O-N 3.15Å
211P48.4Very low40.5Very low78 Ų78136 Ų13651%0.50678%0.781SS.*  trans-84.9109.81718.38.5000108.9Y209Y209-P211 HydrophobicContact CE1-CG 4.13Å
212E41.3Very low40.3Very low178 Ų178139.6 Ų139.683%0.83279%0.786SS**  trans-77.5130163.2-93.3-157154.300110.2R210 A214R210-E212 PolarHBondContact O-N 3.15Å; E212-A214 PolarHBondContact O-N 3.02Å
213F34.3Very low40.5Very low203 Ų203138.9 Ų138.989%0.8979%0.787SS**  trans-78.3107.8169.2-68.3-102.7000107.6
214A41.4Very low41Very low89 Ų89140.1 Ų140.174%0.73678%0.78SS**  trans-128.9104.417000000109.8E212E212-A214 PolarHBondContact O-N 3.02Å
215T34.1Very low41.7Very low151 Ų151145.1 Ų145.193%0.92679%0.787SS**  trans-33.8116167.1-38.60000114.4
216A37.6Very low41.9Very low100 Ų100149.9 Ų149.983%0.82679%0.79SS**  trans-163.7118.7156.100000111.4
217G35.1Very low41.7Very low70 Ų70151 Ų15172%0.72279%0.788SS**  trans91.2106171.500000112.9
218A37.4Very low41.8Very low85 Ų85147.9 Ų147.970%0.70279%0.787SS**  39.995.362.900000107.9
219E48.4Very low41.7Very low166 Ų166147.1 Ų147.178%0.77679%0.793SS**  -160.1145.973-50.1-69.3117.900109.3
220E45Very low41.8Very low183 Ų183146.8 Ų146.886%0.85580%0.796SS**  trans70.9136.3141.7-142.9171.9-175.600119.2
221F38.5Very low41.3Very low176 Ų176141.2 Ų141.277%0.77280%0.797SS**  trans99.468.5155.4-131.6-90.2000119.5
222D35Very low41.1Very low139 Ų139145.9 Ų145.974%0.74381%0.812SS**  -159.384.8129.1-118.8-16.9000109.8W224D222-W224 PolarHBondContact OD1-NE1 3.22Å
223S42.1Very low41.2Very low124 Ų124147.4 Ų147.487%0.86782%0.816SS**  trans-133.943.3-175.7-161.70000111.9
224W49.3Very low41.9Very low197 Ų197142.9 Ų142.975%0.74681%0.807SS**SBendtrans-127.330.3176.964.3-76.6000112.4D222D222-W224 PolarHBondContact OD1-NE1 3.22Å
225M49.1Very low41.6Very low174 Ų174143.3 Ų143.386%0.85781%0.811SS**SBendtrans-145.242175.1-150.1172126.800112
226F42Very low42.1Very low195 Ų195144 Ų14486%0.85581%0.808SS**SBendtrans-156.4119.5158.5-137.6-97.5000111
227D38.1Very low42.1Very low129 Ų129147 Ų14769%0.6981%0.81SS**  trans22.5111.6160.3-78.3-45.9000120.9A229D227-A229 PolarHBondContact O-N 2.97Å
228S44.1Very low42.5Very low118 Ų118149 Ų14983%0.82581%0.813SS**THydrogen-bonded Turntrans-47.6128.4147.9-56.10000112
229A43.6Very low42.6Very low105 Ų105152.8 Ų152.887%0.86881%0.814SS**THydrogen-bonded Turntrans83.630.8151.700000120.5D227D227-A229 PolarHBondContact O-N 2.97Å
230F43Very low42.4Very low203 Ų203151.8 Ų151.889%0.8982%0.819SS**  trans-126.263.6169.4-162.5-93.7000113.1
231A40.4Very low42.3Very low103 Ų103146 Ų14685%0.85180%0.803SS**SBendtrans-169.556.2163.900000112.1
232Q43Very low42.7Very low176 Ų176144 Ų14482%0.82280%0.804SS**  trans-152.870.8165.6-169.6171.4-25.200110.6
233F44.3Very low43.1Very low210 Ų210144.3 Ų144.392%0.92181%0.806SS**SBendtrans-147.3136.1145.7-80.5-66.2000109.2
234P47.9Very low43.1Very low108 Ų108143.4 Ų143.470%0.70180%0.8SS**  trans-76.6151-164.932-33.6000111.8L236P234-L236 PolarHBondContact O-N 2.9Å
235A35.8Very low42.9Very low98 Ų98140.2 Ų140.281%0.8180%0.802SS**  trans-52.4120.8167.700000110.9
236L44.3Very low42.9Very low164 Ų164137.7 Ų137.786%0.85980%0.796SS**  trans-124.990.7158.4-86169.9000107.3P234 S238P234-L236 PolarHBondContact O-N 2.9Å; L236-S238 PolarHBondContact O-N 2.77Å
237D37.4Very low43.1Very low163 Ų163134.3 Ų134.387%0.87279%0.794SS**  trans-54.3108.7150-82.9-43.2000108.2
238S43.4Very low43.1Very low113 Ų113134.5 Ų134.579%0.7980%0.799SS**  trans-177.3140.4150.4-170.50000110.2L236L236-S238 PolarHBondContact O-N 2.77Å
239F40.8Very low43.1Very low165 Ų165133.7 Ų133.772%0.72480%0.8SS**  trans84.564162.7-158.4-101.5000117.3A241F239-A241 WeakPolarHBondContact CE2-O 3.45Å; F239-A241 WeakPolarHBondContact CZ-O 3.5Å
240V42.2Very low43.1Very low144 Ų144132 Ų13287%0.87379%0.793SS**  -75.3132.3127.8-76.40000108
241A43.2Very low43.2Very low63 Ų63126.9 Ų126.952%0.52179%0.787SS.*  trans134.4135.1148.400000114.8F239F239-A241 WeakPolarHBondContact CE2-O 3.45Å; F239-A241 WeakPolarHBondContact CZ-O 3.5Å
242V48.3Very low43.4Very low132 Ų132127.5 Ų127.580%0.878%0.781SS**  trans95.382157.1-164.30000116.5
243D43Very low43.6Very low146 Ų146127.6 Ų127.678%0.78178%0.781SS**  6.9132.5124.2-96-31.7000119.5
244S42.5Very low44Very low105 Ų105126 Ų12673%0.73478%0.777SS**  trans92.5135.4133.7860000120.5
245V43.8Very low44Very low131 Ų131125.1 Ų125.179%0.79477%0.771SS**  trans96.298.1152.8-172.40000118.1
246V49.6Very low44.4Very low120 Ų120127.8 Ų127.873%0.72777%0.77SS**  trans-71.7147.8154.3174.50000108.3
247P45.6Very low44.4Very low125 Ų125126.6 Ų126.681%0.81277%0.769SS**  -144.4145.893.329.3-7.1000117.6
248V40.1Very low44.6Very low132 Ų132123.5 Ų123.580%0.877%0.766SS**  trans-76.7140.2166.9154.90000111.4
249A42.7Very low44.6Very low102 Ų102122.7 Ų122.784%0.84377%0.767SS**  trans177.1137142.400000107.7
250G43.8Very low45.2Very low70 Ų70121.2 Ų121.272%0.72277%0.771SS**  cis171.3173.75.800000108.1
251A44.4Very low45.8Very low94 Ų94124.9 Ų124.978%0.77777%0.769SS**  trans69.7129170.500000115.3
252T44.7Very low46.1Very low116 Ų116125 Ų12571%0.71278%0.777SS**  cis-172.5133.227.23.40000107.9
253E47.5Very low46.5Very low178 Ų178121.8 Ų121.883%0.83276%0.764SS**  trans6785.4140.7-39.7-86.113500120.1
254E52.4Low47.3Very low177 Ų177120.8 Ų120.883%0.82775%0.754SS**  6.3163.5120-74-62.1111.500120
255P49.4Very low47.9Very low90 Ų90123.5 Ų123.558%0.58476%0.758SS**  cis-151.7-176.9-18.734.9-10.6000118.2
256I42.5Very low49.9Very low153 Ų153119.8 Ų119.879%0.78574%0.741SS**  trans73.5102.6152.2-20.2175.7000118.5
257V45Very low51.6Low140 Ų140119.4 Ų119.485%0.84873%0.731SS**SBend166.8130.5123.4167.50000107.2
258A42.2Very low53.6Low97 Ų97119.5 Ų119.580%0.80272%0.719SS**  trans90.374171.200000118.7
259A43.6Very low55.9Low97 Ų97118.2 Ų118.280%0.80270%0.704SS**  trans-148.654160.500000112.5
260T53.3Low58.2Low134 Ų134122.2 Ų122.282%0.82270%0.697SS**SBendtrans-106.82.8179.838.50000115
261R53.7Low60.5Low221 Ų221121.2 Ų121.283%0.83468%0.675SS**SBendtrans-109.7-14.4-175.3-135.6176-172.2147.51.8115.9
262G50.8Low62.8Low65 Ų65122.1 Ų122.167%0.6766%0.661SS**SBendtrans-85-25.2177.100000114.2
263A56.8Low65.1Low64 Ų64120.5 Ų120.553%0.52965%0.651SS.*Hα-helixtrans-73.2-28177.200000112.6M265 A266 E267A263-M265 PolarHBondContact O-N 2.69Å; A263-A266 PolarHBondContact O-N 3.31Å; A263-E267 WeakPolarHBondContact O-CB 3.07Å; A263-E267 PolarHBondContact O-N 3.43Å
264E58.2Low67.3Low126 Ų126118 Ų11859%0.58964%0.64SS**Hα-helixtrans-67.5-34.7-173.6-140.1-166.6167.300112.9E267 F268E264-E267 PolarHBondContact O-N 3.02Å; E264-F268 WeakPolarHBondContact O-CB 3.49Å; E264-F268 PolarHBondContact O-N 2.95Å
265M57Low69.4Low162 Ų162117.7 Ų117.780%0.79863%0.631SS**Hα-helixtrans-69.5-37.9175.2-103.8-160-178.300112.3A263 F268 E269A263-M265 PolarHBondContact O-N 2.69Å; M265-F268 PolarHBondContact O-N 3.02Å; M265-E269 PolarHBondContact O-N 3.19Å
266A84.4Confident71.5Confident53 Ų53122.4 Ų122.444%0.43864%0.637SS.*Hα-helixtrans-70.1-35.8175.900000111.3A263 R270A263-A266 PolarHBondContact O-N 3.31Å; A266-R270 WeakPolarHBondContact O-CB 3.42Å; A266-R270 WeakPolarHBondContact O-CG 3.09Å; A266-R270 PolarHBondContact O-N 3.05Å
267E86.4Confident73.8Confident112 Ų112120.3 Ų120.352%0.52363%0.626SS.*Hα-helixtrans-65.4-42.8173.4-172.2170-17100111.5A263 E264 E269 R270 I271A263-E267 WeakPolarHBondContact O-CB 3.07Å; A263-E267 PolarHBondContact O-N 3.43Å; E264-E267 PolarHBondContact O-N 3.02Å; E267-E269 PolarHBondContact O-N 2.68Å; E267-R270 PolarHBondContact O-N 3.47Å; E267-I271 HydrophobicContact CG-CD1 3.89Å; E267-I271 HydrophobicContact CG-CG1 4.42Å; E267-I271 WeakPolarHBondContact O-CB 3.37Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.47Å
268F86.7Confident76.1Confident126 Ų126116.6 Ų116.655%0.55361%0.606SS**Hα-helixtrans-59.4-46.1176.3-178.4-97.8000113E264 M265 I271 K272E264-F268 WeakPolarHBondContact O-CB 3.49Å; E264-F268 PolarHBondContact O-N 2.95Å; M265-F268 PolarHBondContact O-N 3.02Å; F268-I271 PolarHBondContact O-N 3.3Å; F268-K272 PolarHBondContact O-N 3.33Å
269E89.3Confident78.5Confident106 Ų106115 Ų11550%0.49559%0.593SS.*Hα-helixtrans-66.4-39.7176.1-74.3-62.1156.500112M265 E267 I271 K272 V273M265-E269 PolarHBondContact O-N 3.19Å; E267-E269 PolarHBondContact O-N 2.68Å; E269-I271 PolarHBondContact O-N 2.95Å; E269-K272 PolarHBondContact O-N 3.46Å; E269-V273 WeakPolarHBondContact O-CG2 3.41Å; E269-V273 PolarHBondContact O-N 3.38Å
270R90Very high80.7Confident185 Ų185113.9 Ų113.970%0.69858%0.579SS**Hα-helixtrans-59-46.1172.8-76.5173.2-174.4-88.30.8111.7A266 E267 K272 V273 E274A266-R270 WeakPolarHBondContact O-CB 3.42Å; A266-R270 WeakPolarHBondContact O-CG 3.09Å; A266-R270 PolarHBondContact O-N 3.05Å; E267-R270 PolarHBondContact O-N 3.47Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 3.34Å; R270-V273 PolarHBondContact O-N 3.36Å; R270-E274 WeakPolarHBondContact O-CB 3.44Å; R270-E274 PolarHBondContact O-N 3.01Å
271I93.1Very high82.4Confident50 Ų50112.5 Ų112.526%0.25657%0.566SS.*Hα-helixtrans-61.2-37.9177.2-70.1164.9000110.9E267 F268 E269 E274 R275E267-I271 HydrophobicContact CG-CD1 3.89Å; E267-I271 HydrophobicContact CG-CG1 4.42Å; E267-I271 WeakPolarHBondContact O-CB 3.37Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.47Å; F268-I271 PolarHBondContact O-N 3.3Å; E269-I271 PolarHBondContact O-N 2.95Å; I271-E274 PolarHBondContact O-N 2.98Å; I271-R275 HydrophobicContact CG2-CG 4.32Å; I271-R275 VanDerWaalsContact CG2-NH1 3.35Å; I271-R275 WeakPolarHBondContact O-CB 3.34Å; I271-R275 VanDerWaalsContact O-CG 3.28Å; I271-R275 WeakPolarHBondContact O-CG 3.17Å; I271-R275 PolarHBondContact O-N 3.47Å
272K93.1Very high84.2Confident113 Ų113111.3 Ų111.349%0.49156%0.563SS.*Hα-helixtrans-66.1-42.9178.1-168.9176.6-179.9-177.70111.8F268 E269 R270 R276F268-K272 PolarHBondContact O-N 3.33Å; E269-K272 PolarHBondContact O-N 3.46Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 3.34Å; K272-R276 WeakPolarHBondContact O-CG 3.43Å; K272-R276 PolarHBondContact O-N 3.49Å; K272-R276 VanDerWaalsContact O-N 3.1Å
273V92.1Very high85.8Confident82 Ų82111.1 Ų111.150%0.49756%0.556SS.*Hα-helixtrans-64.2-46.3174.7174.20000110.6E269 R270 R275 R276 I277E269-V273 WeakPolarHBondContact O-CG2 3.41Å; E269-V273 PolarHBondContact O-N 3.38Å; R270-V273 PolarHBondContact O-N 3.36Å; V273-R275 PolarHBondContact O-N 3.34Å; V273-R276 PolarHBondContact O-N 2.81Å; V273-R276 VanDerWaalsContact O-N 3.16Å; V273-I277 HydrophobicContact CG1-CD1 3.77Å; V273-I277 HydrophobicContact CG1-CG1 4.41Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.36Å
274E94.3Very high87Confident126 Ų126113.8 Ų113.859%0.58956%0.559SS**Hα-helixtrans-62.4-41.8179.1-171.2179.5173.400112.3R270 I271 R276 I277 S278R270-E274 WeakPolarHBondContact O-CB 3.44Å; R270-E274 PolarHBondContact O-N 3.01Å; I271-E274 PolarHBondContact O-N 2.98Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 2.93Å; E274-I277 PolarHBondContact O-N 2.89Å; E274-S278 VanDerWaalsContact O-CB 3.28Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 2.92Å
275R95.5Very high87.8Confident170 Ų170112.4 Ų112.464%0.64256%0.555SS**Hα-helixtrans-63.1-38.5173.9-77.2179.1179.9142.53.5112.2I271 V273 A279I271-R275 HydrophobicContact CG2-CG 4.32Å; I271-R275 VanDerWaalsContact CG2-NH1 3.35Å; I271-R275 WeakPolarHBondContact O-CB 3.34Å; I271-R275 VanDerWaalsContact O-CG 3.28Å; I271-R275 WeakPolarHBondContact O-CG 3.17Å; I271-R275 PolarHBondContact O-N 3.47Å; V273-R275 PolarHBondContact O-N 3.34Å; R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.26Å
276R93Very high88.3Confident189 Ų189107.2 Ų107.271%0.71354%0.543SS*.Hα-helixtrans-65.8-46.4175.2-75.7-178.274.6178.35.3111.5K272 V273 E274 S278 A279 S280K272-R276 WeakPolarHBondContact O-CG 3.43Å; K272-R276 PolarHBondContact O-N 3.49Å; K272-R276 VanDerWaalsContact O-N 3.1Å; V273-R276 PolarHBondContact O-N 2.81Å; V273-R276 VanDerWaalsContact O-N 3.16Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 2.93Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 3.44Å; R276-A279 PolarHBondContact O-N 2.93Å; R276-S280 PolarHBondContact O-N 3.32Å; R276-S280 PolarHBondContact O-OG 2.93Å; R276-S280 VanDerWaalsContact O-OG 3.1Å
277I91.6Very high87.1Confident109 Ų109108.2 Ų108.256%0.55954%0.541SS*.Hα-helixtrans-61.5-45.3177.4-65.7168.6000110V273 E274 S280 L281V273-I277 HydrophobicContact CG1-CD1 3.77Å; V273-I277 HydrophobicContact CG1-CG1 4.41Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.36Å; E274-I277 PolarHBondContact O-N 2.89Å; I277-S280 PolarHBondContact O-N 3.13Å; I277-L281 VanDerWaalsContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CB 3.28Å; I277-L281 PolarHBondContact O-N 3.31Å
278S94.3Very high85.9Confident62 Ų62108 Ų10843%0.43454%0.54SS..Hα-helixtrans-64.1-41.3179.3-58.20000112.6E274 R276 L281 Y282E274-S278 VanDerWaalsContact O-CB 3.28Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 2.92Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 3.44Å; S278-L281 PolarHBondContact O-N 3.48Å; S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.4Å
279A90.9Very high84.7Confident63 Ų63108.2 Ų108.252%0.52154%0.542SS..Hα-helixtrans-65.4-43176.700000111.9R275 R276 Y282 A283R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.26Å; R276-A279 PolarHBondContact O-N 2.93Å; A279-Y282 PolarHBondContact O-N 3.18Å; A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.41Å
280S90.5Very high83.3Confident74 Ų74110 Ų11052%0.51755%0.545SS..Hα-helixtrans-64-43.9174.4-62.60000111.8R276 I277 A283 M284R276-S280 PolarHBondContact O-N 3.32Å; R276-S280 PolarHBondContact O-OG 2.93Å; R276-S280 VanDerWaalsContact O-OG 3.1Å; I277-S280 PolarHBondContact O-N 3.13Å; S280-A283 PolarHBondContact O-N 3Å; S280-M284 WeakPolarHBondContact O-CB 3.45Å; S280-M284 VanDerWaalsContact O-CG 3.26Å; S280-M284 WeakPolarHBondContact O-CG 3.39Å; S280-M284 PolarHBondContact O-N 3.38Å
281L89.8Confident81.9Confident104 Ų104106 Ų10655%0.54553%0.534SS..Hα-helixtrans-63.1-42.8177.1-174.266000111.1I277 S278 A283 M284 N285I277-L281 VanDerWaalsContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CB 3.28Å; I277-L281 PolarHBondContact O-N 3.31Å; S278-L281 PolarHBondContact O-N 3.48Å; L281-A283 PolarHBondContact O-N 3.4Å; L281-M284 PolarHBondContact O-N 3.41Å; L281-N285 WeakPolarHBondContact CD1-OD1 3.43Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 2.91Å; L281-N285 PolarHBondContact O-OD1 3.09Å
282Y89.6Confident80.5Confident196 Ų196107.4 Ų107.477%0.76954%0.542SS*.Hα-helixtrans-63.5-40.8176-175.8-97.7000112.5S278 A279 M284 N285 G286S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.4Å; A279-Y282 PolarHBondContact O-N 3.18Å; Y282-M284 VanDerWaalsContact C-N 3.33Å; Y282-M284 PolarHBondContact O-N 2.96Å; Y282-N285 PolarHBondContact O-N 3Å; Y282-G286 PolarHBondContact O-N 3.44Å; Y282-G286 VanDerWaalsContact O-N 3.16Å
283A85.9Confident79.1Confident62 Ų62111.4 Ų111.451%0.51255%0.553SS.*Hα-helixtrans-64.5-37.9175.600000112.2A279 S280 L281A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.41Å; S280-A283 PolarHBondContact O-N 3Å; L281-A283 PolarHBondContact O-N 3.4Å
284M82.4Confident77.6Confident120 Ų120110.7 Ų110.759%0.59155%0.549SS*.Hα-helixtrans-73.9-37.1175.8-68.9-66.3-62.400112.6S280 L281 Y282 G286 L287 Q288S280-M284 WeakPolarHBondContact O-CB 3.45Å; S280-M284 VanDerWaalsContact O-CG 3.26Å; S280-M284 WeakPolarHBondContact O-CG 3.39Å; S280-M284 PolarHBondContact O-N 3.38Å; L281-M284 PolarHBondContact O-N 3.41Å; Y282-M284 VanDerWaalsContact C-N 3.33Å; Y282-M284 PolarHBondContact O-N 2.96Å; M284-G286 VanDerWaalsContact C-N 3.28Å; M284-G286 PolarHBondContact O-N 2.95Å; M284-L287 WeakPolarHBondContact O-CA 3.39Å; M284-L287 VanDerWaalsContact O-CB 3.29Å; M284-L287 WeakPolarHBondContact O-CB 3.47Å; M284-L287 PolarHBondContact O-N 3.36Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; M284-Q288 PolarHBondContact O-N 3.47Å
285N73.5Confident75.9Confident97 Ų97109.4 Ų109.452%0.51955%0.546SS..Hα-helixtrans-65.8-32.2177.1-81.343.5000111.9L281 Y282 L287 Q288L281-N285 WeakPolarHBondContact CD1-OD1 3.43Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 2.91Å; L281-N285 PolarHBondContact O-OD1 3.09Å; Y282-N285 PolarHBondContact O-N 3Å; N285-L287 PolarHBondContact O-N 3.25Å; N285-Q288 PolarHBondContact O-N 2.94Å
286G67Low73.9Confident53 Ų53107.5 Ų107.555%0.54655%0.549SS..Hα-helixtrans-67-23.1170.200000113.9Y282 M284Y282-G286 PolarHBondContact O-N 3.44Å; Y282-G286 VanDerWaalsContact O-N 3.16Å; M284-G286 VanDerWaalsContact C-N 3.28Å; M284-G286 PolarHBondContact O-N 2.95Å
287L60.7Low72.1Confident74 Ų74102.3 Ų102.339%0.38755%0.546SS..Hα-helixtrans-79-27.7172.8-80.7162.9000112.3M284 N285 E289 Y290 F291M284-L287 WeakPolarHBondContact O-CA 3.39Å; M284-L287 VanDerWaalsContact O-CB 3.29Å; M284-L287 WeakPolarHBondContact O-CB 3.47Å; M284-L287 PolarHBondContact O-N 3.36Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; N285-L287 PolarHBondContact O-N 3.25Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.29Å; L287-Y290 WeakPolarHBondContact O-CA 3.49Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.33Å; L287-F291 HydrophobicContact CB-CD2 4.38Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.48Å; L287-F291 PolarHBondContact O-N 3.39Å
288Q59.9Low70.3Confident108 Ų108101 Ų10151%0.50555%0.547SS..Hα-helixtrans-62-41.8178.4-162.666.227.500111.3M284 N285 Y290 F291 D292M284-Q288 PolarHBondContact O-N 3.47Å; N285-Q288 PolarHBondContact O-N 2.94Å; Q288-Y290 VanDerWaalsContact C-N 3.25Å; Q288-Y290 PolarHBondContact O-N 3.16Å; Q288-F291 PolarHBondContact O-N 3.42Å; Q288-F291 VanDerWaalsContact O-N 3.17Å; Q288-D292 PolarHBondContact O-N 2.95Å
289E61.6Low68.3Low129 Ų129101.7 Ų101.760%0.60356%0.556SS**Hα-helixtrans-64.9-26.7173.7-66.8-73.7159.200113.1L287 R293L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.29Å; E289-R293 VanDerWaalsContact O-CB 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 WeakPolarHBondContact O-CD 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.47Å; E289-R293 PolarHBondContact O-N 2.91Å
290Y60.5Low66.1Low143 Ų143103.5 Ų103.556%0.56156%0.564SS**Hα-helixtrans-74.4-43.6172.3177.8-96.7000110.8L287 Q288 R293 V294L287-Y290 WeakPolarHBondContact O-CA 3.49Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.33Å; Q288-Y290 VanDerWaalsContact C-N 3.25Å; Q288-Y290 PolarHBondContact O-N 3.16Å; Y290-R293 PolarHBondContact O-N 2.92Å; Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.35Å; Y290-V294 HydrophobicContact CE1-CG2 3.92Å; Y290-V294 HydrophobicContact CE2-CG2 4.04Å; Y290-V294 HydrophobicContact CG-CG2 4.45Å; Y290-V294 VanDerWaalsContact O-CB 3.3Å; Y290-V294 WeakPolarHBondContact O-CB 3.5Å; Y290-V294 WeakPolarHBondContact O-CG2 3.42Å; Y290-V294 PolarHBondContact O-N 3.26Å
291F61.6Low63.8Low102 Ų102106.9 Ų106.945%0.44758%0.576SS.*Hα-helixtrans-70.2-39.6177.9-76.1-68.6000112.6L287 Q288 R293 V294 L295L287-F291 HydrophobicContact CB-CD2 4.38Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.48Å; L287-F291 PolarHBondContact O-N 3.39Å; Q288-F291 PolarHBondContact O-N 3.42Å; Q288-F291 VanDerWaalsContact O-N 3.17Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 3.2Å; F291-V294 CarbonylContact O-C 3.58Å; F291-V294 PolarHBondContact O-N 2.97Å; F291-L295 HydrophobicContact CB-CD1 4.2Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 WeakPolarHBondContact O-CD1 3.47Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 3.38Å
292D62.1Low61.6Low80 Ų80106.8 Ų106.843%0.42858%0.584SS.*Hα-helixtrans-65.6-38.6175.4-73.5-20.6000110.6Q288 V294 D296Q288-D292 PolarHBondContact O-N 2.95Å; D292-V294 PolarHBondContact O-N 3.4Å; D292-D296 VanDerWaalsContact O-CB 3.31Å; D292-D296 WeakPolarHBondContact O-CB 3.22Å; D292-D296 PolarHBondContact O-N 3.03Å
293R63.6Low59.6Low196 Ų196105.5 Ų105.574%0.7459%0.589SS**Hα-helixtrans-67.5-34.2172.6-76.5176.3144-166.4-5.9113.8E289 Y290 F291 A297E289-R293 VanDerWaalsContact O-CB 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 WeakPolarHBondContact O-CD 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.47Å; E289-R293 PolarHBondContact O-N 2.91Å; Y290-R293 PolarHBondContact O-N 2.92Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 3.2Å; R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 3.41Å
294V60.5Low58.4Low68 Ų68114.7 Ų114.741%0.41261%0.611SS.*Hα-helixtrans-80.1-32.6178.7171.10000111.4Y290 F291 D292 S298Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.35Å; Y290-V294 HydrophobicContact CE1-CG2 3.92Å; Y290-V294 HydrophobicContact CE2-CG2 4.04Å; Y290-V294 HydrophobicContact CG-CG2 4.45Å; Y290-V294 VanDerWaalsContact O-CB 3.3Å; Y290-V294 WeakPolarHBondContact O-CB 3.5Å; Y290-V294 WeakPolarHBondContact O-CG2 3.42Å; Y290-V294 PolarHBondContact O-N 3.26Å; F291-V294 CarbonylContact O-C 3.58Å; F291-V294 PolarHBondContact O-N 2.97Å; D292-V294 PolarHBondContact O-N 3.4Å; V294-S298 WeakPolarHBondContact O-CB 3.49Å; V294-S298 PolarHBondContact O-N 2.95Å
295L58.8Low56.8Low99 Ų99115.7 Ų115.752%0.51862%0.619SS.*Hα-helixtrans-81.6-40.9179.3-78154.9000112.2F291 A297 S298 A299F291-L295 HydrophobicContact CB-CD1 4.2Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 WeakPolarHBondContact O-CD1 3.47Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 3.38Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.44Å; L295-S298 CarbonylContact O-C 3.59Å; L295-S298 WeakPolarHBondContact O-CA 3.5Å; L295-S298 WeakPolarHBondContact O-CB 3.48Å; L295-S298 PolarHBondContact O-N 2.98Å; L295-S298 PolarHBondContact O-OG 3.5Å; L295-A299 PolarHBondContact O-N 3.04Å
296D54.6Low55.6Low130 Ų130118 Ų11870%0.69563%0.631SS**Hα-helixtrans-66.2-34.2171-101.4-7.1000111.3D292 S298 A299D292-D296 VanDerWaalsContact O-CB 3.31Å; D292-D296 WeakPolarHBondContact O-CB 3.22Å; D292-D296 PolarHBondContact O-N 3.03Å; D296-S298 PolarHBondContact O-N 3.01Å; D296-A299 PolarHBondContact O-N 2.97Å
297A54.3Low54.5Low79 Ų79120.7 Ų120.765%0.65364%0.64SS**THydrogen-bonded Turntrans-67.7-17.9170.900000113R293 L295R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 3.41Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.44Å
298S53.7Low54Low83 Ų83122.2 Ų122.258%0.5866%0.655SS**THydrogen-bonded Turntrans-95.2-14.5176.483.20000113.8V294 L295 D296V294-S298 WeakPolarHBondContact O-CB 3.49Å; V294-S298 PolarHBondContact O-N 2.95Å; L295-S298 CarbonylContact O-C 3.59Å; L295-S298 WeakPolarHBondContact O-CA 3.5Å; L295-S298 WeakPolarHBondContact O-CB 3.48Å; L295-S298 PolarHBondContact O-N 2.98Å; L295-S298 PolarHBondContact O-OG 3.5Å; D296-S298 PolarHBondContact O-N 3.01Å
299A54.1Low53.4Low75 Ų75124.5 Ų124.562%0.6267%0.67SS**SBendtrans-96.5-1.2-177.300000114L295 D296L295-A299 PolarHBondContact O-N 3.04Å; D296-A299 PolarHBondContact O-N 2.97Å
300C44.2Very low52.9Low102 Ų102124.2 Ų124.269%0.68968%0.68SS**SBendtrans-10697.9166-1650000109.5S302C300-S302 PolarHBondContact O-N 3.38Å
301D41.1Very low52.4Low145 Ų145129.8 Ų129.878%0.77571%0.711SS**  trans-41.5132.2166.4-81.1-60.6000113
302S43.7Very low52Low101 Ų101131.2 Ų131.271%0.70672%0.724SS**  trans8030142.2-54.70000120.8C300 W304C300-S302 PolarHBondContact O-N 3.38Å; S302-W304 PolarHBondContact O-N 3.39Å
303L49Very low51.4Low169 Ų169133.8 Ų133.889%0.88574%0.74SS**THydrogen-bonded Turntrans-7752.6170-159.683.2000113.8
304W60.6Low50.8Low255 Ų255130.4 Ų130.497%0.96674%0.74SS**THydrogen-bonded Turntrans-130.515.2171.4-68.898.9000113.7S302S302-W304 PolarHBondContact O-N 3.39Å
305D48Very low50.2Low141 Ų141134.1 Ų134.175%0.75476%0.759SS**  trans-12294.1-178-144-3.7000113.6
306L47.5Very low49.6Very low147 Ų147136.3 Ų136.377%0.7777%0.774SS**  trans38.1132.8144-66.9171.2000124.6
307S44.4Very low49.3Very low108 Ų108136.7 Ų136.776%0.75578%0.779SS**  trans95.3160.7140.6-54.30000119
308P50.7Low49Very low106 Ų106140.8 Ų140.869%0.68879%0.789SS**  -134.9178.1-58.438.9-22.4000112.5
309L47.1Very low48.6Very low157 Ų157145.2 Ų145.282%0.82281%0.805SS**  trans71.8122.9158.5-66.4158.2000119.5
310C52.2Low48.1Very low122 Ų122151.1 Ų151.182%0.82482%0.82SS**  155.8102.2128.4-88.30000110.9
311H49.4Very low48.5Very low260 Ų260155.5 Ų155.5100%1.20483%0.832SS**  -1690103.8-128.6-51000111.9

Retrieved 311 of 311 residues in 107.3 ms (Link to these results)