X6R2I3_HUMAN Loading...

DNA polymerase iota

AlphaFold DB , UniProt , Accession X6R2I3, Species HUMAN (Homo sapiens, Human), Gene POLI, Length 678 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1V33.9Very low32.1Very low201 Ų201143.6 Ų143.6100%1.21883%0.825SS**  0143.40-179.90000106.9D3V1-D3 PolarHBondContact O-N 2.94Å
2H27.6Very low34.3Very low171 Ų171138.4 Ų138.479%0.79280%0.803SS**  trans-79.2120.2-172.4-71.4-84.9000112.1Q4H2-Q4 PolarHBondContact O-N 2.95Å; H2-Q4 VanDerWaalsContact O-N 3.16Å
3D26.4Very low38.1Very low158 Ų158131.5 Ų131.585%0.84577%0.768SS**  trans-68102.9150.4-76.4-47.1000107.8V1 V5V1-D3 PolarHBondContact O-N 2.94Å; D3-V5 PolarHBondContact O-N 3.28Å; D3-V5 VanDerWaalsContact O-N 3.15Å
4Q28.6Very low42.1Very low174 Ų174127.4 Ų127.481%0.81373%0.733SS**  trans-73.8102.7168.5-70.8-172.2-2.700108.2H2 L6H2-Q4 PolarHBondContact O-N 2.95Å; H2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-L6 VanDerWaalsContact C-N 3.34Å; Q4-L6 PolarHBondContact O-N 2.82Å
5V28.7Very low45.6Very low135 Ų135122.2 Ų122.282%0.81870%0.704SS**  trans-60101.3164.5178.50000107.3D3D3-V5 PolarHBondContact O-N 3.28Å; D3-V5 VanDerWaalsContact O-N 3.15Å
6L28.7Very low48.8Very low150 Ų150115.6 Ų115.679%0.78567%0.665SS**PPolyproline II helixtrans-53.1125.3171.3-84.2162.5000108Q4 T8Q4-L6 VanDerWaalsContact C-N 3.34Å; Q4-L6 PolarHBondContact O-N 2.82Å; L6-T8 PolarHBondContact O-N 3.27Å
7P31.3Very low51.6Low106 Ų106111.5 Ų111.569%0.68864%0.642SS**PPolyproline II helixtrans-60.5131.4-18024.6-32.9000109
8T29.6Very low54.2Low116 Ų116107 Ų10771%0.71261%0.614SS**PPolyproline II helixtrans-55.4148170.741.50000109.6L6 N10L6-T8 PolarHBondContact O-N 3.27Å; T8-N10 PolarHBondContact O-N 3.31Å
9P34.3Very low56.4Low129 Ų129103.8 Ų103.884%0.83860%0.597SS**  trans-59.9106.9-17323-33.7000110.5A11P9-A11 PolarHBondContact O-N 3.38Å
10N38.5Very low58.4Low145 Ų145101.5 Ų101.578%0.77558%0.582SS**  trans-54.6137.1-178.4-88.5-37.8000110.3T8 S12T8-N10 PolarHBondContact O-N 3.31Å; N10-S12 PolarHBondContact O-N 3.15Å
11A45.2Very low60.3Low95 Ų9598 Ų9879%0.78556%0.562SS**  trans-50.8129.6-167.500000112.6P9 S13P9-A11 PolarHBondContact O-N 3.38Å; A11-S13 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact O-N 3.07Å
12S59.3Low63.2Low81 Ų8188.6 Ų88.657%0.56651%0.505SS*.  trans-36.6109.8-169.9-176.60000113.4N10 R14N10-S12 PolarHBondContact O-N 3.15Å; S12-R14 PolarHBondContact O-N 3.44Å; S12-R14 VanDerWaalsContact O-N 3.12Å
13S83Confident66.4Low49 Ų4980.8 Ų80.834%0.34347%0.469SS..  trans-60.8117.5176.5-450000108.7A11 R135A11-S13 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact O-N 3.07Å; S13-R135 VanDerWaalsContact O-CZ 3.28Å; S13-R135 PolarHBondContact O-NH1 3.21Å; S13-R135 PolarHBondContact O-NH2 3.04Å
14R93.8Very high69.8Low74 Ų7474.4 Ų74.428%0.27943%0.434SS..  trans-72.7162.9-177.8-64.2169.7-671630.4110.7S12 I16 S164 D252 S254S12-R14 PolarHBondContact O-N 3.44Å; S12-R14 VanDerWaalsContact O-N 3.12Å; R14-I16 HydrophobicContact CB-CD1 3.91Å; R14-I16 HydrophobicContact CB-CG1 4.16Å; R14-S164 WeakPolarHBondContact O-CA 3.4Å; R14-D252 PolarHBondContact NH2-O 3.49Å; R14-S254 PolarHBondContact NH1-O 3.16Å
15V95.4Very high73.1Confident49 Ų4967.4 Ų67.430%0.29740%0.4SS..  trans-118.4121.3163.2177.70000106.3R135 L136 V162V15-R135 HydrophobicContact CG2-CB 3.91Å; V15-R135 WeakPolarHBondContact CG2-O 3.45Å; V15-L136 HydrophobicContact CG1-CD2 4.46Å; V15-L136 HydrophobicContact CG2-CD2 4.48Å; V15-V162 HydrophobicContact CG1-CG1 3.95Å
16I96.5Very high76.5Confident17 Ų1761 Ų619%0.08736%0.361CS..EExtended strand (participates in β ladder)trans-123.1125.8-173.8-54.5-59.9000108.7R14 V162 A163 K166 A169 V256R14-I16 HydrophobicContact CB-CD1 3.91Å; R14-I16 HydrophobicContact CB-CG1 4.16Å; I16-V162 WeakPolarHBondContact O-CA 3.27Å; I16-A163 PolarHBondContact N-O 2.88Å; I16-A163 PolarHBondContact O-N 3.2Å; I16-K166 HydrophobicContact CG2-CB 4.46Å; I16-K166 HydrophobicContact CG2-CG 4.01Å; I16-A169 HydrophobicContact CB-CB 4.23Å; I16-A169 HydrophobicContact CG2-CB 3.93Å; I16-A169 WeakPolarHBondContact O-CB 3.3Å; I16-V256 HydrophobicContact CD1-CG2 3.65Å
17V96.9Very high79.8Confident46 Ų4654.4 Ų54.428%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-101.7128.6170.9-172.90000108.9V19 A143 A160 G161 V162V17-V19 HydrophobicContact CG1-CG2 4.21Å; V17-A143 HydrophobicContact CG1-CB 3.73Å; V17-A143 HydrophobicContact CG2-CB 4.32Å; V17-A160 HydrophobicContact CG1-CB 4.32Å; V17-G161 CarbonylContact C-O 3.59Å; V17-G161 WeakPolarHBondContact CA-O 3.49Å; V17-V162 HydrophobicContact CG1-CG2 4.46Å; V17-V162 HydrophobicContact CG2-CG2 4.2Å
18H97.8Very high82.9Confident30 Ų3049.6 Ų49.614%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-111.4121.7168.5174.4-88.1000109.5A160 G161 A169 K170 S173H18-A160 CarbonylContact O-C 3.55Å; H18-A160 VanDerWaalsContact O-CA 3.29Å; H18-A160 WeakPolarHBondContact O-CA 3.06Å; H18-G161 PolarHBondContact N-O 2.88Å; H18-G161 PolarHBondContact O-N 2.91Å; H18-A169 HydrophobicContact CB-CB 3.85Å; H18-K170 PolarHBondContact CE1-NZ 2.73Å; H18-K170 PolarHBondContact NE2-NZ 2.98Å; H18-S173 PolarHBondContact ND1-OG 3.22Å
19V96.3Very high86.2Confident47 Ų4744.5 Ų44.529%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-102.3135.3178177.50000109.8V17 L21 M150 C159V17-V19 HydrophobicContact CG1-CG2 4.21Å; V19-L21 HydrophobicContact CG1-CD2 4.48Å; V19-M150 HydrophobicContact CG1-CE 3.74Å; V19-M150 HydrophobicContact CG1-SD 4.2Å; V19-C159 WeakPolarHBondContact CA-O 3.22Å
20D96.6Very high89.3Confident57 Ų5739.8 Ų39.831%0.30523%0.231SC..EExtended strand (participates in β ladder)trans-135.7106.2179.6-171.522.3000110.7G158 C159 K177D20-G158 WeakPolarHBondContact O-CA 3.26Å; D20-C159 PolarHBondContact N-O 3.2Å; D20-C159 PolarHBondContact O-N 3.22Å; D20-K177 IonicContact OD2-NZ 3.02Å; D20-K177 PolarHBondContact OD2-NZ 3.28Å
21L97.3Very high92Very high29 Ų2936.1 Ų36.115%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-70.1137.3-172.1-64.6175.3000112.7V19 C23 F24 V95 M150 L156V19-L21 HydrophobicContact CG1-CD2 4.48Å; L21-C23 PolarHBondContact O-N 3.17Å; L21-F24 HydrophobicContact CB-CB 4.25Å; L21-F24 HydrophobicContact CB-CD2 4.03Å; L21-F24 HydrophobicContact CB-CG 4.41Å; L21-F24 HydrophobicContact CD1-CD2 3.52Å; L21-F24 HydrophobicContact CD1-CE2 3.59Å; L21-F24 HydrophobicContact CD1-CG 4.33Å; L21-F24 HydrophobicContact CD1-CZ 4.43Å; L21-F24 HydrophobicContact CG-CD2 4.44Å; L21-V95 HydrophobicContact CD1-CG1 4.44Å; L21-V95 HydrophobicContact CD1-CG2 4.15Å; L21-M150 HydrophobicContact CD2-CE 4.47Å; L21-M150 HydrophobicContact CD2-SD 3.96Å; L21-L156 HydrophobicContact CD1-CD1 4.35Å
22D94.9Very high94.5Very high3 Ų334.9 Ų34.92%0.01620%0.196CC..THydrogen-bonded Turntrans-75.4118.4-171.2-93.3-58.4000111.9F24 Q27 Y54 T157 G158 C159 N179D22-F24 PolarHBondContact O-N 2.71Å; D22-Q27 WeakPolarHBondContact O-CB 3.34Å; D22-Q27 PolarHBondContact O-NE2 3.36Å; D22-Q27 VanDerWaalsContact O-NE2 3.1Å; D22-Y54 HydrophobicContact CB-CE2 3.96Å; D22-Y54 WeakPolarHBondContact OD1-CE2 3.24Å; D22-Y54 PolarHBondContact OD1-OH 3.27Å; D22-T157 WeakPolarHBondContact CB-O 3.43Å; D22-T157 PolarHBondContact N-O 2.8Å; D22-G158 WeakPolarHBondContact OD2-CA 3.42Å; D22-C159 PolarHBondContact OD2-SG 2.85Å; D22-N179 WeakPolarHBondContact OD2-CA 3.43Å; D22-N179 PolarHBondContact OD2-N 3.24Å
23C95.7Very high96.3Very high7 Ų734.1 Ų34.15%0.04719%0.185CC..THydrogen-bonded Turntrans52.510.6-177.771.30000116.9L21 Y25 A26 T51 C52 Y54L21-C23 PolarHBondContact O-N 3.17Å; C23-Y25 PolarHBondContact O-N 2.81Å; C23-A26 HydrophobicContact CB-CB 4.24Å; C23-A26 PolarHBondContact O-N 3.32Å; C23-T51 WeakPolarHBondContact O-CG2 3.46Å; C23-T51 PolarHBondContact O-OG1 2.64Å; C23-C52 VanDerWaalsContact CB-O 3.24Å; C23-C52 WeakPolarHBondContact CB-O 3.12Å; C23-Y54 HydrophobicContact CB-CE2 4.35Å
24F97.9Very high96.9Very high23 Ų2336.2 Ų36.210%0.10120%0.197CC..THydrogen-bonded Turntrans3.8-77.7-165.6-168.5-131.1000118L21 D22 A26 Q27 V28 Y88 M91 S92 L156L21-F24 HydrophobicContact CB-CB 4.25Å; L21-F24 HydrophobicContact CB-CD2 4.03Å; L21-F24 HydrophobicContact CB-CG 4.41Å; L21-F24 HydrophobicContact CD1-CD2 3.52Å; L21-F24 HydrophobicContact CD1-CE2 3.59Å; L21-F24 HydrophobicContact CD1-CG 4.33Å; L21-F24 HydrophobicContact CD1-CZ 4.43Å; L21-F24 HydrophobicContact CG-CD2 4.44Å; D22-F24 PolarHBondContact O-N 2.71Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.16Å; F24-Q27 CarbonylContact O-C 3.47Å; F24-Q27 WeakPolarHBondContact O-CA 3.38Å; F24-Q27 VanDerWaalsContact O-CB 3.31Å; F24-Q27 WeakPolarHBondContact O-CB 3.07Å; F24-Q27 PolarHBondContact O-N 3.35Å; F24-V28 HydrophobicContact CD2-CG2 4.15Å; F24-V28 HydrophobicContact CE2-CG2 3.81Å; F24-V28 HydrophobicContact CZ-CG2 4.25Å; F24-V28 PolarHBondContact O-N 3.48Å; F24-Y88 WeakPolarHBondContact CZ-O 3.5Å; F24-M91 HydrophobicContact CE2-CB 4.34Å; F24-M91 HydrophobicContact CE2-CG 4.02Å; F24-M91 HydrophobicContact CZ-CB 4.12Å; F24-M91 HydrophobicContact CZ-CG 4.29Å; F24-S92 WeakPolarHBondContact CE1-OG 3.5Å; F24-L156 HydrophobicContact CE2-CD2 4.49Å
25Y98.4Very high97.1Very high27 Ų2739.2 Ų39.211%0.10622%0.215CC..Hα-helixtrans-55.6-43.1-176.6-61.2-7000112.1C23 Q27 V28 E29 V43 V50 T51 L85 Y88 F597C23-Y25 PolarHBondContact O-N 2.81Å; Y25-Q27 PolarHBondContact O-N 3.41Å; Y25-V28 PolarHBondContact O-N 2.91Å; Y25-E29 WeakPolarHBondContact O-CG 3.28Å; Y25-E29 PolarHBondContact O-N 3.28Å; Y25-V43 HydrophobicContact CD2-CG1 4.26Å; Y25-V50 HydrophobicContact CD2-CG2 4.07Å; Y25-V50 HydrophobicContact CE2-CG2 4.39Å; Y25-T51 HydrophobicContact CD2-CG2 4.46Å; Y25-T51 HydrophobicContact CG-CG2 4.34Å; Y25-L85 HydrophobicContact CE2-CD2 3.94Å; Y25-L85 WeakPolarHBondContact OH-CD2 3.32Å; Y25-Y88 AromaticContact CD1-CD1 3.81Å; Y25-Y88 HydrophobicContact CD1-CD1 3.81Å; Y25-Y88 AromaticContact CD1-CD2 3.47Å; Y25-Y88 HydrophobicContact CD1-CD2 3.47Å; Y25-Y88 VanDerWaalsContact CD1-CD2 3.47Å; Y25-Y88 HydrophobicContact CD1-CE1 4.3Å; Y25-Y88 AromaticContact CD1-CE2 3.99Å; Y25-Y88 HydrophobicContact CD1-CE2 3.99Å; Y25-Y88 AromaticContact CD1-CG 3.38Å; Y25-Y88 HydrophobicContact CD1-CG 3.38Å; Y25-Y88 AromaticContact CD2-CD2 3.8Å; Y25-Y88 HydrophobicContact CD2-CD2 3.8Å; Y25-Y88 AromaticContact CD2-CE2 3.6Å; Y25-Y88 HydrophobicContact CD2-CE2 3.6Å; Y25-Y88 HydrophobicContact CD2-CG 4.49Å; Y25-Y88 AromaticContact CE1-CD2 3.55Å; Y25-Y88 HydrophobicContact CE1-CD2 3.55Å; Y25-Y88 HydrophobicContact CE1-CE2 4.34Å; Y25-Y88 AromaticContact CE1-CG 3.66Å; Y25-Y88 HydrophobicContact CE1-CG 3.66Å; Y25-Y88 AromaticContact CE2-CD2 3.85Å; Y25-Y88 HydrophobicContact CE2-CD2 3.85Å; Y25-Y88 AromaticContact CE2-CE2 3.97Å; Y25-Y88 HydrophobicContact CE2-CE2 3.97Å; Y25-Y88 HydrophobicContact CG-CD1 4.06Å; Y25-Y88 AromaticContact CG-CD2 3.61Å; Y25-Y88 HydrophobicContact CG-CD2 3.61Å; Y25-Y88 HydrophobicContact CG-CE1 4.07Å; Y25-Y88 AromaticContact CG-CE2 3.61Å; Y25-Y88 HydrophobicContact CG-CE2 3.61Å; Y25-Y88 AromaticContact CG-CG 3.86Å; Y25-Y88 HydrophobicContact CG-CG 3.86Å; Y25-Y88 AromaticContact CG-CZ 3.86Å; Y25-Y88 AromaticContact CZ-CD2 3.73Å; Y25-F597 AromaticContact CE1-CE1 3.94Å; Y25-F597 HydrophobicContact CE1-CE1 3.94Å; Y25-F597 AromaticContact CE1-CZ 3.86Å; Y25-F597 HydrophobicContact CE1-CZ 3.86Å; Y25-F597 AromaticContact CZ-CE1 3.79Å; Y25-F597 AromaticContact CZ-CZ 3.82Å; Y25-F597 VanDerWaalsContact OH-CZ 3.24Å; Y25-F597 WeakPolarHBondContact OH-CZ 3.5Å
26A98.2Very high97.2Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-65.2-29.9177.300000112.1C23 F24 M30 L41 V43 T51 N53C23-A26 HydrophobicContact CB-CB 4.24Å; C23-A26 PolarHBondContact O-N 3.32Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.16Å; A26-M30 WeakPolarHBondContact O-CE 3.45Å; A26-M30 VanDerWaalsContact O-CG 3.24Å; A26-M30 WeakPolarHBondContact O-CG 3.46Å; A26-M30 PolarHBondContact O-N 3.14Å; A26-L41 HydrophobicContact CB-CD2 4.15Å; A26-V43 HydrophobicContact CB-CG2 3.99Å; A26-T51 HydrophobicContact CB-CG2 4.4Å; A26-N53 HydrophobicContact CB-CB 4.28Å
27Q98.1Very high97.1Very high13 Ų1343 Ų436%0.06123%0.227CC..Hα-helixtrans-72.8-40.4174.4-169.5172.893.600111.8D22 F24 Y25 E29 M30 I31 L156 T157D22-Q27 WeakPolarHBondContact O-CB 3.34Å; D22-Q27 PolarHBondContact O-NE2 3.36Å; D22-Q27 VanDerWaalsContact O-NE2 3.1Å; F24-Q27 CarbonylContact O-C 3.47Å; F24-Q27 WeakPolarHBondContact O-CA 3.38Å; F24-Q27 VanDerWaalsContact O-CB 3.31Å; F24-Q27 WeakPolarHBondContact O-CB 3.07Å; F24-Q27 PolarHBondContact O-N 3.35Å; Y25-Q27 PolarHBondContact O-N 3.41Å; Q27-E29 VanDerWaalsContact C-N 3.29Å; Q27-E29 PolarHBondContact O-N 2.79Å; Q27-M30 HydrophobicContact CB-CE 4.31Å; Q27-M30 PolarHBondContact O-N 2.93Å; Q27-I31 HydrophobicContact CG-CD1 4.15Å; Q27-I31 WeakPolarHBondContact O-CD1 3.32Å; Q27-I31 VanDerWaalsContact O-CG1 3.27Å; Q27-I31 WeakPolarHBondContact O-CG1 3.5Å; Q27-I31 PolarHBondContact O-N 3.29Å; Q27-L156 HydrophobicContact CG-CD2 4.23Å; Q27-L156 VanDerWaalsContact OE1-CA 3.3Å; Q27-L156 VanDerWaalsContact OE1-CD2 3.24Å; Q27-T157 PolarHBondContact NE2-O 3.46Å; Q27-T157 PolarHBondContact NE2-OG1 2.92Å; Q27-T157 PolarHBondContact OE1-O 3.1Å
28V98.3Very high97Very high4 Ų447.2 Ų47.22%0.02425%0.248CC..Hα-helixtrans-62.2-36.9172.1178.20000111.2F24 Y25 I31 S32 R87 Y88 M91F24-V28 HydrophobicContact CD2-CG2 4.15Å; F24-V28 HydrophobicContact CE2-CG2 3.81Å; F24-V28 HydrophobicContact CZ-CG2 4.25Å; F24-V28 PolarHBondContact O-N 3.48Å; Y25-V28 PolarHBondContact O-N 2.91Å; V28-I31 PolarHBondContact O-N 3.42Å; V28-S32 WeakPolarHBondContact O-CB 3.37Å; V28-S32 PolarHBondContact O-N 2.85Å; V28-S32 PolarHBondContact O-OG 2.63Å; V28-R87 HydrophobicContact CG1-CB 4.38Å; V28-Y88 HydrophobicContact CB-CD1 3.83Å; V28-Y88 HydrophobicContact CB-CE1 4.09Å; V28-Y88 HydrophobicContact CG1-CD1 3.83Å; V28-Y88 HydrophobicContact CG1-CE1 4.15Å; V28-Y88 HydrophobicContact CG2-CD1 4.22Å; V28-M91 HydrophobicContact CG2-CB 4.23Å; V28-M91 HydrophobicContact CG2-CG 4.06Å
29E98.3Very high97Very high9 Ų949.6 Ų49.64%0.04226%0.258CS..Hα-helixtrans-67.3-42.2171.7-61.7-45.5153.300113.2Y25 Q27 I31 S32 N33 L36 L41 V43 V80 R87 Y88Y25-E29 WeakPolarHBondContact O-CG 3.28Å; Y25-E29 PolarHBondContact O-N 3.28Å; Q27-E29 VanDerWaalsContact C-N 3.29Å; Q27-E29 PolarHBondContact O-N 2.79Å; E29-I31 VanDerWaalsContact C-N 3.27Å; E29-I31 PolarHBondContact O-N 3.09Å; E29-S32 CarbonylContact O-C 3.6Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-S32 VanDerWaalsContact O-N 3.16Å; E29-N33 PolarHBondContact O-N 3.08Å; E29-L36 HydrophobicContact CB-CD1 4.39Å; E29-L41 HydrophobicContact CB-CD2 3.98Å; E29-V43 HydrophobicContact CG-CG2 3.99Å; E29-V80 HydrophobicContact CG-CB 4.21Å; E29-V80 HydrophobicContact CG-CG1 3.83Å; E29-R87 IonicContact OE1-CZ 3.34Å; E29-R87 IonicContact OE1-NH1 2.73Å; E29-R87 PolarHBondContact OE1-NH1 3.42Å; E29-R87 IonicContact OE1-NH2 3.43Å; E29-R87 PolarHBondContact OE1-NH2 2.97Å; E29-R87 IonicContact OE2-CZ 2.96Å; E29-R87 IonicContact OE2-NH1 2.64Å; E29-R87 PolarHBondContact OE2-NH1 3.29Å; E29-R87 IonicContact OE2-NH2 3.11Å; E29-R87 PolarHBondContact OE2-NH2 3.01Å; E29-Y88 WeakPolarHBondContact OE1-CE1 3.08Å; E29-Y88 VanDerWaalsContact OE1-CZ 3.25Å; E29-Y88 PolarHBondContact OE1-OH 3.03Å
30M98.1Very high97.1Very high31 Ų3148.3 Ų48.315%0.15325%0.251CS..Hα-helixtrans-67.5-25.9176.5-68.9178.8-54.900113A26 Q27 N33 P34 L36 L41 N53A26-M30 WeakPolarHBondContact O-CE 3.45Å; A26-M30 VanDerWaalsContact O-CG 3.24Å; A26-M30 WeakPolarHBondContact O-CG 3.46Å; A26-M30 PolarHBondContact O-N 3.14Å; Q27-M30 HydrophobicContact CB-CE 4.31Å; Q27-M30 PolarHBondContact O-N 2.93Å; M30-N33 CarbonylContact O-C 3.5Å; M30-P34 WeakPolarHBondContact O-CA 3.26Å; M30-L36 HydrophobicContact CG-CB 4.05Å; M30-L41 HydrophobicContact CG-CD2 3.74Å; M30-L41 HydrophobicContact SD-CD2 4.45Å; M30-N53 HydrophobicContact CE-CB 3.83Å; M30-N53 HydrophobicContact SD-CB 3.81Å; M30-N53 PolarHBondContact SD-ND2 3.15Å; M30-N53 VanDerWaalsContact SD-ND2 3.37Å
31I96.8Very high97.2Very high68 Ų6845.6 Ų45.635%0.34924%0.236SC..Hα-helixtrans-76.1-39.3170.1-67.6161000110.6Q27 V28 E29 L156Q27-I31 HydrophobicContact CG-CD1 4.15Å; Q27-I31 WeakPolarHBondContact O-CD1 3.32Å; Q27-I31 VanDerWaalsContact O-CG1 3.27Å; Q27-I31 WeakPolarHBondContact O-CG1 3.5Å; Q27-I31 PolarHBondContact O-N 3.29Å; V28-I31 PolarHBondContact O-N 3.42Å; E29-I31 VanDerWaalsContact C-N 3.27Å; E29-I31 PolarHBondContact O-N 3.09Å; I31-L156 HydrophobicContact CD1-CD2 3.72Å; I31-L156 HydrophobicContact CD1-CG 4.35Å
32S96.4Very high97.3Very high68 Ų6844.2 Ų44.248%0.47623%0.229SC..Hα-helixtrans-69.9-33.2177.9-56.30000112.7V28 E29 R87V28-S32 WeakPolarHBondContact O-CB 3.37Å; V28-S32 PolarHBondContact O-N 2.85Å; V28-S32 PolarHBondContact O-OG 2.63Å; E29-S32 CarbonylContact O-C 3.6Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-S32 VanDerWaalsContact O-N 3.16Å; S32-R87 PolarHBondContact OG-NH1 2.69Å; S32-R87 VanDerWaalsContact OG-NH1 3.15Å
33N97.2Very high97.4Very high66 Ų6644.1 Ų44.135%0.35323%0.228SC..  trans-137.696.4175.7-178.5-9.1000109.9E29 M30 E35 L36E29-N33 PolarHBondContact O-N 3.08Å; M30-N33 CarbonylContact O-C 3.5Å; N33-E35 PolarHBondContact O-N 2.99Å; N33-E35 VanDerWaalsContact O-N 3.11Å; N33-E35 WeakPolarHBondContact OD1-CB 3.45Å; N33-E35 PolarHBondContact OD1-N 3.42Å; N33-E35 VanDerWaalsContact OD1-N 3.08Å; N33-L36 HydrophobicContact CB-CD1 3.99Å; N33-L36 HydrophobicContact CB-CG 4.11Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 2.99Å
34P96.8Very high97.6Very high92 Ų9246 Ų4660%0.59724%0.237SC*.G310 helixtrans-57-24.6-179.8-29.137.2000115.1M30 L36 K37M30-P34 WeakPolarHBondContact O-CA 3.26Å; P34-L36 PolarHBondContact O-N 3.47Å; P34-L36 VanDerWaalsContact O-N 3.08Å; P34-K37 VanDerWaalsContact O-CB 3.26Å; P34-K37 WeakPolarHBondContact O-CB 3.44Å; P34-K37 PolarHBondContact O-N 3.08Å; P34-K37 VanDerWaalsContact O-N 3.11Å
35E97.3Very high97.5Very high138 Ų13847.6 Ų47.665%0.64524%0.244SC*.G310 helixtrans-64-14.3176.9-62.4-168.5-161.700113.8N33 K39N33-E35 PolarHBondContact O-N 2.99Å; N33-E35 VanDerWaalsContact O-N 3.11Å; N33-E35 WeakPolarHBondContact OD1-CB 3.45Å; N33-E35 PolarHBondContact OD1-N 3.42Å; N33-E35 VanDerWaalsContact OD1-N 3.08Å; E35-K39 WeakPolarHBondContact O-CD 3.48Å; E35-K39 WeakPolarHBondContact O-CE 3.44Å; E35-K39 PolarHBondContact O-NZ 3.31Å; E35-K39 IonicContact OE2-NZ 2.69Å; E35-K39 PolarHBondContact OE2-NZ 2.86Å
36L97.2Very high97.3Very high13 Ų1349.9 Ų49.97%0.06826%0.255CS..G310 helixtrans-86.7-11.8178.6-58.2-179.8000113.1E29 M30 N33 P34 D38 K39 L41 V78 V80E29-L36 HydrophobicContact CB-CD1 4.39Å; M30-L36 HydrophobicContact CG-CB 4.05Å; N33-L36 HydrophobicContact CB-CD1 3.99Å; N33-L36 HydrophobicContact CB-CG 4.11Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 2.99Å; P34-L36 PolarHBondContact O-N 3.47Å; P34-L36 VanDerWaalsContact O-N 3.08Å; L36-D38 PolarHBondContact O-N 3.4Å; L36-K39 PolarHBondContact O-N 2.96Å; L36-L41 HydrophobicContact CB-CD2 4.19Å; L36-L41 HydrophobicContact CD1-CD1 4.19Å; L36-L41 HydrophobicContact CD1-CD2 4.2Å; L36-V78 HydrophobicContact CD2-CG1 3.85Å; L36-V80 HydrophobicContact CD1-CG2 3.89Å
37K94.2Very high97.1Very high132 Ų13256 Ų5657%0.57428%0.279SS*.THydrogen-bonded Turntrans-55.3-49.8-170.9-174.5-176.1177.6-174.60113P34P34-K37 VanDerWaalsContact O-CB 3.26Å; P34-K37 WeakPolarHBondContact O-CB 3.44Å; P34-K37 PolarHBondContact O-N 3.08Å; P34-K37 VanDerWaalsContact O-N 3.11Å
38D95.5Very high97Very high134 Ų13459 Ų5972%0.71730%0.295SS*.THydrogen-bonded Turntrans-1019.9-173.8-48.4-59000112.5L36L36-D38 PolarHBondContact O-N 3.4Å
39K97.8Very high97Very high81 Ų8158.8 Ų58.835%0.35229%0.293SS..SBendtrans-102.1146.3175.5-62.8176.1-171.6149.90109.5E35 L36 L41 N53 V78E35-K39 WeakPolarHBondContact O-CD 3.48Å; E35-K39 WeakPolarHBondContact O-CE 3.44Å; E35-K39 PolarHBondContact O-NZ 3.31Å; E35-K39 IonicContact OE2-NZ 2.69Å; E35-K39 PolarHBondContact OE2-NZ 2.86Å; L36-K39 PolarHBondContact O-N 2.96Å; K39-L41 PolarHBondContact O-N 3.18Å; K39-L41 VanDerWaalsContact O-N 3.17Å; K39-N53 PolarHBondContact O-ND2 3.1Å; K39-V78 HydrophobicContact CB-CG2 4.25Å; K39-V78 HydrophobicContact CD-CG2 4.37Å
40P98.5Very high97Very high20 Ų2059.4 Ų59.413%0.1330%0.298CS..  trans-65.8118.2171.726.2-31.4000109.6A56 L59 Q76 L77 V78P40-A56 HydrophobicContact CB-CB 3.98Å; P40-L59 HydrophobicContact CB-CD1 4.09Å; P40-L59 HydrophobicContact CG-CD1 4.22Å; P40-Q76 HydrophobicContact CG-CG 3.85Å; P40-L77 HydrophobicContact CB-CD1 4.38Å; P40-V78 PolarHBondContact O-N 3.15Å
41L98.8Very high97Very high0 Ų058.5 Ų58.50%029%0.294CS..EExtended strand (participates in β ladder)trans-121.5130.6-172.9175.766.3000111.7A26 E29 M30 L36 K39 C52 N53 V78 V80A26-L41 HydrophobicContact CB-CD2 4.15Å; E29-L41 HydrophobicContact CB-CD2 3.98Å; M30-L41 HydrophobicContact CG-CD2 3.74Å; M30-L41 HydrophobicContact SD-CD2 4.45Å; L36-L41 HydrophobicContact CB-CD2 4.19Å; L36-L41 HydrophobicContact CD1-CD1 4.19Å; L36-L41 HydrophobicContact CD1-CD2 4.2Å; K39-L41 PolarHBondContact O-N 3.18Å; K39-L41 VanDerWaalsContact O-N 3.17Å; L41-C52 CarbonylContact O-C 3.6Å; L41-C52 WeakPolarHBondContact O-CA 3.37Å; L41-C52 WeakPolarHBondContact O-CB 3.22Å; L41-N53 HydrophobicContact CB-CB 4.34Å; L41-N53 PolarHBondContact N-OD1 2.95Å; L41-N53 PolarHBondContact O-N 3.41Å; L41-N53 PolarHBondContact O-OD1 2.84Å; L41-V78 WeakPolarHBondContact CA-O 3.35Å; L41-V78 HydrophobicContact CD1-CB 4.25Å; L41-V78 HydrophobicContact CD1-CG1 4.24Å; L41-V80 HydrophobicContact CD1-CB 4.34Å; L41-V80 HydrophobicContact CD1-CG2 3.75Å
42G98.6Very high97.1Very high0 Ų055.3 Ų55.30%028%0.278CS..EExtended strand (participates in β ladder)trans-114.1140.5164.800000111.6V78 L79 V80G42-V78 PolarHBondContact N-O 3.44Å; G42-L79 WeakPolarHBondContact O-CA 3.34Å; G42-V80 PolarHBondContact O-N 3.4Å; G42-V80 VanDerWaalsContact O-N 3.08Å
43V98.6Very high97.2Very high0 Ų052.2 Ų52.20%026%0.256CS..EExtended strand (participates in β ladder)trans-94.4124167.2178.20000108.3Y25 A26 E29 V49 V50 T51 V80Y25-V43 HydrophobicContact CD2-CG1 4.26Å; A26-V43 HydrophobicContact CB-CG2 3.99Å; E29-V43 HydrophobicContact CG-CG2 3.99Å; V43-V49 CarbonylContact O-C 3.37Å; V43-V49 WeakPolarHBondContact O-CA 3.41Å; V43-V50 HydrophobicContact CB-CG2 4.34Å; V43-V50 HydrophobicContact CG1-CG2 4.1Å; V43-V50 WeakPolarHBondContact O-CG2 3.39Å; V43-V50 PolarHBondContact O-N 3.31Å; V43-T51 HydrophobicContact CB-CG2 4.25Å; V43-T51 HydrophobicContact CG2-CG2 4.41Å; V43-T51 PolarHBondContact N-O 3.25Å; V43-V80 WeakPolarHBondContact CA-O 3.36Å
44Q98.1Very high97.2Very high48 Ų4851.5 Ų51.522%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-102.2136.4-174.7178.8175.5-13.300111.4K46 L48 V67 V80 G82Q44-K46 PolarHBondContact NE2-O 3.16Å; Q44-L48 WeakPolarHBondContact CA-O 3.22Å; Q44-V67 HydrophobicContact CG-CG2 3.82Å; Q44-V80 PolarHBondContact N-O 3.48Å; Q44-G82 PolarHBondContact O-N 3.48Å
45Q96.1Very high97.2Very high56 Ų5650.3 Ų50.326%0.26224%0.235SC..EExtended strand (participates in β ladder)trans-127.8120.5162.2-66.1-176.7-16.800108.8Y47 L48 V50 G82 E83Q45-Y47 PolarHBondContact O-N 3.5Å; Q45-L48 PolarHBondContact N-O 3Å; Q45-L48 PolarHBondContact O-N 2.86Å; Q45-V50 HydrophobicContact CB-CG1 3.85Å; Q45-V50 HydrophobicContact CG-CG1 3.93Å; Q45-V50 HydrophobicContact CG-CG2 4.09Å; Q45-G82 WeakPolarHBondContact CG-O 3.15Å; Q45-G82 PolarHBondContact NE2-O 3.2Å; Q45-E83 HydrophobicContact CB-CG 4.04Å; Q45-E83 HydrophobicContact CG-CG 4.04Å
46K93.8Very high97.3Very high75 Ų7543.8 Ų43.833%0.32620%0.204SC..THydrogen-bonded Turntrans50.7-95.8-172.6-48.6-61.7-180-168.90112.1Q44 E83 D269 S270Q44-K46 PolarHBondContact NE2-O 3.16Å; K46-E83 WeakPolarHBondContact CD-OE2 3.49Å; K46-E83 WeakPolarHBondContact CE-OE2 3.23Å; K46-E83 PolarHBondContact N-OE1 2.81Å; K46-E83 IonicContact NZ-OE2 2.73Å; K46-E83 PolarHBondContact NZ-OE2 2.83Å; K46-D269 WeakPolarHBondContact CE-OD1 3.39Å; K46-D269 IonicContact NZ-OD1 2.72Å; K46-D269 PolarHBondContact NZ-OD1 3.18Å; K46-S270 WeakPolarHBondContact CD-O 3.27Å; K46-S270 WeakPolarHBondContact CE-O 3.47Å
47Y94.6Very high97.3Very high128 Ų12846.3 Ų46.350%0.50221%0.213SC..THydrogen-bonded Turntrans-119.68.7-177-55.8-68.8000114Q45 V67 K272Q45-Y47 PolarHBondContact O-N 3.5Å; Y47-V67 WeakPolarHBondContact O-CG2 3.4Å; Y47-V67 PolarHBondContact O-N 3.22Å; Y47-K272 HydrophobicContact CE2-CD 4.4Å; Y47-K272 HydrophobicContact CE2-CG 4.29Å; Y47-K272 VanDerWaalsContact OH-CE 3.22Å; Y47-K272 WeakPolarHBondContact OH-CE 3.31Å; Y47-K272 PolarHBondContact OH-NZ 3.47Å; Y47-K272 VanDerWaalsContact OH-NZ 3.15Å
48L97.1Very high97.5Very high75 Ų7547 Ų4739%0.39322%0.216SC..EExtended strand (participates in β ladder)trans-118.6140.4-177.1-62.3177.1000111.8Q44 Q45 V50 M65Q44-L48 WeakPolarHBondContact CA-O 3.22Å; Q45-L48 PolarHBondContact N-O 3Å; Q45-L48 PolarHBondContact O-N 2.86Å; L48-V50 HydrophobicContact CB-CG1 4.43Å; L48-V50 PolarHBondContact O-N 2.94Å; L48-M65 WeakPolarHBondContact CA-O 3.31Å
49V98.1Very high97.6Very high0 Ų044.2 Ų44.20%020%0.201CC..EExtended strand (participates in β ladder)trans-8594.9165.9-178.40000107.8V43 T51 C52 V61 L64 M65 V67 A70 L79V43-V49 CarbonylContact O-C 3.37Å; V43-V49 WeakPolarHBondContact O-CA 3.41Å; V49-T51 PolarHBondContact O-N 3.2Å; V49-C52 HydrophobicContact CG1-CB 4.3Å; V49-V61 HydrophobicContact CG1-CG1 4.37Å; V49-L64 WeakPolarHBondContact O-CA 3.28Å; V49-L64 PolarHBondContact O-N 2.72Å; V49-M65 PolarHBondContact N-O 2.77Å; V49-V67 HydrophobicContact CG2-CG2 4.02Å; V49-A70 HydrophobicContact CG2-CB 3.74Å; V49-L79 HydrophobicContact CG2-CD2 3.97Å
50V97.5Very high97.6Very high23 Ų2341.9 Ų41.914%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-70-33.9-170.8-64.40000112.5Y25 V43 Q45 L48Y25-V50 HydrophobicContact CD2-CG2 4.07Å; Y25-V50 HydrophobicContact CE2-CG2 4.39Å; V43-V50 HydrophobicContact CB-CG2 4.34Å; V43-V50 HydrophobicContact CG1-CG2 4.1Å; V43-V50 WeakPolarHBondContact O-CG2 3.39Å; V43-V50 PolarHBondContact O-N 3.31Å; Q45-V50 HydrophobicContact CB-CG1 3.85Å; Q45-V50 HydrophobicContact CG-CG1 3.93Å; Q45-V50 HydrophobicContact CG-CG2 4.09Å; L48-V50 HydrophobicContact CB-CG1 4.43Å; L48-V50 PolarHBondContact O-N 2.94Å
51T98.2Very high97.5Very high12 Ų1241 Ų417%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-151.9160.3167.5-173.80000110C23 Y25 A26 V43 V49C23-T51 WeakPolarHBondContact O-CG2 3.46Å; C23-T51 PolarHBondContact O-OG1 2.64Å; Y25-T51 HydrophobicContact CD2-CG2 4.46Å; Y25-T51 HydrophobicContact CG-CG2 4.34Å; A26-T51 HydrophobicContact CB-CG2 4.4Å; V43-T51 HydrophobicContact CB-CG2 4.25Å; V43-T51 HydrophobicContact CG2-CG2 4.41Å; V43-T51 PolarHBondContact N-O 3.25Å; V49-T51 PolarHBondContact O-N 3.2Å
52C98.4Very high97.4Very high0 Ų047.9 Ų47.90%022%0.224CC..EExtended strand (participates in β ladder)trans-137.3152.5177.956.30000110.5C23 L41 V49 A56 R57 V61C23-C52 VanDerWaalsContact CB-O 3.24Å; C23-C52 WeakPolarHBondContact CB-O 3.12Å; L41-C52 CarbonylContact O-C 3.6Å; L41-C52 WeakPolarHBondContact O-CA 3.37Å; L41-C52 WeakPolarHBondContact O-CB 3.22Å; V49-C52 HydrophobicContact CG1-CB 4.3Å; C52-A56 HydrophobicContact CB-CB 3.86Å; C52-R57 PolarHBondContact O-NE 2.76Å; C52-R57 PolarHBondContact O-NH2 3.3Å; C52-R57 WeakPolarHBondContact SG-CG 3.36Å; C52-V61 HydrophobicContact CB-CG1 4.25Å; C52-V61 PolarHBondContact SG-O 3.05Å
53N98.4Very high97.2Very high3 Ų352.7 Ų52.72%0.01625%0.245CC..  trans-69.7170.8173.177.5-9000111.2A26 M30 K39 L41 E55 A56 R57A26-N53 HydrophobicContact CB-CB 4.28Å; M30-N53 HydrophobicContact CE-CB 3.83Å; M30-N53 HydrophobicContact SD-CB 3.81Å; M30-N53 PolarHBondContact SD-ND2 3.15Å; M30-N53 VanDerWaalsContact SD-ND2 3.37Å; K39-N53 PolarHBondContact O-ND2 3.1Å; L41-N53 HydrophobicContact CB-CB 4.34Å; L41-N53 PolarHBondContact N-OD1 2.95Å; L41-N53 PolarHBondContact O-N 3.41Å; L41-N53 PolarHBondContact O-OD1 2.84Å; N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.36Å; N53-A56 PolarHBondContact O-N 3.18Å; N53-A56 WeakPolarHBondContact OD1-CB 3.34Å; N53-A56 PolarHBondContact OD1-N 3.32Å; N53-R57 WeakPolarHBondContact O-CG 3.42Å; N53-R57 PolarHBondContact O-N 2.84Å
54Y97.3Very high97.1Very high52 Ų5256.6 Ų56.620%0.20427%0.265CS..Hα-helixtrans-69.4-28.9-174.3-78.3-87.2000113.3D22 C23 R57 K58 P178D22-Y54 HydrophobicContact CB-CE2 3.96Å; D22-Y54 WeakPolarHBondContact OD1-CE2 3.24Å; D22-Y54 PolarHBondContact OD1-OH 3.27Å; C23-Y54 HydrophobicContact CB-CE2 4.35Å; Y54-R57 WeakPolarHBondContact O-CB 3.39Å; Y54-R57 PolarHBondContact O-N 3.44Å; Y54-R57 VanDerWaalsContact O-N 3.11Å; Y54-R57 PolarHBondContact OH-NH1 3.23Å; Y54-K58 WeakPolarHBondContact O-CG 3.3Å; Y54-K58 PolarHBondContact O-N 3.04Å; Y54-P178 HydrophobicContact CD1-CB 4.38Å; Y54-P178 HydrophobicContact CD1-CG 4.36Å; Y54-P178 HydrophobicContact CD2-CB 4.09Å; Y54-P178 HydrophobicContact CE1-CB 4.04Å; Y54-P178 HydrophobicContact CE1-CG 4.4Å; Y54-P178 HydrophobicContact CE2-CB 3.73Å; Y54-P178 HydrophobicContact CG-CB 4.4Å; Y54-P178 HydrophobicContact CG-CG 4.43Å
55E97.9Very high97Very high67 Ų6755.4 Ų55.431%0.31326%0.26SS..Hα-helixtrans-63.5-44.1174.3-55.7-44.5116.200112N53 R57 K58 L59N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.36Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 2.69Å; E55-K58 PolarHBondContact O-N 3.01Å; E55-K58 VanDerWaalsContact OE1-CE 3.29Å; E55-K58 WeakPolarHBondContact OE1-CE 3.49Å; E55-K58 IonicContact OE1-NZ 2.75Å; E55-K58 PolarHBondContact OE1-NZ 2.91Å; E55-K58 WeakPolarHBondContact OE2-CD 3.49Å; E55-K58 WeakPolarHBondContact OE2-CE 3.46Å; E55-K58 IonicContact OE2-NZ 3.73Å; E55-K58 PolarHBondContact OE2-NZ 2.83Å; E55-L59 PolarHBondContact O-N 3.48Å
56A98.3Very high97Very high0 Ų055.8 Ų55.80%026%0.263CS..Hα-helixtrans-63.8-31.517200000113P40 C52 N53 L59 V61 L77P40-A56 HydrophobicContact CB-CB 3.98Å; C52-A56 HydrophobicContact CB-CB 3.86Å; N53-A56 PolarHBondContact O-N 3.18Å; N53-A56 WeakPolarHBondContact OD1-CB 3.34Å; N53-A56 PolarHBondContact OD1-N 3.32Å; A56-L59 CarbonylContact O-C 3.45Å; A56-L59 PolarHBondContact O-N 2.83Å; A56-V61 HydrophobicContact CB-CB 4.23Å; A56-V61 HydrophobicContact CB-CG2 4.44Å; A56-V61 VanDerWaalsContact O-CB 3.29Å; A56-V61 WeakPolarHBondContact O-CB 3.07Å; A56-V61 WeakPolarHBondContact O-CG2 3.37Å; A56-V61 PolarHBondContact O-N 2.82Å; A56-V61 VanDerWaalsContact O-N 3.12Å; A56-L77 HydrophobicContact CB-CD1 3.73Å
57R97.7Very high97.2Very high66 Ų6653.5 Ų53.525%0.24926%0.256CS..Hα-helixtrans-71.3-36.2176.5-67.3-179.9-158.1172.514.8113.5C52 N53 Y54 E55 L59 G60C52-R57 PolarHBondContact O-NE 2.76Å; C52-R57 PolarHBondContact O-NH2 3.3Å; C52-R57 WeakPolarHBondContact SG-CG 3.36Å; N53-R57 WeakPolarHBondContact O-CG 3.42Å; N53-R57 PolarHBondContact O-N 2.84Å; Y54-R57 WeakPolarHBondContact O-CB 3.39Å; Y54-R57 PolarHBondContact O-N 3.44Å; Y54-R57 VanDerWaalsContact O-N 3.11Å; Y54-R57 PolarHBondContact OH-NH1 3.23Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 2.69Å; R57-L59 PolarHBondContact O-N 3.33Å; R57-G60 PolarHBondContact O-N 3.16Å
58K97.4Very high97.4Very high148 Ų14856.6 Ų56.664%0.64327%0.267SS*.Hα-helixtrans-56-36.2171.6-66.6172.1-166.4171.60110.6Y54 E55 G60Y54-K58 WeakPolarHBondContact O-CG 3.3Å; Y54-K58 PolarHBondContact O-N 3.04Å; E55-K58 PolarHBondContact O-N 3.01Å; E55-K58 VanDerWaalsContact OE1-CE 3.29Å; E55-K58 WeakPolarHBondContact OE1-CE 3.49Å; E55-K58 IonicContact OE1-NZ 2.75Å; E55-K58 PolarHBondContact OE1-NZ 2.91Å; E55-K58 WeakPolarHBondContact OE2-CD 3.49Å; E55-K58 WeakPolarHBondContact OE2-CE 3.46Å; E55-K58 IonicContact OE2-NZ 3.73Å; E55-K58 PolarHBondContact OE2-NZ 2.83Å; K58-G60 VanDerWaalsContact C-N 3.25Å; K58-G60 PolarHBondContact O-N 2.97Å
59L97.9Very high97.4Very high75 Ų7555.4 Ų55.439%0.39326%0.261SS..THydrogen-bonded Turntrans-86.120.6176.6-55.6174.9000113.7P40 E55 A56 R57 V61 C74P40-L59 HydrophobicContact CB-CD1 4.09Å; P40-L59 HydrophobicContact CG-CD1 4.22Å; E55-L59 PolarHBondContact O-N 3.48Å; A56-L59 CarbonylContact O-C 3.45Å; A56-L59 PolarHBondContact O-N 2.83Å; R57-L59 PolarHBondContact O-N 3.33Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 3.2Å; L59-C74 HydrophobicContact CB-CB 4.28Å; L59-C74 HydrophobicContact CD1-CB 4.49Å; L59-C74 VanDerWaalsContact CD1-SG 3.5Å
60G97.4Very high97.4Very high31 Ų3155.4 Ų55.432%0.3226%0.261SS..THydrogen-bonded Turntrans75.43.3171.500000116.5R57 K58 K62R57-G60 PolarHBondContact O-N 3.16Å; K58-G60 VanDerWaalsContact C-N 3.25Å; K58-G60 PolarHBondContact O-N 2.97Å; G60-K62 PolarHBondContact O-N 3.46Å
61V98.2Very high97.4Very high1 Ų158.2 Ų58.21%0.00627%0.271CS..  trans-72.4121.4172.8-174.80000109V49 C52 A56 L59 M65 A70 C74 L77V49-V61 HydrophobicContact CG1-CG1 4.37Å; C52-V61 HydrophobicContact CB-CG1 4.25Å; C52-V61 PolarHBondContact SG-O 3.05Å; A56-V61 HydrophobicContact CB-CB 4.23Å; A56-V61 HydrophobicContact CB-CG2 4.44Å; A56-V61 VanDerWaalsContact O-CB 3.29Å; A56-V61 WeakPolarHBondContact O-CB 3.07Å; A56-V61 WeakPolarHBondContact O-CG2 3.37Å; A56-V61 PolarHBondContact O-N 2.82Å; A56-V61 VanDerWaalsContact O-N 3.12Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 3.2Å; V61-M65 HydrophobicContact CG1-SD 4.39Å; V61-A70 HydrophobicContact CG1-CB 3.88Å; V61-C74 HydrophobicContact CG2-CB 3.75Å; V61-L77 HydrophobicContact CG1-CD2 4.28Å; V61-L77 HydrophobicContact CG2-CD1 4.47Å; V61-L77 HydrophobicContact CG2-CD2 4.28Å
62K95.8Very high97.4Very high146 Ų14664.9 Ų64.964%0.63530%0.301SS*.  trans-105.3159.2-179.6-55.9-173178.7-175.80111.2G60 M65G60-K62 PolarHBondContact O-N 3.46Å; K62-M65 HydrophobicContact CB-CE 3.9Å; K62-M65 HydrophobicContact CG-CE 4.02Å; K62-M65 VanDerWaalsContact O-CB 3.23Å; K62-M65 WeakPolarHBondContact O-CB 3.35Å; K62-M65 PolarHBondContact O-N 2.97Å
63K94.9Very high97.4Very high101 Ų10170.2 Ų70.244%0.43933%0.325SS..THydrogen-bonded Turntrans-58.4147169.5-61-174.2177.6-179.30110.2M65K63-M65 PolarHBondContact O-N 3.39Å
64L94.9Very high97.4Very high81 Ų8170.1 Ų70.142%0.42432%0.324SS..THydrogen-bonded Turntrans61.417.5179.4-49.1179.9000115V49V49-L64 WeakPolarHBondContact O-CA 3.28Å; V49-L64 PolarHBondContact O-N 2.72Å
65M96.4Very high97.5Very high23 Ų2371.9 Ų71.911%0.11334%0.342CS..EExtended strand (participates in β ladder)trans-73.7150.9174.9-173.5167.8-78.500111.1L48 V49 V61 K62 K63 D69 A70 K73L48-M65 WeakPolarHBondContact CA-O 3.31Å; V49-M65 PolarHBondContact N-O 2.77Å; V61-M65 HydrophobicContact CG1-SD 4.39Å; K62-M65 HydrophobicContact CB-CE 3.9Å; K62-M65 HydrophobicContact CG-CE 4.02Å; K62-M65 VanDerWaalsContact O-CB 3.23Å; K62-M65 WeakPolarHBondContact O-CB 3.35Å; K62-M65 PolarHBondContact O-N 2.97Å; K63-M65 PolarHBondContact O-N 3.39Å; M65-D69 HydrophobicContact CG-CB 3.93Å; M65-D69 HydrophobicContact SD-CB 4.31Å; M65-A70 HydrophobicContact CG-CB 4.08Å; M65-A70 HydrophobicContact SD-CB 4Å; M65-K73 HydrophobicContact CE-CD 4.17Å; M65-K73 HydrophobicContact SD-CD 4.12Å
66N97.6Very high97.4Very high64 Ų6474 Ų7434%0.34235%0.352SS..EExtended strand (participates in β ladder)trans-66.9146.3171.5-166.5-70.1000110.2R68 D69 A70N66-R68 PolarHBondContact O-N 3.07Å; N66-R68 WeakPolarHBondContact OD1-CB 3.41Å; N66-R68 PolarHBondContact OD1-N 2.96Å; N66-D69 WeakPolarHBondContact CB-OD2 3.47Å; N66-D69 PolarHBondContact O-N 2.98Å; N66-A70 VanDerWaalsContact O-CB 3.3Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 2.86Å
67V97.8Very high97.5Very high28 Ų2874.1 Ų74.117%0.1735%0.352CS..Hα-helixtrans-57.2-33.6176.6167.80000112.2Q44 Y47 V49 K71 L79Q44-V67 HydrophobicContact CG-CG2 3.82Å; Y47-V67 WeakPolarHBondContact O-CG2 3.4Å; Y47-V67 PolarHBondContact O-N 3.22Å; V49-V67 HydrophobicContact CG2-CG2 4.02Å; V67-K71 WeakPolarHBondContact O-CB 3.38Å; V67-K71 PolarHBondContact O-N 3.19Å; V67-K71 VanDerWaalsContact O-N 3.07Å; V67-L79 HydrophobicContact CG1-CD1 3.76Å
68R97.7Very high97.5Very high193 Ų19373.2 Ų73.273%0.72835%0.354SS*.Hα-helixtrans-61.9-61.8173.9-178-176.3-68.8175.7-3.7111N66 A70 K71 E72N66-R68 PolarHBondContact O-N 3.07Å; N66-R68 WeakPolarHBondContact OD1-CB 3.41Å; N66-R68 PolarHBondContact OD1-N 2.96Å; R68-A70 PolarHBondContact O-N 2.99Å; R68-K71 CarbonylContact O-C 3.56Å; R68-K71 PolarHBondContact O-N 2.86Å; R68-E72 PolarHBondContact O-N 3.33Å
69D97.9Very high97.5Very high50 Ų5068.4 Ų68.427%0.26734%0.335SS..Hα-helixtrans-60.6-31.4-176.3-28.3-14000111.9M65 N66 K73M65-D69 HydrophobicContact CG-CB 3.93Å; M65-D69 HydrophobicContact SD-CB 4.31Å; N66-D69 WeakPolarHBondContact CB-OD2 3.47Å; N66-D69 PolarHBondContact O-N 2.98Å; D69-K73 WeakPolarHBondContact O-CG 3.5Å; D69-K73 PolarHBondContact O-N 2.87Å
70A98.2Very high97.6Very high0 Ų066.5 Ų66.50%033%0.326CS..Hα-helixtrans-70-39.917500000112.5V49 V61 M65 N66 R68 C74 L77V49-A70 HydrophobicContact CG2-CB 3.74Å; V61-A70 HydrophobicContact CG1-CB 3.88Å; M65-A70 HydrophobicContact CG-CB 4.08Å; M65-A70 HydrophobicContact SD-CB 4Å; N66-A70 VanDerWaalsContact O-CB 3.3Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 2.86Å; R68-A70 PolarHBondContact O-N 2.99Å; A70-C74 PolarHBondContact O-N 3.23Å; A70-L77 HydrophobicContact CB-CD2 3.77Å
71K98.1Very high97.6Very high82 Ų8269.3 Ų69.336%0.35733%0.334SS..Hα-helixtrans-73-31173.9-87.7-65.6-161.1-177.60113.2V67 R68 C74 P75 L77 L79V67-K71 WeakPolarHBondContact O-CB 3.38Å; V67-K71 PolarHBondContact O-N 3.19Å; V67-K71 VanDerWaalsContact O-N 3.07Å; R68-K71 CarbonylContact O-C 3.56Å; R68-K71 PolarHBondContact O-N 2.86Å; K71-C74 CarbonylContact O-C 3.2Å; K71-C74 PolarHBondContact O-N 2.72Å; K71-P75 PolarHBondContact NZ-O 3.47Å; K71-P75 VanDerWaalsContact O-CA 3.23Å; K71-P75 WeakPolarHBondContact O-CA 3.33Å; K71-L77 HydrophobicContact CD-CB 4.31Å; K71-L77 WeakPolarHBondContact CE-O 3.47Å; K71-L77 PolarHBondContact NZ-O 3.31Å; K71-L79 HydrophobicContact CG-CD1 4.45Å
72E98.1Very high97.5Very high151 Ų15169.2 Ų69.271%0.70633%0.334SS*.Hα-helixtrans-63.8-42.5173.8-172.5-179.3167.100111.2R68R68-E72 PolarHBondContact O-N 3.33Å
73K98.1Very high97.5Very high113 Ų11365.5 Ų65.549%0.49132%0.318SS..Hα-helixtrans-77.1-28177.3-68.2175.2-174.5-173.30114.1M65 D69M65-K73 HydrophobicContact CE-CD 4.17Å; M65-K73 HydrophobicContact SD-CD 4.12Å; D69-K73 WeakPolarHBondContact O-CG 3.5Å; D69-K73 PolarHBondContact O-N 2.87Å
74C98.1Very high97.4Very high0 Ų064.9 Ų64.90%032%0.32CS..  trans-143.384.6-179.2-175.40000109.5L59 V61 A70 K71 Q76 L77L59-C74 HydrophobicContact CB-CB 4.28Å; L59-C74 HydrophobicContact CD1-CB 4.49Å; L59-C74 VanDerWaalsContact CD1-SG 3.5Å; V61-C74 HydrophobicContact CG2-CB 3.75Å; A70-C74 PolarHBondContact O-N 3.23Å; K71-C74 CarbonylContact O-C 3.2Å; K71-C74 PolarHBondContact O-N 2.72Å; C74-Q76 PolarHBondContact O-N 2.8Å; C74-Q76 VanDerWaalsContact SG-CD 3.58Å; C74-L77 HydrophobicContact CB-CB 3.99Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 3.1Å; C74-L77 PolarHBondContact SG-N 3.3Å
75P98.1Very high97.4Very high89 Ų8963.9 Ų63.958%0.57832%0.315SS*.THydrogen-bonded Turntrans-55.7-35.8179.7-2936.8000112.9K71 L77K71-P75 PolarHBondContact NZ-O 3.47Å; K71-P75 VanDerWaalsContact O-CA 3.23Å; K71-P75 WeakPolarHBondContact O-CA 3.33Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.03Å
76Q97.7Very high97.2Very high113 Ų11364.4 Ų64.453%0.52832%0.319SS..THydrogen-bonded Turntrans-791.7177.675.6-80.727.700114.9P40 C74 V78P40-Q76 HydrophobicContact CG-CG 3.85Å; C74-Q76 PolarHBondContact O-N 2.8Å; C74-Q76 VanDerWaalsContact SG-CD 3.58Å; Q76-V78 PolarHBondContact O-N 2.81Å; Q76-V78 VanDerWaalsContact O-N 3.16Å
77L98.6Very high97.1Very high2 Ų265.4 Ų65.41%0.0132%0.318CS..  trans-56.8117.5177.9-179.566.8000110.9P40 A56 V61 A70 K71 C74 P75 L79P40-L77 HydrophobicContact CB-CD1 4.38Å; A56-L77 HydrophobicContact CB-CD1 3.73Å; V61-L77 HydrophobicContact CG1-CD2 4.28Å; V61-L77 HydrophobicContact CG2-CD1 4.47Å; V61-L77 HydrophobicContact CG2-CD2 4.28Å; A70-L77 HydrophobicContact CB-CD2 3.77Å; K71-L77 HydrophobicContact CD-CB 4.31Å; K71-L77 WeakPolarHBondContact CE-O 3.47Å; K71-L77 PolarHBondContact NZ-O 3.31Å; C74-L77 HydrophobicContact CB-CB 3.99Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 3.1Å; C74-L77 PolarHBondContact SG-N 3.3Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.03Å; L77-L79 HydrophobicContact CD2-CD2 3.79Å; L77-L79 HydrophobicContact CD2-CG 4.44Å; L77-L79 HydrophobicContact CG-CD2 3.98Å; L77-L79 HydrophobicContact CG-CG 4.37Å
78V98.6Very high97Very high47 Ų4764.2 Ų64.229%0.28531%0.311SS..EExtended strand (participates in β ladder)trans-74.1137.8169.2-173.90000108.2L36 K39 P40 L41 G42 Q76L36-V78 HydrophobicContact CD2-CG1 3.85Å; K39-V78 HydrophobicContact CB-CG2 4.25Å; K39-V78 HydrophobicContact CD-CG2 4.37Å; P40-V78 PolarHBondContact O-N 3.15Å; L41-V78 WeakPolarHBondContact CA-O 3.35Å; L41-V78 HydrophobicContact CD1-CB 4.25Å; L41-V78 HydrophobicContact CD1-CG1 4.24Å; G42-V78 PolarHBondContact N-O 3.44Å; Q76-V78 PolarHBondContact O-N 2.81Å; Q76-V78 VanDerWaalsContact O-N 3.16Å
79L98.6Very high96.8Very high47 Ų4757.2 Ų57.225%0.24628%0.284CS..EExtended strand (participates in β ladder)trans-121.3126.6178-66.9173.4000109.7G42 V49 V67 K71 L77G42-L79 WeakPolarHBondContact O-CA 3.34Å; V49-L79 HydrophobicContact CG2-CD2 3.97Å; V67-L79 HydrophobicContact CG1-CD1 3.76Å; K71-L79 HydrophobicContact CG-CD1 4.45Å; L77-L79 HydrophobicContact CD2-CD2 3.79Å; L77-L79 HydrophobicContact CD2-CG 4.44Å; L77-L79 HydrophobicContact CG-CD2 3.98Å; L77-L79 HydrophobicContact CG-CG 4.37Å
80V98.4Very high96.6Very high34 Ų3459.5 Ų59.521%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-114.4136.7174175.20000108.6E29 L36 L41 G42 V43 Q44 G82E29-V80 HydrophobicContact CG-CB 4.21Å; E29-V80 HydrophobicContact CG-CG1 3.83Å; L36-V80 HydrophobicContact CD1-CG2 3.89Å; L41-V80 HydrophobicContact CD1-CB 4.34Å; L41-V80 HydrophobicContact CD1-CG2 3.75Å; G42-V80 PolarHBondContact O-N 3.4Å; G42-V80 VanDerWaalsContact O-N 3.08Å; V43-V80 WeakPolarHBondContact CA-O 3.36Å; Q44-V80 PolarHBondContact N-O 3.48Å; V80-G82 PolarHBondContact O-N 3.44Å
81N98.1Very high96.4Very high90 Ų9060.8 Ų60.848%0.48130%0.3SS..EExtended strand (participates in β ladder)trans-73127.9176.2-169.6-67.8000110.1E83N81-E83 PolarHBondContact ND2-OE1 3.02Å; N81-E83 VanDerWaalsContact ND2-OE1 3.13Å; N81-E83 VanDerWaalsContact OD1-CB 3.3Å; N81-E83 WeakPolarHBondContact OD1-CB 3.47Å; N81-E83 WeakPolarHBondContact OD1-CG 3.5Å; N81-E83 PolarHBondContact OD1-N 2.93Å
82G97.1Very high96.2Very high0 Ų057.4 Ų57.40%029%0.286CS..  trans-123.533.1177.200000113Q44 Q45 V80 Y88Q44-G82 PolarHBondContact O-N 3.48Å; Q45-G82 WeakPolarHBondContact CG-O 3.15Å; Q45-G82 PolarHBondContact NE2-O 3.2Å; V80-G82 PolarHBondContact O-N 3.44Å; G82-Y88 VanDerWaalsContact CA-OH 3.24Å; G82-Y88 WeakPolarHBondContact CA-OH 3.37Å
83E93.9Very high95.9Very high67 Ų6755.1 Ų55.131%0.31327%0.272SS..  trans-75.5-35.3176.5-66175.8-147.900111.8Q45 K46 N81 L85Q45-E83 HydrophobicContact CB-CG 4.04Å; Q45-E83 HydrophobicContact CG-CG 4.04Å; K46-E83 WeakPolarHBondContact CD-OE2 3.49Å; K46-E83 WeakPolarHBondContact CE-OE2 3.23Å; K46-E83 PolarHBondContact N-OE1 2.81Å; K46-E83 IonicContact NZ-OE2 2.73Å; K46-E83 PolarHBondContact NZ-OE2 2.83Å; N81-E83 PolarHBondContact ND2-OE1 3.02Å; N81-E83 VanDerWaalsContact ND2-OE1 3.13Å; N81-E83 VanDerWaalsContact OD1-CB 3.3Å; N81-E83 WeakPolarHBondContact OD1-CB 3.47Å; N81-E83 WeakPolarHBondContact OD1-CG 3.5Å; N81-E83 PolarHBondContact OD1-N 2.93Å; E83-L85 PolarHBondContact O-N 3.21Å
84D93.2Very high95.7Very high89 Ų8954.9 Ų54.948%0.47627%0.271SS..  trans-71.3115.7160.5174.630.9000109.8T86D84-T86 WeakPolarHBondContact OD1-CB 3.29Å; D84-T86 PolarHBondContact OD1-N 3.2Å; D84-T86 PolarHBondContact OD1-OG1 2.88Å
85L94.6Very high95.4Very high59 Ų5955.6 Ų55.631%0.30928%0.275SS..  trans-88.91179.7-62.4179.4000113.4Y25 E83 Y88 R89Y25-L85 HydrophobicContact CE2-CD2 3.94Å; Y25-L85 WeakPolarHBondContact OH-CD2 3.32Å; E83-L85 PolarHBondContact O-N 3.21Å; L85-Y88 HydrophobicContact CD2-CD2 3.82Å; L85-Y88 HydrophobicContact CD2-CE2 4.2Å; L85-Y88 PolarHBondContact O-N 2.75Å; L85-R89 VanDerWaalsContact O-CB 3.3Å; L85-R89 WeakPolarHBondContact O-CB 3.04Å; L85-R89 PolarHBondContact O-N 3.21Å
86T92.8Very high94.9Very high35 Ų3552.4 Ų52.422%0.21525%0.254CS..Hα-helixtrans-65.7-50.7-164.7-60.10000113.1D84 Y88 R89 E90D84-T86 WeakPolarHBondContact OD1-CB 3.29Å; D84-T86 PolarHBondContact OD1-N 3.2Å; D84-T86 PolarHBondContact OD1-OG1 2.88Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 2.77Å; T86-R89 WeakPolarHBondContact O-CB 3.5Å; T86-R89 PolarHBondContact O-N 3.02Å; T86-R89 VanDerWaalsContact O-N 3.07Å; T86-R89 PolarHBondContact OG1-NH1 2.68Å; T86-R89 VanDerWaalsContact OG1-NH1 3.09Å; T86-E90 WeakPolarHBondContact CG2-OE1 3.46Å; T86-E90 WeakPolarHBondContact O-CG 3.47Å; T86-E90 PolarHBondContact O-N 3.39Å
87R95.6Very high94.5Very high84 Ų8453.3 Ų53.332%0.31726%0.259SS..Hα-helixtrans-58.1-39.5174.5-67.2179.5-66.4125.57.6112.9V28 E29 S32 M91V28-R87 HydrophobicContact CG1-CB 4.38Å; E29-R87 IonicContact OE1-CZ 3.34Å; E29-R87 IonicContact OE1-NH1 2.73Å; E29-R87 PolarHBondContact OE1-NH1 3.42Å; E29-R87 IonicContact OE1-NH2 3.43Å; E29-R87 PolarHBondContact OE1-NH2 2.97Å; E29-R87 IonicContact OE2-CZ 2.96Å; E29-R87 IonicContact OE2-NH1 2.64Å; E29-R87 PolarHBondContact OE2-NH1 3.29Å; E29-R87 IonicContact OE2-NH2 3.11Å; E29-R87 PolarHBondContact OE2-NH2 3.01Å; S32-R87 PolarHBondContact OG-NH1 2.69Å; S32-R87 VanDerWaalsContact OG-NH1 3.15Å; R87-M91 WeakPolarHBondContact O-CB 3.41Å; R87-M91 PolarHBondContact O-N 2.92Å; R87-M91 VanDerWaalsContact O-N 3.09Å
88Y96.5Very high94Very high3 Ų354.4 Ų54.41%0.01226%0.264CS..Hα-helixtrans-67.2-37.6177-46.6-40.7000111.7F24 Y25 V28 E29 G82 L85 T86 S92F24-Y88 WeakPolarHBondContact CZ-O 3.5Å; Y25-Y88 AromaticContact CD1-CD1 3.81Å; Y25-Y88 HydrophobicContact CD1-CD1 3.81Å; Y25-Y88 AromaticContact CD1-CD2 3.47Å; Y25-Y88 HydrophobicContact CD1-CD2 3.47Å; Y25-Y88 VanDerWaalsContact CD1-CD2 3.47Å; Y25-Y88 HydrophobicContact CD1-CE1 4.3Å; Y25-Y88 AromaticContact CD1-CE2 3.99Å; Y25-Y88 HydrophobicContact CD1-CE2 3.99Å; Y25-Y88 AromaticContact CD1-CG 3.38Å; Y25-Y88 HydrophobicContact CD1-CG 3.38Å; Y25-Y88 AromaticContact CD2-CD2 3.8Å; Y25-Y88 HydrophobicContact CD2-CD2 3.8Å; Y25-Y88 AromaticContact CD2-CE2 3.6Å; Y25-Y88 HydrophobicContact CD2-CE2 3.6Å; Y25-Y88 HydrophobicContact CD2-CG 4.49Å; Y25-Y88 AromaticContact CE1-CD2 3.55Å; Y25-Y88 HydrophobicContact CE1-CD2 3.55Å; Y25-Y88 HydrophobicContact CE1-CE2 4.34Å; Y25-Y88 AromaticContact CE1-CG 3.66Å; Y25-Y88 HydrophobicContact CE1-CG 3.66Å; Y25-Y88 AromaticContact CE2-CD2 3.85Å; Y25-Y88 HydrophobicContact CE2-CD2 3.85Å; Y25-Y88 AromaticContact CE2-CE2 3.97Å; Y25-Y88 HydrophobicContact CE2-CE2 3.97Å; Y25-Y88 HydrophobicContact CG-CD1 4.06Å; Y25-Y88 AromaticContact CG-CD2 3.61Å; Y25-Y88 HydrophobicContact CG-CD2 3.61Å; Y25-Y88 HydrophobicContact CG-CE1 4.07Å; Y25-Y88 AromaticContact CG-CE2 3.61Å; Y25-Y88 HydrophobicContact CG-CE2 3.61Å; Y25-Y88 AromaticContact CG-CG 3.86Å; Y25-Y88 HydrophobicContact CG-CG 3.86Å; Y25-Y88 AromaticContact CG-CZ 3.86Å; Y25-Y88 AromaticContact CZ-CD2 3.73Å; V28-Y88 HydrophobicContact CB-CD1 3.83Å; V28-Y88 HydrophobicContact CB-CE1 4.09Å; V28-Y88 HydrophobicContact CG1-CD1 3.83Å; V28-Y88 HydrophobicContact CG1-CE1 4.15Å; V28-Y88 HydrophobicContact CG2-CD1 4.22Å; E29-Y88 WeakPolarHBondContact OE1-CE1 3.08Å; E29-Y88 VanDerWaalsContact OE1-CZ 3.25Å; E29-Y88 PolarHBondContact OE1-OH 3.03Å; G82-Y88 VanDerWaalsContact CA-OH 3.24Å; G82-Y88 WeakPolarHBondContact CA-OH 3.37Å; L85-Y88 HydrophobicContact CD2-CD2 3.82Å; L85-Y88 HydrophobicContact CD2-CE2 4.2Å; L85-Y88 PolarHBondContact O-N 2.75Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 2.77Å; Y88-S92 PolarHBondContact O-N 2.82Å; Y88-S92 PolarHBondContact O-OG 2.89Å
89R92.8Very high93.2Very high46 Ų4653.1 Ų53.117%0.17426%0.256CS..Hα-helixtrans-70-43179.8-166.7-168.1-56.4116.5-1.6111.7L85 T86 S92 Y93L85-R89 VanDerWaalsContact O-CB 3.3Å; L85-R89 WeakPolarHBondContact O-CB 3.04Å; L85-R89 PolarHBondContact O-N 3.21Å; T86-R89 WeakPolarHBondContact O-CB 3.5Å; T86-R89 PolarHBondContact O-N 3.02Å; T86-R89 VanDerWaalsContact O-N 3.07Å; T86-R89 PolarHBondContact OG1-NH1 2.68Å; T86-R89 VanDerWaalsContact OG1-NH1 3.09Å; R89-S92 WeakPolarHBondContact O-CB 3.45Å; R89-S92 PolarHBondContact O-N 3.35Å; R89-Y93 HydrophobicContact CG-CE2 3.77Å; R89-Y93 WeakPolarHBondContact O-CD2 3.23Å; R89-Y93 PolarHBondContact O-N 3.47Å; R89-Y93 VanDerWaalsContact O-N 3.15Å
90E92.9Very high92.5Very high99 Ų9953.9 Ų53.946%0.46326%0.259SS..Hα-helixtrans-59.6-46.4172.7-71168.3-17600111.4T86 S92 Y93 K94T86-E90 WeakPolarHBondContact CG2-OE1 3.46Å; T86-E90 WeakPolarHBondContact O-CG 3.47Å; T86-E90 PolarHBondContact O-N 3.39Å; E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 2.99Å; E90-Y93 PolarHBondContact O-N 3.12Å; E90-K94 PolarHBondContact O-N 2.85Å; E90-K94 VanDerWaalsContact O-N 3.11Å
91M95.2Very high91.8Very high26 Ų2658.4 Ų58.413%0.12828%0.275CS..Hα-helixtrans-64.5-37.1177.8-167.764.184.300112.1F24 V28 R87 Y93 K94 V95 L154 L156F24-M91 HydrophobicContact CE2-CB 4.34Å; F24-M91 HydrophobicContact CE2-CG 4.02Å; F24-M91 HydrophobicContact CZ-CB 4.12Å; F24-M91 HydrophobicContact CZ-CG 4.29Å; V28-M91 HydrophobicContact CG2-CB 4.23Å; V28-M91 HydrophobicContact CG2-CG 4.06Å; R87-M91 WeakPolarHBondContact O-CB 3.41Å; R87-M91 PolarHBondContact O-N 2.92Å; R87-M91 VanDerWaalsContact O-N 3.09Å; M91-Y93 VanDerWaalsContact C-N 3.35Å; M91-Y93 PolarHBondContact O-N 2.87Å; M91-K94 PolarHBondContact O-N 3.42Å; M91-K94 HydrophobicContact SD-CD 4.49Å; M91-V95 WeakPolarHBondContact O-CG2 3.36Å; M91-V95 PolarHBondContact O-N 3.31Å; M91-V95 VanDerWaalsContact O-N 3.11Å; M91-L154 HydrophobicContact SD-CB 4.11Å; M91-L154 HydrophobicContact SD-CD1 4.17Å; M91-L154 HydrophobicContact SD-CD2 4.08Å; M91-L154 HydrophobicContact SD-CG 4.35Å; M91-L156 HydrophobicContact CG-CD1 3.78Å; M91-L156 HydrophobicContact CG-CD2 4.27Å; M91-L156 HydrophobicContact CG-CG 4.46Å; M91-L156 HydrophobicContact SD-CD1 3.89Å; M91-L156 HydrophobicContact SD-CG 4.4Å
92S94.3Very high90.9Very high11 Ų1156.5 Ų56.58%0.07726%0.262CS..Hα-helixtrans-58.7-41.5172.1-77.10000113.2F24 Y88 R89 E90 T96 H595F24-S92 WeakPolarHBondContact CE1-OG 3.5Å; Y88-S92 PolarHBondContact O-N 2.82Å; Y88-S92 PolarHBondContact O-OG 2.89Å; R89-S92 WeakPolarHBondContact O-CB 3.45Å; R89-S92 PolarHBondContact O-N 3.35Å; E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 2.99Å; S92-T96 PolarHBondContact O-N 3.22Å; S92-T96 VanDerWaalsContact O-N 3.07Å; S92-T96 PolarHBondContact O-OG1 3.32Å; S92-H595 WeakPolarHBondContact CB-NE2 3.36Å; S92-H595 PolarHBondContact OG-CE1 3.29Å
93Y91.1Very high90Very high103 Ų10357.7 Ų57.740%0.40427%0.267SS..Hα-helixtrans-68.4-43.1177.3-64.8-49.4000111.9R89 E90 M91 V95 T96 E97 P262R89-Y93 HydrophobicContact CG-CE2 3.77Å; R89-Y93 WeakPolarHBondContact O-CD2 3.23Å; R89-Y93 PolarHBondContact O-N 3.47Å; R89-Y93 VanDerWaalsContact O-N 3.15Å; E90-Y93 PolarHBondContact O-N 3.12Å; M91-Y93 VanDerWaalsContact C-N 3.35Å; M91-Y93 PolarHBondContact O-N 2.87Å; Y93-V95 VanDerWaalsContact C-N 3.28Å; Y93-V95 PolarHBondContact O-N 3.08Å; Y93-T96 WeakPolarHBondContact O-CB 3.38Å; Y93-T96 PolarHBondContact O-N 2.82Å; Y93-E97 WeakPolarHBondContact O-CB 3.3Å; Y93-E97 PolarHBondContact O-N 3.24Å; Y93-P262 HydrophobicContact CE1-CG 4.23Å; Y93-P262 WeakPolarHBondContact OH-CG 3.46Å
94K93.1Very high89.3Confident108 Ų10861.2 Ų61.247%0.4728%0.284SS..Hα-helixtrans-57.5-40176.5-69.2176.9179.9178.60112.6E90 M91 M98 L154E90-K94 PolarHBondContact O-N 2.85Å; E90-K94 VanDerWaalsContact O-N 3.11Å; M91-K94 PolarHBondContact O-N 3.42Å; M91-K94 HydrophobicContact SD-CD 4.49Å; K94-M98 WeakPolarHBondContact O-CB 3.43Å; K94-M98 PolarHBondContact O-N 3.49Å; K94-M98 VanDerWaalsContact O-N 3.11Å; K94-L154 HydrophobicContact CB-CD1 3.93Å; K94-L154 HydrophobicContact CB-CD2 3.96Å; K94-L154 HydrophobicContact CD-CD2 3.98Å
95V92.1Very high88.6Confident15 Ų1561.1 Ų61.19%0.09128%0.281CS..Hα-helixtrans-65.4-42.9173.4170.30000111.5L21 M91 Y93 V99 M150 L154 L156L21-V95 HydrophobicContact CD1-CG1 4.44Å; L21-V95 HydrophobicContact CD1-CG2 4.15Å; M91-V95 WeakPolarHBondContact O-CG2 3.36Å; M91-V95 PolarHBondContact O-N 3.31Å; M91-V95 VanDerWaalsContact O-N 3.11Å; Y93-V95 VanDerWaalsContact C-N 3.28Å; Y93-V95 PolarHBondContact O-N 3.08Å; V95-V99 WeakPolarHBondContact O-CG2 3.11Å; V95-V99 PolarHBondContact O-N 3.5Å; V95-M150 HydrophobicContact CG1-SD 3.73Å; V95-M150 HydrophobicContact CG2-SD 4.49Å; V95-L154 HydrophobicContact CG2-CD1 3.67Å; V95-L156 HydrophobicContact CG2-CD1 3.31Å
96T88.3Confident87.6Confident22 Ų2260.6 Ų60.614%0.13528%0.278CS..Hα-helixtrans-65.1-48.7-179.6-550000111.4S92 Y93 M98 V99 E100 A593S92-T96 PolarHBondContact O-N 3.22Å; S92-T96 VanDerWaalsContact O-N 3.07Å; S92-T96 PolarHBondContact O-OG1 3.32Å; Y93-T96 WeakPolarHBondContact O-CB 3.38Å; Y93-T96 PolarHBondContact O-N 2.82Å; T96-M98 PolarHBondContact O-N 2.83Å; T96-V99 PolarHBondContact O-N 3.46Å; T96-E100 HydrophobicContact CG2-CG 4.5Å; T96-E100 WeakPolarHBondContact O-CG 3.48Å; T96-E100 PolarHBondContact O-N 2.89Å; T96-A593 HydrophobicContact CG2-CB 3.8Å; T96-A593 VanDerWaalsContact OG1-CB 3.32Å; T96-A593 WeakPolarHBondContact OG1-CB 3.48Å
97E89Confident86.3Confident133 Ų13365.1 Ų65.162%0.62130%0.297SS*.Hα-helixtrans-58.7-42.8177.3-178.9-178.8-163.800112Y93 V99 E100 K101Y93-E97 WeakPolarHBondContact O-CB 3.3Å; Y93-E97 PolarHBondContact O-N 3.24Å; E97-V99 PolarHBondContact O-N 3.37Å; E97-E100 PolarHBondContact O-N 3.13Å; E97-K101 VanDerWaalsContact O-CB 3.3Å; E97-K101 WeakPolarHBondContact O-CB 3.1Å; E97-K101 PolarHBondContact O-N 2.82Å
98M87.1Confident84.6Confident25 Ų2565.6 Ų65.612%0.12331%0.313CS..Hα-helixtrans-61.4-43.8176.7-175-167.6-58.700112.2K94 T96 K101 R102 A149 M150 Q153 L154K94-M98 WeakPolarHBondContact O-CB 3.43Å; K94-M98 PolarHBondContact O-N 3.49Å; K94-M98 VanDerWaalsContact O-N 3.11Å; T96-M98 PolarHBondContact O-N 2.83Å; M98-K101 PolarHBondContact O-N 2.67Å; M98-R102 PolarHBondContact O-N 2.85Å; M98-A149 VanDerWaalsContact SD-C 3.5Å; M98-A149 HydrophobicContact SD-CB 3.78Å; M98-M150 HydrophobicContact SD-CB 4.37Å; M98-M150 HydrophobicContact SD-CG 3.81Å; M98-M150 PolarHBondContact SD-N 2.96Å; M98-Q153 HydrophobicContact CE-CB 3.7Å; M98-Q153 HydrophobicContact CE-CG 4.33Å; M98-L154 HydrophobicContact CE-CD1 3.57Å; M98-L154 HydrophobicContact CE-CG 3.72Å
99V83.1Confident83.1Confident20 Ų2069.3 Ų69.312%0.12133%0.333CS..Hα-helixtrans-67.2-46.6177.1177.10000110.2V95 T96 E97 K101 R102 L103 M146 V591V95-V99 WeakPolarHBondContact O-CG2 3.11Å; V95-V99 PolarHBondContact O-N 3.5Å; T96-V99 PolarHBondContact O-N 3.46Å; E97-V99 PolarHBondContact O-N 3.37Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 2.89Å; V99-R102 PolarHBondContact O-N 2.92Å; V99-L103 HydrophobicContact CG1-CD1 4.3Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.18Å; V99-L103 PolarHBondContact O-N 2.9Å; V99-L103 VanDerWaalsContact O-N 3.11Å; V99-M146 HydrophobicContact CG1-CE 4.1Å; V99-M146 HydrophobicContact CG1-SD 4.2Å; V99-V591 HydrophobicContact CG1-CG1 3.91Å; V99-V591 HydrophobicContact CG1-CG2 4.48Å
100E83.8Confident81.6Confident63 Ų6376.5 Ų76.529%0.29437%0.369SS..Hα-helixtrans-57.4-39.5176.8-73.3-178.4171.600112.2T96 E97 Q104T96-E100 HydrophobicContact CG2-CG 4.5Å; T96-E100 WeakPolarHBondContact O-CG 3.48Å; T96-E100 PolarHBondContact O-N 2.89Å; E97-E100 PolarHBondContact O-N 3.13Å; E100-Q104 WeakPolarHBondContact O-CG 3.25Å; E100-Q104 PolarHBondContact O-N 3.05Å
101K83.6Confident80.1Confident129 Ų12976.7 Ų76.756%0.56137%0.372SS*.Hα-helixtrans-65.8-44.5174.5-174.5176.4-179.6178.40113.1E97 M98 V99 L103 Q104 Q105E97-K101 VanDerWaalsContact O-CB 3.3Å; E97-K101 WeakPolarHBondContact O-CB 3.1Å; E97-K101 PolarHBondContact O-N 2.82Å; M98-K101 PolarHBondContact O-N 2.67Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 2.89Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.15Å; K101-Q104 PolarHBondContact O-N 2.94Å; K101-Q105 PolarHBondContact O-N 2.7Å
102R79.4Confident78.5Confident50 Ų5079.5 Ų79.519%0.18939%0.394CS..Hα-helixtrans-62.7-37.6178.4-17666.3-172.6128.9-0.3111.4M98 V99 Q104 Q105 L106 D109 E145 M146M98-R102 PolarHBondContact O-N 2.85Å; V99-R102 PolarHBondContact O-N 2.92Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.45Å; R102-Q105 WeakPolarHBondContact O-CB 3.36Å; R102-Q105 PolarHBondContact O-N 3.03Å; R102-Q105 VanDerWaalsContact O-N 3.1Å; R102-L106 HydrophobicContact CG-CD1 4.32Å; R102-L106 HydrophobicContact CG-CG 4.35Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 2.91Å; R102-D109 IonicContact CZ-OD2 2.7Å; R102-D109 IonicContact NH1-OD2 3.38Å; R102-D109 PolarHBondContact NH1-OD2 2.91Å; R102-D109 IonicContact NH2-OD2 2.69Å; R102-D109 PolarHBondContact NH2-OD2 2.69Å; R102-E145 IonicContact CZ-OE2 1.8Å; R102-E145 VanDerWaalsContact CZ-OE2 3.25Å; R102-E145 IonicContact NE-OE2 3.84Å; R102-E145 PolarHBondContact NE-OE2 3.42Å; R102-E145 IonicContact NH2-OE1 3.94Å; R102-E145 IonicContact NH2-OE2 3.73Å; R102-E145 PolarHBondContact NH2-OE2 3.45Å; R102-M146 HydrophobicContact CB-CE 4.45Å; R102-M146 HydrophobicContact CG-CE 4.26Å
103L77.1Confident77.7Confident24 Ų2482.9 Ų82.913%0.12642%0.423CS..Hα-helixtrans-62.5-34.3177.9-62.4164.8000113.6V99 K101 Q105 L106 M146 P589 V591V99-L103 HydrophobicContact CG1-CD1 4.3Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.18Å; V99-L103 PolarHBondContact O-N 2.9Å; V99-L103 VanDerWaalsContact O-N 3.11Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.15Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-L106 HydrophobicContact CD2-CD1 4.38Å; L103-M146 HydrophobicContact CD2-CE 3.99Å; L103-M146 HydrophobicContact CG-CE 4.46Å; L103-P589 HydrophobicContact CD2-CB 4.19Å; L103-V591 HydrophobicContact CD1-CB 3.43Å; L103-V591 VanDerWaalsContact CD1-CB 3.43Å; L103-V591 HydrophobicContact CD1-CG1 4.13Å; L103-V591 HydrophobicContact CD1-CG2 3.34Å; L103-V591 HydrophobicContact CD2-CG2 4.01Å; L103-V591 HydrophobicContact CG-CG2 4.27Å
104Q79.4Confident77.2Confident141 Ų14180.8 Ų80.866%0.65942%0.421SS*.Hα-helixtrans-67.9-35.1175.1-65.6169.611.600111.1E100 K101 R102E100-Q104 WeakPolarHBondContact O-CG 3.25Å; E100-Q104 PolarHBondContact O-N 3.05Å; K101-Q104 PolarHBondContact O-N 2.94Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.45Å
105Q78.5Confident77Confident88 Ų8879.3 Ų79.341%0.41142%0.421SS..Hα-helixtrans-76.9-30.5178.1-63.1174.2-45.800113.3K101 R102 L103 Q107 S108K101-Q105 PolarHBondContact O-N 2.7Å; R102-Q105 WeakPolarHBondContact O-CB 3.36Å; R102-Q105 PolarHBondContact O-N 3.03Å; R102-Q105 VanDerWaalsContact O-N 3.1Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; Q105-Q107 PolarHBondContact O-N 2.91Å; Q105-S108 PolarHBondContact O-N 2.99Å; Q105-S108 PolarHBondContact O-OG 3.18Å
106L73.3Confident76.7Confident47 Ų4781.1 Ų81.125%0.24643%0.432CS..THydrogen-bonded Turntrans-63.7-5.8175.9-73.4170000114.1R102 L103 I142 M146R102-L106 HydrophobicContact CG-CD1 4.32Å; R102-L106 HydrophobicContact CG-CG 4.35Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 2.91Å; L103-L106 HydrophobicContact CD2-CD1 4.38Å; L106-I142 HydrophobicContact CD1-CD1 4.24Å; L106-I142 HydrophobicContact CD1-CG1 4.42Å; L106-I142 HydrophobicContact CD1-CG2 3.69Å; L106-I142 HydrophobicContact CD2-CD1 4.13Å; L106-I142 HydrophobicContact CD2-CG1 4.05Å; L106-M146 HydrophobicContact CD1-CE 4.38Å
107Q65.3Low76.9Confident130 Ų13081.5 Ų81.561%0.60744%0.435SS*.THydrogen-bonded Turntrans-84.4-7.7171.2-60.4-167.1-27.700113.6Q105Q105-Q107 PolarHBondContact O-N 2.91Å
108S61.8Low77.2Confident95 Ų9577.5 Ų77.566%0.66443%0.43SS*.THydrogen-bonded Turntrans-124.1-9.4-176.854.10000115.6Q105Q105-S108 PolarHBondContact O-N 2.99Å; Q105-S108 PolarHBondContact O-OG 3.18Å
109D63.3Low77.7Confident80 Ų8079.5 Ų79.543%0.42844%0.439SS..PPolyproline II helixtrans-82.5130.9-178.9-71-5.2000111.6R102R102-D109 IonicContact CZ-OD2 2.7Å; R102-D109 IonicContact NH1-OD2 3.38Å; R102-D109 PolarHBondContact NH1-OD2 2.91Å; R102-D109 IonicContact NH2-OD2 2.69Å; R102-D109 PolarHBondContact NH2-OD2 2.69Å
110E61.3Low78.4Confident197 Ų19779.6 Ų79.692%0.92144%0.44SS*.PPolyproline II helixtrans-71.8136.2162.5-69.9-167.9149.300110
111L61.2Low79.1Confident103 Ų10377.4 Ų77.454%0.53943%0.429SS..PPolyproline II helixtrans-81.3131.1-171.6-142.885.2000112.1V138L111-V138 HydrophobicContact CD1-CG1 4.08Å; L111-V138 HydrophobicContact CD2-CB 4.11Å; L111-V138 HydrophobicContact CD2-CG1 3.58Å; L111-V138 HydrophobicContact CD2-CG2 3.38Å; L111-V138 HydrophobicContact CG-CG1 4.43Å
112S63Low79.6Confident85 Ų8574.8 Ų74.859%0.59442%0.421SS*.PPolyproline II helixtrans-69.5172.2172.776.20000112.5V114S112-V114 PolarHBondContact O-N 3.38Å
113A76.6Confident80.4Confident82 Ų8279.6 Ų79.668%0.67845%0.451SS*.PPolyproline II helixtrans-54.6133.4-179.200000112T115 Q141A113-T115 PolarHBondContact O-N 3.27Å; A113-Q141 PolarHBondContact O-NE2 3.33Å
114V81.8Confident81.3Confident59 Ų5980.6 Ų80.636%0.35846%0.455SS..  trans-69.5114-174.1-178.10000110.6S112 I134 L137 V138S112-V114 PolarHBondContact O-N 3.38Å; V114-I134 HydrophobicContact CG1-CG2 4.36Å; V114-I134 HydrophobicContact CG2-CG2 4.24Å; V114-L137 HydrophobicContact CG1-CB 3.9Å; V114-L137 HydrophobicContact CG1-CD1 4.22Å; V114-V138 HydrophobicContact CG1-CG2 4.36Å; V114-V138 HydrophobicContact CG2-CG2 4.14Å
115T87.2Confident82.1Confident77 Ų7778.3 Ų78.347%0.47245%0.454SS..  trans-132.9158.9178.858.60000110.6A113 Q141A113-T115 PolarHBondContact O-N 3.27Å; T115-Q141 WeakPolarHBondContact O-CG 3.35Å; T115-Q141 PolarHBondContact OG1-NE2 2.9Å
116V87.7Confident82.9Confident54 Ų5477.3 Ų77.333%0.32745%0.451SS..  trans-81.2131.5171.9-165.70000109.1V120 I126 L137 V183V116-V120 HydrophobicContact CG1-CG2 3.84Å; V116-V120 HydrophobicContact CG2-CG2 4.42Å; V116-I126 HydrophobicContact CG2-CD1 3.36Å; V116-L137 HydrophobicContact CB-CD2 4.32Å; V116-L137 HydrophobicContact CG1-CD2 4.14Å; V116-L137 HydrophobicContact CG2-CD1 4.02Å; V116-L137 HydrophobicContact CG2-CD2 3.81Å; V116-V183 HydrophobicContact CG1-CG1 4.4Å
117S91.7Very high83.9Confident29 Ų2978.5 Ų78.520%0.20346%0.458CS..  trans-109.4118.2165.7-66.40000110.1S140 Q181S117-S140 WeakPolarHBondContact CB-O 3.24Å; S117-S140 PolarHBondContact N-OG 2.9Å; S117-Q181 WeakPolarHBondContact O-CG 3.44Å; S117-Q181 PolarHBondContact O-NE2 3.11Å
118G94.7Very high85.2Confident50 Ų5077.8 Ų77.852%0.51546%0.457SS..SBendtrans80.8-153-174.600000113.7
119H97.6Very high86.7Confident66 Ų6680.7 Ų80.731%0.30647%0.465SS..EExtended strand (participates in β ladder)trans-89.7140.7-171.1-59.9-69.8000112.5F176 Q180 Q181 T182 V183H119-F176 HydrophobicContact CB-CD2 3.83Å; H119-F176 HydrophobicContact CB-CE2 3.72Å; H119-F176 HydrophobicContact CB-CZ 4.35Å; H119-F176 AromaticContact CD2-CD1 3.73Å; H119-F176 AromaticContact CD2-CD2 3.49Å; H119-F176 VanDerWaalsContact CD2-CD2 3.49Å; H119-F176 WeakPolarHBondContact CD2-CD2 3.47Å; H119-F176 AromaticContact CD2-CE2 4Å; H119-F176 AromaticContact CD2-CG 3.34Å; H119-F176 WeakPolarHBondContact CD2-CG 3.29Å; H119-F176 AromaticContact CG-CD2 3.77Å; H119-F176 AromaticContact CG-CE2 3.83Å; H119-F176 AromaticContact NE2-CD1 3.67Å; H119-F176 AromaticContact NE2-CG 3.74Å; H119-Q180 PolarHBondContact NE2-OE1 3.34Å; H119-Q181 PolarHBondContact N-O 3.37Å; H119-T182 HydrophobicContact CB-CG2 4.17Å; H119-T182 CarbonylContact O-C 3.57Å; H119-T182 VanDerWaalsContact O-CA 3.28Å; H119-T182 WeakPolarHBondContact O-CA 3.45Å; H119-V183 PolarHBondContact O-N 2.77Å
120V97.8Very high88.1Confident23 Ų2379.1 Ų79.114%0.13946%0.456CS..EExtended strand (participates in β ladder)trans-85.5126159.5-172.80000108.2V116 N123 Q124 I126 V183 L185V116-V120 HydrophobicContact CG1-CG2 3.84Å; V116-V120 HydrophobicContact CG2-CG2 4.42Å; V120-N123 PolarHBondContact O-N 3.31Å; V120-Q124 HydrophobicContact CG1-CB 3.97Å; V120-I126 HydrophobicContact CG2-CD1 4.13Å; V120-I126 HydrophobicContact CG2-CG1 4.29Å; V120-V183 HydrophobicContact CB-CG1 4.36Å; V120-V183 HydrophobicContact CG1-CG1 4.45Å; V120-V183 HydrophobicContact CG2-CG1 4.02Å; V120-L185 HydrophobicContact CG1-CD1 3.56Å; V120-L185 HydrophobicContact CG1-CG 4.06Å
121Y98.1Very high89.5Confident16 Ų1672.8 Ų72.86%0.06343%0.431CS..G310 helixtrans-59.8141.5179179.6-100.3000111.4N123 Q124 V172 V175 V183 L184 H191 L192Y121-N123 PolarHBondContact O-N 2.82Å; Y121-N123 VanDerWaalsContact O-N 3.08Å; Y121-Q124 PolarHBondContact O-N 3.01Å; Y121-V172 HydrophobicContact CD2-CG2 4.02Å; Y121-V172 HydrophobicContact CG-CG2 4.03Å; Y121-V175 HydrophobicContact CD2-CG1 4.16Å; Y121-V175 HydrophobicContact CD2-CG2 3.99Å; Y121-V175 HydrophobicContact CE2-CG1 4.16Å; Y121-V175 HydrophobicContact CE2-CG2 3.93Å; Y121-V183 WeakPolarHBondContact CB-O 3.46Å; Y121-V183 PolarHBondContact N-O 3.4Å; Y121-L184 HydrophobicContact CD1-CD1 3.45Å; Y121-L184 VanDerWaalsContact CD1-CD1 3.45Å; Y121-L184 HydrophobicContact CE1-CD1 4.21Å; Y121-L184 HydrophobicContact CG-CD1 3.96Å; Y121-H191 HydrophobicContact CE1-CB 4.4Å; Y121-H191 AromaticContact CE1-ND1 3.71Å; Y121-H191 AromaticContact CZ-ND1 3.7Å; Y121-H191 PolarHBondContact OH-ND1 2.92Å; Y121-L192 HydrophobicContact CD1-CB 4.39Å; Y121-L192 HydrophobicContact CD2-CD1 4.35Å; Y121-L192 HydrophobicContact CE1-CB 3.74Å; Y121-L192 HydrophobicContact CE1-CD1 4.3Å; Y121-L192 HydrophobicContact CE2-CD1 3.75Å; Y121-L192 WeakPolarHBondContact OH-CA 3.25Å
122N95.9Very high91.1Very high75 Ų7570.6 Ų70.640%0.40142%0.419SS..G310 helixtrans5520.8-178-16049.3000114.9Q124 H191N122-Q124 PolarHBondContact O-N 3.49Å; N122-Q124 VanDerWaalsContact O-N 3.09Å; N122-H191 PolarHBondContact OD1-CE1 2.93Å
123N95.2Very high92.6Very high151 Ų15166.9 Ų66.981%0.80739%0.393SS*.G310 helixtrans53.427.8-175.8-65.274.6000113.6V120 Y121 S125V120-N123 PolarHBondContact O-N 3.31Å; Y121-N123 PolarHBondContact O-N 2.82Å; Y121-N123 VanDerWaalsContact O-N 3.08Å; N123-S125 PolarHBondContact O-N 3.15Å
124Q95.7Very high93.5Very high45 Ų4564.9 Ų64.921%0.2137%0.37CS..PPolyproline II helixtrans-55135-177.1-179.167.319.600111.7V120 Y121 N122 I126 L185 E187 S188V120-Q124 HydrophobicContact CG1-CB 3.97Å; Y121-Q124 PolarHBondContact O-N 3.01Å; N122-Q124 PolarHBondContact O-N 3.49Å; N122-Q124 VanDerWaalsContact O-N 3.09Å; Q124-I126 PolarHBondContact O-N 3.3Å; Q124-L185 HydrophobicContact CB-CD1 4.15Å; Q124-L185 HydrophobicContact CG-CB 4.05Å; Q124-L185 HydrophobicContact CG-CD1 3.85Å; Q124-E187 PolarHBondContact NE2-OE2 2.97Å; Q124-S188 PolarHBondContact OE1-OG 3.47Å
125S96.2Very high94Very high93 Ų9364.5 Ų64.565%0.6536%0.362SS*.PPolyproline II helixtrans-67130.1177.149.40000111.5N123 H133N123-S125 PolarHBondContact O-N 3.15Å; S125-H133 PolarHBondContact O-CE1 3.22Å
126I95.8Very high94.5Very high66 Ų6661.1 Ų61.134%0.33834%0.341SS..PPolyproline II helixtrans-80.7124.7179.7-61.8157000109.1V116 V120 Q124 L128 L137 L185V116-I126 HydrophobicContact CG2-CD1 3.36Å; V120-I126 HydrophobicContact CG2-CD1 4.13Å; V120-I126 HydrophobicContact CG2-CG1 4.29Å; Q124-I126 PolarHBondContact O-N 3.3Å; I126-L128 HydrophobicContact CG2-CD2 3.76Å; I126-L128 HydrophobicContact CG2-CG 4.17Å; I126-L137 HydrophobicContact CD1-CD1 4.46Å; I126-L137 HydrophobicContact CG2-CD1 3.82Å; I126-L185 HydrophobicContact CG1-CD1 4.3Å
127N93.7Very high94.8Very high73 Ų7358.7 Ų58.739%0.3933%0.326SS..  trans-98.5104.2168.6-176.37.9000110L129 D130 H133N127-L129 PolarHBondContact O-N 2.69Å; N127-L129 VanDerWaalsContact O-N 3.16Å; N127-L129 WeakPolarHBondContact OD1-CB 3.46Å; N127-L129 PolarHBondContact OD1-N 3.17Å; N127-D130 HydrophobicContact CB-CB 4Å; N127-D130 WeakPolarHBondContact O-CB 3.44Å; N127-D130 PolarHBondContact O-N 3.27Å; N127-H133 PolarHBondContact N-ND1 3.24Å; N127-H133 WeakPolarHBondContact O-CB 3.49Å
128L92.6Very high94.9Very high114 Ų11458.4 Ų58.460%0.59732%0.324SS*.THydrogen-bonded Turntrans-71.6-1176.5-64.5178.9000114I126 L137I126-L128 HydrophobicContact CG2-CD2 3.76Å; I126-L128 HydrophobicContact CG2-CG 4.17Å; L128-L137 HydrophobicContact CD2-CD1 4.37Å
129L92.9Very high94.9Very high157 Ų15756.2 Ų56.282%0.82230%0.301SS*.THydrogen-bonded Turntrans-92.9-9167.5-53.5178.5000112.4N127N127-L129 PolarHBondContact O-N 2.69Å; N127-L129 VanDerWaalsContact O-N 3.16Å; N127-L129 WeakPolarHBondContact OD1-CB 3.46Å; N127-L129 PolarHBondContact OD1-N 3.17Å
130D92.7Very high94.8Very high46 Ų4653.1 Ų53.125%0.24629%0.286CS..  trans-92.2117.6178.1-170-46.2000110.9N127 L132 H133 I134N127-D130 HydrophobicContact CB-CB 4Å; N127-D130 WeakPolarHBondContact O-CB 3.44Å; N127-D130 PolarHBondContact O-N 3.27Å; D130-L132 VanDerWaalsContact C-N 3.25Å; D130-L132 PolarHBondContact O-N 2.8Å; D130-L132 WeakPolarHBondContact OD1-CA 3.48Å; D130-L132 WeakPolarHBondContact OD1-CB 3.35Å; D130-L132 PolarHBondContact OD1-N 3.28Å; D130-H133 HydrophobicContact CB-CB 4.01Å; D130-H133 VanDerWaalsContact CG-CD2 3.43Å; D130-H133 WeakPolarHBondContact O-CB 3.43Å; D130-H133 PolarHBondContact O-N 3.07Å; D130-H133 VanDerWaalsContact O-N 3.14Å; D130-H133 IonicContact OD1-CD2 2.69Å; D130-H133 PolarHBondContact OD1-N 3.11Å; D130-H133 IonicContact OD2-CD2 3.45Å; D130-H133 IonicContact OD2-NE2 3.27Å; D130-I134 WeakPolarHBondContact O-CG1 3.44Å; D130-I134 PolarHBondContact O-N 3.37Å
131V92.6Very high94.6Very high65 Ų6552.7 Ų52.739%0.39428%0.283SS..Hα-helixtrans-60.2-32.2179.1170.40000112.7R135 F584V131-R135 HydrophobicContact CG1-CG 4.49Å; V131-R135 WeakPolarHBondContact O-CB 3.38Å; V131-R135 WeakPolarHBondContact O-CD 3.33Å; V131-R135 WeakPolarHBondContact O-CG 2.78Å; V131-R135 PolarHBondContact O-N 3.37Å; V131-R135 VanDerWaalsContact O-N 3.1Å; V131-F584 HydrophobicContact CG1-CD1 4.42Å; V131-F584 HydrophobicContact CG1-CE1 3.48Å; V131-F584 VanDerWaalsContact CG1-CE1 3.48Å; V131-F584 HydrophobicContact CG1-CZ 3.88Å; V131-F584 HydrophobicContact CG2-CE1 4.25Å; V131-F584 HydrophobicContact CG2-CZ 4.2Å
132L93.9Very high94.4Very high56 Ų5653.3 Ų53.329%0.29329%0.287SS..Hα-helixtrans-71.8-41.6175.7-54.7-176.4000110.8D130 R135 L136 P186D130-L132 VanDerWaalsContact C-N 3.25Å; D130-L132 PolarHBondContact O-N 2.8Å; D130-L132 WeakPolarHBondContact OD1-CA 3.48Å; D130-L132 WeakPolarHBondContact OD1-CB 3.35Å; D130-L132 PolarHBondContact OD1-N 3.28Å; L132-R135 PolarHBondContact O-N 3.11Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CD1 3.35Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.08Å; L132-P186 HydrophobicContact CB-CG 4.3Å; L132-P186 HydrophobicContact CD1-CG 4.21Å
133H95.4Very high94.3Very high7 Ų749.8 Ų49.83%0.03227%0.268CS..Hα-helixtrans-59.1-54174.7-74.6-133.8000110.1S125 N127 D130 R135 L136 L137 L185 E187S125-H133 PolarHBondContact O-CE1 3.22Å; N127-H133 PolarHBondContact N-ND1 3.24Å; N127-H133 WeakPolarHBondContact O-CB 3.49Å; D130-H133 HydrophobicContact CB-CB 4.01Å; D130-H133 VanDerWaalsContact CG-CD2 3.43Å; D130-H133 WeakPolarHBondContact O-CB 3.43Å; D130-H133 PolarHBondContact O-N 3.07Å; D130-H133 VanDerWaalsContact O-N 3.14Å; D130-H133 IonicContact OD1-CD2 2.69Å; D130-H133 PolarHBondContact OD1-N 3.11Å; D130-H133 IonicContact OD2-CD2 3.45Å; D130-H133 IonicContact OD2-NE2 3.27Å; H133-R135 VanDerWaalsContact C-N 3.35Å; H133-R135 PolarHBondContact O-N 3.08Å; H133-L136 PolarHBondContact O-N 3.37Å; H133-L136 VanDerWaalsContact O-N 3.16Å; H133-L137 WeakPolarHBondContact O-CG 3.4Å; H133-L137 PolarHBondContact O-N 2.99Å; H133-L185 HydrophobicContact CB-CD2 4.17Å; H133-E187 IonicContact CD2-OE1 2.61Å; H133-E187 IonicContact CE1-OE1 3.67Å; H133-E187 IonicContact CE1-OE2 2.69Å; H133-E187 PolarHBondContact CE1-OE2 3.09Å; H133-E187 VanDerWaalsContact CE1-OE2 3.29Å; H133-E187 CovalentContact NE2-OE1 1.8Å; H133-E187 IonicContact NE2-OE1 3.73Å; H133-E187 PolarHBondContact NE2-OE1 3.41Å; H133-E187 IonicContact NE2-OE2 2.76Å; H133-E187 PolarHBondContact NE2-OE2 2.89Å
134I93.6Very high94.4Very high41 Ų4143.8 Ų43.821%0.2124%0.24CC..Hα-helixtrans-50.3-53.6176.7-66.5167.9000110.9V114 D130 L136 L137 V138V114-I134 HydrophobicContact CG1-CG2 4.36Å; V114-I134 HydrophobicContact CG2-CG2 4.24Å; D130-I134 WeakPolarHBondContact O-CG1 3.44Å; D130-I134 PolarHBondContact O-N 3.37Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.39Å; I134-L137 PolarHBondContact O-N 3.47Å; I134-L137 VanDerWaalsContact O-N 3.14Å; I134-V138 WeakPolarHBondContact O-CG2 3.47Å; I134-V138 PolarHBondContact O-N 3.18Å
135R93.9Very high94.2Very high51 Ų5145 Ų4519%0.19225%0.246CC..Hα-helixtrans-66.1-31.5-175.6-70.6169.468.1-117.21.3112.8S13 V15 V131 L132 H133 G139S13-R135 VanDerWaalsContact O-CZ 3.28Å; S13-R135 PolarHBondContact O-NH1 3.21Å; S13-R135 PolarHBondContact O-NH2 3.04Å; V15-R135 HydrophobicContact CG2-CB 3.91Å; V15-R135 WeakPolarHBondContact CG2-O 3.45Å; V131-R135 HydrophobicContact CG1-CG 4.49Å; V131-R135 WeakPolarHBondContact O-CB 3.38Å; V131-R135 WeakPolarHBondContact O-CD 3.33Å; V131-R135 WeakPolarHBondContact O-CG 2.78Å; V131-R135 PolarHBondContact O-N 3.37Å; V131-R135 VanDerWaalsContact O-N 3.1Å; L132-R135 PolarHBondContact O-N 3.11Å; H133-R135 VanDerWaalsContact C-N 3.35Å; H133-R135 PolarHBondContact O-N 3.08Å; R135-G139 PolarHBondContact O-N 3.11Å
136L96.1Very high94Very high6 Ų641.3 Ų41.33%0.03122%0.218CC..Hα-helixtrans-73.1-35.5173.4-72.3164.8000112.2V15 L132 H133 I134 G139 S140 V162 V183 L184 L185 P186V15-L136 HydrophobicContact CG1-CD2 4.46Å; V15-L136 HydrophobicContact CG2-CD2 4.48Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CD1 3.35Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.08Å; H133-L136 PolarHBondContact O-N 3.37Å; H133-L136 VanDerWaalsContact O-N 3.16Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.39Å; L136-G139 PolarHBondContact O-N 3.43Å; L136-S140 PolarHBondContact O-N 2.93Å; L136-V162 HydrophobicContact CD2-CG1 4.26Å; L136-V183 HydrophobicContact CB-CG2 3.78Å; L136-L184 WeakPolarHBondContact CD1-O 3.27Å; L136-L185 HydrophobicContact CB-CD2 4.3Å; L136-L185 HydrophobicContact CD1-CD2 4.18Å; L136-P186 HydrophobicContact CD1-CG 4.43Å
137L95.4Very high94Very high2 Ų240 Ų401%0.0121%0.209CC..Hα-helixtrans-65.7-43.1172.7-65.2-167.1000112V114 V116 I126 L128 H133 I134 G139 S140 Q141 V183V114-L137 HydrophobicContact CG1-CB 3.9Å; V114-L137 HydrophobicContact CG1-CD1 4.22Å; V116-L137 HydrophobicContact CB-CD2 4.32Å; V116-L137 HydrophobicContact CG1-CD2 4.14Å; V116-L137 HydrophobicContact CG2-CD1 4.02Å; V116-L137 HydrophobicContact CG2-CD2 3.81Å; I126-L137 HydrophobicContact CD1-CD1 4.46Å; I126-L137 HydrophobicContact CG2-CD1 3.82Å; L128-L137 HydrophobicContact CD2-CD1 4.37Å; H133-L137 WeakPolarHBondContact O-CG 3.4Å; H133-L137 PolarHBondContact O-N 2.99Å; I134-L137 PolarHBondContact O-N 3.47Å; I134-L137 VanDerWaalsContact O-N 3.14Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 2.96Å; L137-S140 WeakPolarHBondContact O-CA 3.46Å; L137-S140 VanDerWaalsContact O-CB 3.27Å; L137-S140 WeakPolarHBondContact O-CB 3.33Å; L137-S140 PolarHBondContact O-N 2.97Å; L137-S140 PolarHBondContact O-OG 2.75Å; L137-Q141 PolarHBondContact O-N 3.37Å; L137-V183 HydrophobicContact CD2-CG1 4.18Å
138V93Very high94.1Very high24 Ų2442.3 Ų42.315%0.14522%0.217CC..Hα-helixtrans-57.1-43.2171.1169.60000111.3L111 V114 I134 S140 Q141 I142L111-V138 HydrophobicContact CD1-CG1 4.08Å; L111-V138 HydrophobicContact CD2-CB 4.11Å; L111-V138 HydrophobicContact CD2-CG1 3.58Å; L111-V138 HydrophobicContact CD2-CG2 3.38Å; L111-V138 HydrophobicContact CG-CG1 4.43Å; V114-V138 HydrophobicContact CG1-CG2 4.36Å; V114-V138 HydrophobicContact CG2-CG2 4.14Å; I134-V138 WeakPolarHBondContact O-CG2 3.47Å; I134-V138 PolarHBondContact O-N 3.18Å; V138-S140 PolarHBondContact O-N 2.85Å; V138-Q141 PolarHBondContact O-N 3.22Å; V138-Q141 VanDerWaalsContact O-N 3.16Å; V138-I142 HydrophobicContact CG1-CD1 3.98Å; V138-I142 WeakPolarHBondContact O-CG1 3.29Å; V138-I142 PolarHBondContact O-N 2.74Å; V138-I142 VanDerWaalsContact O-N 3.09Å
139G94.5Very high94.1Very high4 Ų438.2 Ų38.24%0.04120%0.2CC..Hα-helixtrans-59-30.6171.400000113.8R135 L136 L137 A143R135-G139 PolarHBondContact O-N 3.11Å; L136-G139 PolarHBondContact O-N 3.43Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 2.96Å; G139-A143 VanDerWaalsContact O-CB 3.27Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.78Å
140S96.7Very high94.2Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-72-39.1174.486.60000112.7S117 L136 L137 V138 A143 A144 Q181S117-S140 WeakPolarHBondContact CB-O 3.24Å; S117-S140 PolarHBondContact N-OG 2.9Å; L136-S140 PolarHBondContact O-N 2.93Å; L137-S140 WeakPolarHBondContact O-CA 3.46Å; L137-S140 VanDerWaalsContact O-CB 3.27Å; L137-S140 WeakPolarHBondContact O-CB 3.33Å; L137-S140 PolarHBondContact O-N 2.97Å; L137-S140 PolarHBondContact O-OG 2.75Å; V138-S140 PolarHBondContact O-N 2.85Å; S140-A143 PolarHBondContact O-N 3.32Å; S140-A144 PolarHBondContact O-N 3.11Å; S140-Q181 PolarHBondContact O-NE2 2.95Å
141Q93.7Very high94.4Very high14 Ų1435 Ų357%0.06518%0.175CC..Hα-helixtrans-61.6-51175.4-63.4174.5-50.800110.2A113 T115 L137 V138 A143 A144 E145A113-Q141 PolarHBondContact O-NE2 3.33Å; T115-Q141 WeakPolarHBondContact O-CG 3.35Å; T115-Q141 PolarHBondContact OG1-NE2 2.9Å; L137-Q141 PolarHBondContact O-N 3.37Å; V138-Q141 PolarHBondContact O-N 3.22Å; V138-Q141 VanDerWaalsContact O-N 3.16Å; Q141-A143 VanDerWaalsContact C-N 3.28Å; Q141-A143 PolarHBondContact O-N 2.9Å; Q141-A144 WeakPolarHBondContact O-CA 3.45Å; Q141-A144 WeakPolarHBondContact O-CB 3.47Å; Q141-A144 PolarHBondContact O-N 3.37Å; Q141-E145 PolarHBondContact O-N 2.56Å
142I92.2Very high94.6Very high30 Ų3037 Ų3715%0.15418%0.183CC..Hα-helixtrans-58.4-39.5175.9-64.8165.6000111.5L106 V138 A144 E145 M146L106-I142 HydrophobicContact CD1-CD1 4.24Å; L106-I142 HydrophobicContact CD1-CG1 4.42Å; L106-I142 HydrophobicContact CD1-CG2 3.69Å; L106-I142 HydrophobicContact CD2-CD1 4.13Å; L106-I142 HydrophobicContact CD2-CG1 4.05Å; V138-I142 HydrophobicContact CG1-CD1 3.98Å; V138-I142 WeakPolarHBondContact O-CG1 3.29Å; V138-I142 PolarHBondContact O-N 2.74Å; V138-I142 VanDerWaalsContact O-N 3.09Å; I142-A144 VanDerWaalsContact C-N 3.3Å; I142-A144 PolarHBondContact O-N 2.89Å; I142-E145 PolarHBondContact O-N 3.17Å; I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 4.25Å; I142-M146 VanDerWaalsContact O-CG 3.31Å; I142-M146 WeakPolarHBondContact O-CG 3.24Å; I142-M146 PolarHBondContact O-N 2.77Å
143A95.3Very high94.6Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-66.3-29.8175.900000113.4V17 G139 S140 Q141 R147 A160 V162V17-A143 HydrophobicContact CG1-CB 3.73Å; V17-A143 HydrophobicContact CG2-CB 4.32Å; G139-A143 VanDerWaalsContact O-CB 3.27Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.78Å; S140-A143 PolarHBondContact O-N 3.32Å; Q141-A143 VanDerWaalsContact C-N 3.28Å; Q141-A143 PolarHBondContact O-N 2.9Å; A143-R147 WeakPolarHBondContact O-CD 3.19Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.37Å; A143-R147 PolarHBondContact O-N 3.47Å; A143-A160 HydrophobicContact CB-CB 4.05Å; A143-V162 HydrophobicContact CB-CG2 3.85Å
144A95.6Very high94.6Very high26 Ų2642 Ų4222%0.21521%0.206CC..Hα-helixtrans-73.7-47174.100000111.3S140 Q141 I142 M146 R147 E148 Q181S140-A144 PolarHBondContact O-N 3.11Å; Q141-A144 WeakPolarHBondContact O-CA 3.45Å; Q141-A144 WeakPolarHBondContact O-CB 3.47Å; Q141-A144 PolarHBondContact O-N 3.37Å; I142-A144 VanDerWaalsContact C-N 3.3Å; I142-A144 PolarHBondContact O-N 2.89Å; A144-M146 VanDerWaalsContact C-N 3.3Å; A144-M146 PolarHBondContact O-N 2.82Å; A144-R147 PolarHBondContact O-N 3.23Å; A144-E148 PolarHBondContact O-N 2.87Å; A144-Q181 VanDerWaalsContact CA-OE1 3.31Å
145E92.2Very high94.7Very high71 Ų7141.8 Ų41.833%0.33221%0.213SC..Hα-helixtrans-53.8-46.1173.5-66.9170.4-155.500111.9R102 Q141 I142 R147 E148 A149R102-E145 IonicContact CZ-OE2 1.8Å; R102-E145 VanDerWaalsContact CZ-OE2 3.25Å; R102-E145 IonicContact NE-OE2 3.84Å; R102-E145 PolarHBondContact NE-OE2 3.42Å; R102-E145 IonicContact NH2-OE1 3.94Å; R102-E145 IonicContact NH2-OE2 3.73Å; R102-E145 PolarHBondContact NH2-OE2 3.45Å; Q141-E145 PolarHBondContact O-N 2.56Å; I142-E145 PolarHBondContact O-N 3.17Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 2.97Å; E145-E148 PolarHBondContact O-N 3.17Å; E145-A149 VanDerWaalsContact O-CB 3.32Å; E145-A149 WeakPolarHBondContact O-CB 3.21Å; E145-A149 PolarHBondContact O-N 3.21Å
146M92.4Very high94.9Very high14 Ų1439.3 Ų39.37%0.06920%0.204CC..Hα-helixtrans-61.7-39.3177.2-74.2178.7177.600112V99 R102 L103 L106 I142 A144 M150V99-M146 HydrophobicContact CG1-CE 4.1Å; V99-M146 HydrophobicContact CG1-SD 4.2Å; R102-M146 HydrophobicContact CB-CE 4.45Å; R102-M146 HydrophobicContact CG-CE 4.26Å; L103-M146 HydrophobicContact CD2-CE 3.99Å; L103-M146 HydrophobicContact CG-CE 4.46Å; L106-M146 HydrophobicContact CD1-CE 4.38Å; I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 4.25Å; I142-M146 VanDerWaalsContact O-CG 3.31Å; I142-M146 WeakPolarHBondContact O-CG 3.24Å; I142-M146 PolarHBondContact O-N 2.77Å; A144-M146 VanDerWaalsContact C-N 3.3Å; A144-M146 PolarHBondContact O-N 2.82Å; M146-M150 WeakPolarHBondContact O-CE 3.39Å; M146-M150 VanDerWaalsContact O-CG 3.32Å; M146-M150 WeakPolarHBondContact O-CG 3.29Å; M146-M150 PolarHBondContact O-N 3.34Å
147R95.7Very high94.9Very high40 Ų4040.5 Ų40.515%0.15121%0.211CC..Hα-helixtrans-70.3-39.9177.6-75.2171.760.8-114.3-14.5112.5A143 A144 E145 M150 Y151 G158 A160 N179A143-R147 WeakPolarHBondContact O-CD 3.19Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.37Å; A143-R147 PolarHBondContact O-N 3.47Å; A144-R147 PolarHBondContact O-N 3.23Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 2.97Å; R147-M150 HydrophobicContact CB-CE 4.39Å; R147-M150 HydrophobicContact CG-CE 3.95Å; R147-Y151 PolarHBondContact O-N 2.93Å; R147-Y151 VanDerWaalsContact O-N 3.1Å; R147-G158 PolarHBondContact NE-O 3.28Å; R147-A160 HydrophobicContact CG-CB 4.43Å; R147-N179 PolarHBondContact NH2-O 2.92Å; R147-N179 PolarHBondContact NH2-OD1 3.35Å
148E95.3Very high95Very high121 Ų12140.5 Ų40.557%0.56521%0.211SC*.Hα-helixtrans-65.4-44.3174.1178.7167.8-172.400111.5A144 E145 M150 Y151 N152A144-E148 PolarHBondContact O-N 2.87Å; E145-E148 PolarHBondContact O-N 3.17Å; E148-M150 PolarHBondContact O-N 2.68Å; E148-Y151 PolarHBondContact O-N 3.49Å; E148-N152 VanDerWaalsContact CG-ND2 3.26Å; E148-N152 WeakPolarHBondContact CG-ND2 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 VanDerWaalsContact O-CG 3.32Å; E148-N152 PolarHBondContact O-N 2.94Å; E148-N152 PolarHBondContact OE1-ND2 3.33Å
149A93.1Very high95.3Very high28 Ų2839.3 Ų39.323%0.23120%0.204CC..Hα-helixtrans-60.7-43.1176.200000112.4M98 E145 Y151 N152 Q153M98-A149 VanDerWaalsContact SD-C 3.5Å; M98-A149 HydrophobicContact SD-CB 3.78Å; E145-A149 VanDerWaalsContact O-CB 3.32Å; E145-A149 WeakPolarHBondContact O-CB 3.21Å; E145-A149 PolarHBondContact O-N 3.21Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 3.03Å; A149-N152 PolarHBondContact O-N 3.2Å; A149-Q153 WeakPolarHBondContact O-CB 3.45Å; A149-Q153 WeakPolarHBondContact O-CG 3.24Å; A149-Q153 PolarHBondContact O-N 2.67Å
150M94.5Very high95.4Very high1 Ų139.1 Ų39.11%0.00520%0.202CC..Hα-helixtrans-61.2-39174.5-75.9-174.7-61.600112.4V19 L21 V95 M98 M146 R147 E148 L154 G155 L156V19-M150 HydrophobicContact CG1-CE 3.74Å; V19-M150 HydrophobicContact CG1-SD 4.2Å; L21-M150 HydrophobicContact CD2-CE 4.47Å; L21-M150 HydrophobicContact CD2-SD 3.96Å; V95-M150 HydrophobicContact CG1-SD 3.73Å; V95-M150 HydrophobicContact CG2-SD 4.49Å; M98-M150 HydrophobicContact SD-CB 4.37Å; M98-M150 HydrophobicContact SD-CG 3.81Å; M98-M150 PolarHBondContact SD-N 2.96Å; M146-M150 WeakPolarHBondContact O-CE 3.39Å; M146-M150 VanDerWaalsContact O-CG 3.32Å; M146-M150 WeakPolarHBondContact O-CG 3.29Å; M146-M150 PolarHBondContact O-N 3.34Å; R147-M150 HydrophobicContact CB-CE 4.39Å; R147-M150 HydrophobicContact CG-CE 3.95Å; E148-M150 PolarHBondContact O-N 2.68Å; M150-L154 WeakPolarHBondContact O-CA 3.49Å; M150-L154 WeakPolarHBondContact O-CB 3.43Å; M150-L154 PolarHBondContact O-N 2.89Å; M150-G155 PolarHBondContact O-N 2.92Å; M150-L156 PolarHBondContact O-N 3.37Å
151Y96.8Very high95.5Very high135 Ų13539.1 Ų39.153%0.52920%0.202SC..Hα-helixtrans-70-51.1177.1-176.3-108.1000111.7R147 E148 A149 Q153 G155 L156 T157R147-Y151 PolarHBondContact O-N 2.93Å; R147-Y151 VanDerWaalsContact O-N 3.1Å; E148-Y151 PolarHBondContact O-N 3.49Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 3.03Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.26Å; Y151-G155 VanDerWaalsContact O-CA 3.24Å; Y151-G155 WeakPolarHBondContact O-CA 3.07Å; Y151-G155 PolarHBondContact O-N 3.38Å; Y151-L156 WeakPolarHBondContact CA-O 3.42Å; Y151-L156 WeakPolarHBondContact CB-O 3.22Å; Y151-L156 PolarHBondContact N-O 2.87Å; Y151-T157 HydrophobicContact CD2-CG2 3.57Å; Y151-T157 HydrophobicContact CE2-CG2 3.98Å; Y151-T157 HydrophobicContact CG-CG2 4.49Å
152N96.3Very high95.8Very high107 Ų10738.5 Ų38.557%0.57220%0.2SC*.Hα-helixtrans-67.7-28.6-175-69.1-13.2000113.2E148 A149E148-N152 VanDerWaalsContact CG-ND2 3.26Å; E148-N152 WeakPolarHBondContact CG-ND2 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 VanDerWaalsContact O-CG 3.32Å; E148-N152 PolarHBondContact O-N 2.94Å; E148-N152 PolarHBondContact OE1-ND2 3.33Å; A149-N152 PolarHBondContact O-N 3.2Å
153Q94.7Very high96.1Very high138 Ų13837.1 Ų37.165%0.64519%0.192SC*.Hα-helixtrans-101.2-27.9-178.6-61.6178.239.300114.5M98 A149 Y151M98-Q153 HydrophobicContact CE-CB 3.7Å; M98-Q153 HydrophobicContact CE-CG 4.33Å; A149-Q153 WeakPolarHBondContact O-CB 3.45Å; A149-Q153 WeakPolarHBondContact O-CG 3.24Å; A149-Q153 PolarHBondContact O-N 2.67Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.26Å
154L95.3Very high96.1Very high30 Ų3039.3 Ų39.316%0.15721%0.208CC..Hα-helixtrans-125.4-3.5-174-57.7174.3000114.2M91 K94 V95 M98 M150 L156M91-L154 HydrophobicContact SD-CB 4.11Å; M91-L154 HydrophobicContact SD-CD1 4.17Å; M91-L154 HydrophobicContact SD-CD2 4.08Å; M91-L154 HydrophobicContact SD-CG 4.35Å; K94-L154 HydrophobicContact CB-CD1 3.93Å; K94-L154 HydrophobicContact CB-CD2 3.96Å; K94-L154 HydrophobicContact CD-CD2 3.98Å; V95-L154 HydrophobicContact CG2-CD1 3.67Å; M98-L154 HydrophobicContact CE-CD1 3.57Å; M98-L154 HydrophobicContact CE-CG 3.72Å; M150-L154 WeakPolarHBondContact O-CA 3.49Å; M150-L154 WeakPolarHBondContact O-CB 3.43Å; M150-L154 PolarHBondContact O-N 2.89Å; L154-L156 HydrophobicContact CB-CB 4.46Å; L154-L156 HydrophobicContact CB-CD1 3.89Å; L154-L156 HydrophobicContact CB-CG 3.92Å; L154-L156 HydrophobicContact CD1-CD1 3.96Å; L154-L156 PolarHBondContact O-N 3.13Å
155G96.1Very high96.2Very high35 Ų3538.7 Ų38.736%0.36120%0.201SC..  trans69.27.7-174.100000114.3M150 Y151M150-G155 PolarHBondContact O-N 2.92Å; Y151-G155 VanDerWaalsContact O-CA 3.24Å; Y151-G155 WeakPolarHBondContact O-CA 3.07Å; Y151-G155 PolarHBondContact O-N 3.38Å
156L97.4Very high96.5Very high0 Ų037.1 Ų37.10%019%0.193CC..  trans-85.2145.4-174.4-66.5172.6000111.6L21 F24 Q27 I31 M91 V95 M150 Y151 L154L21-L156 HydrophobicContact CD1-CD1 4.35Å; F24-L156 HydrophobicContact CE2-CD2 4.49Å; Q27-L156 HydrophobicContact CG-CD2 4.23Å; Q27-L156 VanDerWaalsContact OE1-CA 3.3Å; Q27-L156 VanDerWaalsContact OE1-CD2 3.24Å; I31-L156 HydrophobicContact CD1-CD2 3.72Å; I31-L156 HydrophobicContact CD1-CG 4.35Å; M91-L156 HydrophobicContact CG-CD1 3.78Å; M91-L156 HydrophobicContact CG-CD2 4.27Å; M91-L156 HydrophobicContact CG-CG 4.46Å; M91-L156 HydrophobicContact SD-CD1 3.89Å; M91-L156 HydrophobicContact SD-CG 4.4Å; V95-L156 HydrophobicContact CG2-CD1 3.31Å; M150-L156 PolarHBondContact O-N 3.37Å; Y151-L156 WeakPolarHBondContact CA-O 3.42Å; Y151-L156 WeakPolarHBondContact CB-O 3.22Å; Y151-L156 PolarHBondContact N-O 2.87Å; L154-L156 HydrophobicContact CB-CB 4.46Å; L154-L156 HydrophobicContact CB-CD1 3.89Å; L154-L156 HydrophobicContact CB-CG 3.92Å; L154-L156 HydrophobicContact CD1-CD1 3.96Å; L154-L156 PolarHBondContact O-N 3.13Å
157T97.8Very high96.7Very high31 Ų3136.7 Ų36.719%0.1919%0.191CC..  trans-122.9154.2168.355.30000110.1D22 Q27 Y151D22-T157 WeakPolarHBondContact CB-O 3.43Å; D22-T157 PolarHBondContact N-O 2.8Å; Q27-T157 PolarHBondContact NE2-O 3.46Å; Q27-T157 PolarHBondContact NE2-OG1 2.92Å; Q27-T157 PolarHBondContact OE1-O 3.1Å; Y151-T157 HydrophobicContact CD2-CG2 3.57Å; Y151-T157 HydrophobicContact CE2-CG2 3.98Å; Y151-T157 HydrophobicContact CG-CG2 4.49Å
158G97Very high96.9Very high1 Ų135 Ų351%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-168.4167-176.900000111.6D20 D22 R147 N179D20-G158 WeakPolarHBondContact O-CA 3.26Å; D22-G158 WeakPolarHBondContact OD2-CA 3.42Å; R147-G158 PolarHBondContact NE-O 3.28Å; G158-N179 PolarHBondContact O-OD1 2.88Å
159C98.1Very high97Very high0 Ų029.2 Ų29.20%016%0.158CC..EExtended strand (participates in β ladder)trans-96.9151.8177.6-53.80000110.6V19 D20 D22 K177 N179 Q180V19-C159 WeakPolarHBondContact CA-O 3.22Å; D20-C159 PolarHBondContact N-O 3.2Å; D20-C159 PolarHBondContact O-N 3.22Å; D22-C159 PolarHBondContact OD2-SG 2.85Å; C159-K177 HydrophobicContact CB-CG 4.49Å; C159-K177 VanDerWaalsContact SG-CG 3.59Å; C159-N179 PolarHBondContact SG-N 3Å; C159-N179 VanDerWaalsContact SG-N 3.45Å; C159-Q180 WeakPolarHBondContact CA-O 3.19Å; C159-Q180 WeakPolarHBondContact CB-O 3.3Å
160A98.4Very high97.3Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-129.2144.7172.300000112.5V17 H18 A143 R147 Q180 Q181 T182V17-A160 HydrophobicContact CG1-CB 4.32Å; H18-A160 CarbonylContact O-C 3.55Å; H18-A160 VanDerWaalsContact O-CA 3.29Å; H18-A160 WeakPolarHBondContact O-CA 3.06Å; A143-A160 HydrophobicContact CB-CB 4.05Å; R147-A160 HydrophobicContact CG-CB 4.43Å; A160-Q180 PolarHBondContact N-O 2.95Å; A160-Q181 HydrophobicContact CB-CB 3.95Å; A160-Q181 CarbonylContact O-C 3.58Å; A160-Q181 WeakPolarHBondContact O-CA 3.26Å; A160-Q181 VanDerWaalsContact O-CB 3.32Å; A160-Q181 WeakPolarHBondContact O-CB 3.4Å; A160-T182 PolarHBondContact O-N 2.7Å
161G98.5Very high97.5Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-125.8131.7173.900000110.8V17 H18 S173 T182V17-G161 CarbonylContact C-O 3.59Å; V17-G161 WeakPolarHBondContact CA-O 3.49Å; H18-G161 PolarHBondContact N-O 2.88Å; H18-G161 PolarHBondContact O-N 2.91Å; G161-S173 VanDerWaalsContact N-CB 3.29Å; G161-T182 WeakPolarHBondContact CA-O 3.24Å
162V98.6Very high97.5Very high1 Ų125.6 Ų25.61%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-117.7122.9-176.9-172.60000109.6V15 I16 V17 L136 A143 T182 V183 L184V15-V162 HydrophobicContact CG1-CG1 3.95Å; I16-V162 WeakPolarHBondContact O-CA 3.27Å; V17-V162 HydrophobicContact CG1-CG2 4.46Å; V17-V162 HydrophobicContact CG2-CG2 4.2Å; L136-V162 HydrophobicContact CD2-CG1 4.26Å; A143-V162 HydrophobicContact CB-CG2 3.85Å; V162-T182 PolarHBondContact N-O 3.21Å; V162-V183 HydrophobicContact CB-CB 4.31Å; V162-V183 HydrophobicContact CB-CG2 4.17Å; V162-V183 HydrophobicContact CG1-CG2 4.36Å; V162-L184 PolarHBondContact O-N 3.31Å
163A98.3Very high97.6Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-155.6-178.7-178.900000112.3I16 N165 L168 A169 L184I16-A163 PolarHBondContact N-O 2.88Å; I16-A163 PolarHBondContact O-N 3.2Å; A163-N165 PolarHBondContact O-N 2.98Å; A163-L168 HydrophobicContact CB-CB 3.58Å; A163-A169 HydrophobicContact CB-CB 4.08Å; A163-L184 HydrophobicContact CB-CB 4.08Å; A163-L184 HydrophobicContact CB-CD2 4.24Å
164S97.1Very high97.7Very high47 Ų4716 Ų1633%0.32910%0.103SC..SBendtrans-77.9-13.2-178.658.70000115.6R14R14-S164 WeakPolarHBondContact O-CA 3.4Å
165N97.2Very high97.8Very high12 Ų1217.5 Ų17.56%0.06411%0.113CC..SBendtrans-151.8170.8177.468.551.2000112.1A163 L167 L168 A169 G250 D252A163-N165 PolarHBondContact O-N 2.98Å; N165-L167 WeakPolarHBondContact OD1-CB 3.4Å; N165-L167 PolarHBondContact OD1-N 3.26Å; N165-L168 WeakPolarHBondContact ND2-CD1 3.49Å; N165-L168 WeakPolarHBondContact OD1-CB 3.29Å; N165-L168 WeakPolarHBondContact OD1-CG 3.3Å; N165-L168 PolarHBondContact OD1-N 3.05Å; N165-A169 VanDerWaalsContact O-CB 3.28Å; N165-A169 WeakPolarHBondContact O-CB 3.44Å; N165-A169 PolarHBondContact O-N 3.26Å; N165-G250 PolarHBondContact ND2-O 3.14Å; N165-D252 HydrophobicContact CB-CB 4.12Å; N165-D252 WeakPolarHBondContact CB-O 3.36Å
166K97.4Very high97.9Very high39 Ų3919 Ų1917%0.1711%0.11CC..Hα-helixtrans-71.4-36.2-173.7-54.6174.8-63.8-176.60113I16 K170 D252 S254 P255 V256I16-K166 HydrophobicContact CG2-CB 4.46Å; I16-K166 HydrophobicContact CG2-CG 4.01Å; K166-K170 WeakPolarHBondContact O-CB 3.34Å; K166-K170 PolarHBondContact O-N 2.9Å; K166-D252 WeakPolarHBondContact CB-OD2 3.29Å; K166-D252 VanDerWaalsContact CE-OD2 3.25Å; K166-D252 WeakPolarHBondContact CE-OD2 3.31Å; K166-S254 WeakPolarHBondContact CE-O 3.49Å; K166-S254 WeakPolarHBondContact CE-OG 3.47Å; K166-S254 PolarHBondContact NZ-OG 3.1Å; K166-P255 WeakPolarHBondContact CE-O 3.4Å; K166-P255 PolarHBondContact NZ-O 3.48Å; K166-V256 HydrophobicContact CD-CG2 4.17Å; K166-V256 HydrophobicContact CG-CG2 4.19Å
167L98.2Very high97.8Very high5 Ų522.2 Ų22.23%0.02612%0.124CC..Hα-helixtrans-54.5-57.7173.9166.365.1000110.2N165 K170 L171 I193 I202 P203 L247 D252N165-L167 WeakPolarHBondContact OD1-CB 3.4Å; N165-L167 PolarHBondContact OD1-N 3.26Å; L167-K170 PolarHBondContact O-N 3.02Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.25Å; L167-L171 WeakPolarHBondContact O-CG 3.27Å; L167-L171 PolarHBondContact O-N 3.16Å; L167-I193 HydrophobicContact CD2-CD1 4.34Å; L167-I202 HydrophobicContact CD1-CG2 4.19Å; L167-P203 HydrophobicContact CD1-CB 4.17Å; L167-P203 HydrophobicContact CD1-CG 3.98Å; L167-L247 HydrophobicContact CB-CD2 4.28Å; L167-L247 HydrophobicContact CD1-CD2 4.5Å; L167-L247 HydrophobicContact CD2-CB 4.14Å; L167-L247 HydrophobicContact CD2-CD2 3.74Å; L167-L247 WeakPolarHBondContact CD2-O 3.45Å; L167-L247 HydrophobicContact CG-CD2 4.39Å; L167-D252 HydrophobicContact CB-CB 3.71Å; L167-D252 PolarHBondContact N-OD2 3.42Å
168L98.5Very high97.7Very high3 Ų323.4 Ų23.42%0.01613%0.133CC..Hα-helixtrans-66.1-40.1-176.8-65.9176.2000112.1A163 N165 K170 L171 V172 L184 L192 I193A163-L168 HydrophobicContact CB-CB 3.58Å; N165-L168 WeakPolarHBondContact ND2-CD1 3.49Å; N165-L168 WeakPolarHBondContact OD1-CB 3.29Å; N165-L168 WeakPolarHBondContact OD1-CG 3.3Å; N165-L168 PolarHBondContact OD1-N 3.05Å; L168-K170 VanDerWaalsContact C-N 3.32Å; L168-K170 PolarHBondContact O-N 3.15Å; L168-L171 PolarHBondContact O-N 2.91Å; L168-V172 WeakPolarHBondContact O-CB 3.26Å; L168-V172 PolarHBondContact O-N 3.39Å; L168-L184 HydrophobicContact CB-CD2 3.76Å; L168-L184 HydrophobicContact CD1-CD2 4.02Å; L168-L184 HydrophobicContact CD2-CD2 3.95Å; L168-L184 HydrophobicContact CG-CD2 4.12Å; L168-L192 HydrophobicContact CD2-CD2 4.35Å; L168-I193 HydrophobicContact CD2-CD1 3.89Å; L168-I193 HydrophobicContact CD2-CG1 3.94Å
169A98.5Very high97.7Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-61.7-42.217600000111.1I16 H18 A163 N165 S173I16-A169 HydrophobicContact CB-CB 4.23Å; I16-A169 HydrophobicContact CG2-CB 3.93Å; I16-A169 WeakPolarHBondContact O-CB 3.3Å; H18-A169 HydrophobicContact CB-CB 3.85Å; A163-A169 HydrophobicContact CB-CB 4.08Å; N165-A169 VanDerWaalsContact O-CB 3.28Å; N165-A169 WeakPolarHBondContact O-CB 3.44Å; N165-A169 PolarHBondContact O-N 3.26Å; A169-S173 WeakPolarHBondContact O-CB 3.21Å; A169-S173 PolarHBondContact O-N 2.91Å
170K98.4Very high97.8Very high66 Ų6629.9 Ų29.929%0.28717%0.165SC..Hα-helixtrans-65.8-41.6176.8-177.3161.8-170.361.10112.7H18 K166 L167 L168 S173 P203H18-K170 PolarHBondContact CE1-NZ 2.73Å; H18-K170 PolarHBondContact NE2-NZ 2.98Å; K166-K170 WeakPolarHBondContact O-CB 3.34Å; K166-K170 PolarHBondContact O-N 2.9Å; L167-K170 PolarHBondContact O-N 3.02Å; L168-K170 VanDerWaalsContact C-N 3.32Å; L168-K170 PolarHBondContact O-N 3.15Å; K170-S173 PolarHBondContact O-OG 2.79Å; K170-P203 HydrophobicContact CD-CB 4.2Å; K170-P203 HydrophobicContact CD-CG 4.05Å; K170-P203 HydrophobicContact CG-CG 4.2Å
171L98.4Very high97.8Very high23 Ų2330 Ų3012%0.1217%0.165CC..Hα-helixtrans-65.1-50.2175.9-70.4177.5000111.4L167 L168 S173 G174 L192 I193 L196 P203L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.25Å; L167-L171 WeakPolarHBondContact O-CG 3.27Å; L167-L171 PolarHBondContact O-N 3.16Å; L168-L171 PolarHBondContact O-N 2.91Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.48Å; L171-G174 PolarHBondContact O-N 3.43Å; L171-L192 HydrophobicContact CB-CD1 4.48Å; L171-L192 HydrophobicContact CB-CD2 3.85Å; L171-L192 HydrophobicContact CB-CG 4.23Å; L171-I193 HydrophobicContact CD1-CD1 3.78Å; L171-L196 HydrophobicContact CD1-CD1 4.08Å; L171-L196 HydrophobicContact CD2-CD1 4.12Å; L171-L196 HydrophobicContact CD2-CD2 4.05Å; L171-P203 HydrophobicContact CD2-CG 4.15Å; L171-P203 HydrophobicContact CG-CG 4.5Å
172V98.5Very high97.8Very high0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-70.6-25.6-174.5880000113.3Y121 L168 G174 V175 T182 L184 L192Y121-V172 HydrophobicContact CD2-CG2 4.02Å; Y121-V172 HydrophobicContact CG-CG2 4.03Å; L168-V172 WeakPolarHBondContact O-CB 3.26Å; L168-V172 PolarHBondContact O-N 3.39Å; V172-G174 PolarHBondContact O-N 2.97Å; V172-V175 HydrophobicContact CG2-CG2 4.32Å; V172-V175 PolarHBondContact O-N 2.53Å; V172-T182 HydrophobicContact CG2-CG2 3.65Å; V172-T182 WeakPolarHBondContact O-CB 3.48Å; V172-T182 PolarHBondContact O-OG1 3.15Å; V172-L184 HydrophobicContact CB-CB 4.21Å; V172-L184 HydrophobicContact CG1-CB 4.21Å; V172-L184 HydrophobicContact CG2-CB 3.98Å; V172-L192 HydrophobicContact CB-CD2 3.91Å; V172-L192 HydrophobicContact CG2-CD2 4.23Å
173S98.1Very high97.8Very high2 Ų230.1 Ų30.11%0.01417%0.166CC..THydrogen-bonded Turntrans-64.3-14.3169.977.40000113.9H18 G161 A169 K170 L171 K177H18-S173 PolarHBondContact ND1-OG 3.22Å; G161-S173 VanDerWaalsContact N-CB 3.29Å; A169-S173 WeakPolarHBondContact O-CB 3.21Å; A169-S173 PolarHBondContact O-N 2.91Å; K170-S173 PolarHBondContact O-OG 2.79Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.48Å; S173-K177 VanDerWaalsContact O-CE 3.3Å; S173-K177 WeakPolarHBondContact O-CE 3.45Å
174G95.9Very high97.8Very high40 Ų4030.3 Ų30.341%0.41217%0.167SC..THydrogen-bonded Turntrans-84.3-20.8178.900000114.7L171 V172L171-G174 PolarHBondContact O-N 3.43Å; V172-G174 PolarHBondContact O-N 2.97Å
175V97.5Very high97.8Very high62 Ų6228.1 Ų28.138%0.37615%0.152SC..THydrogen-bonded Turntrans-72.7-49.3-162.9-1790000112.7Y121 V172 L192Y121-V175 HydrophobicContact CD2-CG1 4.16Å; Y121-V175 HydrophobicContact CD2-CG2 3.99Å; Y121-V175 HydrophobicContact CE2-CG1 4.16Å; Y121-V175 HydrophobicContact CE2-CG2 3.93Å; V172-V175 HydrophobicContact CG2-CG2 4.32Å; V172-V175 PolarHBondContact O-N 2.53Å; V175-L192 HydrophobicContact CG2-CD1 4.14Å
176F97.6Very high97.8Very high66 Ų6630 Ų3029%0.28916%0.164SC..SBendtrans-110.9113.6179.3-66.6-82.4000110.3H119 Q180 T182H119-F176 HydrophobicContact CB-CD2 3.83Å; H119-F176 HydrophobicContact CB-CE2 3.72Å; H119-F176 HydrophobicContact CB-CZ 4.35Å; H119-F176 AromaticContact CD2-CD1 3.73Å; H119-F176 AromaticContact CD2-CD2 3.49Å; H119-F176 VanDerWaalsContact CD2-CD2 3.49Å; H119-F176 WeakPolarHBondContact CD2-CD2 3.47Å; H119-F176 AromaticContact CD2-CE2 4Å; H119-F176 AromaticContact CD2-CG 3.34Å; H119-F176 WeakPolarHBondContact CD2-CG 3.29Å; H119-F176 AromaticContact CG-CD2 3.77Å; H119-F176 AromaticContact CG-CE2 3.83Å; H119-F176 AromaticContact NE2-CD1 3.67Å; H119-F176 AromaticContact NE2-CG 3.74Å; F176-Q180 HydrophobicContact CB-CB 3.87Å; F176-T182 HydrophobicContact CD2-CG2 3.91Å; F176-T182 HydrophobicContact CE2-CG2 4.09Å
177K95.4Very high97.8Very high68 Ų6832.3 Ų32.330%0.29618%0.176SC..THydrogen-bonded Turntrans-140.3153.6179.3-58.2-152.9174.3-120.40111.2D20 C159 S173D20-K177 IonicContact OD2-NZ 3.02Å; D20-K177 PolarHBondContact OD2-NZ 3.28Å; C159-K177 HydrophobicContact CB-CG 4.49Å; C159-K177 VanDerWaalsContact SG-CG 3.59Å; S173-K177 VanDerWaalsContact O-CE 3.3Å; S173-K177 WeakPolarHBondContact O-CE 3.45Å
178P96.6Very high97.8Very high57 Ų5732.2 Ų32.237%0.3718%0.176SC..THydrogen-bonded Turncis-76.6172.6-7.633.2-36.5000113Y54 Q180Y54-P178 HydrophobicContact CD1-CB 4.38Å; Y54-P178 HydrophobicContact CD1-CG 4.36Å; Y54-P178 HydrophobicContact CD2-CB 4.09Å; Y54-P178 HydrophobicContact CE1-CB 4.04Å; Y54-P178 HydrophobicContact CE1-CG 4.4Å; Y54-P178 HydrophobicContact CE2-CB 3.73Å; Y54-P178 HydrophobicContact CG-CB 4.4Å; Y54-P178 HydrophobicContact CG-CG 4.43Å; P178-Q180 VanDerWaalsContact C-N 3.31Å; P178-Q180 WeakPolarHBondContact O-CG 3.49Å; P178-Q180 PolarHBondContact O-N 2.89Å; P178-Q180 VanDerWaalsContact O-N 3.11Å; P178-Q180 PolarHBondContact O-NE2 3.33Å
179N97.6Very high97.7Very high68 Ų6833 Ų3336%0.36418%0.181SC..THydrogen-bonded Turntrans42.747.5165.1-163.330.9000115.5D22 R147 G158 C159D22-N179 WeakPolarHBondContact OD2-CA 3.43Å; D22-N179 PolarHBondContact OD2-N 3.24Å; R147-N179 PolarHBondContact NH2-O 2.92Å; R147-N179 PolarHBondContact NH2-OD1 3.35Å; G158-N179 PolarHBondContact O-OD1 2.88Å; C159-N179 PolarHBondContact SG-N 3Å; C159-N179 VanDerWaalsContact SG-N 3.45Å
180Q98.3Very high97.6Very high68 Ų6836.6 Ų36.632%0.31820%0.198SC..  trans-134.4171.2179.2-79.2165.788.300110.2H119 C159 A160 F176 P178H119-Q180 PolarHBondContact NE2-OE1 3.34Å; C159-Q180 WeakPolarHBondContact CA-O 3.19Å; C159-Q180 WeakPolarHBondContact CB-O 3.3Å; A160-Q180 PolarHBondContact N-O 2.95Å; F176-Q180 HydrophobicContact CB-CB 3.87Å; P178-Q180 VanDerWaalsContact C-N 3.31Å; P178-Q180 WeakPolarHBondContact O-CG 3.49Å; P178-Q180 PolarHBondContact O-N 2.89Å; P178-Q180 VanDerWaalsContact O-N 3.11Å; P178-Q180 PolarHBondContact O-NE2 3.33Å
181Q98.4Very high97.6Very high4 Ų438 Ų382%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-139.4154.7177.267.3-175.757.500112.2S117 H119 S140 A144 A160S117-Q181 WeakPolarHBondContact O-CG 3.44Å; S117-Q181 PolarHBondContact O-NE2 3.11Å; H119-Q181 PolarHBondContact N-O 3.37Å; S140-Q181 PolarHBondContact O-NE2 2.95Å; A144-Q181 VanDerWaalsContact CA-OE1 3.31Å; A160-Q181 HydrophobicContact CB-CB 3.95Å; A160-Q181 CarbonylContact O-C 3.58Å; A160-Q181 WeakPolarHBondContact O-CA 3.26Å; A160-Q181 VanDerWaalsContact O-CB 3.32Å; A160-Q181 WeakPolarHBondContact O-CB 3.4Å
182T98.8Very high97.6Very high2 Ų237.1 Ų37.11%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-135132.6-175.6-26.60000110.6H119 A160 G161 V162 V172 F176H119-T182 HydrophobicContact CB-CG2 4.17Å; H119-T182 CarbonylContact O-C 3.57Å; H119-T182 VanDerWaalsContact O-CA 3.28Å; H119-T182 WeakPolarHBondContact O-CA 3.45Å; A160-T182 PolarHBondContact O-N 2.7Å; G161-T182 WeakPolarHBondContact CA-O 3.24Å; V162-T182 PolarHBondContact N-O 3.21Å; V172-T182 HydrophobicContact CG2-CG2 3.65Å; V172-T182 WeakPolarHBondContact O-CB 3.48Å; V172-T182 PolarHBondContact O-OG1 3.15Å; F176-T182 HydrophobicContact CD2-CG2 3.91Å; F176-T182 HydrophobicContact CE2-CG2 4.09Å
183V98.6Very high97.6Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-101.1134.2166.861.70000110.2V116 H119 V120 Y121 L136 L137 V162V116-V183 HydrophobicContact CG1-CG1 4.4Å; H119-V183 PolarHBondContact O-N 2.77Å; V120-V183 HydrophobicContact CB-CG1 4.36Å; V120-V183 HydrophobicContact CG1-CG1 4.45Å; V120-V183 HydrophobicContact CG2-CG1 4.02Å; Y121-V183 WeakPolarHBondContact CB-O 3.46Å; Y121-V183 PolarHBondContact N-O 3.4Å; L136-V183 HydrophobicContact CB-CG2 3.78Å; L137-V183 HydrophobicContact CD2-CG1 4.18Å; V162-V183 HydrophobicContact CB-CB 4.31Å; V162-V183 HydrophobicContact CB-CG2 4.17Å; V162-V183 HydrophobicContact CG1-CG2 4.36Å
184L98.6Very high97.6Very high5 Ų540.4 Ų40.43%0.02622%0.215CC..  trans-101.9113.9173.5-177.770000109.8Y121 L136 V162 A163 L168 V172 L192Y121-L184 HydrophobicContact CD1-CD1 3.45Å; Y121-L184 VanDerWaalsContact CD1-CD1 3.45Å; Y121-L184 HydrophobicContact CE1-CD1 4.21Å; Y121-L184 HydrophobicContact CG-CD1 3.96Å; L136-L184 WeakPolarHBondContact CD1-O 3.27Å; V162-L184 PolarHBondContact O-N 3.31Å; A163-L184 HydrophobicContact CB-CB 4.08Å; A163-L184 HydrophobicContact CB-CD2 4.24Å; L168-L184 HydrophobicContact CB-CD2 3.76Å; L168-L184 HydrophobicContact CD1-CD2 4.02Å; L168-L184 HydrophobicContact CD2-CD2 3.95Å; L168-L184 HydrophobicContact CG-CD2 4.12Å; V172-L184 HydrophobicContact CB-CB 4.21Å; V172-L184 HydrophobicContact CG1-CB 4.21Å; V172-L184 HydrophobicContact CG2-CB 3.98Å; L184-L192 HydrophobicContact CD1-CB 4.21Å; L184-L192 HydrophobicContact CD1-CD2 4.08Å; L184-L192 HydrophobicContact CD2-CD2 3.65Å; L184-L192 HydrophobicContact CG-CD2 4.41Å
185L98Very high97.7Very high1 Ų141.3 Ų41.31%0.00522%0.215CC..  trans-82.7151.9170.3-60.1173.2000110.5V120 Q124 I126 H133 L136 E187 S188V120-L185 HydrophobicContact CG1-CD1 3.56Å; V120-L185 HydrophobicContact CG1-CG 4.06Å; Q124-L185 HydrophobicContact CB-CD1 4.15Å; Q124-L185 HydrophobicContact CG-CB 4.05Å; Q124-L185 HydrophobicContact CG-CD1 3.85Å; I126-L185 HydrophobicContact CG1-CD1 4.3Å; H133-L185 HydrophobicContact CB-CD2 4.17Å; L136-L185 HydrophobicContact CB-CD2 4.3Å; L136-L185 HydrophobicContact CD1-CD2 4.18Å; L185-E187 VanDerWaalsContact C-N 3.29Å; L185-E187 WeakPolarHBondContact CB-OE2 3.36Å; L185-E187 PolarHBondContact O-N 3.3Å; L185-E187 VanDerWaalsContact O-N 3.17Å; L185-S188 PolarHBondContact O-N 3.49Å
186P96.4Very high97.7Very high50 Ų5039.6 Ų39.633%0.32520%0.204SC..G310 helixtrans-58-35-165.8-26.435.6000115L132 L136 S188 C189L132-P186 HydrophobicContact CB-CG 4.3Å; L132-P186 HydrophobicContact CD1-CG 4.21Å; L136-P186 HydrophobicContact CD1-CG 4.43Å; P186-S188 VanDerWaalsContact C-N 3.32Å; P186-S188 PolarHBondContact O-N 2.66Å; P186-C189 WeakPolarHBondContact O-CB 3.2Å; P186-C189 PolarHBondContact O-N 3.17Å
187E97.2Very high97.6Very high88 Ų8843 Ų4341%0.41123%0.226SC..G310 helixtrans-68.6-34.2-172.8-47.571-145.600111.3Q124 H133 L185 C189Q124-E187 PolarHBondContact NE2-OE2 2.97Å; H133-E187 IonicContact CD2-OE1 2.61Å; H133-E187 IonicContact CE1-OE1 3.67Å; H133-E187 IonicContact CE1-OE2 2.69Å; H133-E187 PolarHBondContact CE1-OE2 3.09Å; H133-E187 VanDerWaalsContact CE1-OE2 3.29Å; H133-E187 CovalentContact NE2-OE1 1.8Å; H133-E187 IonicContact NE2-OE1 3.73Å; H133-E187 PolarHBondContact NE2-OE1 3.41Å; H133-E187 IonicContact NE2-OE2 2.76Å; H133-E187 PolarHBondContact NE2-OE2 2.89Å; L185-E187 VanDerWaalsContact C-N 3.29Å; L185-E187 WeakPolarHBondContact CB-OE2 3.36Å; L185-E187 PolarHBondContact O-N 3.3Å; L185-E187 VanDerWaalsContact O-N 3.17Å; E187-C189 VanDerWaalsContact C-N 3.26Å; E187-C189 PolarHBondContact O-N 2.82Å
188S98.1Very high97.6Very high4 Ų441.4 Ų41.43%0.02822%0.219CC..G310 helixtrans-82.84.7178.4-72.80000113.9Q124 L185 P186 Q190 H191 L192Q124-S188 PolarHBondContact OE1-OG 3.47Å; L185-S188 PolarHBondContact O-N 3.49Å; P186-S188 VanDerWaalsContact C-N 3.32Å; P186-S188 PolarHBondContact O-N 2.66Å; S188-Q190 PolarHBondContact O-N 3.13Å; S188-H191 WeakPolarHBondContact O-CB 3.37Å; S188-H191 PolarHBondContact O-N 2.97Å; S188-L192 PolarHBondContact O-N 3.06Å
189C97.1Very high97.6Very high18 Ų1838.7 Ų38.712%0.12220%0.201CC..Hα-helixtrans-55.9-51.4179.2178.40000112.7P186 E187 H191 L192 I193P186-C189 WeakPolarHBondContact O-CB 3.2Å; P186-C189 PolarHBondContact O-N 3.17Å; E187-C189 VanDerWaalsContact C-N 3.26Å; E187-C189 PolarHBondContact O-N 2.82Å; C189-H191 VanDerWaalsContact C-N 3.29Å; C189-H191 PolarHBondContact O-N 3.44Å; C189-L192 PolarHBondContact O-N 3.16Å; C189-I193 WeakPolarHBondContact O-CB 3.38Å; C189-I193 WeakPolarHBondContact O-CG1 3.31Å; C189-I193 PolarHBondContact O-N 3.13Å
190Q97.2Very high97.5Very high77 Ų7739 Ų3936%0.3620%0.199SC..Hα-helixtrans-68.8-27.9-179.8-62-53.6-43.100112.6S188 I193 H194 F249S188-Q190 PolarHBondContact O-N 3.13Å; Q190-I193 PolarHBondContact O-N 2.69Å; Q190-H194 VanDerWaalsContact O-CB 3.31Å; Q190-H194 WeakPolarHBondContact O-CB 3.46Å; Q190-H194 PolarHBondContact O-CD2 2.57Å; Q190-H194 PolarHBondContact O-N 3.42Å; Q190-F249 PolarHBondContact NE2-O 3.5Å
191H98.4Very high97.4Very high95 Ų9539.4 Ų39.444%0.4420%0.201SC..Hα-helixtrans-65.9-46.1172.8-170.8-83.7000111.4Y121 N122 S188 C189 I193 H194 S195Y121-H191 HydrophobicContact CE1-CB 4.4Å; Y121-H191 AromaticContact CE1-ND1 3.71Å; Y121-H191 AromaticContact CZ-ND1 3.7Å; Y121-H191 PolarHBondContact OH-ND1 2.92Å; N122-H191 PolarHBondContact OD1-CE1 2.93Å; S188-H191 WeakPolarHBondContact O-CB 3.37Å; S188-H191 PolarHBondContact O-N 2.97Å; C189-H191 VanDerWaalsContact C-N 3.29Å; C189-H191 PolarHBondContact O-N 3.44Å; H191-I193 PolarHBondContact O-N 2.95Å; H191-H194 PolarHBondContact O-N 3.32Å; H191-S195 WeakPolarHBondContact O-CB 3.39Å; H191-S195 PolarHBondContact O-N 3.28Å
192L98.3Very high97.4Very high4 Ų439.3 Ų39.32%0.02120%0.201CC..Hα-helixtrans-61.1-44.6174.8-17866000111.6Y121 L168 L171 V172 V175 L184 S188 C189 S195Y121-L192 HydrophobicContact CD1-CB 4.39Å; Y121-L192 HydrophobicContact CD2-CD1 4.35Å; Y121-L192 HydrophobicContact CE1-CB 3.74Å; Y121-L192 HydrophobicContact CE1-CD1 4.3Å; Y121-L192 HydrophobicContact CE2-CD1 3.75Å; Y121-L192 WeakPolarHBondContact OH-CA 3.25Å; L168-L192 HydrophobicContact CD2-CD2 4.35Å; L171-L192 HydrophobicContact CB-CD1 4.48Å; L171-L192 HydrophobicContact CB-CD2 3.85Å; L171-L192 HydrophobicContact CB-CG 4.23Å; V172-L192 HydrophobicContact CB-CD2 3.91Å; V172-L192 HydrophobicContact CG2-CD2 4.23Å; V175-L192 HydrophobicContact CG2-CD1 4.14Å; L184-L192 HydrophobicContact CD1-CB 4.21Å; L184-L192 HydrophobicContact CD1-CD2 4.08Å; L184-L192 HydrophobicContact CD2-CD2 3.65Å; L184-L192 HydrophobicContact CG-CD2 4.41Å; S188-L192 PolarHBondContact O-N 3.06Å; C189-L192 PolarHBondContact O-N 3.16Å; L192-S195 PolarHBondContact O-N 3.41Å; L192-S195 PolarHBondContact O-OG 3.21Å
193I98Very high97.3Very high0 Ų041.2 Ų41.20%021%0.213CC..Hα-helixtrans-66.9-36.3-179-71.9-69.1000112.3L167 L168 L171 C189 Q190 H191 V221 S248L167-I193 HydrophobicContact CD2-CD1 4.34Å; L168-I193 HydrophobicContact CD2-CD1 3.89Å; L168-I193 HydrophobicContact CD2-CG1 3.94Å; L171-I193 HydrophobicContact CD1-CD1 3.78Å; C189-I193 WeakPolarHBondContact O-CB 3.38Å; C189-I193 WeakPolarHBondContact O-CG1 3.31Å; C189-I193 PolarHBondContact O-N 3.13Å; Q190-I193 PolarHBondContact O-N 2.69Å; H191-I193 PolarHBondContact O-N 2.95Å; I193-V221 HydrophobicContact CG2-CG1 3.72Å; I193-S248 WeakPolarHBondContact CG2-O 3.12Å
194H97.8Very high97.1Very high71 Ų7143.3 Ų43.333%0.32924%0.235SC..Hα-helixtrans-82-10.8173.8-70.8-31.2000114.8Q190 H191 L196 R222 Q225Q190-H194 VanDerWaalsContact O-CB 3.31Å; Q190-H194 WeakPolarHBondContact O-CB 3.46Å; Q190-H194 PolarHBondContact O-CD2 2.57Å; Q190-H194 PolarHBondContact O-N 3.42Å; H191-H194 PolarHBondContact O-N 3.32Å; H194-L196 PolarHBondContact O-N 3.41Å; H194-R222 PolarHBondContact NE2-NH2 3.21Å; H194-Q225 PolarHBondContact CE1-NE2 2.91Å; H194-Q225 PolarHBondContact CE1-OE1 3.07Å
195S97.5Very high97Very high59 Ų5943.4 Ų43.441%0.41324%0.235SC..THydrogen-bonded Turntrans-73.9-6.5172.274.30000114.1H191 L192H191-S195 WeakPolarHBondContact O-CB 3.39Å; H191-S195 PolarHBondContact O-N 3.28Å; L192-S195 PolarHBondContact O-N 3.41Å; L192-S195 PolarHBondContact O-OG 3.21Å
196L97.3Very high96.8Very high26 Ų2645.3 Ų45.314%0.13626%0.255CS..  trans-81.6127.6174.5-55-177.8000110.7L171 H194 H198 E201 I202 V221L171-L196 HydrophobicContact CD1-CD1 4.08Å; L171-L196 HydrophobicContact CD2-CD1 4.12Å; L171-L196 HydrophobicContact CD2-CD2 4.05Å; H194-L196 PolarHBondContact O-N 3.41Å; L196-H198 VanDerWaalsContact C-N 3.3Å; L196-H198 PolarHBondContact O-N 2.85Å; L196-E201 WeakPolarHBondContact CA-OE2 3.36Å; L196-E201 HydrophobicContact CB-CB 4.29Å; L196-E201 HydrophobicContact CD2-CB 4.2Å; L196-I202 HydrophobicContact CD1-CG1 3.71Å; L196-V221 HydrophobicContact CB-CG2 4.01Å
197N95.3Very high96.6Very high139 Ų13950.3 Ų50.374%0.74327%0.269SS*.SBendtrans-76.9-19.1-173-55.8-87.7000112.7E201N197-E201 PolarHBondContact N-OE2 2.78Å; N197-E201 PolarHBondContact ND2-OE2 2.82Å
198H96.5Very high96.3Very high33 Ų3354.8 Ų54.815%0.15329%0.287CS..SBendtrans-159.9144-170.6-163.6-42.6000111.3L196 K200 E201 E214L196-H198 VanDerWaalsContact C-N 3.3Å; L196-H198 PolarHBondContact O-N 2.85Å; H198-K200 HydrophobicContact CB-CG 4.18Å; H198-K200 WeakPolarHBondContact CD2-CE 3.24Å; H198-K200 PolarHBondContact CD2-NZ 3.43Å; H198-K200 WeakPolarHBondContact NE2-CE 3.5Å; H198-K200 PolarHBondContact NE2-NZ 3.45Å; H198-K200 PolarHBondContact O-N 3.37Å; H198-E201 WeakPolarHBondContact O-CB 3.3Å; H198-E201 PolarHBondContact O-N 2.89Å; H198-E214 IonicContact CE1-OE1 3.37Å; H198-E214 PolarHBondContact CE1-OE1 3.4Å; H198-E214 IonicContact NE2-OE1 3.83Å
199I95.6Very high96.2Very high0 Ų055.9 Ų55.90%029%0.294CS..G310 helixtrans-54.7-19.2-18050.264.6000116E201 I202 I205 A210 L213 N219 S220 L224I199-E201 VanDerWaalsContact C-N 3.27Å; I199-E201 PolarHBondContact O-N 2.89Å; I199-I202 WeakPolarHBondContact O-CB 3.41Å; I199-I202 PolarHBondContact O-N 3.05Å; I199-I205 HydrophobicContact CB-CD1 4.43Å; I199-I205 HydrophobicContact CD1-CG2 4.27Å; I199-I205 WeakPolarHBondContact O-CB 3.45Å; I199-A210 HydrophobicContact CD1-CB 3.65Å; I199-L213 HydrophobicContact CB-CD1 4.31Å; I199-L213 HydrophobicContact CD1-CB 4.23Å; I199-L213 HydrophobicContact CD1-CD1 3.89Å; I199-L213 HydrophobicContact CG1-CB 4.35Å; I199-L213 HydrophobicContact CG1-CD1 3.93Å; I199-N219 PolarHBondContact N-O 3.25Å; I199-S220 VanDerWaalsContact CG2-O 3.26Å; I199-S220 WeakPolarHBondContact CG2-O 3.48Å; I199-L224 HydrophobicContact CG2-CB 4.1Å; I199-L224 HydrophobicContact CG2-CD2 4.15Å
200K95.8Very high96.2Very high74 Ų7455.1 Ų55.132%0.32229%0.289SS..G310 helixtrans-78.1-8.9177.669.9-164.3173.7-1540114.1H198 I202 A210H198-K200 HydrophobicContact CB-CG 4.18Å; H198-K200 WeakPolarHBondContact CD2-CE 3.24Å; H198-K200 PolarHBondContact CD2-NZ 3.43Å; H198-K200 WeakPolarHBondContact NE2-CE 3.5Å; H198-K200 PolarHBondContact NE2-NZ 3.45Å; H198-K200 PolarHBondContact O-N 3.37Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-A210 HydrophobicContact CB-CB 3.89Å
201E96.3Very high96.1Very high77 Ų7754.9 Ų54.936%0.3629%0.286SS..G310 helixtrans-82.5-16174.3-62.4175.4-178.400111.5L196 N197 H198 I199 P203L196-E201 WeakPolarHBondContact CA-OE2 3.36Å; L196-E201 HydrophobicContact CB-CB 4.29Å; L196-E201 HydrophobicContact CD2-CB 4.2Å; N197-E201 PolarHBondContact N-OE2 2.78Å; N197-E201 PolarHBondContact ND2-OE2 2.82Å; H198-E201 WeakPolarHBondContact O-CB 3.3Å; H198-E201 PolarHBondContact O-N 2.89Å; I199-E201 VanDerWaalsContact C-N 3.27Å; I199-E201 PolarHBondContact O-N 2.89Å; E201-P203 VanDerWaalsContact O-CD 3.26Å; E201-P203 WeakPolarHBondContact O-CD 3.08Å
202I97.8Very high96Very high2 Ų252.3 Ų52.31%0.0128%0.279CS..SBendtrans-73.4118.1176.7-60.6174.6000110.5L167 L196 I199 K200 G204 I205 V221 L247L167-I202 HydrophobicContact CD1-CG2 4.19Å; L196-I202 HydrophobicContact CD1-CG1 3.71Å; I199-I202 WeakPolarHBondContact O-CB 3.41Å; I199-I202 PolarHBondContact O-N 3.05Å; K200-I202 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 3.12Å; I202-I205 HydrophobicContact CB-CD1 4.06Å; I202-I205 HydrophobicContact CB-CG1 4.26Å; I202-I205 HydrophobicContact CD1-CD1 4.04Å; I202-I205 HydrophobicContact CG2-CD1 4.2Å; I202-I205 HydrophobicContact CG2-CG1 4.27Å; I202-I205 PolarHBondContact O-N 2.79Å; I202-V221 HydrophobicContact CD1-CG1 4.15Å; I202-V221 HydrophobicContact CD1-CG2 4.1Å; I202-L247 HydrophobicContact CG2-CB 3.84Å
203P97.7Very high96Very high43 Ų4352.1 Ų52.128%0.27928%0.278SS..THydrogen-bonded Turntrans-53.3112.3171.5-27.334.6000112.6L167 K170 L171 E201L167-P203 HydrophobicContact CD1-CB 4.17Å; L167-P203 HydrophobicContact CD1-CG 3.98Å; K170-P203 HydrophobicContact CD-CB 4.2Å; K170-P203 HydrophobicContact CD-CG 4.05Å; K170-P203 HydrophobicContact CG-CG 4.2Å; L171-P203 HydrophobicContact CD2-CG 4.15Å; L171-P203 HydrophobicContact CG-CG 4.5Å; E201-P203 VanDerWaalsContact O-CD 3.26Å; E201-P203 WeakPolarHBondContact O-CD 3.08Å
204G94.4Very high96Very high43 Ų4354 Ų5444%0.44329%0.287SS..THydrogen-bonded Turntrans114-2.5-177.800000115.1I202 R243I202-G204 PolarHBondContact O-N 3.12Å; G204-R243 PolarHBondContact O-NH1 3.31Å
205I97.2Very high95.9Very high7 Ų754.9 Ų54.94%0.03631%0.306CS..  trans-112.798.3169.2-56-174.2000108.5I199 I202 T209 A210 L213 L224 I244I199-I205 HydrophobicContact CB-CD1 4.43Å; I199-I205 HydrophobicContact CD1-CG2 4.27Å; I199-I205 WeakPolarHBondContact O-CB 3.45Å; I202-I205 HydrophobicContact CB-CD1 4.06Å; I202-I205 HydrophobicContact CB-CG1 4.26Å; I202-I205 HydrophobicContact CD1-CD1 4.04Å; I202-I205 HydrophobicContact CG2-CD1 4.2Å; I202-I205 HydrophobicContact CG2-CG1 4.27Å; I202-I205 PolarHBondContact O-N 2.79Å; I205-T209 HydrophobicContact CG2-CG2 4.04Å; I205-A210 HydrophobicContact CG2-CB 4.38Å; I205-L213 HydrophobicContact CD1-CD1 4.32Å; I205-L213 HydrophobicContact CG2-CD1 3.94Å; I205-L224 HydrophobicContact CD1-CD2 3.63Å; I205-I244 HydrophobicContact CD1-CB 4.01Å; I205-I244 HydrophobicContact CD1-CG2 4.4Å; I205-I244 HydrophobicContact CG1-CB 4.08Å; I205-I244 HydrophobicContact CG1-CG2 3.91Å
206G93.9Very high95.9Very high42 Ų4254.7 Ų54.743%0.43330%0.3SS..  trans-91.6170.8178.700000113.2K208 T209 A210G206-K208 VanDerWaalsContact C-N 3.31Å; G206-K208 PolarHBondContact O-N 3.45Å; G206-T209 WeakPolarHBondContact O-CA 3.36Å; G206-T209 WeakPolarHBondContact O-CB 3.43Å; G206-T209 PolarHBondContact O-N 2.89Å; G206-A210 PolarHBondContact O-N 2.86Å
207Y90.9Very high95.9Very high154 Ų15455.8 Ų55.860%0.60432%0.317SS*.Hα-helixtrans-40.7-48.5-175.7175.7-93.2000115.3A210 K211Y207-A210 PolarHBondContact O-N 2.82Å; Y207-K211 HydrophobicContact CD2-CG 4.3Å; Y207-K211 HydrophobicContact CE1-CG 4.07Å; Y207-K211 HydrophobicContact CE2-CD 4.38Å; Y207-K211 HydrophobicContact CE2-CG 3.84Å; Y207-K211 PolarHBondContact O-N 2.96Å
208K92.1Very high96.1Very high182 Ų18249.2 Ų49.279%0.79128%0.282SS*.Hα-helixtrans-64.2-41.4179.9-71.9-164.3173.9-164.20113G206 C212G206-K208 VanDerWaalsContact C-N 3.31Å; G206-K208 PolarHBondContact O-N 3.45Å; K208-C212 PolarHBondContact O-N 2.99Å
209T95.8Very high96Very high28 Ų2851.3 Ų51.317%0.17229%0.294CS..Hα-helixtrans-68.9-43.6176-48.80000110I205 G206 C212 L213 L236 I244I205-T209 HydrophobicContact CG2-CG2 4.04Å; G206-T209 WeakPolarHBondContact O-CA 3.36Å; G206-T209 WeakPolarHBondContact O-CB 3.43Å; G206-T209 PolarHBondContact O-N 2.89Å; T209-C212 PolarHBondContact O-N 3.02Å; T209-L213 HydrophobicContact CG2-CD1 4.25Å; T209-L213 HydrophobicContact CG2-CG 4.47Å; T209-L213 VanDerWaalsContact O-CG 3.29Å; T209-L213 WeakPolarHBondContact O-CG 3.38Å; T209-L213 PolarHBondContact O-N 3.45Å; T209-L236 HydrophobicContact CG2-CD1 4.28Å; T209-I244 HydrophobicContact CG2-CD1 3.85Å
210A96.6Very high96.1Very high2 Ų253.2 Ų53.22%0.01731%0.308CS..Hα-helixtrans-57.7-50.1176.200000112.1I199 K200 I205 G206 Y207 C212 L213 E214I199-A210 HydrophobicContact CD1-CB 3.65Å; K200-A210 HydrophobicContact CB-CB 3.89Å; I205-A210 HydrophobicContact CG2-CB 4.38Å; G206-A210 PolarHBondContact O-N 2.86Å; Y207-A210 PolarHBondContact O-N 2.82Å; A210-C212 VanDerWaalsContact C-N 3.28Å; A210-C212 PolarHBondContact O-N 3.05Å; A210-L213 WeakPolarHBondContact O-CB 3.4Å; A210-L213 PolarHBondContact O-N 2.78Å; A210-L213 VanDerWaalsContact O-N 3.1Å; A210-E214 WeakPolarHBondContact O-CB 3.45Å; A210-E214 VanDerWaalsContact O-CG 3.22Å; A210-E214 WeakPolarHBondContact O-CG 3.23Å; A210-E214 PolarHBondContact O-N 2.97Å
211K95.3Very high96.2Very high72 Ų7249.8 Ų49.831%0.31329%0.293SS..Hα-helixtrans-62.9-30.4177.3-73-73.3165.4-157.40113.9Y207 E214 A215Y207-K211 HydrophobicContact CD2-CG 4.3Å; Y207-K211 HydrophobicContact CE1-CG 4.07Å; Y207-K211 HydrophobicContact CE2-CD 4.38Å; Y207-K211 HydrophobicContact CE2-CG 3.84Å; Y207-K211 PolarHBondContact O-N 2.96Å; K211-E214 VanDerWaalsContact CD-OE2 3.29Å; K211-E214 WeakPolarHBondContact CD-OE2 3.26Å; K211-E214 VanDerWaalsContact CE-OE2 3.25Å; K211-E214 WeakPolarHBondContact CE-OE2 3.46Å; K211-E214 IonicContact NZ-OE2 3.33Å; K211-E214 PolarHBondContact NZ-OE2 2.99Å; K211-A215 WeakPolarHBondContact O-CB 3.4Å; K211-A215 PolarHBondContact O-N 2.83Å; K211-A215 VanDerWaalsContact O-N 3.13Å
212C96.3Very high96.3Very high41 Ų4153 Ų5328%0.27730%0.302SS..Hα-helixtrans-72-41.5172.5-178.50000111.9K208 T209 A210 A215 L216 L236K208-C212 PolarHBondContact O-N 2.99Å; T209-C212 PolarHBondContact O-N 3.02Å; A210-C212 VanDerWaalsContact C-N 3.28Å; A210-C212 PolarHBondContact O-N 3.05Å; C212-A215 PolarHBondContact O-N 3.43Å; C212-L216 WeakPolarHBondContact O-CG 3.48Å; C212-L216 PolarHBondContact O-N 3.28Å; C212-L236 HydrophobicContact CB-CD2 4.07Å; C212-L236 VanDerWaalsContact SG-CD2 3.54Å
213L97.8Very high96.3Very high0 Ų055.4 Ų55.40%032%0.315CS..Hα-helixtrans-62.5-46.9173.2-68.2173.7000111.5I199 I205 T209 A210 A215 L216 G217 I218 L224 L232 L236 I244I199-L213 HydrophobicContact CB-CD1 4.31Å; I199-L213 HydrophobicContact CD1-CB 4.23Å; I199-L213 HydrophobicContact CD1-CD1 3.89Å; I199-L213 HydrophobicContact CG1-CB 4.35Å; I199-L213 HydrophobicContact CG1-CD1 3.93Å; I205-L213 HydrophobicContact CD1-CD1 4.32Å; I205-L213 HydrophobicContact CG2-CD1 3.94Å; T209-L213 HydrophobicContact CG2-CD1 4.25Å; T209-L213 HydrophobicContact CG2-CG 4.47Å; T209-L213 VanDerWaalsContact O-CG 3.29Å; T209-L213 WeakPolarHBondContact O-CG 3.38Å; T209-L213 PolarHBondContact O-N 3.45Å; A210-L213 WeakPolarHBondContact O-CB 3.4Å; A210-L213 PolarHBondContact O-N 2.78Å; A210-L213 VanDerWaalsContact O-N 3.1Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.1Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.89Å; L213-G217 PolarHBondContact O-N 2.64Å; L213-I218 CarbonylContact C-O 3.48Å; L213-I218 HydrophobicContact CB-CB 4Å; L213-I218 HydrophobicContact CB-CG2 4.25Å; L213-I218 HydrophobicContact CD2-CB 4.36Å; L213-I218 HydrophobicContact CD2-CD1 3.66Å; L213-I218 HydrophobicContact CD2-CG2 4.23Å; L213-I218 WeakPolarHBondContact O-CA 3.3Å; L213-I218 WeakPolarHBondContact O-CB 3.41Å; L213-I218 PolarHBondContact O-N 3.11Å; L213-L224 HydrophobicContact CD1-CD2 4.26Å; L213-L224 HydrophobicContact CD2-CD1 4Å; L213-L232 HydrophobicContact CD2-CD1 3.74Å; L213-L236 HydrophobicContact CD2-CD1 4.06Å; L213-I244 HydrophobicContact CD1-CD1 4.21Å; L213-I244 HydrophobicContact CD2-CD1 4.08Å
214E97.3Very high96.4Very high40 Ų4053.3 Ų53.319%0.18730%0.301CS..Hα-helixtrans-55.9-42175.8-71162.1-137.500111.2H198 A210 K211 L216 G217 I218H198-E214 IonicContact CE1-OE1 3.37Å; H198-E214 PolarHBondContact CE1-OE1 3.4Å; H198-E214 IonicContact NE2-OE1 3.83Å; A210-E214 WeakPolarHBondContact O-CB 3.45Å; A210-E214 VanDerWaalsContact O-CG 3.22Å; A210-E214 WeakPolarHBondContact O-CG 3.23Å; A210-E214 PolarHBondContact O-N 2.97Å; K211-E214 VanDerWaalsContact CD-OE2 3.29Å; K211-E214 WeakPolarHBondContact CD-OE2 3.26Å; K211-E214 VanDerWaalsContact CE-OE2 3.25Å; K211-E214 WeakPolarHBondContact CE-OE2 3.46Å; K211-E214 IonicContact NZ-OE2 3.33Å; K211-E214 PolarHBondContact NZ-OE2 2.99Å; E214-L216 VanDerWaalsContact C-N 3.27Å; E214-L216 PolarHBondContact O-N 3.16Å; E214-G217 PolarHBondContact O-N 2.9Å; E214-I218 PolarHBondContact N-O 3.07Å
215A97.4Very high96.6Very high88 Ų8852.4 Ų52.473%0.72729%0.285SS*.Hα-helixtrans-69-19.6175.500000114.3K211 C212 L213 G217K211-A215 WeakPolarHBondContact O-CB 3.4Å; K211-A215 PolarHBondContact O-N 2.83Å; K211-A215 VanDerWaalsContact O-N 3.13Å; C212-A215 PolarHBondContact O-N 3.43Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.1Å; A215-G217 VanDerWaalsContact C-N 3.32Å
216L97.1Very high96.6Very high55 Ų5557.2 Ų57.229%0.28832%0.316SS..THydrogen-bonded Turntrans-91.37.7170.5-63.4171.7000112.6C212 L213 E214 I218 F227 E235C212-L216 WeakPolarHBondContact O-CG 3.48Å; C212-L216 PolarHBondContact O-N 3.28Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.89Å; E214-L216 VanDerWaalsContact C-N 3.27Å; E214-L216 PolarHBondContact O-N 3.16Å; L216-I218 VanDerWaalsContact C-N 3.29Å; L216-I218 HydrophobicContact CB-CD1 3.96Å; L216-I218 HydrophobicContact CB-CG1 4.17Å; L216-I218 HydrophobicContact CD1-CD1 4.4Å; L216-I218 PolarHBondContact O-N 3.31Å; L216-F227 HydrophobicContact CB-CE2 4.43Å; L216-F227 HydrophobicContact CB-CZ 4.14Å; L216-F227 HydrophobicContact CD1-CZ 4.43Å; L216-E235 HydrophobicContact CD1-CB 4.09Å; L216-E235 HydrophobicContact CD1-CG 4.07Å; L216-E235 HydrophobicContact CD2-CG 4.09Å
217G97.4Very high96.8Very high49 Ų4957.3 Ų57.351%0.50530%0.304SS..THydrogen-bonded Turntrans80.13.3-17700000114.8L213 E214 A215 N219L213-G217 PolarHBondContact O-N 2.64Å; E214-G217 PolarHBondContact O-N 2.9Å; A215-G217 VanDerWaalsContact C-N 3.32Å; G217-N219 VanDerWaalsContact C-ND2 3.32Å; G217-N219 PolarHBondContact O-N 2.95Å; G217-N219 PolarHBondContact O-ND2 3.19Å
218I98.3Very high97.1Very high2 Ų252.3 Ų52.31%0.0129%0.292CS..  trans-88.9103.8-174.6-54.3166.8000109.4L213 E214 L216 D223 L224 F227 L232L213-I218 CarbonylContact C-O 3.48Å; L213-I218 HydrophobicContact CB-CB 4Å; L213-I218 HydrophobicContact CB-CG2 4.25Å; L213-I218 HydrophobicContact CD2-CB 4.36Å; L213-I218 HydrophobicContact CD2-CD1 3.66Å; L213-I218 HydrophobicContact CD2-CG2 4.23Å; L213-I218 WeakPolarHBondContact O-CA 3.3Å; L213-I218 WeakPolarHBondContact O-CB 3.41Å; L213-I218 PolarHBondContact O-N 3.11Å; E214-I218 PolarHBondContact N-O 3.07Å; L216-I218 VanDerWaalsContact C-N 3.29Å; L216-I218 HydrophobicContact CB-CD1 3.96Å; L216-I218 HydrophobicContact CB-CG1 4.17Å; L216-I218 HydrophobicContact CD1-CD1 4.4Å; L216-I218 PolarHBondContact O-N 3.31Å; I218-D223 HydrophobicContact CB-CB 4.35Å; I218-D223 HydrophobicContact CG2-CB 3.85Å; I218-L224 HydrophobicContact CG2-CB 3.72Å; I218-L224 HydrophobicContact CG2-CD1 4.36Å; I218-F227 HydrophobicContact CD1-CB 4.1Å; I218-F227 HydrophobicContact CD1-CD1 3.77Å; I218-F227 HydrophobicContact CD1-CD2 3.54Å; I218-F227 HydrophobicContact CD1-CE1 3.96Å; I218-F227 HydrophobicContact CD1-CE2 3.76Å; I218-F227 HydrophobicContact CD1-CG 3.53Å; I218-F227 HydrophobicContact CD1-CZ 3.96Å; I218-F227 HydrophobicContact CG1-CB 4.48Å; I218-F227 HydrophobicContact CG1-CD2 3.58Å; I218-F227 HydrophobicContact CG1-CE2 3.86Å; I218-F227 HydrophobicContact CG1-CG 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.17Å
219N96Very high97.4Very high76 Ų7646.8 Ų46.841%0.40627%0.274SS..  trans-116.4-46.9-174.7-67.9-88.2000111.8I199 G217 D223I199-N219 PolarHBondContact N-O 3.25Å; G217-N219 VanDerWaalsContact C-ND2 3.32Å; G217-N219 PolarHBondContact O-N 2.95Å; G217-N219 PolarHBondContact O-ND2 3.19Å; N219-D223 PolarHBondContact N-OD2 3.41Å
220S97.5Very high97.5Very high40 Ų4053.7 Ų53.728%0.2830%0.302SS..SBendtrans-86.9160.2178100.70000112.3I199 R222 D223 L224I199-S220 VanDerWaalsContact CG2-O 3.26Å; I199-S220 WeakPolarHBondContact CG2-O 3.48Å; S220-R222 PolarHBondContact O-N 3.09Å; S220-R222 PolarHBondContact OG-N 2.68Å; S220-R222 VanDerWaalsContact OG-N 3.13Å; S220-D223 WeakPolarHBondContact CB-OD1 3.29Å; S220-D223 PolarHBondContact N-OD2 3.07Å; S220-D223 WeakPolarHBondContact O-CB 3.31Å; S220-D223 PolarHBondContact O-N 2.92Å; S220-D223 PolarHBondContact OG-N 3.23Å; S220-D223 VanDerWaalsContact OG-N 3.17Å; S220-D223 PolarHBondContact OG-OD1 2.95Å; S220-L224 PolarHBondContact O-N 3.34Å
221V98Very high97.5Very high3 Ų357.3 Ų57.32%0.01832%0.32CS..Hα-helixtrans-61.5-35.5174.7-175.30000111.6I193 L196 I202 D223 L224 Q225 S248I193-V221 HydrophobicContact CG2-CG1 3.72Å; L196-V221 HydrophobicContact CB-CG2 4.01Å; I202-V221 HydrophobicContact CD1-CG1 4.15Å; I202-V221 HydrophobicContact CD1-CG2 4.1Å; V221-D223 VanDerWaalsContact C-N 3.33Å; V221-L224 PolarHBondContact O-N 3.03Å; V221-Q225 WeakPolarHBondContact O-CG 3.46Å; V221-Q225 PolarHBondContact O-N 3.36Å; V221-S248 VanDerWaalsContact CG1-O 3.3Å; V221-S248 WeakPolarHBondContact CG1-O 3.35Å
222R97.9Very high97.7Very high144 Ų14453.9 Ų53.954%0.54331%0.305SS..Hα-helixtrans-69.4-31.2178.8-179.6167.6-70.6-109.6-9.8112.4H194 S220 L224 Q225 T226H194-R222 PolarHBondContact NE2-NH2 3.21Å; S220-R222 PolarHBondContact O-N 3.09Å; S220-R222 PolarHBondContact OG-N 2.68Å; S220-R222 VanDerWaalsContact OG-N 3.13Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-Q225 PolarHBondContact O-N 3Å; R222-T226 HydrophobicContact CG-CG2 4.49Å; R222-T226 WeakPolarHBondContact O-CB 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.17Å; R222-T226 PolarHBondContact O-N 3.38Å; R222-T226 PolarHBondContact O-OG1 3.02Å
223D98.1Very high97.7Very high52 Ų5254.6 Ų54.628%0.27830%0.304SS..Hα-helixtrans-61.7-48.6173.8-47.7-4.1000108.4I218 N219 S220 V221 Q225 T226 F227I218-D223 HydrophobicContact CB-CB 4.35Å; I218-D223 HydrophobicContact CG2-CB 3.85Å; N219-D223 PolarHBondContact N-OD2 3.41Å; S220-D223 WeakPolarHBondContact CB-OD1 3.29Å; S220-D223 PolarHBondContact N-OD2 3.07Å; S220-D223 WeakPolarHBondContact O-CB 3.31Å; S220-D223 PolarHBondContact O-N 2.92Å; S220-D223 PolarHBondContact OG-N 3.23Å; S220-D223 VanDerWaalsContact OG-N 3.17Å; S220-D223 PolarHBondContact OG-OD1 2.95Å; V221-D223 VanDerWaalsContact C-N 3.33Å; D223-Q225 PolarHBondContact O-N 3.08Å; D223-T226 PolarHBondContact O-N 3.14Å; D223-T226 PolarHBondContact O-OG1 2.93Å; D223-F227 VanDerWaalsContact O-CB 3.31Å; D223-F227 WeakPolarHBondContact O-CB 3.46Å; D223-F227 PolarHBondContact O-N 3.39Å
224L98.4Very high97.7Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-67.6-36-179.4-177.154.9000112.9I199 I205 L213 I218 S220 V221 R222 T226 L232 I244 Q245I199-L224 HydrophobicContact CG2-CB 4.1Å; I199-L224 HydrophobicContact CG2-CD2 4.15Å; I205-L224 HydrophobicContact CD1-CD2 3.63Å; L213-L224 HydrophobicContact CD1-CD2 4.26Å; L213-L224 HydrophobicContact CD2-CD1 4Å; I218-L224 HydrophobicContact CG2-CB 3.72Å; I218-L224 HydrophobicContact CG2-CD1 4.36Å; S220-L224 PolarHBondContact O-N 3.34Å; V221-L224 PolarHBondContact O-N 3.03Å; R222-L224 VanDerWaalsContact C-N 3.34Å; L224-T226 VanDerWaalsContact C-N 3.33Å; L224-L232 HydrophobicContact CD1-CD1 4.16Å; L224-L232 HydrophobicContact CD1-CD2 3.84Å; L224-I244 HydrophobicContact CD1-CD1 4.42Å; L224-I244 HydrophobicContact CD1-CG1 4.38Å; L224-I244 HydrophobicContact CD2-CG1 4.48Å; L224-Q245 PolarHBondContact O-NE2 3.5Å
225Q98.4Very high97.7Very high23 Ų2364.1 Ų64.111%0.10735%0.347CS..Hα-helixtrans-61.5-39.9172.5-74.8179.5-9.100112.5H194 V221 R222 D223 S248 F249H194-Q225 PolarHBondContact CE1-NE2 2.91Å; H194-Q225 PolarHBondContact CE1-OE1 3.07Å; V221-Q225 WeakPolarHBondContact O-CG 3.46Å; V221-Q225 PolarHBondContact O-N 3.36Å; R222-Q225 PolarHBondContact O-N 3Å; D223-Q225 PolarHBondContact O-N 3.08Å; Q225-S248 WeakPolarHBondContact CG-O 3.43Å; Q225-S248 WeakPolarHBondContact CG-OG 3.43Å; Q225-S248 PolarHBondContact N-OG 3.4Å; Q225-S248 PolarHBondContact NE2-O 2.98Å; Q225-F249 HydrophobicContact CB-CD1 4.4Å; Q225-F249 HydrophobicContact CB-CE1 3.68Å; Q225-F249 HydrophobicContact CB-CE2 4.14Å; Q225-F249 HydrophobicContact CB-CZ 3.53Å; Q225-F249 HydrophobicContact CG-CD1 3.76Å; Q225-F249 HydrophobicContact CG-CD2 4.32Å; Q225-F249 HydrophobicContact CG-CE1 3.55Å; Q225-F249 HydrophobicContact CG-CE2 4.13Å; Q225-F249 HydrophobicContact CG-CG 4.14Å; Q225-F249 HydrophobicContact CG-CZ 3.75Å; Q225-F249 WeakPolarHBondContact O-CZ 3.39Å
226T97.8Very high97.6Very high109 Ų10961.6 Ų61.667%0.66932%0.32SS*.Hα-helixtrans-94.8-14-172.954.60000114R222 D223 L224R222-T226 HydrophobicContact CG-CG2 4.49Å; R222-T226 WeakPolarHBondContact O-CB 3.27Å; R222-T226 WeakPolarHBondContact O-CG2 3.17Å; R222-T226 PolarHBondContact O-N 3.38Å; R222-T226 PolarHBondContact O-OG1 3.02Å; D223-T226 PolarHBondContact O-N 3.14Å; D223-T226 PolarHBondContact O-OG1 2.93Å; L224-T226 VanDerWaalsContact C-N 3.33Å
227F98.3Very high97.7Very high44 Ų4460.6 Ų60.619%0.19332%0.323CS..SBendtrans-64.2143.3-178.5-161.8-97.9000113.1L216 I218 D223 P229 I231 L232 Q245L216-F227 HydrophobicContact CB-CE2 4.43Å; L216-F227 HydrophobicContact CB-CZ 4.14Å; L216-F227 HydrophobicContact CD1-CZ 4.43Å; I218-F227 HydrophobicContact CD1-CB 4.1Å; I218-F227 HydrophobicContact CD1-CD1 3.77Å; I218-F227 HydrophobicContact CD1-CD2 3.54Å; I218-F227 HydrophobicContact CD1-CE1 3.96Å; I218-F227 HydrophobicContact CD1-CE2 3.76Å; I218-F227 HydrophobicContact CD1-CG 3.53Å; I218-F227 HydrophobicContact CD1-CZ 3.96Å; I218-F227 HydrophobicContact CG1-CB 4.48Å; I218-F227 HydrophobicContact CG1-CD2 3.58Å; I218-F227 HydrophobicContact CG1-CE2 3.86Å; I218-F227 HydrophobicContact CG1-CG 4.03Å; D223-F227 VanDerWaalsContact O-CB 3.31Å; D223-F227 WeakPolarHBondContact O-CB 3.46Å; D223-F227 PolarHBondContact O-N 3.39Å; F227-P229 VanDerWaalsContact O-CD 3.29Å; F227-P229 WeakPolarHBondContact O-CD 3.48Å; F227-I231 HydrophobicContact CE1-CB 3.72Å; F227-I231 HydrophobicContact CE1-CG2 3.66Å; F227-I231 HydrophobicContact CZ-CB 4.26Å; F227-I231 HydrophobicContact CZ-CG2 3.83Å; F227-L232 HydrophobicContact CD1-CB 4.15Å; F227-L232 HydrophobicContact CD1-CD1 4.19Å; F227-L232 HydrophobicContact CE1-CB 4.45Å; F227-L232 HydrophobicContact CE1-CD1 4.46Å; F227-Q245 PolarHBondContact O-NE2 2.98Å
228S98Very high97.7Very high49 Ų4963.2 Ų63.234%0.34333%0.325SS..  trans-58.4116.5-177.9-179.50000111.9K230 I231 L232S228-K230 VanDerWaalsContact C-N 3.25Å; S228-K230 PolarHBondContact O-N 2.73Å; S228-I231 PolarHBondContact O-N 3.06Å; S228-I231 VanDerWaalsContact O-N 3.08Å; S228-L232 PolarHBondContact O-N 3.3Å; S228-L232 VanDerWaalsContact O-N 3.1Å
229P97.8Very high97.6Very high65 Ų6567.7 Ų67.742%0.42236%0.356SS..Hα-helixtrans-57.6-39.4-178.2-25.333.6000112.1F227 I231 L232 E233F227-P229 VanDerWaalsContact O-CD 3.29Å; F227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-I231 VanDerWaalsContact C-N 3.27Å; P229-I231 PolarHBondContact O-N 3.46Å; P229-L232 PolarHBondContact O-N 3.04Å; P229-L232 VanDerWaalsContact O-N 3.15Å; P229-E233 WeakPolarHBondContact O-CB 3.19Å; P229-E233 VanDerWaalsContact O-CG 3.27Å; P229-E233 WeakPolarHBondContact O-CG 3.44Å; P229-E233 PolarHBondContact O-N 3.02Å
230K97.9Very high97.7Very high174 Ų17466.2 Ų66.276%0.75735%0.35SS*.Hα-helixtrans-60.9-33.4179.5-63.2-175.9-180-179.20113.3S228 K234S228-K230 VanDerWaalsContact C-N 3.25Å; S228-K230 PolarHBondContact O-N 2.73Å; K230-K234 PolarHBondContact O-N 3.46Å
231I97.8Very high97.7Very high78 Ų7864.3 Ų64.340%0.434%0.337SS..Hα-helixtrans-77.4-44.5176.4-57.1178.4000109F227 S228 P229 E233 K234 E235F227-I231 HydrophobicContact CE1-CB 3.72Å; F227-I231 HydrophobicContact CE1-CG2 3.66Å; F227-I231 HydrophobicContact CZ-CB 4.26Å; F227-I231 HydrophobicContact CZ-CG2 3.83Å; S228-I231 PolarHBondContact O-N 3.06Å; S228-I231 VanDerWaalsContact O-N 3.08Å; P229-I231 VanDerWaalsContact C-N 3.27Å; P229-I231 PolarHBondContact O-N 3.46Å; I231-E233 VanDerWaalsContact C-N 3.31Å; I231-E233 PolarHBondContact O-N 3.35Å; I231-K234 WeakPolarHBondContact O-CB 3.38Å; I231-K234 PolarHBondContact O-N 3.47Å; I231-K234 VanDerWaalsContact O-N 3.1Å; I231-E235 HydrophobicContact CG2-CG 4.36Å; I231-E235 WeakPolarHBondContact O-CG 3.45Å; I231-E235 PolarHBondContact O-N 2.89Å
232L97.5Very high97.7Very high0 Ų068.8 Ų68.80%036%0.357CS..Hα-helixtrans-58.6-42.6177.7-160.169.9000112.1L213 I218 L224 F227 S228 P229 K234 E235 L236 A241 I244 Q245L213-L232 HydrophobicContact CD2-CD1 3.74Å; I218-L232 HydrophobicContact CD1-CD1 4.17Å; L224-L232 HydrophobicContact CD1-CD1 4.16Å; L224-L232 HydrophobicContact CD1-CD2 3.84Å; F227-L232 HydrophobicContact CD1-CB 4.15Å; F227-L232 HydrophobicContact CD1-CD1 4.19Å; F227-L232 HydrophobicContact CE1-CB 4.45Å; F227-L232 HydrophobicContact CE1-CD1 4.46Å; S228-L232 PolarHBondContact O-N 3.3Å; S228-L232 VanDerWaalsContact O-N 3.1Å; P229-L232 PolarHBondContact O-N 3.04Å; P229-L232 VanDerWaalsContact O-N 3.15Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 2.87Å; L232-E235 PolarHBondContact O-N 3.19Å; L232-L236 HydrophobicContact CD1-CD1 3.83Å; L232-L236 HydrophobicContact CG-CD1 4.28Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 PolarHBondContact O-N 2.87Å; L232-A241 VanDerWaalsContact C-CB 3.46Å; L232-A241 HydrophobicContact CB-CB 3.99Å; L232-A241 HydrophobicContact CD2-CB 3.96Å; L232-A241 HydrophobicContact CG-CB 3.7Å; L232-A241 WeakPolarHBondContact O-CB 3.48Å; L232-I244 HydrophobicContact CD2-CD1 4.49Å; L232-I244 HydrophobicContact CD2-CG1 4.26Å; L232-Q245 HydrophobicContact CD2-CB 4Å
233E98.1Very high97.7Very high55 Ų5567 Ų6726%0.25735%0.351SS..Hα-helixtrans-65.7-32.4176.1-70.3-176.6156.500113.1P229 I231 G237 I238 A241 Q242P229-E233 WeakPolarHBondContact O-CB 3.19Å; P229-E233 VanDerWaalsContact O-CG 3.27Å; P229-E233 WeakPolarHBondContact O-CG 3.44Å; P229-E233 PolarHBondContact O-N 3.02Å; I231-E233 VanDerWaalsContact C-N 3.31Å; I231-E233 PolarHBondContact O-N 3.35Å; E233-G237 CarbonylContact O-C 3.55Å; E233-G237 WeakPolarHBondContact O-CA 3.49Å; E233-G237 PolarHBondContact O-N 3.25Å; E233-I238 HydrophobicContact CB-CG1 4.34Å; E233-A241 HydrophobicContact CB-CB 4.26Å; E233-A241 HydrophobicContact CG-CB 3.75Å; E233-Q242 VanDerWaalsContact OE1-CG 3.26Å; E233-Q242 WeakPolarHBondContact OE1-CG 3.43Å; E233-Q242 PolarHBondContact OE1-NE2 3.47Å
234K97.4Very high97.7Very high157 Ų15764.6 Ų64.668%0.68334%0.338SS*.Hα-helixtrans-69.7-45.5175.2176.8-178170.2-66.90111.9K230 I231 L232K230-K234 PolarHBondContact O-N 3.46Å; I231-K234 WeakPolarHBondContact O-CB 3.38Å; I231-K234 PolarHBondContact O-N 3.47Å; I231-K234 VanDerWaalsContact O-N 3.1Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 2.87Å
235E96.9Very high97.7Very high84 Ų8465.7 Ų65.739%0.39334%0.343SS..Hα-helixtrans-83.5-32.7-173.9-55.2-50.3138.700113.6L216 I231 L232L216-E235 HydrophobicContact CD1-CB 4.09Å; L216-E235 HydrophobicContact CD1-CG 4.07Å; L216-E235 HydrophobicContact CD2-CG 4.09Å; I231-E235 HydrophobicContact CG2-CG 4.36Å; I231-E235 WeakPolarHBondContact O-CG 3.45Å; I231-E235 PolarHBondContact O-N 2.89Å; L232-E235 PolarHBondContact O-N 3.19Å
236L96.1Very high97.7Very high34 Ų3469.5 Ų69.518%0.17836%0.359CS..Hα-helixtrans-110.3-9.8-176.7-67.3174.1000114.4T209 C212 L213 L232 V240 I244T209-L236 HydrophobicContact CG2-CD1 4.28Å; C212-L236 HydrophobicContact CB-CD2 4.07Å; C212-L236 VanDerWaalsContact SG-CD2 3.54Å; L213-L236 HydrophobicContact CD2-CD1 4.06Å; L232-L236 HydrophobicContact CD1-CD1 3.83Å; L232-L236 HydrophobicContact CG-CD1 4.28Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 PolarHBondContact O-N 2.87Å; L236-V240 HydrophobicContact CB-CB 4.19Å; L236-V240 HydrophobicContact CB-CG1 4.1Å; L236-V240 WeakPolarHBondContact O-CB 3.3Å; L236-I244 HydrophobicContact CD1-CD1 3.45Å; L236-I244 VanDerWaalsContact CD1-CD1 3.45Å
237G97.6Very high97.7Very high34 Ų3464.8 Ų64.835%0.35133%0.33SS..  trans79.8141-171.300000112.7E233 S239 V240 A241E233-G237 CarbonylContact O-C 3.55Å; E233-G237 WeakPolarHBondContact O-CA 3.49Å; E233-G237 PolarHBondContact O-N 3.25Å; G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.28Å; G237-S239 VanDerWaalsContact O-N 3.14Å; G237-V240 PolarHBondContact O-N 3.22Å; G237-A241 PolarHBondContact O-N 2.87Å
238I97.7Very high97.7Very high104 Ų10462.7 Ų62.753%0.53332%0.321SS..Hα-helixtrans-42.4-54.3-171.7-57.2172.9000113.2E233 V240 A241 Q242E233-I238 HydrophobicContact CB-CG1 4.34Å; I238-V240 VanDerWaalsContact C-N 3.34Å; I238-V240 PolarHBondContact O-N 2.91Å; I238-A241 PolarHBondContact O-N 3.23Å; I238-Q242 HydrophobicContact CG2-CG 4.32Å; I238-Q242 WeakPolarHBondContact O-CB 3.41Å; I238-Q242 WeakPolarHBondContact O-CG 3.31Å; I238-Q242 PolarHBondContact O-N 3.19Å
239S96.9Very high97.7Very high96 Ų9663.9 Ų63.967%0.67132%0.32SS*.Hα-helixtrans-64.7-31.6-176-179.30000114.2G237 R243G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.28Å; G237-S239 VanDerWaalsContact O-N 3.14Å; S239-R243 VanDerWaalsContact O-CB 3.27Å; S239-R243 WeakPolarHBondContact O-CB 3.22Å
240V97.5Very high97.7Very high45 Ų4561 Ų6127%0.27330%0.301SS..Hα-helixtrans-78.7-50.4176.7179.90000109.6L236 G237 I238 R243 I244L236-V240 HydrophobicContact CB-CB 4.19Å; L236-V240 HydrophobicContact CB-CG1 4.1Å; L236-V240 WeakPolarHBondContact O-CB 3.3Å; G237-V240 PolarHBondContact O-N 3.22Å; I238-V240 VanDerWaalsContact C-N 3.34Å; I238-V240 PolarHBondContact O-N 2.91Å; V240-R243 PolarHBondContact O-N 2.92Å; V240-I244 HydrophobicContact CG1-CG2 4.29Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 WeakPolarHBondContact O-CG2 3.3Å; V240-I244 PolarHBondContact O-N 3.27Å
241A97.9Very high97.7Very high1 Ų156.7 Ų56.71%0.00828%0.284CS..Hα-helixtrans-55.4-57.2-177.700000112.6L232 E233 G237 I238 R243 I244 Q245L232-A241 VanDerWaalsContact C-CB 3.46Å; L232-A241 HydrophobicContact CB-CB 3.99Å; L232-A241 HydrophobicContact CD2-CB 3.96Å; L232-A241 HydrophobicContact CG-CB 3.7Å; L232-A241 WeakPolarHBondContact O-CB 3.48Å; E233-A241 HydrophobicContact CB-CB 4.26Å; E233-A241 HydrophobicContact CG-CB 3.75Å; G237-A241 PolarHBondContact O-N 2.87Å; I238-A241 PolarHBondContact O-N 3.23Å; A241-R243 VanDerWaalsContact C-N 3.25Å; A241-R243 PolarHBondContact O-N 3.07Å; A241-I244 WeakPolarHBondContact O-CG1 3.4Å; A241-I244 PolarHBondContact O-N 2.93Å; A241-Q245 WeakPolarHBondContact O-CB 3.5Å; A241-Q245 PolarHBondContact O-N 3.49Å
242Q97.7Very high97.6Very high96 Ų9653.9 Ų53.945%0.44927%0.27SS..Hα-helixtrans-59.7-36.3-179.7-66.7-177.8-1.100112.3E233 I238 K246E233-Q242 VanDerWaalsContact OE1-CG 3.26Å; E233-Q242 WeakPolarHBondContact OE1-CG 3.43Å; E233-Q242 PolarHBondContact OE1-NE2 3.47Å; I238-Q242 HydrophobicContact CG2-CG 4.32Å; I238-Q242 WeakPolarHBondContact O-CB 3.41Å; I238-Q242 WeakPolarHBondContact O-CG 3.31Å; I238-Q242 PolarHBondContact O-N 3.19Å; Q242-K246 WeakPolarHBondContact O-CB 3.34Å; Q242-K246 WeakPolarHBondContact O-CG 3.41Å; Q242-K246 PolarHBondContact O-N 2.99Å
243R98Very high97.5Very high108 Ų10860 Ų6041%0.40830%0.303SS..Hα-helixtrans-68.7-51.6177.4179.8179.756.876.52111.6G204 S239 V240 A241 Q245 K246 L247G204-R243 PolarHBondContact O-NH1 3.31Å; S239-R243 VanDerWaalsContact O-CB 3.27Å; S239-R243 WeakPolarHBondContact O-CB 3.22Å; V240-R243 PolarHBondContact O-N 2.92Å; A241-R243 VanDerWaalsContact C-N 3.25Å; A241-R243 PolarHBondContact O-N 3.07Å; R243-Q245 VanDerWaalsContact C-N 3.33Å; R243-Q245 PolarHBondContact O-N 3.08Å; R243-K246 PolarHBondContact O-N 3.27Å; R243-L247 HydrophobicContact CG-CD1 4.17Å; R243-L247 VanDerWaalsContact O-CG 3.31Å; R243-L247 WeakPolarHBondContact O-CG 3.48Å; R243-L247 PolarHBondContact O-N 3.1Å
244I97.9Very high97.3Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-70-32.1-175.768177000112.3I205 T209 L213 L224 L232 L236 V240 A241 L247 S248I205-I244 HydrophobicContact CD1-CB 4.01Å; I205-I244 HydrophobicContact CD1-CG2 4.4Å; I205-I244 HydrophobicContact CG1-CB 4.08Å; I205-I244 HydrophobicContact CG1-CG2 3.91Å; T209-I244 HydrophobicContact CG2-CD1 3.85Å; L213-I244 HydrophobicContact CD1-CD1 4.21Å; L213-I244 HydrophobicContact CD2-CD1 4.08Å; L224-I244 HydrophobicContact CD1-CD1 4.42Å; L224-I244 HydrophobicContact CD1-CG1 4.38Å; L224-I244 HydrophobicContact CD2-CG1 4.48Å; L232-I244 HydrophobicContact CD2-CD1 4.49Å; L232-I244 HydrophobicContact CD2-CG1 4.26Å; L236-I244 HydrophobicContact CD1-CD1 3.45Å; L236-I244 VanDerWaalsContact CD1-CD1 3.45Å; V240-I244 HydrophobicContact CG1-CG2 4.29Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 WeakPolarHBondContact O-CG2 3.3Å; V240-I244 PolarHBondContact O-N 3.27Å; A241-I244 WeakPolarHBondContact O-CG1 3.4Å; A241-I244 PolarHBondContact O-N 2.93Å; I244-L247 PolarHBondContact O-N 3.27Å; I244-S248 PolarHBondContact O-N 2.82Å
245Q98.3Very high97.1Very high23 Ų2355.8 Ų55.811%0.10730%0.297CS..Hα-helixtrans-67-41.2174.6-167.7158.850.900111L224 F227 L232 A241 R243 S248 F249L224-Q245 PolarHBondContact O-NE2 3.5Å; F227-Q245 PolarHBondContact O-NE2 2.98Å; L232-Q245 HydrophobicContact CD2-CB 4Å; A241-Q245 WeakPolarHBondContact O-CB 3.5Å; A241-Q245 PolarHBondContact O-N 3.49Å; R243-Q245 VanDerWaalsContact C-N 3.33Å; R243-Q245 PolarHBondContact O-N 3.08Å; Q245-S248 WeakPolarHBondContact O-CB 3.35Å; Q245-S248 PolarHBondContact O-N 3.27Å; Q245-S248 VanDerWaalsContact O-N 3.1Å; Q245-S248 PolarHBondContact O-OG 3.08Å; Q245-F249 HydrophobicContact CG-CE2 4.22Å; Q245-F249 VanDerWaalsContact O-CD2 3.26Å; Q245-F249 WeakPolarHBondContact O-CD2 3.47Å; Q245-F249 PolarHBondContact O-N 3.42Å
246K98.3Very high96.8Very high103 Ų10353 Ų5345%0.44829%0.286SS..Hα-helixtrans-61.4-44.1171-78.3-178173179.40113.2Q242 R243 S248 F249 G250 E251Q242-K246 WeakPolarHBondContact O-CB 3.34Å; Q242-K246 WeakPolarHBondContact O-CG 3.41Å; Q242-K246 PolarHBondContact O-N 2.99Å; R243-K246 PolarHBondContact O-N 3.27Å; K246-S248 PolarHBondContact O-N 3.23Å; K246-F249 PolarHBondContact O-N 3.03Å; K246-G250 PolarHBondContact O-N 3.48Å; K246-E251 CarbonylContact C-O 3.53Å; K246-E251 HydrophobicContact CB-CB 3.98Å; K246-E251 WeakPolarHBondContact CG-OE2 3.21Å; K246-E251 WeakPolarHBondContact O-CB 3.26Å; K246-E251 PolarHBondContact O-N 3.15Å
247L98.4Very high96.3Very high11 Ų1156.4 Ų56.46%0.05830%0.303CS..Hα-helixtrans-58.6-31.4173.5-64.5170000111.9L167 I202 R243 I244 F249 G250 D252L167-L247 HydrophobicContact CB-CD2 4.28Å; L167-L247 HydrophobicContact CD1-CD2 4.5Å; L167-L247 HydrophobicContact CD2-CB 4.14Å; L167-L247 HydrophobicContact CD2-CD2 3.74Å; L167-L247 WeakPolarHBondContact CD2-O 3.45Å; L167-L247 HydrophobicContact CG-CD2 4.39Å; I202-L247 HydrophobicContact CG2-CB 3.84Å; R243-L247 HydrophobicContact CG-CD1 4.17Å; R243-L247 VanDerWaalsContact O-CG 3.31Å; R243-L247 WeakPolarHBondContact O-CG 3.48Å; R243-L247 PolarHBondContact O-N 3.1Å; I244-L247 PolarHBondContact O-N 3.27Å; L247-F249 VanDerWaalsContact C-N 3.28Å; L247-F249 PolarHBondContact O-N 3.35Å; L247-G250 PolarHBondContact O-N 2.98Å; L247-G250 VanDerWaalsContact O-N 3.11Å; L247-D252 HydrophobicContact CD2-CB 4.06Å
248S98.4Very high95.7Very high0 Ų060.4 Ų60.40%032%0.316CS..Hα-helixtrans-69.5-18.4175.383.50000114.6I193 V221 Q225 I244 Q245 K246I193-S248 WeakPolarHBondContact CG2-O 3.12Å; V221-S248 VanDerWaalsContact CG1-O 3.3Å; V221-S248 WeakPolarHBondContact CG1-O 3.35Å; Q225-S248 WeakPolarHBondContact CG-O 3.43Å; Q225-S248 WeakPolarHBondContact CG-OG 3.43Å; Q225-S248 PolarHBondContact N-OG 3.4Å; Q225-S248 PolarHBondContact NE2-O 2.98Å; I244-S248 PolarHBondContact O-N 2.82Å; Q245-S248 WeakPolarHBondContact O-CB 3.35Å; Q245-S248 PolarHBondContact O-N 3.27Å; Q245-S248 VanDerWaalsContact O-N 3.1Å; Q245-S248 PolarHBondContact O-OG 3.08Å; K246-S248 PolarHBondContact O-N 3.23Å
249F98.2Very high94.8Very high74 Ų7458.1 Ų58.133%0.32531%0.309SS..THydrogen-bonded Turntrans-94-0.6170.3-69.5-75.4000113.3Q190 Q225 Q245 K246 L247 E251Q190-F249 PolarHBondContact NE2-O 3.5Å; Q225-F249 HydrophobicContact CB-CD1 4.4Å; Q225-F249 HydrophobicContact CB-CE1 3.68Å; Q225-F249 HydrophobicContact CB-CE2 4.14Å; Q225-F249 HydrophobicContact CB-CZ 3.53Å; Q225-F249 HydrophobicContact CG-CD1 3.76Å; Q225-F249 HydrophobicContact CG-CD2 4.32Å; Q225-F249 HydrophobicContact CG-CE1 3.55Å; Q225-F249 HydrophobicContact CG-CE2 4.13Å; Q225-F249 HydrophobicContact CG-CG 4.14Å; Q225-F249 HydrophobicContact CG-CZ 3.75Å; Q225-F249 WeakPolarHBondContact O-CZ 3.39Å; Q245-F249 HydrophobicContact CG-CE2 4.22Å; Q245-F249 VanDerWaalsContact O-CD2 3.26Å; Q245-F249 WeakPolarHBondContact O-CD2 3.47Å; Q245-F249 PolarHBondContact O-N 3.42Å; K246-F249 PolarHBondContact O-N 3.03Å; L247-F249 VanDerWaalsContact C-N 3.28Å; L247-F249 PolarHBondContact O-N 3.35Å; F249-E251 HydrophobicContact CB-CG 4.44Å
250G97.6Very high94.2Very high3 Ų355.7 Ų55.73%0.03130%0.3CS..THydrogen-bonded Turntrans85.27-172.100000114.7N165 K246 L247N165-G250 PolarHBondContact ND2-O 3.14Å; K246-G250 PolarHBondContact O-N 3.48Å; L247-G250 PolarHBondContact O-N 2.98Å; L247-G250 VanDerWaalsContact O-N 3.11Å
251E97.5Very high93.6Very high85 Ų8557.8 Ų57.840%0.39731%0.314SS..  trans-83.7116.9179.1-66.3-179.7-157.200112.1K246 F249K246-E251 CarbonylContact C-O 3.53Å; K246-E251 HydrophobicContact CB-CB 3.98Å; K246-E251 WeakPolarHBondContact CG-OE2 3.21Å; K246-E251 WeakPolarHBondContact O-CB 3.26Å; K246-E251 PolarHBondContact O-N 3.15Å; F249-E251 HydrophobicContact CB-CG 4.44Å
252D96.6Very high93.2Very high19 Ų1959.2 Ų59.210%0.10232%0.323CS..  trans-13295.9167.3172.429.1000111.4R14 N165 K166 L167 L247 S254R14-D252 PolarHBondContact NH2-O 3.49Å; N165-D252 HydrophobicContact CB-CB 4.12Å; N165-D252 WeakPolarHBondContact CB-O 3.36Å; K166-D252 WeakPolarHBondContact CB-OD2 3.29Å; K166-D252 VanDerWaalsContact CE-OD2 3.25Å; K166-D252 WeakPolarHBondContact CE-OD2 3.31Å; L167-D252 HydrophobicContact CB-CB 3.71Å; L167-D252 PolarHBondContact N-OD2 3.42Å; L247-D252 HydrophobicContact CD2-CB 4.06Å; D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 2.89Å; D252-S254 VanDerWaalsContact OD1-CB 3.24Å; D252-S254 WeakPolarHBondContact OD1-CB 3.15Å; D252-S254 PolarHBondContact OD1-N 3.14Å; D252-S254 PolarHBondContact OD1-OG 2.91Å; D252-S254 PolarHBondContact OD2-OG 3.22Å
253N94.6Very high92.9Very high128 Ų12862.6 Ų62.668%0.68434%0.339SS*.  trans-80.80.6175.9-69.5-24.2000113.7
254S93.5Very high92.8Very high47 Ų4760 Ų6033%0.32934%0.337SS..PPolyproline II helixtrans-69.6137.9-178.770.60000111.2R14 K166 D252R14-S254 PolarHBondContact NH1-O 3.16Å; K166-S254 WeakPolarHBondContact CE-O 3.49Å; K166-S254 WeakPolarHBondContact CE-OG 3.47Å; K166-S254 PolarHBondContact NZ-OG 3.1Å; D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 2.89Å; D252-S254 VanDerWaalsContact OD1-CB 3.24Å; D252-S254 WeakPolarHBondContact OD1-CB 3.15Å; D252-S254 PolarHBondContact OD1-N 3.14Å; D252-S254 PolarHBondContact OD1-OG 2.91Å; D252-S254 PolarHBondContact OD2-OG 3.22Å
255P93.5Very high92.6Very high77 Ų7760.4 Ų60.450%0.534%0.339SS..PPolyproline II helixtrans-70.9164.1-177.629-35.3000111.6K166 I257K166-P255 WeakPolarHBondContact CE-O 3.4Å; K166-P255 PolarHBondContact NZ-O 3.48Å; P255-I257 HydrophobicContact CG-CD1 4.3Å; P255-I257 HydrophobicContact CG-CG1 4.02Å
256V90.1Very high92.5Very high26 Ų2662.1 Ų62.116%0.15835%0.354CS..PPolyproline II helixtrans-82.2127.3163.8-159.70000106.8I16 K166 A590 S592I16-V256 HydrophobicContact CD1-CG2 3.65Å; K166-V256 HydrophobicContact CD-CG2 4.17Å; K166-V256 HydrophobicContact CG-CG2 4.19Å; V256-A590 HydrophobicContact CB-CB 4.32Å; V256-A590 VanDerWaalsContact CB-O 3.29Å; V256-A590 WeakPolarHBondContact CB-O 3.49Å; V256-A590 VanDerWaalsContact CG1-O 3.31Å; V256-A590 WeakPolarHBondContact CG1-O 3.39Å; V256-S592 WeakPolarHBondContact CG1-OG 3.35Å
257I87.1Confident92.3Very high104 Ų10459 Ų5953%0.53334%0.34SS..  trans-117.7109.8-168.1-57.3175.9000109.3P255 S259 S592P255-I257 HydrophobicContact CG-CD1 4.3Å; P255-I257 HydrophobicContact CG-CG1 4.02Å; I257-S259 PolarHBondContact O-N 3.33Å; I257-S259 PolarHBondContact O-OG 3.03Å; I257-S592 WeakPolarHBondContact O-CB 3.21Å
258L83.3Confident92.1Very high118 Ų11863 Ų6362%0.61836%0.359SS*.  trans-44.6112.5174.2-72.1166.9000109.6V591L258-V591 VanDerWaalsContact CA-O 3.31Å; L258-V591 WeakPolarHBondContact CA-O 3.5Å; L258-V591 PolarHBondContact N-O 3.1Å
259S79.1Confident91.9Very high56 Ų5663.8 Ų63.839%0.39236%0.363SS..  trans-78.9-32.7-168.3-54.80000111.4I257I257-S259 PolarHBondContact O-N 3.33Å; I257-S259 PolarHBondContact O-OG 3.03Å
260G83.9Confident91.7Very high46 Ų4661.9 Ų61.947%0.47436%0.359SS..  trans61-166.5175.100000114
261P86.6Confident91.5Very high89 Ų8963.2 Ų63.258%0.57836%0.364SS*.SBendtrans-59.4137.9174.2-25.436.2000111.6R300P261-R300 VanDerWaalsContact CB-CZ 3.46Å
262P89.8Confident91.2Very high31 Ų3166.5 Ų66.520%0.20138%0.377CS..  trans-51.9139.7-172.1-29.433.9000114.5Y93 S264 F265 R300 L376Y93-P262 HydrophobicContact CE1-CG 4.23Å; Y93-P262 WeakPolarHBondContact OH-CG 3.46Å; P262-S264 VanDerWaalsContact C-N 3.33Å; P262-F265 HydrophobicContact CB-CD1 4.31Å; P262-F265 HydrophobicContact CB-CE1 3.79Å; P262-F265 HydrophobicContact CG-CE1 3.94Å; P262-R300 VanDerWaalsContact O-CZ 3.31Å; P262-R300 PolarHBondContact O-NH1 3.21Å; P262-R300 PolarHBondContact O-NH2 3Å; P262-L376 VanDerWaalsContact O-CD1 3.31Å; P262-L376 WeakPolarHBondContact O-CD1 3.48Å
263Q91.2Very high91Very high167 Ų16771 Ų7178%0.7840%0.396SS*.SBendtrans-77.5-18.8179.1-61.8-177.30.700113.4
264S94.4Very high91.1Very high53 Ų5365 Ų6537%0.37136%0.363SS..EExtended strand (participates in β ladder)trans-151.8159.9176.859.80000112.1P262 F373P262-S264 VanDerWaalsContact C-N 3.33Å; S264-F373 CarbonylContact C-O 3.51Å; S264-F373 WeakPolarHBondContact CA-O 3.43Å; S264-F373 WeakPolarHBondContact CB-O 3.5Å
265F93.8Very high91.2Very high9 Ų965.1 Ų65.14%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-123.7114.8168.9-60.9-48.1000109.7P262 L291 V295 D298 C372 F373 L376P262-F265 HydrophobicContact CB-CD1 4.31Å; P262-F265 HydrophobicContact CB-CE1 3.79Å; P262-F265 HydrophobicContact CG-CE1 3.94Å; F265-L291 HydrophobicContact CB-CD2 3.84Å; F265-L291 WeakPolarHBondContact O-CD2 3.27Å; F265-V295 HydrophobicContact CD2-CG2 3.85Å; F265-V295 HydrophobicContact CE2-CG2 4.4Å; F265-D298 HydrophobicContact CE2-CB 3.8Å; F265-D298 HydrophobicContact CZ-CB 3.66Å; F265-D298 VanDerWaalsContact CZ-CG 3.49Å; F265-D298 WeakPolarHBondContact CZ-OD2 3.43Å; F265-C372 CarbonylContact O-C 3.48Å; F265-C372 WeakPolarHBondContact O-CA 3.42Å; F265-F373 PolarHBondContact N-O 2.86Å; F265-F373 PolarHBondContact O-N 2.86Å; F265-L376 HydrophobicContact CD2-CD1 3.77Å; F265-L376 HydrophobicContact CD2-CD2 4.01Å; F265-L376 HydrophobicContact CE2-CD1 3.64Å; F265-L376 HydrophobicContact CE2-CD2 3.88Å; F265-L376 HydrophobicContact CE2-CG 4.44Å; F265-L376 HydrophobicContact CG-CD1 4.3Å; F265-L376 HydrophobicContact CZ-CD1 4.08Å
266S95.8Very high91.3Very high59 Ų5963.9 Ų63.941%0.41336%0.358SS..EExtended strand (participates in β ladder)trans-118.5155.9171.856.30000111.7R294 V371S266-R294 PolarHBondContact O-NH1 3.33Å; S266-R294 VanDerWaalsContact O-NH1 3.13Å; S266-V371 VanDerWaalsContact CA-O 3.3Å; S266-V371 WeakPolarHBondContact CA-O 3.26Å
267E94.9Very high91.6Very high36 Ų3664.8 Ų64.817%0.16836%0.36CS..EExtended strand (participates in β ladder)trans-135.8149.1161.5-66-169.7-178.200108.8L287 S290 L291 R294 S370 V371E267-L287 HydrophobicContact CB-CD2 3.76Å; E267-S290 PolarHBondContact OE1-OG 3.48Å; E267-S290 WeakPolarHBondContact OE2-CB 3.15Å; E267-S290 PolarHBondContact OE2-OG 2.8Å; E267-L291 HydrophobicContact CB-CD1 4.42Å; E267-L291 HydrophobicContact CB-CG 4.28Å; E267-L291 HydrophobicContact CG-CD2 3.89Å; E267-L291 HydrophobicContact CG-CG 3.98Å; E267-R294 WeakPolarHBondContact OE1-CD 3.39Å; E267-R294 IonicContact OE1-CZ 3.78Å; E267-R294 IonicContact OE1-NE 3.29Å; E267-R294 IonicContact OE1-NH1 3.27Å; E267-R294 PolarHBondContact OE1-NH1 3.49Å; E267-S370 WeakPolarHBondContact O-CA 3.47Å; E267-S370 VanDerWaalsContact O-CB 3.26Å; E267-S370 WeakPolarHBondContact O-CB 3.24Å; E267-S370 PolarHBondContact O-OG 3.04Å; E267-V371 PolarHBondContact N-O 3.46Å; E267-V371 VanDerWaalsContact N-O 3.12Å; E267-V371 PolarHBondContact O-N 3Å
268E94.9Very high92.1Very high95 Ų9564.6 Ų64.644%0.44436%0.364SS..EExtended strand (participates in β ladder)trans-137.6135.718069.3177.1-124.100111.3R320 L368 L369E268-R320 IonicContact OE1-CZ 2.78Å; E268-R320 IonicContact OE1-NH1 3.36Å; E268-R320 IonicContact OE1-NH2 2.8Å; E268-R320 PolarHBondContact OE1-NH2 3.33Å; E268-R320 IonicContact OE2-CZ 3.2Å; E268-R320 IonicContact OE2-NH1 3.7Å; E268-R320 PolarHBondContact OE2-NH1 2.88Å; E268-R320 IonicContact OE2-NH2 2.69Å; E268-R320 PolarHBondContact OE2-NH2 2.96Å; E268-R320 VanDerWaalsContact OE2-NH2 3.17Å; E268-L368 HydrophobicContact CB-CD2 4.48Å; E268-L369 WeakPolarHBondContact CA-O 3.45Å
269D94.6Very high92.7Very high18 Ų1861.9 Ų61.910%0.09635%0.348CS..EExtended strand (participates in β ladder)trans-110.3130.6168.4-175.129.9000109.4K46 F271 K283 L287 L368 L369K46-D269 WeakPolarHBondContact CE-OD1 3.39Å; K46-D269 IonicContact NZ-OD1 2.72Å; K46-D269 PolarHBondContact NZ-OD1 3.18Å; D269-F271 HydrophobicContact CB-CD1 4.33Å; D269-F271 HydrophobicContact CB-CE1 4.49Å; D269-F271 WeakPolarHBondContact O-CE1 3.4Å; D269-F271 WeakPolarHBondContact OD2-CD1 3.45Å; D269-K283 WeakPolarHBondContact OD2-CE 3.1Å; D269-K283 IonicContact OD2-NZ 2.82Å; D269-K283 PolarHBondContact OD2-NZ 3.24Å; D269-L287 HydrophobicContact CB-CD2 4.44Å; D269-L368 VanDerWaalsContact O-CA 3.29Å; D269-L368 WeakPolarHBondContact O-CA 3.15Å; D269-L369 PolarHBondContact N-O 3.35Å; D269-L369 PolarHBondContact O-N 3.4Å
270S93.4Very high93.6Very high34 Ų3459.2 Ų59.224%0.23833%0.33CS..EExtended strand (participates in β ladder)trans-111.4122.9175.2-81.80000110.1K46 R310K46-S270 WeakPolarHBondContact CD-O 3.27Å; K46-S270 WeakPolarHBondContact CE-O 3.47Å; S270-R310 PolarHBondContact OG-NH2 3.35Å
271F92.9Very high94.2Very high31 Ų3161 Ų6114%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-134.6160.6-172.640.4-99.6000111.1D269 C274 K283 L366 T367 L368 L369D269-F271 HydrophobicContact CB-CD1 4.33Å; D269-F271 HydrophobicContact CB-CE1 4.49Å; D269-F271 WeakPolarHBondContact O-CE1 3.4Å; D269-F271 WeakPolarHBondContact OD2-CD1 3.45Å; F271-C274 HydrophobicContact CD2-CB 3.79Å; F271-C274 HydrophobicContact CE2-CB 3.28Å; F271-C274 HydrophobicContact CZ-CB 3.82Å; F271-K283 HydrophobicContact CD1-CD 3.85Å; F271-K283 HydrophobicContact CE1-CD 3.77Å; F271-L366 VanDerWaalsContact CE2-C 3.47Å; F271-L366 HydrophobicContact CE2-CB 3.92Å; F271-L366 VanDerWaalsContact CE2-O 3.28Å; F271-L366 WeakPolarHBondContact CE2-O 3.07Å; F271-L366 HydrophobicContact CZ-CB 4.31Å; F271-T367 PolarHBondContact N-O 2.88Å; F271-T367 VanDerWaalsContact O-CA 3.31Å; F271-T367 WeakPolarHBondContact O-CA 3.42Å; F271-L368 VanDerWaalsContact CZ-C 3.47Å; F271-L369 HydrophobicContact CE1-CB 4Å; F271-L369 HydrophobicContact CE1-CD1 4.13Å; F271-L369 HydrophobicContact CE1-CG 4.21Å; F271-L369 HydrophobicContact CZ-CB 4.14Å; F271-L369 HydrophobicContact CZ-CD1 3.88Å; F271-L369 HydrophobicContact CZ-CG 3.89Å
272K90.9Very high94.8Very high153 Ų15360.4 Ų60.467%0.66532%0.316SS*.EExtended strand (participates in β ladder)trans-65.3-42.1-179.2-78.6175.5168.6167.90112.6Y47 H365Y47-K272 HydrophobicContact CE2-CD 4.4Å; Y47-K272 HydrophobicContact CE2-CG 4.29Å; Y47-K272 VanDerWaalsContact OH-CE 3.22Å; Y47-K272 WeakPolarHBondContact OH-CE 3.31Å; Y47-K272 PolarHBondContact OH-NZ 3.47Å; Y47-K272 VanDerWaalsContact OH-NZ 3.15Å; K272-H365 PolarHBondContact O-NE2 2.77Å
273K93.6Very high95.1Very high115 Ų11560.7 Ų60.750%0.531%0.314SS..EExtended strand (participates in β ladder)trans-155.3136.1-179.9-175.3174-171.2-173.40108.2S275 L366K273-S275 VanDerWaalsContact CE-OG 3.28Å; K273-S275 WeakPolarHBondContact CE-OG 3.38Å; K273-L366 CarbonylContact C-O 3.59Å; K273-L366 WeakPolarHBondContact CA-O 3.45Å
274C95.3Very high95.4Very high0 Ų052.7 Ų52.70%028%0.277CS..EExtended strand (participates in β ladder)trans-127132152.31660000107.2F271 E279 L366F271-C274 HydrophobicContact CD2-CB 3.79Å; F271-C274 HydrophobicContact CE2-CB 3.28Å; F271-C274 HydrophobicContact CZ-CB 3.82Å; C274-E279 VanDerWaalsContact CA-CD 3.49Å; C274-E279 WeakPolarHBondContact CA-OE1 3.47Å; C274-E279 WeakPolarHBondContact CA-OE2 3.44Å; C274-E279 HydrophobicContact CB-CG 4.25Å; C274-E279 PolarHBondContact SG-OE2 3.04Å; C274-L366 HydrophobicContact CB-CB 4.33Å; C274-L366 PolarHBondContact N-O 3Å; C274-L366 PolarHBondContact O-N 2.98Å
275S95.1Very high95.5Very high50 Ų5053 Ų5335%0.3527%0.272SS..  trans-146.17.5-169.752.20000115.2K273 E279 F364K273-S275 VanDerWaalsContact CE-OG 3.28Å; K273-S275 WeakPolarHBondContact CE-OG 3.38Å; S275-E279 PolarHBondContact N-OE2 2.98Å; S275-F364 WeakPolarHBondContact CA-O 3.4Å; S275-F364 WeakPolarHBondContact CB-O 3.44Å
276S96.6Very high95.6Very high52 Ų5257.9 Ų57.936%0.36430%0.295SS..SBendtrans-123.2153.116873.60000111.2V278 E279 A280S276-V278 VanDerWaalsContact C-N 3.32Å; S276-E279 PolarHBondContact N-OE2 3.18Å; S276-E279 WeakPolarHBondContact OG-CB 3.34Å; S276-E279 PolarHBondContact OG-N 3.17Å; S276-A280 PolarHBondContact O-N 2.99Å; S276-A280 VanDerWaalsContact O-N 3.15Å
277E96.8Very high95.6Very high44 Ų4455.8 Ų55.821%0.20628%0.279CS..Hα-helixtrans-67.1-34.6177.4-174.5173.2-15800112.1A280 K281 M351 F354 R355 V360E277-A280 PolarHBondContact O-N 3.34Å; E277-K281 WeakPolarHBondContact O-CB 3.11Å; E277-K281 PolarHBondContact O-N 2.88Å; E277-M351 HydrophobicContact CG-CE 3.37Å; E277-M351 WeakPolarHBondContact OE1-CE 3.28Å; E277-F354 HydrophobicContact CG-CE1 4.26Å; E277-R355 IonicContact OE1-CZ 3.61Å; E277-R355 VanDerWaalsContact OE1-CZ 3.27Å; E277-R355 IonicContact OE1-NE 3.66Å; E277-R355 PolarHBondContact OE1-NE 3.39Å; E277-R355 IonicContact OE1-NH2 2.76Å; E277-R355 PolarHBondContact OE1-NH2 2.73Å; E277-R355 IonicContact OE2-CZ 3.37Å; E277-R355 IonicContact OE2-NE 3.74Å; E277-R355 IonicContact OE2-NH2 3.75Å; E277-R355 PolarHBondContact OE2-NH2 3.37Å; E277-V360 HydrophobicContact CB-CG1 4.26Å; E277-V360 HydrophobicContact CG-CG1 4.3Å
278V96.9Very high95.6Very high101 Ų10154 Ų5461%0.61227%0.271SS*.Hα-helixtrans-64-46.2177.9-177.90000110.7S276 A280 K281 N282S276-V278 VanDerWaalsContact C-N 3.32Å; V278-A280 VanDerWaalsContact C-N 3.34Å; V278-A280 PolarHBondContact O-N 3.07Å; V278-K281 WeakPolarHBondContact O-CB 3.49Å; V278-K281 PolarHBondContact O-N 2.93Å; V278-N282 VanDerWaalsContact O-CG 3.26Å; V278-N282 PolarHBondContact O-N 2.82Å; V278-N282 PolarHBondContact O-OD1 2.88Å
279E96.6Very high95.6Very high61 Ų6151 Ų5129%0.28526%0.263SS..Hα-helixtrans-59.3-43.4174.3-178.6-170.3-16700112C274 S275 S276 K281 N282 K283C274-E279 VanDerWaalsContact CA-CD 3.49Å; C274-E279 WeakPolarHBondContact CA-OE1 3.47Å; C274-E279 WeakPolarHBondContact CA-OE2 3.44Å; C274-E279 HydrophobicContact CB-CG 4.25Å; C274-E279 PolarHBondContact SG-OE2 3.04Å; S275-E279 PolarHBondContact N-OE2 2.98Å; S276-E279 PolarHBondContact N-OE2 3.18Å; S276-E279 WeakPolarHBondContact OG-CB 3.34Å; S276-E279 PolarHBondContact OG-N 3.17Å; E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 2.87Å; E279-N282 PolarHBondContact O-N 2.84Å; E279-K283 WeakPolarHBondContact O-CG 3.4Å; E279-K283 PolarHBondContact O-N 3.11Å; E279-K283 VanDerWaalsContact O-N 3.1Å
280A97.2Very high95.4Very high0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-63.9-38.7176.100000112.4S276 E277 V278 I284 F354 L369S276-A280 PolarHBondContact O-N 2.99Å; S276-A280 VanDerWaalsContact O-N 3.15Å; E277-A280 PolarHBondContact O-N 3.34Å; V278-A280 VanDerWaalsContact C-N 3.34Å; V278-A280 PolarHBondContact O-N 3.07Å; A280-I284 WeakPolarHBondContact O-CB 3.43Å; A280-I284 WeakPolarHBondContact O-CD1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.17Å; A280-I284 PolarHBondContact O-N 2.88Å; A280-F354 HydrophobicContact CB-CD2 4.25Å; A280-F354 HydrophobicContact CB-CE1 4.23Å; A280-F354 HydrophobicContact CB-CE2 3.51Å; A280-F354 HydrophobicContact CB-CZ 3.51Å; A280-L369 HydrophobicContact CB-CD1 4.17Å
281K97.9Very high95.4Very high82 Ų8250.4 Ų50.436%0.35726%0.259SS..Hα-helixtrans-62.4-51.5174.8-178.3-173.7159.7177.70111.3E277 V278 E279 K283 I284 E285 V347 M351E277-K281 WeakPolarHBondContact O-CB 3.11Å; E277-K281 PolarHBondContact O-N 2.88Å; V278-K281 WeakPolarHBondContact O-CB 3.49Å; V278-K281 PolarHBondContact O-N 2.93Å; E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 2.87Å; K281-K283 VanDerWaalsContact C-N 3.26Å; K281-K283 PolarHBondContact O-N 3.31Å; K281-I284 CarbonylContact O-C 3.6Å; K281-I284 WeakPolarHBondContact O-CA 3.41Å; K281-I284 WeakPolarHBondContact O-CB 3.37Å; K281-I284 PolarHBondContact O-N 3.11Å; K281-E285 VanDerWaalsContact CE-CD 3.45Å; K281-E285 WeakPolarHBondContact CE-OE1 3.37Å; K281-E285 IonicContact NZ-OE1 3.59Å; K281-E285 PolarHBondContact NZ-OE1 3.07Å; K281-E285 PolarHBondContact O-N 3.15Å; K281-V347 HydrophobicContact CD-CG1 4.36Å; K281-V347 HydrophobicContact CG-CG1 3.96Å; K281-M351 HydrophobicContact CB-CE 3.96Å; K281-M351 HydrophobicContact CB-CG 4.47Å; K281-M351 HydrophobicContact CB-SD 3.77Å; K281-M351 HydrophobicContact CG-CG 4.25Å; K281-M351 HydrophobicContact CG-SD 4.13Å
282N97.6Very high95.4Very high77 Ų7750 Ų5041%0.41226%0.258SS..Hα-helixtrans-58.1-41.8-179.2-64.79.9000110.9V278 E279 I284 E285 E286V278-N282 VanDerWaalsContact O-CG 3.26Å; V278-N282 PolarHBondContact O-N 2.82Å; V278-N282 PolarHBondContact O-OD1 2.88Å; E279-N282 PolarHBondContact O-N 2.84Å; N282-I284 VanDerWaalsContact C-N 3.33Å; N282-I284 PolarHBondContact O-N 3.45Å; N282-E285 WeakPolarHBondContact O-CB 3.41Å; N282-E285 PolarHBondContact O-N 3.21Å; N282-E286 WeakPolarHBondContact O-CG 3.47Å; N282-E286 PolarHBondContact O-N 2.81Å
283K97.1Very high95.4Very high37 Ų3746.4 Ų46.416%0.16125%0.247CC..Hα-helixtrans-66.8-31.1175.2-69.7-160.6158.8-64.90114.1D269 F271 E279 K281 E286 L287 L369D269-K283 WeakPolarHBondContact OD2-CE 3.1Å; D269-K283 IonicContact OD2-NZ 2.82Å; D269-K283 PolarHBondContact OD2-NZ 3.24Å; F271-K283 HydrophobicContact CD1-CD 3.85Å; F271-K283 HydrophobicContact CE1-CD 3.77Å; E279-K283 WeakPolarHBondContact O-CG 3.4Å; E279-K283 PolarHBondContact O-N 3.11Å; E279-K283 VanDerWaalsContact O-N 3.1Å; K281-K283 VanDerWaalsContact C-N 3.26Å; K281-K283 PolarHBondContact O-N 3.31Å; K283-E286 IonicContact NZ-OE2 2.64Å; K283-E286 PolarHBondContact NZ-OE2 3.37Å; K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 WeakPolarHBondContact O-CD1 3.32Å; K283-L287 VanDerWaalsContact O-CG 3.25Å; K283-L287 WeakPolarHBondContact O-CG 3.46Å; K283-L287 PolarHBondContact O-N 3.42Å; K283-L287 VanDerWaalsContact O-N 3.17Å; K283-L369 HydrophobicContact CB-CD1 3.83Å; K283-L369 HydrophobicContact CD-CD1 4.43Å
284I97.8Very high95.2Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-69.1-39.2171.9-79.1165.5000110.6A280 K281 N282 L288 L307 L350 M351 L369 V371A280-I284 WeakPolarHBondContact O-CB 3.43Å; A280-I284 WeakPolarHBondContact O-CD1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.17Å; A280-I284 PolarHBondContact O-N 2.88Å; K281-I284 CarbonylContact O-C 3.6Å; K281-I284 WeakPolarHBondContact O-CA 3.41Å; K281-I284 WeakPolarHBondContact O-CB 3.37Å; K281-I284 PolarHBondContact O-N 3.11Å; N282-I284 VanDerWaalsContact C-N 3.33Å; N282-I284 PolarHBondContact O-N 3.45Å; I284-L288 WeakPolarHBondContact O-CB 3.48Å; I284-L288 PolarHBondContact O-N 3.47Å; I284-L307 HydrophobicContact CD1-CD1 3.93Å; I284-L307 HydrophobicContact CD1-CD2 4.05Å; I284-L307 HydrophobicContact CG1-CD1 4.04Å; I284-L350 HydrophobicContact CG2-CB 3.7Å; I284-L350 HydrophobicContact CG2-CD1 3.71Å; I284-L350 HydrophobicContact CG2-CG 4.31Å; I284-M351 HydrophobicContact CD1-SD 3.69Å; I284-L369 HydrophobicContact CD1-CD2 4.33Å; I284-L369 HydrophobicContact CG1-CD2 4.38Å; I284-V371 HydrophobicContact CG1-CG2 4.48Å
285E96.8Very high95Very high59 Ų5942.3 Ų42.328%0.27623%0.229SC..Hα-helixtrans-65.3-44.5174.8-75.5169.6163.100112.1K281 N282 L288 A289 V347K281-E285 VanDerWaalsContact CE-CD 3.45Å; K281-E285 WeakPolarHBondContact CE-OE1 3.37Å; K281-E285 IonicContact NZ-OE1 3.59Å; K281-E285 PolarHBondContact NZ-OE1 3.07Å; K281-E285 PolarHBondContact O-N 3.15Å; N282-E285 WeakPolarHBondContact O-CB 3.41Å; N282-E285 PolarHBondContact O-N 3.21Å; E285-L288 PolarHBondContact O-N 3.5Å; E285-A289 PolarHBondContact O-N 3Å; E285-V347 HydrophobicContact CG-CB 4.48Å; E285-V347 HydrophobicContact CG-CG1 4.13Å; E285-V347 HydrophobicContact CG-CG2 3.47Å; E285-V347 VanDerWaalsContact CG-CG2 3.47Å
286E95.3Very high94.7Very high112 Ų11242.4 Ų42.452%0.52323%0.228SC..Hα-helixtrans-53.5-56.4172.9-72.9164.7-171.700111.8N282 K283 L288 A289N282-E286 WeakPolarHBondContact O-CG 3.47Å; N282-E286 PolarHBondContact O-N 2.81Å; K283-E286 IonicContact NZ-OE2 2.64Å; K283-E286 PolarHBondContact NZ-OE2 3.37Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.32Å; E286-A289 PolarHBondContact O-N 3.45Å
287L96.3Very high94.4Very high14 Ų1447.3 Ų47.37%0.07325%0.245CC..Hα-helixtrans-64.2-35.7-179.5-69.2169.2000112.5E267 D269 K283 L291 L369 V371E267-L287 HydrophobicContact CB-CD2 3.76Å; D269-L287 HydrophobicContact CB-CD2 4.44Å; K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 WeakPolarHBondContact O-CD1 3.32Å; K283-L287 VanDerWaalsContact O-CG 3.25Å; K283-L287 WeakPolarHBondContact O-CG 3.46Å; K283-L287 PolarHBondContact O-N 3.42Å; K283-L287 VanDerWaalsContact O-N 3.17Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 WeakPolarHBondContact O-CD1 3.2Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.9Å; L287-L369 HydrophobicContact CD1-CB 4.24Å; L287-V371 HydrophobicContact CB-CB 4.36Å; L287-V371 HydrophobicContact CB-CG2 4.07Å; L287-V371 HydrophobicContact CD1-CG2 4.28Å
288L95.1Very high94.1Very high0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-72.1-38.2-178.8179.161000111.9I284 E285 E286 S290 L291 L292 M343 M346 V347 L350 F373I284-L288 WeakPolarHBondContact O-CB 3.48Å; I284-L288 PolarHBondContact O-N 3.47Å; E285-L288 PolarHBondContact O-N 3.5Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.32Å; L288-S290 PolarHBondContact O-N 3.27Å; L288-L291 PolarHBondContact O-N 2.97Å; L288-L292 HydrophobicContact CD1-CD1 4.09Å; L288-L292 HydrophobicContact CD1-CD2 4.26Å; L288-L292 HydrophobicContact CD1-CG 3.86Å; L288-L292 HydrophobicContact CG-CD1 3.87Å; L288-L292 HydrophobicContact CG-CG 4.13Å; L288-L292 WeakPolarHBondContact O-CB 3.16Å; L288-L292 VanDerWaalsContact O-CG 3.23Å; L288-L292 WeakPolarHBondContact O-CG 3.16Å; L288-L292 PolarHBondContact O-N 3.44Å; L288-M343 HydrophobicContact CB-SD 4.25Å; L288-M343 HydrophobicContact CD2-SD 3.49Å; L288-M343 WeakPolarHBondContact CD2-SD 3.5Å; L288-M343 HydrophobicContact CG-SD 3.81Å; L288-M346 HydrophobicContact CD1-CB 4.24Å; L288-M346 HydrophobicContact CD2-CB 3.57Å; L288-V347 HydrophobicContact CD2-CG2 3.77Å; L288-L350 HydrophobicContact CD1-CD1 4.46Å; L288-L350 HydrophobicContact CD2-CD1 4.21Å; L288-F373 HydrophobicContact CD1-CE2 4.14Å; L288-F373 HydrophobicContact CD1-CZ 3.72Å
289A93.2Very high93.7Very high32 Ų3244.9 Ų44.926%0.26424%0.241SC..Hα-helixtrans-58.1-49.1178.500000112.3E285 E286 L292 N293 M343E285-A289 PolarHBondContact O-N 3Å; E286-A289 PolarHBondContact O-N 3.45Å; A289-L292 PolarHBondContact O-N 2.93Å; A289-N293 PolarHBondContact O-N 2.78Å; A289-N293 PolarHBondContact O-ND2 2.89Å; A289-M343 HydrophobicContact CB-CE 3.89Å
290S91.4Very high93.5Very high38 Ų3843.9 Ų43.927%0.26624%0.235SC..Hα-helixtrans-63.5-44.8176.5177.90000112.2E267 L288 L292 N293 R294E267-S290 PolarHBondContact OE1-OG 3.48Å; E267-S290 WeakPolarHBondContact OE2-CB 3.15Å; E267-S290 PolarHBondContact OE2-OG 2.8Å; L288-S290 PolarHBondContact O-N 3.27Å; S290-L292 PolarHBondContact O-N 3.03Å; S290-N293 PolarHBondContact O-N 3.38Å; S290-R294 WeakPolarHBondContact O-CG 3.33Å; S290-R294 PolarHBondContact O-N 3.23Å
291L93.1Very high93.2Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-63.1-36.6176.9-78.9171.5000113.7F265 E267 L287 L288 R294 V295 V371 F373F265-L291 HydrophobicContact CB-CD2 3.84Å; F265-L291 WeakPolarHBondContact O-CD2 3.27Å; E267-L291 HydrophobicContact CB-CD1 4.42Å; E267-L291 HydrophobicContact CB-CG 4.28Å; E267-L291 HydrophobicContact CG-CD2 3.89Å; E267-L291 HydrophobicContact CG-CG 3.98Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 WeakPolarHBondContact O-CD1 3.2Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.9Å; L288-L291 PolarHBondContact O-N 2.97Å; L291-R294 PolarHBondContact O-N 3.32Å; L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 3.27Å; L291-V371 HydrophobicContact CD1-CB 3.7Å; L291-V371 HydrophobicContact CD1-CG1 3.69Å; L291-V371 WeakPolarHBondContact CD1-O 3.4Å; L291-F373 HydrophobicContact CB-CD2 3.98Å; L291-F373 HydrophobicContact CB-CE2 3.81Å
292L92.4Very high93.1Very high22 Ų2241.6 Ų41.612%0.11523%0.225CC..Hα-helixtrans-65.3-42.1176-74.4172.9000111.4L288 A289 S290 V295 C296 L335 V342 M343 F373L288-L292 HydrophobicContact CD1-CD1 4.09Å; L288-L292 HydrophobicContact CD1-CD2 4.26Å; L288-L292 HydrophobicContact CD1-CG 3.86Å; L288-L292 HydrophobicContact CG-CD1 3.87Å; L288-L292 HydrophobicContact CG-CG 4.13Å; L288-L292 WeakPolarHBondContact O-CB 3.16Å; L288-L292 VanDerWaalsContact O-CG 3.23Å; L288-L292 WeakPolarHBondContact O-CG 3.16Å; L288-L292 PolarHBondContact O-N 3.44Å; A289-L292 PolarHBondContact O-N 2.93Å; S290-L292 PolarHBondContact O-N 3.03Å; L292-V295 PolarHBondContact O-N 2.8Å; L292-C296 WeakPolarHBondContact O-CB 3.26Å; L292-C296 PolarHBondContact O-N 3.39Å; L292-L335 HydrophobicContact CD2-CD2 3.26Å; L292-V342 HydrophobicContact CD2-CG1 4.14Å; L292-M343 HydrophobicContact CD1-CE 4.09Å; L292-M343 HydrophobicContact CD1-SD 4.35Å; L292-F373 HydrophobicContact CD2-CE2 4.38Å; L292-F373 HydrophobicContact CD2-CZ 4.21Å
293N90.6Very high93Very high79 Ų7940.5 Ų40.542%0.42222%0.217SC..Hα-helixtrans-60.8-45174.6-70.3-22.1000111.4A289 S290 V295 C296 Q297A289-N293 PolarHBondContact O-N 2.78Å; A289-N293 PolarHBondContact O-ND2 2.89Å; S290-N293 PolarHBondContact O-N 3.38Å; N293-V295 PolarHBondContact O-N 3.11Å; N293-C296 WeakPolarHBondContact O-CB 3.35Å; N293-C296 PolarHBondContact O-N 3.11Å; N293-C296 VanDerWaalsContact O-N 3.14Å; N293-Q297 WeakPolarHBondContact O-CG 3.43Å; N293-Q297 PolarHBondContact O-N 3.01Å
294R90.4Very high93.1Very high27 Ų2739.5 Ų39.510%0.10221%0.214CC..Hα-helixtrans-64.1-39.3177.1-69.817256.8-162.1-8.5113.2S266 E267 S290 L291 C296 Q297 D298S266-R294 PolarHBondContact O-NH1 3.33Å; S266-R294 VanDerWaalsContact O-NH1 3.13Å; E267-R294 WeakPolarHBondContact OE1-CD 3.39Å; E267-R294 IonicContact OE1-CZ 3.78Å; E267-R294 IonicContact OE1-NE 3.29Å; E267-R294 IonicContact OE1-NH1 3.27Å; E267-R294 PolarHBondContact OE1-NH1 3.49Å; S290-R294 WeakPolarHBondContact O-CG 3.33Å; S290-R294 PolarHBondContact O-N 3.23Å; L291-R294 PolarHBondContact O-N 3.32Å; R294-C296 VanDerWaalsContact C-N 3.31Å; R294-Q297 PolarHBondContact O-N 2.97Å; R294-D298 WeakPolarHBondContact O-CB 3.41Å; R294-D298 PolarHBondContact O-N 2.9Å; R294-D298 VanDerWaalsContact O-N 3.08Å
295V91.2Very high93.1Very high2 Ų239.5 Ų39.51%0.01221%0.214CC..Hα-helixtrans-64.6-36.6172.3165.80000111.4F265 L291 L292 N293 G299 P302 F373F265-V295 HydrophobicContact CD2-CG2 3.85Å; F265-V295 HydrophobicContact CE2-CG2 4.4Å; L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 3.27Å; L292-V295 PolarHBondContact O-N 2.8Å; N293-V295 PolarHBondContact O-N 3.11Å; V295-G299 PolarHBondContact O-N 3.1Å; V295-G299 VanDerWaalsContact O-N 3.12Å; V295-P302 HydrophobicContact CG1-CG 4.28Å; V295-P302 HydrophobicContact CG2-CG 4.21Å; V295-F373 HydrophobicContact CG2-CD2 3.67Å; V295-F373 HydrophobicContact CG2-CE2 4.08Å; V295-F373 HydrophobicContact CG2-CG 4.36Å
296C89.5Confident93.1Very high51 Ų5140.8 Ų40.835%0.34522%0.216SC..Hα-helixtrans-67.3-37.3176.6-159.70000112.5L292 N293 R294 G336L292-C296 WeakPolarHBondContact O-CB 3.26Å; L292-C296 PolarHBondContact O-N 3.39Å; N293-C296 WeakPolarHBondContact O-CB 3.35Å; N293-C296 PolarHBondContact O-N 3.11Å; N293-C296 VanDerWaalsContact O-N 3.14Å; R294-C296 VanDerWaalsContact C-N 3.31Å; C296-G336 PolarHBondContact SG-O 2.73Å; C296-G336 VanDerWaalsContact SG-O 3.39Å
297Q88.9Confident93.3Very high155 Ų15535.5 Ų35.572%0.72419%0.191SC*.Hα-helixtrans-72.1-38.3177.3-71.4169.2-20.800113.1N293 R294N293-Q297 WeakPolarHBondContact O-CG 3.43Å; N293-Q297 PolarHBondContact O-N 3.01Å; R294-Q297 PolarHBondContact O-N 2.97Å
298D89.9Confident93.4Very high50 Ų5036.1 Ų36.127%0.26720%0.195SC..Hα-helixtrans-76.8-24.6179173.6-90.2000113.4F265 R294 R300F265-D298 HydrophobicContact CE2-CB 3.8Å; F265-D298 HydrophobicContact CZ-CB 3.66Å; F265-D298 VanDerWaalsContact CZ-CG 3.49Å; F265-D298 WeakPolarHBondContact CZ-OD2 3.43Å; R294-D298 WeakPolarHBondContact O-CB 3.41Å; R294-D298 PolarHBondContact O-N 2.9Å; R294-D298 VanDerWaalsContact O-N 3.08Å; D298-R300 VanDerWaalsContact CG-NE 3.34Å; D298-R300 PolarHBondContact O-N 3.12Å; D298-R300 WeakPolarHBondContact OD1-CB 3.31Å; D298-R300 VanDerWaalsContact OD1-CG 3.28Å; D298-R300 WeakPolarHBondContact OD1-CG 3.38Å; D298-R300 IonicContact OD1-CZ 2.68Å; D298-R300 PolarHBondContact OD1-N 3.45Å; D298-R300 IonicContact OD1-NE 3.18Å; D298-R300 PolarHBondContact OD1-NE 3.38Å; D298-R300 IonicContact OD1-NH2 2.67Å; D298-R300 PolarHBondContact OD1-NH2 3.37Å; D298-R300 IonicContact OD2-CZ 2.99Å; D298-R300 IonicContact OD2-NE 2.71Å; D298-R300 PolarHBondContact OD2-NE 2.98Å; D298-R300 VanDerWaalsContact OD2-NE 3.11Å; D298-R300 IonicContact OD2-NH2 3.95Å; D298-R300 PolarHBondContact OD2-NH2 2.62Å
299G89.6Confident93.5Very high44 Ų4436.1 Ų36.145%0.45420%0.195SC..  trans73.7-15.8175.800000115.6V295V295-G299 PolarHBondContact O-N 3.1Å; V295-G299 VanDerWaalsContact O-N 3.12Å
300R91.7Very high93.6Very high41 Ų4137.2 Ų37.216%0.15519%0.192CC..PPolyproline II helixtrans-79.8140.3172.7-53.3175.2-69.31442.7109.9P261 P262 D298 L376 K377P261-R300 VanDerWaalsContact CB-CZ 3.46Å; P262-R300 VanDerWaalsContact O-CZ 3.31Å; P262-R300 PolarHBondContact O-NH1 3.21Å; P262-R300 PolarHBondContact O-NH2 3Å; D298-R300 VanDerWaalsContact CG-NE 3.34Å; D298-R300 PolarHBondContact O-N 3.12Å; D298-R300 WeakPolarHBondContact OD1-CB 3.31Å; D298-R300 VanDerWaalsContact OD1-CG 3.28Å; D298-R300 WeakPolarHBondContact OD1-CG 3.38Å; D298-R300 IonicContact OD1-CZ 2.68Å; D298-R300 PolarHBondContact OD1-N 3.45Å; D298-R300 IonicContact OD1-NE 3.18Å; D298-R300 PolarHBondContact OD1-NE 3.38Å; D298-R300 IonicContact OD1-NH2 2.67Å; D298-R300 PolarHBondContact OD1-NH2 3.37Å; D298-R300 IonicContact OD2-CZ 2.99Å; D298-R300 IonicContact OD2-NE 2.71Å; D298-R300 PolarHBondContact OD2-NE 2.98Å; D298-R300 VanDerWaalsContact OD2-NE 3.11Å; D298-R300 IonicContact OD2-NH2 3.95Å; D298-R300 PolarHBondContact OD2-NH2 2.62Å; R300-L376 HydrophobicContact CB-CB 4.3Å; R300-L376 HydrophobicContact CB-CD2 4.4Å; R300-K377 CarbonylContact C-O 3.56Å; R300-K377 WeakPolarHBondContact CA-O 3.31Å; R300-K377 WeakPolarHBondContact CB-O 3.11Å
301K92.4Very high93.7Very high34 Ų3439.8 Ų39.815%0.14820%0.196CC..EExtended strand (participates in β ladder)trans-96.6122.6-174-71170.4175.1-79.10110.7H303 I332 Q333 L335 K377 L379K301-H303 PolarHBondContact O-CE1 3Å; K301-H303 PolarHBondContact O-ND1 3.36Å; K301-I332 HydrophobicContact CB-CG2 4Å; K301-I332 HydrophobicContact CD-CG2 4.24Å; K301-I332 WeakPolarHBondContact CD-O 3.34Å; K301-I332 PolarHBondContact NZ-O 3Å; K301-Q333 PolarHBondContact NZ-O 3.09Å; K301-L335 PolarHBondContact NZ-O 2.89Å; K301-K377 PolarHBondContact N-O 2.99Å; K301-K377 PolarHBondContact O-N 3.11Å; K301-L379 HydrophobicContact CD-CD1 4.28Å
302P95.3Very high93.6Very high0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-73.3144.6176.230.4-34000110.8V295 I327 L335 F373 L376V295-P302 HydrophobicContact CG1-CG 4.28Å; V295-P302 HydrophobicContact CG2-CG 4.21Å; P302-I327 HydrophobicContact CB-CD1 4.3Å; P302-I327 HydrophobicContact CG-CD1 4.19Å; P302-L335 HydrophobicContact CG-CD1 3.99Å; P302-F373 HydrophobicContact CB-CB 3.75Å; P302-F373 HydrophobicContact CB-CD1 3.97Å; P302-F373 HydrophobicContact CB-CG 4.06Å; P302-F373 HydrophobicContact CG-CB 4.06Å; P302-F373 HydrophobicContact CG-CD1 3.74Å; P302-F373 HydrophobicContact CG-CD2 4.47Å; P302-F373 HydrophobicContact CG-CE1 4.26Å; P302-F373 HydrophobicContact CG-CG 3.86Å; P302-L376 HydrophobicContact CB-CD2 3.86Å; P302-L376 HydrophobicContact CB-CG 4.46Å; P302-L376 HydrophobicContact CG-CD2 4.34Å
303H95.7Very high93.2Very high54 Ų5447.5 Ų47.525%0.2523%0.233CC..EExtended strand (participates in β ladder)trans-110.6-3.8-179.6-72.362.8000112.9K301 P326 I327 I332 C374 N375K301-H303 PolarHBondContact O-CE1 3Å; K301-H303 PolarHBondContact O-ND1 3.36Å; H303-P326 WeakPolarHBondContact O-CA 3.42Å; H303-I327 PolarHBondContact O-N 2.86Å; H303-I327 VanDerWaalsContact O-N 3.14Å; H303-I332 HydrophobicContact CB-CD1 4.39Å; H303-C374 PolarHBondContact N-O 3.29Å; H303-N375 HydrophobicContact CB-CB 4.14Å; H303-N375 WeakPolarHBondContact CB-O 3.27Å; H303-N375 PolarHBondContact N-O 2.9Å; H303-N375 PolarHBondContact ND1-O 2.9Å
304T97.6Very high92.6Very high16 Ų1649 Ų4910%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-144.5135.4-177.7-60.10000109.6Q324 C325 C374 N375T304-Q324 HydrophobicContact CG2-CB 4.28Å; T304-Q324 HydrophobicContact CG2-CG 4.5Å; T304-C325 WeakPolarHBondContact CA-O 3.37Å; T304-C374 PolarHBondContact N-O 3.17Å; T304-C374 PolarHBondContact O-N 2.8Å; T304-N375 PolarHBondContact OG1-ND2 3.38Å
305V98Very high91.6Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-114.6139.417266.80000109.4Q324 C325 I327 M346 I349 L350 L353 V371 C372 F373V305-Q324 CarbonylContact O-C 3.47Å; V305-Q324 WeakPolarHBondContact O-CA 3.46Å; V305-Q324 VanDerWaalsContact O-CB 3.31Å; V305-Q324 WeakPolarHBondContact O-CB 3.38Å; V305-C325 PolarHBondContact N-O 2.91Å; V305-C325 PolarHBondContact O-N 2.81Å; V305-I327 HydrophobicContact CB-CD1 4.12Å; V305-I327 HydrophobicContact CB-CG1 3.98Å; V305-I327 HydrophobicContact CG1-CG1 4.04Å; V305-M346 HydrophobicContact CB-CE 3.97Å; V305-M346 HydrophobicContact CG1-CE 4.03Å; V305-M346 HydrophobicContact CG2-CE 3.83Å; V305-I349 HydrophobicContact CG1-CG2 3.73Å; V305-L350 HydrophobicContact CG2-CD2 3.71Å; V305-L350 HydrophobicContact CG2-CG 4.3Å; V305-L353 HydrophobicContact CG1-CD1 4.45Å; V305-V371 HydrophobicContact CG2-CG1 4.34Å; V305-C372 CarbonylContact C-O 3.59Å; V305-C372 WeakPolarHBondContact CA-O 3.43Å; V305-F373 HydrophobicContact CB-CD1 4.27Å; V305-F373 HydrophobicContact CB-CE1 4.29Å; V305-F373 HydrophobicContact CG2-CD1 4.18Å; V305-F373 HydrophobicContact CG2-CE1 4.06Å
306R98.5Very high90.1Very high86 Ų8662.3 Ų62.333%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-125.6134.6176.8179.3-175.6-67.9-165.31.9109.4I308 R323 Q324 C372R306-I308 HydrophobicContact CG-CG1 3.95Å; R306-R323 WeakPolarHBondContact CA-O 3.33Å; R306-R323 WeakPolarHBondContact CG-O 3.28Å; R306-Q324 HydrophobicContact CB-CB 3.81Å; R306-Q324 HydrophobicContact CG-CB 4.09Å; R306-Q324 VanDerWaalsContact CZ-OE1 3.3Å; R306-C372 HydrophobicContact CB-CB 4.28Å; R306-C372 PolarHBondContact N-O 3.29Å; R306-C372 PolarHBondContact O-N 2.78Å
307L98.5Very high88.8Confident0 Ų066.3 Ų66.30%032%0.323CS..EExtended strand (participates in β ladder)trans-104.4136.6165.4-175.567.4000108.7I284 S322 R323 L350 L353 F354 M357 L369 V371I284-L307 HydrophobicContact CD1-CD1 3.93Å; I284-L307 HydrophobicContact CD1-CD2 4.05Å; I284-L307 HydrophobicContact CG1-CD1 4.04Å; L307-S322 WeakPolarHBondContact O-CA 3.37Å; L307-S322 VanDerWaalsContact O-CB 3.26Å; L307-S322 WeakPolarHBondContact O-CB 3.26Å; L307-R323 PolarHBondContact N-O 3.17Å; L307-R323 PolarHBondContact O-N 3.35Å; L307-L350 HydrophobicContact CB-CD2 3.97Å; L307-L350 HydrophobicContact CD1-CD2 4.31Å; L307-L350 WeakPolarHBondContact CD2-O 3.38Å; L307-L353 HydrophobicContact CB-CB 4.17Å; L307-L353 HydrophobicContact CB-CD1 4.39Å; L307-L353 HydrophobicContact CD2-CB 4.39Å; L307-F354 HydrophobicContact CD2-CB 3.69Å; L307-F354 HydrophobicContact CD2-CD2 4.23Å; L307-F354 HydrophobicContact CD2-CG 4.49Å; L307-M357 HydrophobicContact CB-CE 4.11Å; L307-M357 HydrophobicContact CD2-CE 3.71Å; L307-M357 HydrophobicContact CG-CE 3.86Å; L307-L369 HydrophobicContact CD1-CD2 4.12Å; L307-V371 HydrophobicContact CD1-CG2 4.12Å
308I98.4Very high87.8Confident28 Ų2866.1 Ų66.114%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-125.3136.1178.6-46.7177.4000108.2R306 R320 E321 S370R306-I308 HydrophobicContact CG-CG1 3.95Å; I308-R320 HydrophobicContact CG2-CB 4.09Å; I308-E321 CarbonylContact C-O 3.33Å; I308-E321 VanDerWaalsContact CA-O 3.3Å; I308-E321 WeakPolarHBondContact CA-O 3.33Å; I308-E321 VanDerWaalsContact CG2-O 3.29Å; I308-E321 WeakPolarHBondContact CG2-O 3.43Å; I308-S370 PolarHBondContact N-O 2.9Å; I308-S370 PolarHBondContact O-N 3.27Å
309I97.1Very high87.5Confident0 Ų065.9 Ų65.90%033%0.327CS..EExtended strand (participates in β ladder)trans-126.3154.6175.766.5175.4000110.8R320 E321 M357 V358 L366 L368 L369I309-R320 CarbonylContact O-C 3.59Å; I309-R320 WeakPolarHBondContact O-CA 3.48Å; I309-E321 HydrophobicContact CD1-CB 4.36Å; I309-E321 HydrophobicContact CG1-CB 3.81Å; I309-E321 PolarHBondContact N-O 2.85Å; I309-E321 PolarHBondContact O-N 2.68Å; I309-M357 HydrophobicContact CD1-CB 3.76Å; I309-M357 HydrophobicContact CD1-CE 4.44Å; I309-M357 HydrophobicContact CD1-SD 4.12Å; I309-M357 HydrophobicContact CG1-CE 4.4Å; I309-M357 HydrophobicContact CG1-SD 4.07Å; I309-M357 HydrophobicContact CG2-CE 3.94Å; I309-V358 HydrophobicContact CD1-CG2 3.79Å; I309-L366 HydrophobicContact CB-CD1 4.27Å; I309-L366 HydrophobicContact CB-CD2 4.32Å; I309-L366 HydrophobicContact CD1-CD2 4.12Å; I309-L366 HydrophobicContact CG2-CD1 4.06Å; I309-L368 WeakPolarHBondContact CA-O 3.03Å; I309-L369 HydrophobicContact CG2-CD2 3.87Å
310R95.6Very high87.6Confident54 Ų5469.4 Ų69.420%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-122.6125.8162.2-173.6177.258-151.2-11.2107.5S270 L366 T367 L368S270-R310 PolarHBondContact OG-NH2 3.35Å; R310-L366 CarbonylContact O-C 3.55Å; R310-L366 WeakPolarHBondContact O-CA 3.34Å; R310-T367 WeakPolarHBondContact CG-OG1 3.08Å; R310-T367 PolarHBondContact NE-OG1 3.29Å; R310-T367 PolarHBondContact NH2-O 3.34Å; R310-T367 PolarHBondContact O-N 3.44Å; R310-T367 PolarHBondContact O-OG1 3.29Å; R310-L368 HydrophobicContact CB-CB 3.56Å; R310-L368 PolarHBondContact N-O 3Å; R310-L368 VanDerWaalsContact N-O 3.15Å
311R93.3Very high87.8Confident92 Ų9270.4 Ų70.435%0.34733%0.333SS..EExtended strand (participates in β ladder)trans-75.4165.1170.3-58.7-171-160.3-101.2-9.7110.1E321 M357 H365 L366 T367R311-E321 IonicContact CZ-OE1 3.4Å; R311-E321 IonicContact CZ-OE2 2.63Å; R311-E321 IonicContact NE-OE1 2.68Å; R311-E321 PolarHBondContact NE-OE1 2.82Å; R311-E321 IonicContact NE-OE2 2.69Å; R311-E321 IonicContact NH2-OE1 3.17Å; R311-E321 PolarHBondContact NH2-OE1 3.03Å; R311-E321 IonicContact NH2-OE2 3.44Å; R311-E321 PolarHBondContact NH2-OE2 3.22Å; R311-M357 PolarHBondContact NH2-O 3.47Å; R311-H365 CarbonylContact C-O 3.52Å; R311-H365 WeakPolarHBondContact CA-O 3.33Å; R311-L366 HydrophobicContact CG-CD2 3.96Å; R311-T367 PolarHBondContact O-OG1 3.02Å
312Y91.4Very high88Confident130 Ų13070.9 Ų70.951%0.5134%0.34SS..  trans-70.5144.3158.1-179.2-100.8000109.5H365 T367Y312-H365 VanDerWaalsContact CB-CG 3.49Å; Y312-H365 AromaticContact CD2-CE1 3.81Å; Y312-H365 AromaticContact CG-CE1 3.66Å; Y312-H365 AromaticContact CG-ND1 3.76Å; Y312-H365 PolarHBondContact N-O 2.97Å; Y312-T367 HydrophobicContact CD2-CG2 4.17Å
313S83.3Confident88.1Confident55 Ų5576.5 Ų76.539%0.38536%0.361SS..  trans-141.7143.3165.2-175.90000107.8E315S313-E315 VanDerWaalsContact C-N 3.28Å; S313-E315 PolarHBondContact OG-N 3.29Å
314S77.4Confident88.3Confident111 Ų11178.6 Ų78.678%0.77637%0.371SS*.SBendtrans-72.8-26.8173.6-51.10000111.5
315E69.6Low88.3Confident129 Ų12979.5 Ų79.560%0.60338%0.378SS*.SBendtrans-81.5160.8174.2-62.3174.2-174.500111.4S313 H317S313-E315 VanDerWaalsContact C-N 3.28Å; S313-E315 PolarHBondContact OG-N 3.29Å; E315-H317 HydrophobicContact CB-CB 4.45Å; E315-H317 PolarHBondContact O-N 3.32Å; E315-H317 IonicContact OE2-CE1 2.74Å; E315-H317 PolarHBondContact OE2-CE1 3.47Å; E315-H317 IonicContact OE2-CG 2.71Å; E315-H317 IonicContact OE2-ND1 3.81Å; E315-H317 PolarHBondContact OE2-ND1 3.25Å
316K60.8Low88.3Confident178 Ų17884.3 Ų84.377%0.77441%0.409SS*.SBendtrans-71.326.7173.9-64.1178.7-178.6175.10113.7Y318K316-Y318 HydrophobicContact CB-CE2 4.37Å; K316-Y318 VanDerWaalsContact O-CD2 3.24Å; K316-Y318 WeakPolarHBondContact O-CD2 3.27Å; K316-Y318 WeakPolarHBondContact O-CE2 3.47Å; K316-Y318 PolarHBondContact O-N 2.99Å
317H60.9Low88.2Confident136 Ų13680.6 Ų80.663%0.6340%0.395SS*.  trans-83.390.5177.7-85.9120.1000111.3E315 G319E315-H317 HydrophobicContact CB-CB 4.45Å; E315-H317 PolarHBondContact O-N 3.32Å; E315-H317 IonicContact OE2-CE1 2.74Å; E315-H317 PolarHBondContact OE2-CE1 3.47Å; E315-H317 IonicContact OE2-CG 2.71Å; E315-H317 IonicContact OE2-ND1 3.81Å; E315-H317 PolarHBondContact OE2-ND1 3.25Å; H317-G319 PolarHBondContact O-N 2.98Å
318Y68.3Low88Confident150 Ų15082.9 Ų82.959%0.58841%0.41SS*.  trans-71.942177.9-54.5-70.9000114.4K316 R320K316-Y318 HydrophobicContact CB-CE2 4.37Å; K316-Y318 VanDerWaalsContact O-CD2 3.24Å; K316-Y318 WeakPolarHBondContact O-CD2 3.27Å; K316-Y318 WeakPolarHBondContact O-CE2 3.47Å; K316-Y318 PolarHBondContact O-N 2.99Å; Y318-R320 PolarHBondContact O-N 3.42Å
319G83.6Confident87.7Confident46 Ų4685.6 Ų85.647%0.47443%0.432SS..PPolyproline II helixtrans-62118.9-178.400000112.6H317H317-G319 PolarHBondContact O-N 2.98Å
320R93Very high87.3Confident118 Ų11891.2 Ų91.245%0.44546%0.458SS..EExtended strand (participates in β ladder)trans-103.1121.5168.1-66.8-173.3179.8-144.92.4109.2E268 I308 I309 Y318E268-R320 IonicContact OE1-CZ 2.78Å; E268-R320 IonicContact OE1-NH1 3.36Å; E268-R320 IonicContact OE1-NH2 2.8Å; E268-R320 PolarHBondContact OE1-NH2 3.33Å; E268-R320 IonicContact OE2-CZ 3.2Å; E268-R320 IonicContact OE2-NH1 3.7Å; E268-R320 PolarHBondContact OE2-NH1 2.88Å; E268-R320 IonicContact OE2-NH2 2.69Å; E268-R320 PolarHBondContact OE2-NH2 2.96Å; E268-R320 VanDerWaalsContact OE2-NH2 3.17Å; I308-R320 HydrophobicContact CG2-CB 4.09Å; I309-R320 CarbonylContact O-C 3.59Å; I309-R320 WeakPolarHBondContact O-CA 3.48Å; Y318-R320 PolarHBondContact O-N 3.42Å
321E94.8Very high87.2Confident62 Ų6288.9 Ų88.929%0.2945%0.45SS..EExtended strand (participates in β ladder)trans-93.2153.7171.3-73.3166.4-10800110.2I308 I309 R311 M357I308-E321 CarbonylContact C-O 3.33Å; I308-E321 VanDerWaalsContact CA-O 3.3Å; I308-E321 WeakPolarHBondContact CA-O 3.33Å; I308-E321 VanDerWaalsContact CG2-O 3.29Å; I308-E321 WeakPolarHBondContact CG2-O 3.43Å; I309-E321 HydrophobicContact CD1-CB 4.36Å; I309-E321 HydrophobicContact CG1-CB 3.81Å; I309-E321 PolarHBondContact N-O 2.85Å; I309-E321 PolarHBondContact O-N 2.68Å; R311-E321 IonicContact CZ-OE1 3.4Å; R311-E321 IonicContact CZ-OE2 2.63Å; R311-E321 IonicContact NE-OE1 2.68Å; R311-E321 PolarHBondContact NE-OE1 2.82Å; R311-E321 IonicContact NE-OE2 2.69Å; R311-E321 IonicContact NH2-OE1 3.17Å; R311-E321 PolarHBondContact NH2-OE1 3.03Å; R311-E321 IonicContact NH2-OE2 3.44Å; R311-E321 PolarHBondContact NH2-OE2 3.22Å; E321-M357 HydrophobicContact CB-SD 4.3Å
322S97.3Very high87Confident43 Ų4385.5 Ų85.530%0.30144%0.438SS..EExtended strand (participates in β ladder)trans-150.3158.2171.765.10000113.6L307L307-S322 WeakPolarHBondContact O-CA 3.37Å; L307-S322 VanDerWaalsContact O-CB 3.26Å; L307-S322 WeakPolarHBondContact O-CB 3.26Å
323R98.1Very high86.8Confident118 Ų11886.1 Ų86.145%0.44545%0.446SS..EExtended strand (participates in β ladder)trans-137.4151.5167.7-63.2-67.8-178.6-92.6-0.5108.8R306 L307 L353 M357R306-R323 WeakPolarHBondContact CA-O 3.33Å; R306-R323 WeakPolarHBondContact CG-O 3.28Å; L307-R323 PolarHBondContact N-O 3.17Å; L307-R323 PolarHBondContact O-N 3.35Å; R323-L353 HydrophobicContact CB-CB 4.31Å; R323-L353 HydrophobicContact CB-CD2 3.95Å; R323-M357 HydrophobicContact CB-CE 4.49Å; R323-M357 HydrophobicContact CB-CG 4.39Å; R323-M357 HydrophobicContact CB-SD 4.25Å; R323-M357 HydrophobicContact CG-CE 4.43Å; R323-M357 HydrophobicContact CG-CG 3.4Å; R323-M357 HydrophobicContact CG-SD 3.71Å
324Q98.1Very high86.9Confident99 Ų9988 Ų8846%0.46345%0.447SS..EExtended strand (participates in β ladder)trans-143.1157.5179.569.1178.631.100111.3T304 V305 R306T304-Q324 HydrophobicContact CG2-CB 4.28Å; T304-Q324 HydrophobicContact CG2-CG 4.5Å; V305-Q324 CarbonylContact O-C 3.47Å; V305-Q324 WeakPolarHBondContact O-CA 3.46Å; V305-Q324 VanDerWaalsContact O-CB 3.31Å; V305-Q324 WeakPolarHBondContact O-CB 3.38Å; R306-Q324 HydrophobicContact CB-CB 3.81Å; R306-Q324 HydrophobicContact CG-CB 4.09Å; R306-Q324 VanDerWaalsContact CZ-OE1 3.3Å
325C97.8Very high87.1Confident34 Ų3482.8 Ų82.823%0.2341%0.411CS..EExtended strand (participates in β ladder)trans-147.5160.617265.90000111T304 V305 I349 L353T304-C325 WeakPolarHBondContact CA-O 3.37Å; V305-C325 PolarHBondContact N-O 2.91Å; V305-C325 PolarHBondContact O-N 2.81Å; C325-I349 WeakPolarHBondContact SG-CG2 3.34Å; C325-L353 HydrophobicContact CB-CD2 4.3Å
326P97.8Very high87.1Confident101 Ų10178.5 Ų78.566%0.65640%0.401SS*.EExtended strand (participates in β ladder)trans-60.1149.9164.927.8-35.6000110.7H303H303-P326 WeakPolarHBondContact O-CA 3.42Å
327I96.5Very high87.6Confident8 Ų874.8 Ų74.84%0.04139%0.393CS..PPolyproline II helixtrans-86.2135.6171-57.7173.3000107.9P302 H303 V305 V331 I332 L335 M346 F373P302-I327 HydrophobicContact CB-CD1 4.3Å; P302-I327 HydrophobicContact CG-CD1 4.19Å; H303-I327 PolarHBondContact O-N 2.86Å; H303-I327 VanDerWaalsContact O-N 3.14Å; V305-I327 HydrophobicContact CB-CD1 4.12Å; V305-I327 HydrophobicContact CB-CG1 3.98Å; V305-I327 HydrophobicContact CG1-CG1 4.04Å; I327-V331 HydrophobicContact CG2-CB 3.95Å; I327-V331 HydrophobicContact CG2-CG1 3.97Å; I327-I332 HydrophobicContact CB-CD1 4.07Å; I327-I332 HydrophobicContact CB-CG1 3.83Å; I327-I332 HydrophobicContact CG2-CD1 4.46Å; I327-I332 HydrophobicContact CG2-CG1 3.69Å; I327-I332 VanDerWaalsContact O-CD1 3.31Å; I327-I332 WeakPolarHBondContact O-CD1 3.38Å; I327-L335 HydrophobicContact CD1-CD1 4.23Å; I327-L335 HydrophobicContact CG2-CD1 4.3Å; I327-M346 HydrophobicContact CD1-CE 4.44Å; I327-M346 HydrophobicContact CG2-SD 3.89Å; I327-F373 HydrophobicContact CD1-CD1 3.85Å; I327-F373 HydrophobicContact CD1-CE1 3.77Å
328P95.4Very high87.8Confident48 Ų4871 Ų7131%0.31239%0.391SS..PPolyproline II helixtrans-60.8140.4178.7-22.832.9000112.4H330 V331 I332 I349P328-H330 VanDerWaalsContact C-N 3.31Å; P328-H330 PolarHBondContact O-N 3.37Å; P328-V331 HydrophobicContact CB-CG2 4.1Å; P328-V331 HydrophobicContact CG-CG2 4.27Å; P328-V331 WeakPolarHBondContact O-CA 3.33Å; P328-V331 WeakPolarHBondContact O-CB 3.28Å; P328-V331 PolarHBondContact O-N 3.1Å; P328-I332 PolarHBondContact O-N 3.44Å; P328-I349 HydrophobicContact CG-CD1 3.95Å
329S91.6Very high87.8Confident85 Ų8567.3 Ų67.359%0.59438%0.381SS*.Hα-helixtrans-56.7-38.5-173.851.20000114.2V331 I332 Q333S329-V331 VanDerWaalsContact C-N 3.28Å; S329-V331 PolarHBondContact O-N 3.49Å; S329-I332 PolarHBondContact O-N 3.17Å; S329-Q333 WeakPolarHBondContact O-CG 3.13Å; S329-Q333 PolarHBondContact O-N 3.45Å
330H89.8Confident87.1Confident118 Ų11872.2 Ų72.255%0.54639%0.387SS..Hα-helixtrans-67.5-26.717662.2-100.3000113.1P328P328-H330 VanDerWaalsContact C-N 3.31Å; P328-H330 PolarHBondContact O-N 3.37Å
331V92Very high86.5Confident6 Ų670.8 Ų70.84%0.03639%0.388CS..Hα-helixtrans-77.3-42.9171.8-174.90000109.9I327 P328 S329 Q333 K334 L335 V342 P345 M346I327-V331 HydrophobicContact CG2-CB 3.95Å; I327-V331 HydrophobicContact CG2-CG1 3.97Å; P328-V331 HydrophobicContact CB-CG2 4.1Å; P328-V331 HydrophobicContact CG-CG2 4.27Å; P328-V331 WeakPolarHBondContact O-CA 3.33Å; P328-V331 WeakPolarHBondContact O-CB 3.28Å; P328-V331 PolarHBondContact O-N 3.1Å; S329-V331 VanDerWaalsContact C-N 3.28Å; S329-V331 PolarHBondContact O-N 3.49Å; V331-Q333 PolarHBondContact O-N 2.83Å; V331-K334 PolarHBondContact O-N 3.25Å; V331-K334 VanDerWaalsContact O-N 3.08Å; V331-L335 PolarHBondContact O-N 3.08Å; V331-V342 HydrophobicContact CG1-CG1 3.77Å; V331-P345 HydrophobicContact CG2-CB 4.13Å; V331-M346 HydrophobicContact CG1-CG 4.05Å; V331-M346 HydrophobicContact CG1-SD 3.88Å
332I90.3Very high86.3Confident21 Ų2168 Ų6811%0.10838%0.375CS..Hα-helixtrans-57.2-36.3174.4-62.3178.7000111.8K301 H303 I327 P328 S329 L335K301-I332 HydrophobicContact CB-CG2 4Å; K301-I332 HydrophobicContact CD-CG2 4.24Å; K301-I332 WeakPolarHBondContact CD-O 3.34Å; K301-I332 PolarHBondContact NZ-O 3Å; H303-I332 HydrophobicContact CB-CD1 4.39Å; I327-I332 HydrophobicContact CB-CD1 4.07Å; I327-I332 HydrophobicContact CB-CG1 3.83Å; I327-I332 HydrophobicContact CG2-CD1 4.46Å; I327-I332 HydrophobicContact CG2-CG1 3.69Å; I327-I332 VanDerWaalsContact O-CD1 3.31Å; I327-I332 WeakPolarHBondContact O-CD1 3.38Å; P328-I332 PolarHBondContact O-N 3.44Å; S329-I332 PolarHBondContact O-N 3.17Å; I332-L335 PolarHBondContact O-N 3.28Å
333Q85.9Confident86Confident142 Ų14267.6 Ų67.666%0.66437%0.369SS*.Hα-helixtrans-62-43.7175.4-75.9169.6-5.800112.2K301 S329 V331K301-Q333 PolarHBondContact NZ-O 3.09Å; S329-Q333 WeakPolarHBondContact O-CG 3.13Å; S329-Q333 PolarHBondContact O-N 3.45Å; V331-Q333 PolarHBondContact O-N 2.83Å
334K85.8Confident85.8Confident95 Ų9566.3 Ų66.341%0.41337%0.374SS..Hα-helixtrans-77.4-24.4177.8-67-169.8173.3-1620114.8V331 G336 T337 D341 V342V331-K334 PolarHBondContact O-N 3.25Å; V331-K334 VanDerWaalsContact O-N 3.08Å; K334-G336 PolarHBondContact O-N 2.86Å; K334-T337 PolarHBondContact O-N 2.97Å; K334-T337 PolarHBondContact O-OG1 3.49Å; K334-D341 HydrophobicContact CD-CB 4.39Å; K334-D341 IonicContact NZ-OD2 3.25Å; K334-D341 PolarHBondContact NZ-OD2 2.92Å; K334-V342 HydrophobicContact CB-CG2 3.38Å; K334-V342 HydrophobicContact CD-CG2 4.3Å; K334-V342 HydrophobicContact CG-CG2 4.5Å
335L82.6Confident85.7Confident2 Ų263.9 Ų63.91%0.0137%0.367CS..THydrogen-bonded Turntrans-57.9128177.7-84.2173.3000111.4L292 K301 P302 I327 V331 I332 V342L292-L335 HydrophobicContact CD2-CD2 3.26Å; K301-L335 PolarHBondContact NZ-O 2.89Å; P302-L335 HydrophobicContact CG-CD1 3.99Å; I327-L335 HydrophobicContact CD1-CD1 4.23Å; I327-L335 HydrophobicContact CG2-CD1 4.3Å; V331-L335 PolarHBondContact O-N 3.08Å; I332-L335 PolarHBondContact O-N 3.28Å; L335-V342 HydrophobicContact CD2-CG1 3.6Å; L335-V342 HydrophobicContact CG-CG1 4.03Å
336G68.9Low85.5Confident39 Ų3962.3 Ų62.340%0.40236%0.356SS..THydrogen-bonded Turntrans82.17.2-179.200000115.5C296 K334 G338C296-G336 PolarHBondContact SG-O 2.73Å; C296-G336 VanDerWaalsContact SG-O 3.39Å; K334-G336 PolarHBondContact O-N 2.86Å; G336-G338 VanDerWaalsContact C-N 3.31Å
337T70.9Confident85.5Confident99 Ų9957.6 Ų57.661%0.60733%0.326SS*.SBendtrans-94.119.9172.3-40.50000112.1K334 N339K334-T337 PolarHBondContact O-N 2.97Å; K334-T337 PolarHBondContact O-OG1 3.49Å; T337-N339 PolarHBondContact O-N 3.24Å
338G65.3Low85.5Confident57 Ų5762 Ų6259%0.58835%0.35SS*.SBendtrans63.91.6-177.400000116.3G336G336-G338 VanDerWaalsContact C-N 3.31Å
339N67.9Low85.6Confident72 Ų7261.1 Ų61.139%0.38534%0.342SS..  trans-92122-172.1-175.4-5.4000112.4T337 D341T337-N339 PolarHBondContact O-N 3.24Å; N339-D341 VanDerWaalsContact C-N 3.25Å; N339-D341 VanDerWaalsContact ND2-CG 3.28Å; N339-D341 PolarHBondContact ND2-OD2 3.06Å; N339-D341 PolarHBondContact O-N 3.42Å; N339-D341 VanDerWaalsContact OD1-CB 3.3Å; N339-D341 WeakPolarHBondContact OD1-CB 3.47Å; N339-D341 PolarHBondContact OD1-N 3.31Å; N339-D341 PolarHBondContact OD1-OD1 2.84Å
340Y69.5Low86Confident150 Ų15057.1 Ų57.159%0.58831%0.314SS*.G310 helixtrans-70.2-9.8178-70.8-84.1000114.9V342 M343Y340-V342 PolarHBondContact O-N 3.46Å; Y340-M343 VanDerWaalsContact O-CB 3.27Å; Y340-M343 WeakPolarHBondContact O-CB 3.32Å; Y340-M343 PolarHBondContact O-N 2.85Å
341D80.9Confident86.4Confident88 Ų8852.4 Ų52.447%0.47129%0.292SS..G310 helixtrans-48.5-22.4168.6-79.5-6.4000114K334 N339 M343 P345K334-D341 HydrophobicContact CD-CB 4.39Å; K334-D341 IonicContact NZ-OD2 3.25Å; K334-D341 PolarHBondContact NZ-OD2 2.92Å; N339-D341 VanDerWaalsContact C-N 3.25Å; N339-D341 VanDerWaalsContact ND2-CG 3.28Å; N339-D341 PolarHBondContact ND2-OD2 3.06Å; N339-D341 PolarHBondContact O-N 3.42Å; N339-D341 VanDerWaalsContact OD1-CB 3.3Å; N339-D341 WeakPolarHBondContact OD1-CB 3.47Å; N339-D341 PolarHBondContact OD1-N 3.31Å; N339-D341 PolarHBondContact OD1-OD1 2.84Å; D341-M343 VanDerWaalsContact C-N 3.32Å; D341-P345 VanDerWaalsContact O-CD 3.27Å; D341-P345 WeakPolarHBondContact O-CD 3.27Å
342V90.1Very high86.7Confident3 Ų359 Ų592%0.01832%0.321CS..G310 helixtrans-77-18.6180177.70000112.6L292 V331 K334 L335 Y340 M346L292-V342 HydrophobicContact CD2-CG1 4.14Å; V331-V342 HydrophobicContact CG1-CG1 3.77Å; K334-V342 HydrophobicContact CB-CG2 3.38Å; K334-V342 HydrophobicContact CD-CG2 4.3Å; K334-V342 HydrophobicContact CG-CG2 4.5Å; L335-V342 HydrophobicContact CD2-CG1 3.6Å; L335-V342 HydrophobicContact CG-CG1 4.03Å; Y340-V342 PolarHBondContact O-N 3.46Å; V342-M346 HydrophobicContact CG1-CG 3.72Å; V342-M346 WeakPolarHBondContact O-CB 3.32Å; V342-M346 VanDerWaalsContact O-CG 3.27Å; V342-M346 WeakPolarHBondContact O-CG 3.48Å; V342-M346 PolarHBondContact O-N 3.19Å
343M91.5Very high87Confident34 Ų3458.6 Ų58.617%0.16732%0.318CS..Hα-helixtrans-58.8-62.4-177.2-173.464.778.600111.3L288 A289 L292 Y340 D341 M346 V347L288-M343 HydrophobicContact CB-SD 4.25Å; L288-M343 HydrophobicContact CD2-SD 3.49Å; L288-M343 WeakPolarHBondContact CD2-SD 3.5Å; L288-M343 HydrophobicContact CG-SD 3.81Å; A289-M343 HydrophobicContact CB-CE 3.89Å; L292-M343 HydrophobicContact CD1-CE 4.09Å; L292-M343 HydrophobicContact CD1-SD 4.35Å; Y340-M343 VanDerWaalsContact O-CB 3.27Å; Y340-M343 WeakPolarHBondContact O-CB 3.32Å; Y340-M343 PolarHBondContact O-N 2.85Å; D341-M343 VanDerWaalsContact C-N 3.32Å; M343-M346 PolarHBondContact O-N 3.11Å; M343-V347 HydrophobicContact CG-CG2 4.13Å; M343-V347 VanDerWaalsContact O-CG2 3.32Å; M343-V347 WeakPolarHBondContact O-CG2 3.48Å; M343-V347 PolarHBondContact O-N 3.37Å; M343-V347 HydrophobicContact SD-CG2 4.01Å
344T93.6Very high87.6Confident91 Ų9151.8 Ų51.856%0.55829%0.287SS*.Hα-helixtrans-56.7-49.6-173.6-41.60000113.2M346 V347 D348T344-M346 VanDerWaalsContact C-N 3.28Å; T344-M346 PolarHBondContact O-N 3.43Å; T344-V347 PolarHBondContact O-N 3.47Å; T344-D348 PolarHBondContact O-N 2.89Å
345P94.8Very high88.2Confident49 Ų4954.3 Ų54.332%0.31829%0.293SS..Hα-helixtrans-59.8-35.3176.6-24.135000113.7V331 D341 I349V331-P345 HydrophobicContact CG2-CB 4.13Å; D341-P345 VanDerWaalsContact O-CD 3.27Å; D341-P345 WeakPolarHBondContact O-CD 3.27Å; P345-I349 VanDerWaalsContact O-CD1 3.3Å; P345-I349 WeakPolarHBondContact O-CD1 3.48Å; P345-I349 WeakPolarHBondContact O-CG1 3.4Å; P345-I349 PolarHBondContact O-N 2.86Å; P345-I349 VanDerWaalsContact O-N 3.15Å
346M95.5Very high88.8Confident0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-74-37.2178-76-59.2-4500112.4L288 V305 I327 V331 V342 M343 T344 I349 L350 F373L288-M346 HydrophobicContact CD1-CB 4.24Å; L288-M346 HydrophobicContact CD2-CB 3.57Å; V305-M346 HydrophobicContact CB-CE 3.97Å; V305-M346 HydrophobicContact CG1-CE 4.03Å; V305-M346 HydrophobicContact CG2-CE 3.83Å; I327-M346 HydrophobicContact CD1-CE 4.44Å; I327-M346 HydrophobicContact CG2-SD 3.89Å; V331-M346 HydrophobicContact CG1-CG 4.05Å; V331-M346 HydrophobicContact CG1-SD 3.88Å; V342-M346 HydrophobicContact CG1-CG 3.72Å; V342-M346 WeakPolarHBondContact O-CB 3.32Å; V342-M346 VanDerWaalsContact O-CG 3.27Å; V342-M346 WeakPolarHBondContact O-CG 3.48Å; V342-M346 PolarHBondContact O-N 3.19Å; M343-M346 PolarHBondContact O-N 3.11Å; T344-M346 VanDerWaalsContact C-N 3.28Å; T344-M346 PolarHBondContact O-N 3.43Å; M346-I349 PolarHBondContact O-N 2.83Å; M346-I349 HydrophobicContact SD-CD1 4.32Å; M346-L350 WeakPolarHBondContact O-CB 3.4Å; M346-L350 WeakPolarHBondContact O-CD1 3.49Å; M346-L350 VanDerWaalsContact O-CG 3.3Å; M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.01Å; M346-F373 HydrophobicContact CE-CE1 3.66Å; M346-F373 HydrophobicContact CE-CZ 4.09Å
347V97Very high90.2Very high2 Ų257.8 Ų57.81%0.01230%0.303CS..Hα-helixtrans-64.6-45.1172.91770000110.5K281 E285 L288 M343 T344 I349 L350 M351K281-V347 HydrophobicContact CD-CG1 4.36Å; K281-V347 HydrophobicContact CG-CG1 3.96Å; E285-V347 HydrophobicContact CG-CB 4.48Å; E285-V347 HydrophobicContact CG-CG1 4.13Å; E285-V347 HydrophobicContact CG-CG2 3.47Å; E285-V347 VanDerWaalsContact CG-CG2 3.47Å; L288-V347 HydrophobicContact CD2-CG2 3.77Å; M343-V347 HydrophobicContact CG-CG2 4.13Å; M343-V347 VanDerWaalsContact O-CG2 3.32Å; M343-V347 WeakPolarHBondContact O-CG2 3.48Å; M343-V347 PolarHBondContact O-N 3.37Å; M343-V347 HydrophobicContact SD-CG2 4.01Å; T344-V347 PolarHBondContact O-N 3.47Å; V347-I349 VanDerWaalsContact C-N 3.31Å; V347-I349 PolarHBondContact O-N 3.19Å; V347-L350 CarbonylContact O-C 3.55Å; V347-L350 PolarHBondContact O-N 3.41Å; V347-L350 VanDerWaalsContact O-N 3.11Å; V347-M351 HydrophobicContact CG1-CG 4.06Å; V347-M351 WeakPolarHBondContact O-CB 3.35Å; V347-M351 WeakPolarHBondContact O-CG 3.48Å; V347-M351 PolarHBondContact O-N 3Å
348D97.1Very high91.3Very high102 Ų10253.2 Ų53.255%0.54527%0.274SS..Hα-helixtrans-60.4-40.7177.5-70.5-29.1000112.1T344 K352T344-D348 PolarHBondContact O-N 2.89Å; D348-K352 WeakPolarHBondContact O-CB 3.4Å; D348-K352 PolarHBondContact O-N 2.8Å
349I97.8Very high92.7Very high29 Ų2955.1 Ų55.115%0.14927%0.271CS..Hα-helixtrans-61.2-48.4172.7-71.7163.8000110.8V305 C325 P328 P345 M346 V347 K352 L353V305-I349 HydrophobicContact CG1-CG2 3.73Å; C325-I349 WeakPolarHBondContact SG-CG2 3.34Å; P328-I349 HydrophobicContact CG-CD1 3.95Å; P345-I349 VanDerWaalsContact O-CD1 3.3Å; P345-I349 WeakPolarHBondContact O-CD1 3.48Å; P345-I349 WeakPolarHBondContact O-CG1 3.4Å; P345-I349 PolarHBondContact O-N 2.86Å; P345-I349 VanDerWaalsContact O-N 3.15Å; M346-I349 PolarHBondContact O-N 2.83Å; M346-I349 HydrophobicContact SD-CD1 4.32Å; V347-I349 VanDerWaalsContact C-N 3.31Å; V347-I349 PolarHBondContact O-N 3.19Å; I349-K352 WeakPolarHBondContact O-CB 3.29Å; I349-K352 PolarHBondContact O-N 3.47Å; I349-L353 WeakPolarHBondContact O-CG 3.47Å; I349-L353 PolarHBondContact O-N 2.89Å
350L98.2Very high94Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-66.7-39.7-178.9-74.2165000112.2I284 L288 V305 L307 M346 V347 K352 L353 F354 V371I284-L350 HydrophobicContact CG2-CB 3.7Å; I284-L350 HydrophobicContact CG2-CD1 3.71Å; I284-L350 HydrophobicContact CG2-CG 4.31Å; L288-L350 HydrophobicContact CD1-CD1 4.46Å; L288-L350 HydrophobicContact CD2-CD1 4.21Å; V305-L350 HydrophobicContact CG2-CD2 3.71Å; V305-L350 HydrophobicContact CG2-CG 4.3Å; L307-L350 HydrophobicContact CB-CD2 3.97Å; L307-L350 HydrophobicContact CD1-CD2 4.31Å; L307-L350 WeakPolarHBondContact CD2-O 3.38Å; M346-L350 WeakPolarHBondContact O-CB 3.4Å; M346-L350 WeakPolarHBondContact O-CD1 3.49Å; M346-L350 VanDerWaalsContact O-CG 3.3Å; M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.01Å; V347-L350 CarbonylContact O-C 3.55Å; V347-L350 PolarHBondContact O-N 3.41Å; V347-L350 VanDerWaalsContact O-N 3.11Å; L350-K352 VanDerWaalsContact C-N 3.34Å; L350-K352 PolarHBondContact O-N 3.42Å; L350-L353 HydrophobicContact CD2-CD1 4.49Å; L350-L353 CarbonylContact O-C 3.56Å; L350-L353 WeakPolarHBondContact O-CB 3.48Å; L350-L353 PolarHBondContact O-N 3.21Å; L350-L353 VanDerWaalsContact O-N 3.15Å; L350-F354 PolarHBondContact O-N 2.98Å; L350-V371 HydrophobicContact CD1-CG1 3.88Å; L350-V371 HydrophobicContact CD1-CG2 4.1Å; L350-V371 HydrophobicContact CD2-CG1 4.13Å; L350-V371 HydrophobicContact CD2-CG2 4.35Å
351M98.3Very high95.1Very high19 Ų1956.2 Ų56.29%0.09428%0.28CS..Hα-helixtrans-68.3-31.9174.9-67.4-52.1-6400112.2E277 K281 I284 V347 F354 R355E277-M351 HydrophobicContact CG-CE 3.37Å; E277-M351 WeakPolarHBondContact OE1-CE 3.28Å; K281-M351 HydrophobicContact CB-CE 3.96Å; K281-M351 HydrophobicContact CB-CG 4.47Å; K281-M351 HydrophobicContact CB-SD 3.77Å; K281-M351 HydrophobicContact CG-CG 4.25Å; K281-M351 HydrophobicContact CG-SD 4.13Å; I284-M351 HydrophobicContact CD1-SD 3.69Å; V347-M351 HydrophobicContact CG1-CG 4.06Å; V347-M351 WeakPolarHBondContact O-CB 3.35Å; V347-M351 WeakPolarHBondContact O-CG 3.48Å; V347-M351 PolarHBondContact O-N 3Å; M351-F354 HydrophobicContact CE-CD1 4Å; M351-F354 HydrophobicContact CE-CG 4.36Å; M351-F354 WeakPolarHBondContact O-CB 3.44Å; M351-F354 PolarHBondContact O-N 2.57Å; M351-F354 HydrophobicContact SD-CB 4.49Å; M351-R355 WeakPolarHBondContact O-CG 3.11Å; M351-R355 PolarHBondContact O-N 2.77Å
352K98Very high95.7Very high146 Ų14657.6 Ų57.664%0.63529%0.285SS*.Hα-helixtrans-65.3-40.4168.6-172.4172.3-177.8173.10111.9D348 I349 L350 F354 N356D348-K352 WeakPolarHBondContact O-CB 3.4Å; D348-K352 PolarHBondContact O-N 2.8Å; I349-K352 WeakPolarHBondContact O-CB 3.29Å; I349-K352 PolarHBondContact O-N 3.47Å; L350-K352 VanDerWaalsContact C-N 3.34Å; L350-K352 PolarHBondContact O-N 3.42Å; K352-F354 VanDerWaalsContact C-N 3.34Å; K352-N356 PolarHBondContact O-N 3.37Å; K352-N356 PolarHBondContact O-ND2 3Å
353L98.2Very high95.9Very high11 Ų1163.5 Ų63.56%0.05832%0.324CS..Hα-helixtrans-65.9-35.5172.3-64.6178.5000112.2V305 L307 R323 C325 I349 L350 N356V305-L353 HydrophobicContact CG1-CD1 4.45Å; L307-L353 HydrophobicContact CB-CB 4.17Å; L307-L353 HydrophobicContact CB-CD1 4.39Å; L307-L353 HydrophobicContact CD2-CB 4.39Å; R323-L353 HydrophobicContact CB-CB 4.31Å; R323-L353 HydrophobicContact CB-CD2 3.95Å; C325-L353 HydrophobicContact CB-CD2 4.3Å; I349-L353 WeakPolarHBondContact O-CG 3.47Å; I349-L353 PolarHBondContact O-N 2.89Å; L350-L353 HydrophobicContact CD2-CD1 4.49Å; L350-L353 CarbonylContact O-C 3.56Å; L350-L353 WeakPolarHBondContact O-CB 3.48Å; L350-L353 PolarHBondContact O-N 3.21Å; L350-L353 VanDerWaalsContact O-N 3.15Å; L353-N356 PolarHBondContact O-N 3.25Å
354F98.1Very high96.1Very high0 Ų063.2 Ų63.20%032%0.321CS..Hα-helixtrans-63.2-51.8175.3-178.9-94.3000111.8E277 A280 L307 L350 M351 K352 N356 M357 V358 V360 F364 L366 L369E277-F354 HydrophobicContact CG-CE1 4.26Å; A280-F354 HydrophobicContact CB-CD2 4.25Å; A280-F354 HydrophobicContact CB-CE1 4.23Å; A280-F354 HydrophobicContact CB-CE2 3.51Å; A280-F354 HydrophobicContact CB-CZ 3.51Å; L307-F354 HydrophobicContact CD2-CB 3.69Å; L307-F354 HydrophobicContact CD2-CD2 4.23Å; L307-F354 HydrophobicContact CD2-CG 4.49Å; L350-F354 PolarHBondContact O-N 2.98Å; M351-F354 HydrophobicContact CE-CD1 4Å; M351-F354 HydrophobicContact CE-CG 4.36Å; M351-F354 WeakPolarHBondContact O-CB 3.44Å; M351-F354 PolarHBondContact O-N 2.57Å; M351-F354 HydrophobicContact SD-CB 4.49Å; K352-F354 VanDerWaalsContact C-N 3.34Å; F354-N356 PolarHBondContact O-N 2.92Å; F354-M357 CarbonylContact O-C 3.49Å; F354-M357 WeakPolarHBondContact O-CA 3.45Å; F354-M357 PolarHBondContact O-N 3.42Å; F354-V358 HydrophobicContact CD1-CB 4.32Å; F354-V358 HydrophobicContact CD2-CG2 4.31Å; F354-V358 HydrophobicContact CE1-CB 3.91Å; F354-V358 HydrophobicContact CE1-CG1 4.12Å; F354-V358 HydrophobicContact CE1-CG2 4.3Å; F354-V358 HydrophobicContact CE2-CB 4.43Å; F354-V358 HydrophobicContact CE2-CG2 3.92Å; F354-V358 HydrophobicContact CZ-CB 3.96Å; F354-V358 HydrophobicContact CZ-CG1 4.05Å; F354-V358 HydrophobicContact CZ-CG2 3.91Å; F354-V358 PolarHBondContact O-N 3.35Å; F354-V360 HydrophobicContact CD1-CG1 4.37Å; F354-V360 HydrophobicContact CE1-CG1 3.85Å; F354-F364 HydrophobicContact CE1-CZ 4.33Å; F354-F364 HydrophobicContact CZ-CE2 4.02Å; F354-F364 AromaticContact CZ-CZ 3.83Å; F354-F364 HydrophobicContact CZ-CZ 3.83Å; F354-L366 HydrophobicContact CE2-CD1 3.68Å; F354-L366 HydrophobicContact CZ-CD1 4.31Å; F354-L369 HydrophobicContact CD2-CD2 4.45Å; F354-L369 HydrophobicContact CE2-CD2 4.49Å
355R97.4Very high96.1Very high147 Ų14761.6 Ų61.656%0.55531%0.307SS*.Hα-helixtrans-61.1-26176.7-71.2178.8176.2-161-6.7113.3E277 M351 M357E277-R355 IonicContact OE1-CZ 3.61Å; E277-R355 VanDerWaalsContact OE1-CZ 3.27Å; E277-R355 IonicContact OE1-NE 3.66Å; E277-R355 PolarHBondContact OE1-NE 3.39Å; E277-R355 IonicContact OE1-NH2 2.76Å; E277-R355 PolarHBondContact OE1-NH2 2.73Å; E277-R355 IonicContact OE2-CZ 3.37Å; E277-R355 IonicContact OE2-NE 3.74Å; E277-R355 IonicContact OE2-NH2 3.75Å; E277-R355 PolarHBondContact OE2-NH2 3.37Å; M351-R355 WeakPolarHBondContact O-CG 3.11Å; M351-R355 PolarHBondContact O-N 2.77Å; R355-M357 PolarHBondContact O-N 2.76Å
356N96.7Very high96.2Very high98 Ų9859.3 Ų59.352%0.52429%0.292SS..THydrogen-bonded Turntrans-77.90.1172.4-68.2-16.6000114.3K352 L353 F354K352-N356 PolarHBondContact O-N 3.37Å; K352-N356 PolarHBondContact O-ND2 3Å; L353-N356 PolarHBondContact O-N 3.25Å; F354-N356 PolarHBondContact O-N 2.92Å
357M96.4Very high96.2Very high17 Ų1760.1 Ų60.18%0.08430%0.298CS..THydrogen-bonded Turntrans-122.5-36.2172.6-63.8-174.5-74.800112.3L307 I309 R311 E321 R323 F354 R355L307-M357 HydrophobicContact CB-CE 4.11Å; L307-M357 HydrophobicContact CD2-CE 3.71Å; L307-M357 HydrophobicContact CG-CE 3.86Å; I309-M357 HydrophobicContact CD1-CB 3.76Å; I309-M357 HydrophobicContact CD1-CE 4.44Å; I309-M357 HydrophobicContact CD1-SD 4.12Å; I309-M357 HydrophobicContact CG1-CE 4.4Å; I309-M357 HydrophobicContact CG1-SD 4.07Å; I309-M357 HydrophobicContact CG2-CE 3.94Å; R311-M357 PolarHBondContact NH2-O 3.47Å; E321-M357 HydrophobicContact CB-SD 4.3Å; R323-M357 HydrophobicContact CB-CE 4.49Å; R323-M357 HydrophobicContact CB-CG 4.39Å; R323-M357 HydrophobicContact CB-SD 4.25Å; R323-M357 HydrophobicContact CG-CE 4.43Å; R323-M357 HydrophobicContact CG-CG 3.4Å; R323-M357 HydrophobicContact CG-SD 3.71Å; F354-M357 CarbonylContact O-C 3.49Å; F354-M357 WeakPolarHBondContact O-CA 3.45Å; F354-M357 PolarHBondContact O-N 3.42Å; R355-M357 PolarHBondContact O-N 2.76Å
358V95.9Very high96.1Very high2 Ų260 Ų601%0.01230%0.297CS..  trans-114.4115.5-173.4-176.30000109.8I309 F354 V360 F364 L366I309-V358 HydrophobicContact CD1-CG2 3.79Å; F354-V358 HydrophobicContact CD1-CB 4.32Å; F354-V358 HydrophobicContact CD2-CG2 4.31Å; F354-V358 HydrophobicContact CE1-CB 3.91Å; F354-V358 HydrophobicContact CE1-CG1 4.12Å; F354-V358 HydrophobicContact CE1-CG2 4.3Å; F354-V358 HydrophobicContact CE2-CB 4.43Å; F354-V358 HydrophobicContact CE2-CG2 3.92Å; F354-V358 HydrophobicContact CZ-CB 3.96Å; F354-V358 HydrophobicContact CZ-CG1 4.05Å; F354-V358 HydrophobicContact CZ-CG2 3.91Å; F354-V358 PolarHBondContact O-N 3.35Å; V358-V360 HydrophobicContact CG1-CG1 4.44Å; V358-V360 PolarHBondContact O-N 3.46Å; V358-F364 HydrophobicContact CG1-CB 4Å; V358-F364 HydrophobicContact CG1-CD1 3.41Å; V358-F364 VanDerWaalsContact CG1-CD1 3.41Å; V358-F364 HydrophobicContact CG1-CD2 3.96Å; V358-F364 HydrophobicContact CG1-CE1 3.74Å; V358-F364 HydrophobicContact CG1-CE2 4.26Å; V358-F364 HydrophobicContact CG1-CG 3.52Å; V358-F364 HydrophobicContact CG1-CZ 4.15Å; V358-L366 HydrophobicContact CG2-CD1 4.49Å
359N94.5Very high96.1Very high97 Ų9755.2 Ų55.252%0.51927%0.271SS..  trans-73.292.3169.9-179.43.6000109.5K361 M362N359-K361 PolarHBondContact O-N 3.05Å; N359-K361 WeakPolarHBondContact OD1-CB 3.39Å; N359-K361 PolarHBondContact OD1-N 2.85Å; N359-M362 WeakPolarHBondContact ND2-CG 3.25Å; N359-M362 PolarHBondContact O-N 2.64Å
360V94.2Very high96.1Very high56 Ų5653.9 Ų53.934%0.33927%0.265SS..THydrogen-bonded Turntrans-63.3-7.9-177.5-61.20000115E277 F354 V358 M362 F364E277-V360 HydrophobicContact CB-CG1 4.26Å; E277-V360 HydrophobicContact CG-CG1 4.3Å; F354-V360 HydrophobicContact CD1-CG1 4.37Å; F354-V360 HydrophobicContact CE1-CG1 3.85Å; V358-V360 HydrophobicContact CG1-CG1 4.44Å; V358-V360 PolarHBondContact O-N 3.46Å; V360-M362 VanDerWaalsContact C-N 3.34Å; V360-F364 HydrophobicContact CG1-CE1 4.44Å
361K93.2Very high96.1Very high190 Ų19053.9 Ų53.983%0.82627%0.265SS*.THydrogen-bonded Turntrans-79.7-17.1170.8-61.4-173.5176.5-173.90113.2N359N359-K361 PolarHBondContact O-N 3.05Å; N359-K361 WeakPolarHBondContact OD1-CB 3.39Å; N359-K361 PolarHBondContact OD1-N 2.85Å
362M94.2Very high96.1Very high117 Ų11753.5 Ų53.558%0.57626%0.264SS*.SBendtrans-107.3149.5178.7-60.9-60-69.100110N359 V360 F364N359-M362 WeakPolarHBondContact ND2-CG 3.25Å; N359-M362 PolarHBondContact O-N 2.64Å; V360-M362 VanDerWaalsContact C-N 3.34Å; M362-F364 PolarHBondContact O-N 2.79Å
363P94Very high96.1Very high127 Ų12746.6 Ų46.683%0.82523%0.233SC*.  trans-55.4135.6169.6-24.234.4000111.2
364F94.7Very high95.9Very high28 Ų2847 Ų4712%0.12324%0.237CC..  trans-136.9158.5175.767.4-96.6000111.3S275 F354 V358 V360 M362 L366S275-F364 WeakPolarHBondContact CA-O 3.4Å; S275-F364 WeakPolarHBondContact CB-O 3.44Å; F354-F364 HydrophobicContact CE1-CZ 4.33Å; F354-F364 HydrophobicContact CZ-CE2 4.02Å; F354-F364 AromaticContact CZ-CZ 3.83Å; F354-F364 HydrophobicContact CZ-CZ 3.83Å; V358-F364 HydrophobicContact CG1-CB 4Å; V358-F364 HydrophobicContact CG1-CD1 3.41Å; V358-F364 VanDerWaalsContact CG1-CD1 3.41Å; V358-F364 HydrophobicContact CG1-CD2 3.96Å; V358-F364 HydrophobicContact CG1-CE1 3.74Å; V358-F364 HydrophobicContact CG1-CE2 4.26Å; V358-F364 HydrophobicContact CG1-CG 3.52Å; V358-F364 HydrophobicContact CG1-CZ 4.15Å; V360-F364 HydrophobicContact CG1-CE1 4.44Å; M362-F364 PolarHBondContact O-N 2.79Å; F364-L366 HydrophobicContact CD2-CG 4.01Å; F364-L366 HydrophobicContact CE2-CD1 4.45Å; F364-L366 HydrophobicContact CE2-CG 4.25Å
365H94.9Very high95.7Very high57 Ų5751.4 Ų51.426%0.26426%0.261SS..  trans-138108177.9-175.3167.1000107.9K272 R311 Y312K272-H365 PolarHBondContact O-NE2 2.77Å; R311-H365 CarbonylContact C-O 3.52Å; R311-H365 WeakPolarHBondContact CA-O 3.33Å; Y312-H365 VanDerWaalsContact CB-CG 3.49Å; Y312-H365 AromaticContact CD2-CE1 3.81Å; Y312-H365 AromaticContact CG-CE1 3.66Å; Y312-H365 AromaticContact CG-ND1 3.76Å; Y312-H365 PolarHBondContact N-O 2.97Å
366L95.4Very high95.5Very high0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-96.3154.5170.5-57.9-173000111.1F271 K273 C274 I309 R310 R311 F354 V358 F364 L369F271-L366 VanDerWaalsContact CE2-C 3.47Å; F271-L366 HydrophobicContact CE2-CB 3.92Å; F271-L366 VanDerWaalsContact CE2-O 3.28Å; F271-L366 WeakPolarHBondContact CE2-O 3.07Å; F271-L366 HydrophobicContact CZ-CB 4.31Å; K273-L366 CarbonylContact C-O 3.59Å; K273-L366 WeakPolarHBondContact CA-O 3.45Å; C274-L366 HydrophobicContact CB-CB 4.33Å; C274-L366 PolarHBondContact N-O 3Å; C274-L366 PolarHBondContact O-N 2.98Å; I309-L366 HydrophobicContact CB-CD1 4.27Å; I309-L366 HydrophobicContact CB-CD2 4.32Å; I309-L366 HydrophobicContact CD1-CD2 4.12Å; I309-L366 HydrophobicContact CG2-CD1 4.06Å; R310-L366 CarbonylContact O-C 3.55Å; R310-L366 WeakPolarHBondContact O-CA 3.34Å; R311-L366 HydrophobicContact CG-CD2 3.96Å; F354-L366 HydrophobicContact CE2-CD1 3.68Å; F354-L366 HydrophobicContact CZ-CD1 4.31Å; V358-L366 HydrophobicContact CG2-CD1 4.49Å; F364-L366 HydrophobicContact CD2-CG 4.01Å; F364-L366 HydrophobicContact CE2-CD1 4.45Å; F364-L366 HydrophobicContact CE2-CG 4.25Å; L366-L369 HydrophobicContact CD1-CD2 4.46Å
367T95.1Very high95.2Very high18 Ų1846.5 Ų46.511%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-128.5-0.7176.361.60000113.2F271 R310 R311 Y312F271-T367 PolarHBondContact N-O 2.88Å; F271-T367 VanDerWaalsContact O-CA 3.31Å; F271-T367 WeakPolarHBondContact O-CA 3.42Å; R310-T367 WeakPolarHBondContact CG-OG1 3.08Å; R310-T367 PolarHBondContact NE-OG1 3.29Å; R310-T367 PolarHBondContact NH2-O 3.34Å; R310-T367 PolarHBondContact O-N 3.44Å; R310-T367 PolarHBondContact O-OG1 3.29Å; R311-T367 PolarHBondContact O-OG1 3.02Å; Y312-T367 HydrophobicContact CD2-CG2 4.17Å
368L96.1Very high94.5Very high0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-155.1139.8173.1-172.9149.1000110.2E268 D269 F271 I309 R310E268-L368 HydrophobicContact CB-CD2 4.48Å; D269-L368 VanDerWaalsContact O-CA 3.29Å; D269-L368 WeakPolarHBondContact O-CA 3.15Å; F271-L368 VanDerWaalsContact CZ-C 3.47Å; I309-L368 WeakPolarHBondContact CA-O 3.03Å; R310-L368 HydrophobicContact CB-CB 3.56Å; R310-L368 PolarHBondContact N-O 3Å; R310-L368 VanDerWaalsContact N-O 3.15Å
369L97.5Very high93.3Very high0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-122.9140160.6-83.5158.1000108.5E268 D269 F271 A280 K283 I284 L287 L307 I309 F354 L366E268-L369 WeakPolarHBondContact CA-O 3.45Å; D269-L369 PolarHBondContact N-O 3.35Å; D269-L369 PolarHBondContact O-N 3.4Å; F271-L369 HydrophobicContact CE1-CB 4Å; F271-L369 HydrophobicContact CE1-CD1 4.13Å; F271-L369 HydrophobicContact CE1-CG 4.21Å; F271-L369 HydrophobicContact CZ-CB 4.14Å; F271-L369 HydrophobicContact CZ-CD1 3.88Å; F271-L369 HydrophobicContact CZ-CG 3.89Å; A280-L369 HydrophobicContact CB-CD1 4.17Å; K283-L369 HydrophobicContact CB-CD1 3.83Å; K283-L369 HydrophobicContact CD-CD1 4.43Å; I284-L369 HydrophobicContact CD1-CD2 4.33Å; I284-L369 HydrophobicContact CG1-CD2 4.38Å; L287-L369 HydrophobicContact CD1-CB 4.24Å; L307-L369 HydrophobicContact CD1-CD2 4.12Å; I309-L369 HydrophobicContact CG2-CD2 3.87Å; F354-L369 HydrophobicContact CD2-CD2 4.45Å; F354-L369 HydrophobicContact CE2-CD2 4.49Å; L366-L369 HydrophobicContact CD1-CD2 4.46Å
370S97.8Very high91.4Very high2 Ų256.1 Ų56.11%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-146131.5172.9175.10000111.3E267 I308E267-S370 WeakPolarHBondContact O-CA 3.47Å; E267-S370 VanDerWaalsContact O-CB 3.26Å; E267-S370 WeakPolarHBondContact O-CB 3.24Å; E267-S370 PolarHBondContact O-OG 3.04Å; I308-S370 PolarHBondContact N-O 2.9Å; I308-S370 PolarHBondContact O-N 3.27Å
371V98.1Very high88.8Confident0 Ų059.2 Ų59.20%032%0.32CS..EExtended strand (participates in β ladder)trans-102.5139.5173.1179.90000107.7S266 E267 I284 L287 L291 V305 L307 L350S266-V371 VanDerWaalsContact CA-O 3.3Å; S266-V371 WeakPolarHBondContact CA-O 3.26Å; E267-V371 PolarHBondContact N-O 3.46Å; E267-V371 VanDerWaalsContact N-O 3.12Å; E267-V371 PolarHBondContact O-N 3Å; I284-V371 HydrophobicContact CG1-CG2 4.48Å; L287-V371 HydrophobicContact CB-CB 4.36Å; L287-V371 HydrophobicContact CB-CG2 4.07Å; L287-V371 HydrophobicContact CD1-CG2 4.28Å; L291-V371 HydrophobicContact CD1-CB 3.7Å; L291-V371 HydrophobicContact CD1-CG1 3.69Å; L291-V371 WeakPolarHBondContact CD1-O 3.4Å; V305-V371 HydrophobicContact CG2-CG1 4.34Å; L307-V371 HydrophobicContact CD1-CG2 4.12Å; L350-V371 HydrophobicContact CD1-CG1 3.88Å; L350-V371 HydrophobicContact CD1-CG2 4.1Å; L350-V371 HydrophobicContact CD2-CG1 4.13Å; L350-V371 HydrophobicContact CD2-CG2 4.35Å
372C98Very high86.3Confident11 Ų1153.9 Ų53.97%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-141.3124.5-178.8-177.40000111.6F265 V305 R306F265-C372 CarbonylContact O-C 3.48Å; F265-C372 WeakPolarHBondContact O-CA 3.42Å; V305-C372 CarbonylContact C-O 3.59Å; V305-C372 WeakPolarHBondContact CA-O 3.43Å; R306-C372 HydrophobicContact CB-CB 4.28Å; R306-C372 PolarHBondContact N-O 3.29Å; R306-C372 PolarHBondContact O-N 2.78Å
373F96.9Very high83.9Confident0 Ų058.5 Ų58.50%033%0.328CS..EExtended strand (participates in β ladder)trans-91.7124.6169.4-75.4-51.1000110.2S264 F265 L288 L291 L292 V295 P302 V305 I327 M346S264-F373 CarbonylContact C-O 3.51Å; S264-F373 WeakPolarHBondContact CA-O 3.43Å; S264-F373 WeakPolarHBondContact CB-O 3.5Å; F265-F373 PolarHBondContact N-O 2.86Å; F265-F373 PolarHBondContact O-N 2.86Å; L288-F373 HydrophobicContact CD1-CE2 4.14Å; L288-F373 HydrophobicContact CD1-CZ 3.72Å; L291-F373 HydrophobicContact CB-CD2 3.98Å; L291-F373 HydrophobicContact CB-CE2 3.81Å; L292-F373 HydrophobicContact CD2-CE2 4.38Å; L292-F373 HydrophobicContact CD2-CZ 4.21Å; V295-F373 HydrophobicContact CG2-CD2 3.67Å; V295-F373 HydrophobicContact CG2-CE2 4.08Å; V295-F373 HydrophobicContact CG2-CG 4.36Å; P302-F373 HydrophobicContact CB-CB 3.75Å; P302-F373 HydrophobicContact CB-CD1 3.97Å; P302-F373 HydrophobicContact CB-CG 4.06Å; P302-F373 HydrophobicContact CG-CB 4.06Å; P302-F373 HydrophobicContact CG-CD1 3.74Å; P302-F373 HydrophobicContact CG-CD2 4.47Å; P302-F373 HydrophobicContact CG-CE1 4.26Å; P302-F373 HydrophobicContact CG-CG 3.86Å; V305-F373 HydrophobicContact CB-CD1 4.27Å; V305-F373 HydrophobicContact CB-CE1 4.29Å; V305-F373 HydrophobicContact CG2-CD1 4.18Å; V305-F373 HydrophobicContact CG2-CE1 4.06Å; I327-F373 HydrophobicContact CD1-CD1 3.85Å; I327-F373 HydrophobicContact CD1-CE1 3.77Å; M346-F373 HydrophobicContact CE-CE1 3.66Å; M346-F373 HydrophobicContact CE-CZ 4.09Å
374C95Very high81.4Confident21 Ų2159.6 Ų59.614%0.14232%0.32CS..EExtended strand (participates in β ladder)trans-124170.7179.7-65.40000111H303 T304 L376H303-C374 PolarHBondContact N-O 3.29Å; T304-C374 PolarHBondContact N-O 3.17Å; T304-C374 PolarHBondContact O-N 2.8Å; C374-L376 VanDerWaalsContact C-N 3.34Å; C374-L376 PolarHBondContact O-N 3.28Å
375N93.4Very high78.9Confident92 Ų9260.4 Ų60.449%0.49234%0.336SS..EExtended strand (participates in β ladder)trans57.549.4176-57.3-26.4000111.1H303 T304 K377H303-N375 HydrophobicContact CB-CB 4.14Å; H303-N375 WeakPolarHBondContact CB-O 3.27Å; H303-N375 PolarHBondContact N-O 2.9Å; H303-N375 PolarHBondContact ND1-O 2.9Å; T304-N375 PolarHBondContact OG1-ND2 3.38Å; N375-K377 PolarHBondContact O-N 3.18Å
376L92.9Very high76.6Confident24 Ų2465.1 Ų65.113%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-64.1124.1172.2-70.4159000109.2P262 F265 R300 P302 C374P262-L376 VanDerWaalsContact O-CD1 3.31Å; P262-L376 WeakPolarHBondContact O-CD1 3.48Å; F265-L376 HydrophobicContact CD2-CD1 3.77Å; F265-L376 HydrophobicContact CD2-CD2 4.01Å; F265-L376 HydrophobicContact CE2-CD1 3.64Å; F265-L376 HydrophobicContact CE2-CD2 3.88Å; F265-L376 HydrophobicContact CE2-CG 4.44Å; F265-L376 HydrophobicContact CG-CD1 4.3Å; F265-L376 HydrophobicContact CZ-CD1 4.08Å; R300-L376 HydrophobicContact CB-CB 4.3Å; R300-L376 HydrophobicContact CB-CD2 4.4Å; P302-L376 HydrophobicContact CB-CD2 3.86Å; P302-L376 HydrophobicContact CB-CG 4.46Å; P302-L376 HydrophobicContact CG-CD2 4.34Å; C374-L376 VanDerWaalsContact C-N 3.34Å; C374-L376 PolarHBondContact O-N 3.28Å
377K90.4Very high74.3Confident117 Ų11771 Ų7151%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-118.6143.7172.9-56.3-172.5-167.7175.90109.6R300 K301 N375R300-K377 CarbonylContact C-O 3.56Å; R300-K377 WeakPolarHBondContact CA-O 3.31Å; R300-K377 WeakPolarHBondContact CB-O 3.11Å; K301-K377 PolarHBondContact N-O 2.99Å; K301-K377 PolarHBondContact O-N 3.11Å; N375-K377 PolarHBondContact O-N 3.18Å
378A83.1Confident71.6Confident68 Ų6873 Ų7356%0.56240%0.402SS*.  trans-55152.9168.300000110.8N380A378-N380 PolarHBondContact O-N 3.31Å
379L69.6Low69Low108 Ų10883 Ų8357%0.56544%0.441SS*.  trans-65.7126.3165.1-174.968.2000107.9K301 T381K301-L379 HydrophobicContact CD-CD1 4.28Å; L379-T381 VanDerWaalsContact C-N 3.29Å; L379-T381 PolarHBondContact O-N 3.23Å
380N54.1Low66.4Low143 Ų14392 Ų9277%0.76548%0.477SS*.  trans-68.289.8172.4-7312.1000109.1A378 A382A378-N380 PolarHBondContact O-N 3.31Å; N380-A382 PolarHBondContact O-N 3.48Å; N380-A382 VanDerWaalsContact O-N 3.15Å
381T41.1Very low63.5Low121 Ų12197.7 Ų97.774%0.74251%0.507SS*.  trans-63.9110.9169.846.90000108.8L379L379-T381 VanDerWaalsContact C-N 3.29Å; L379-T381 PolarHBondContact O-N 3.23Å
382A40.2Very low60.5Low78 Ų78104.3 Ų104.365%0.64554%0.539SS*.SBendtrans64146.3-165.600000115.6N380 K384N380-A382 PolarHBondContact O-N 3.48Å; N380-A382 VanDerWaalsContact O-N 3.15Å; A382-K384 VanDerWaalsContact C-N 3.32Å; A382-K384 PolarHBondContact O-N 3.48Å; A382-K384 VanDerWaalsContact O-N 3.1Å
383K43.6Very low57.4Low213 Ų213109.3 Ų109.393%0.92657%0.572SS**  trans-70.992.6153.1-70.3179.2-179.8177.20107.2G385K383-G385 PolarHBondContact O-N 3.04Å
384K41.8Very low54.3Low150 Ų150113.9 Ų113.965%0.65260%0.604SS**  trans-53.9126.5153.4-83.5-174.9166.4-101.20107A382 D388A382-K384 VanDerWaalsContact C-N 3.32Å; A382-K384 PolarHBondContact O-N 3.48Å; A382-K384 VanDerWaalsContact O-N 3.1Å; K384-D388 HydrophobicContact CB-CB 4Å; K384-D388 WeakPolarHBondContact CD-OD2 3.35Å; K384-D388 VanDerWaalsContact CE-OD2 3.3Å; K384-D388 WeakPolarHBondContact CE-OD2 3.31Å; K384-D388 HydrophobicContact CG-CB 4.39Å; K384-D388 WeakPolarHBondContact CG-OD2 3.27Å; K384-D388 IonicContact NZ-OD2 2.75Å; K384-D388 PolarHBondContact NZ-OD2 2.87Å
385G42.4Very low51.3Low45 Ų45121.6 Ų121.646%0.46464%0.642SS.*  trans-64.3162.8-178.300000111.3K383 I387 D388K383-G385 PolarHBondContact O-N 3.04Å; G385-I387 PolarHBondContact O-N 3.5Å; G385-I387 VanDerWaalsContact O-N 3.11Å; G385-D388 VanDerWaalsContact O-CB 3.3Å; G385-D388 WeakPolarHBondContact O-CB 3.32Å; G385-D388 PolarHBondContact O-N 2.81Å
386L46.6Very low48.3Very low156 Ų156121 Ų12182%0.81765%0.645SS**G310 helixtrans-56.5-31.9-179.8-148.678.4000112.4D388 Y390L386-D388 VanDerWaalsContact C-N 3.31Å; L386-D388 PolarHBondContact O-N 3.02Å; L386-Y390 WeakPolarHBondContact O-CD2 3.46Å
387I46.3Very low45.5Very low125 Ų125126.7 Ų126.764%0.64168%0.681SS**G310 helixtrans-61.8-34.5176-62165.9000112.2G385 Y389 Y390 L391G385-I387 PolarHBondContact O-N 3.5Å; G385-I387 VanDerWaalsContact O-N 3.11Å; I387-Y389 PolarHBondContact O-N 2.73Å; I387-Y389 VanDerWaalsContact O-N 3.15Å; I387-Y390 PolarHBondContact O-N 2.86Å; I387-L391 HydrophobicContact CG2-CD1 3.65Å; I387-L391 HydrophobicContact CG2-CG 4.09Å; I387-L391 PolarHBondContact O-N 3.44Å
388D39.1Very low42.6Very low59 Ų59127.1 Ų127.132%0.31669%0.694SS.*G310 helixtrans-72.8-12-171.3-139.551.8000113K384 G385 L386K384-D388 HydrophobicContact CB-CB 4Å; K384-D388 WeakPolarHBondContact CD-OD2 3.35Å; K384-D388 VanDerWaalsContact CE-OD2 3.3Å; K384-D388 WeakPolarHBondContact CE-OD2 3.31Å; K384-D388 HydrophobicContact CG-CB 4.39Å; K384-D388 WeakPolarHBondContact CG-OD2 3.27Å; K384-D388 IonicContact NZ-OD2 2.75Å; K384-D388 PolarHBondContact NZ-OD2 2.87Å; G385-D388 VanDerWaalsContact O-CB 3.3Å; G385-D388 WeakPolarHBondContact O-CB 3.32Å; G385-D388 PolarHBondContact O-N 2.81Å; L386-D388 VanDerWaalsContact C-N 3.31Å; L386-D388 PolarHBondContact O-N 3.02Å
389Y40.9Very low40.1Very low209 Ų209129.7 Ų129.782%0.8271%0.708SS**G310 helixtrans-80.2-21.4170.8-155.4-88.8000112.5I387I387-Y389 PolarHBondContact O-N 2.73Å; I387-Y389 VanDerWaalsContact O-N 3.15Å
390Y42.3Very low38.2Very low190 Ų190136.3 Ų136.375%0.74573%0.725SS**THydrogen-bonded Turntrans-94.6-17.9176.5-66.2-88.4000112.9L386 I387L386-Y390 WeakPolarHBondContact O-CD2 3.46Å; I387-Y390 PolarHBondContact O-N 2.86Å
391L38.2Very low37.1Very low122 Ų122135.5 Ų135.564%0.63973%0.731SS**SBendtrans-100.68.9-176.9-64.6-177.1000114.9I387 P393I387-L391 HydrophobicContact CG2-CD1 3.65Å; I387-L391 HydrophobicContact CG2-CG 4.09Å; I387-L391 PolarHBondContact O-N 3.44Å; L391-P393 WeakPolarHBondContact O-CD 3.5Å
392M34Very low36.5Very low139 Ų139133.1 Ų133.169%0.68573%0.73SS**SBendtrans-75.6120.7166.4-85-170.760.100110.2S394M392-S394 PolarHBondContact O-N 2.84Å
393P34.4Very low35.9Very low116 Ų116139.4 Ų139.475%0.75374%0.743SS**PPolyproline II helixtrans-60.1125.7165.6-1831.8000108.5L391 L395L391-P393 WeakPolarHBondContact O-CD 3.5Å; P393-L395 PolarHBondContact O-N 2.92Å
394S30.5Very low35.1Very low96 Ų96137.6 Ų137.667%0.67174%0.737SS**PPolyproline II helixtrans-63.6129.1171.357.80000108.5M392 S396M392-S394 PolarHBondContact O-N 2.84Å; S394-S396 PolarHBondContact O-N 3.18Å; S394-S396 PolarHBondContact O-OG 3.15Å
395L32.4Very low34.2Very low183 Ų183135.9 Ų135.996%0.95875%0.745SS**  trans-72.167.4171.6-93.3164.4000109.5P393P393-L395 PolarHBondContact O-N 2.92Å
396S30.8Very low33.3Very low78 Ų78142.3 Ų142.355%0.54576%0.76SS.*  trans-76.4120.7175.244.30000108.7S394 T398S394-S396 PolarHBondContact O-N 3.18Å; S394-S396 PolarHBondContact O-OG 3.15Å; S396-T398 PolarHBondContact O-N 2.87Å
397T34.8Very low32.3Very low145 Ų145144.7 Ų144.789%0.8976%0.764SS**  trans-64.2103.2-178.248.40000110.6
398T27.5Very low31.3Very low126 Ų126145.8 Ų145.877%0.77377%0.768SS**  trans-124.6121.3170.548.20000110.3S396S396-T398 PolarHBondContact O-N 2.87Å
399S32.4Very low30.7Very low122 Ų122149.7 Ų149.785%0.85378%0.782SS**  trans-69.2133.6173.752.60000110.6
400R28Very low29.9Very low247 Ų247145.3 Ų145.393%0.93277%0.773SS**  trans-137126.1162.8-117.3178.1179.4-178.4-0.2111.5
401S33Very low29.1Very low125 Ų125140.8 Ų140.887%0.87477%0.765SS**  trans-74.1142.1166.149.30000109.7
402G26.9Very low28.5Very low71 Ų71142.7 Ų142.773%0.73277%0.77SS**  trans-139.2111.5174.800000109.8
403K27.9Very low28.2Very low211 Ų211142.9 Ų142.992%0.91777%0.771SS**  trans-76121.4168.4-71-178.9177.6179.40108.1
404H26.2Very low27.8Very low174 Ų174144.9 Ų144.981%0.80677%0.771SS**  trans-71.9135.9166-93.1-90000110.5
405S23.6Very low27.6Very low115 Ų115147.9 Ų147.980%0.80478%0.779SS**  trans-113.8124.3149.350.80000107.8
406F24.3Very low27.1Very low179 Ų179148.6 Ų148.679%0.78578%0.775SS**  trans-77.8145.8177.8-97.7-104000110.9
407K24.7Very low27.7Very low207 Ų207149.6 Ų149.690%0.978%0.779SS**  trans-146.6121.7133.7-123.2176.3-176-177.90113.4
408M24.8Very low27.4Very low148 Ų148151.5 Ų151.573%0.72978%0.775SS**  trans-50.2164.3155.2-90.8-175.2157.100112.1
409K26.1Very low27.3Very low140 Ų140151.3 Ų151.361%0.60977%0.77SS**  cis-167.2172.220.4-134.4170.3156.9-730111.8
410D25.1Very low27.3Very low118 Ų118152.9 Ų152.963%0.63176%0.761SS**  trans66.6146.7141.7-70.7-12.7000121.3
411T25.9Very low27.2Very low94 Ų94147.2 Ų147.258%0.57775%0.745SS**  cis-160.7166.7-24.4-49.90000108.8
412H26Very low27Very low163 Ų163147 Ų14776%0.75574%0.739SS**  trans73123.3170.8-56.4-74.1000115.1
413M26Very low26.9Very low143 Ų143149.6 Ų149.670%0.70474%0.736SS**  75.1111.553.3-79.4-157.873.400114.6
414E26.8Very low26.9Very low158 Ų158149.2 Ų149.274%0.73873%0.729SS**  trans48.1126.5146.6-60.4177.5-152.300117.5
415D25.8Very low26.8Very low159 Ų159145.9 Ų145.985%0.8572%0.717SS**  -139.2163.158.6-92.7-45.7000116.8
416F23.6Very low26.9Very low198 Ų198149.4 Ų149.487%0.86872%0.718SS**  trans-110169.9160.2-93.1-70.7000108.8
417P43Very low27.2Very low98 Ų98148.6 Ų148.664%0.63672%0.721SS**  cis-128.8-155.2-16.629.2-5.9000110.4
418K28.2Very low27.8Very low185 Ų185144.5 Ų144.580%0.80472%0.716SS**  trans73.5148.5159.3-72.6-177.2-180178.60117
419D26Very low27.8Very low123 Ų123143.4 Ų143.466%0.65872%0.723SS**  cis-162.7158.5-27.9-135.4-31.7000106.7
420K31.2Very low27.8Very low155 Ų155140 Ų14067%0.67473%0.728SS**  trans62.7162.1159.7-71.7-179.6165.1-72.40117.8
421E26.9Very low27.8Very low127 Ų127145.9 Ų145.959%0.59374%0.741SS**  cis-173.7115.4-27.3177.9165.9-116.400107.7
422T28.6Very low28Very low122 Ų122147.8 Ų147.875%0.74875%0.746SS**  trans64.4165.8163.374.50000115.7
423N25.2Very low28Very low124 Ų124148.5 Ų148.566%0.66375%0.75SS**  cis-158.2160.1-10.4-133.6-31.2000110
424R26.9Very low28Very low203 Ų203146.3 Ų146.377%0.76675%0.749SS**  trans63.6162.8152.6-64.9-168.2170.7156.3-0.5118.5
425D25Very low27.9Very low105 Ų105144.5 Ų144.556%0.56175%0.749SS**  cis-162.5179.6-30.3-96.4-19.8000107.1
426F25.7Very low27.9Very low188 Ų188147.9 Ų147.983%0.82575%0.749SS**  trans71.993.6157.9-63.7-64.9000119
427L29.9Very low28Very low163 Ų163143.8 Ų143.885%0.85374%0.741SS**  trans-37.5156.6135.3-60.1164.2000112.5
428P36.1Very low27Very low121 Ų121148.6 Ų148.679%0.78675%0.746SS**  -143.4131.2108.234.8-20.8000116.7
429S26.3Very low26.9Very low125 Ų125146.9 Ų146.987%0.87474%0.741SS**  54.1145.7124.7-1500000123.5
430G25.3Very low26.9Very low69 Ų69145.9 Ų145.971%0.71174%0.743SS**  trans103102.6168.400000113.8
431R26.4Very low27.3Very low240 Ų240144 Ų14491%0.90675%0.747SS**  cis90.515027.5-152.5-169.2-151.3-147.27.4113.7
432I29.4Very low27.4Very low135 Ų135144.8 Ų144.869%0.69276%0.755SS**  trans87.496.8175.1-57.5174.4000111.5
433E25.3Very low27.3Very low177 Ų177145.4 Ų145.483%0.82775%0.753SS**  86.915285.3-88.3175.7-155.600113.1
434S25.6Very low27.4Very low98 Ų98144.6 Ų144.669%0.68575%0.753SS**  cis-162.4-160.1-4.8-175.30000109.1
435T24.9Very low27.5Very low120 Ų120140.2 Ų140.274%0.73675%0.749SS**  trans77.8121.1170.267.70000117.6
436R26.9Very low27.6Very low230 Ų230141.2 Ų141.287%0.86875%0.754SS**  83.2136.561.1-95.7-172.2-171.4176.13.1112.7
437T24.3Very low27.7Very low112 Ų112141 Ų14169%0.68775%0.753SS**  cis-164.2173.9-0.1-20.70000110.5
438R23.4Very low27.7Very low199 Ų199136.9 Ų136.975%0.75174%0.738SS**  trans73152162-65.5167.688.7146.311.9115.5
439E25.1Very low27.5Very low149 Ų149139.3 Ų139.370%0.69674%0.737SS**  cis-150.4168.7-0.7-134148.6179.300112.2
440S25.9Very low27.6Very low101 Ų101139.1 Ų139.171%0.70672%0.722SS**  trans-114.8160.7173600000111.7
441P40.9Very low27.7Very low117 Ų117143.1 Ų143.176%0.7672%0.719SS**  -148.4-177.2102.236.8-18.8000113.4
442L28.7Very low27.7Very low143 Ų143137.1 Ų137.175%0.74971%0.705SS**  cis-166-172.8-35.4-98.7173000107.8
443D26.7Very low27.7Very low134 Ų134137.8 Ų137.872%0.71771%0.709SS**  trans72.3134.2144.7-73.6-10.4000122.2
444T27.4Very low27.8Very low107 Ų107135.9 Ų135.966%0.65670%0.704SS**  cis-159.5156.3-16.6-7.70000113.3
445T27.8Very low27.9Very low111 Ų111140.6 Ų140.668%0.68172%0.715SS**  trans60.1129.5155.249.40000120.8
446N28.5Very low28.1Very low126 Ų126143.6 Ų143.667%0.67472%0.719SS**  77141.552.7-68-18.8000113.3
447F26.6Very low28.4Very low184 Ų184137.9 Ų137.981%0.80771%0.711SS**  cis-155.7174.910.7-93.2-31.7000109.1
448S29.7Very low28.9Very low76 Ų76141 Ų14153%0.53172%0.723SS.*  cis179.4161.7-2866.30000110.8
449K31.9Very low29.7Very low173 Ų173136.1 Ų136.175%0.75272%0.718SS**  trans70.5145.9157.2-64.5166162.7-83.60117.6
450E28Very low31Very low120 Ų120133.9 Ų133.956%0.56172%0.719SS**  cis-155.1-179.3-8.6-118.9170.1-93.600107
451K28.3Very low32.6Very low153 Ų153131.1 Ų131.167%0.66570%0.696SS**  cis-149.4-153.818.8-145.5-178.4168.722.30113.9
452D26.5Very low33.8Very low114 Ų114128 Ų12861%0.6168%0.676SS**  trans-98.6155.7-164.2-38.7-54.6000113.4
453I28.5Very low35Very low150 Ų150131 Ų13177%0.76969%0.686SS**  179.8141.1107.8-92.8170.7000111.2
454N28.5Very low36.6Very low137 Ų137128.9 Ų128.973%0.73370%0.696SS**  trans61.395168.8-66.8-10.3000119.2
455E28.3Very low38.5Very low196 Ų196126.2 Ų126.292%0.91668%0.679SS**  trans-66.7147.2148-61178119.200110.7
456F28.7Very low40.9Very low183 Ų183125.1 Ų125.180%0.80367%0.669SS**  trans-113.1153.3157.6-102-99.2000109.1
457P32.8Very low43Very low110 Ų110125 Ų12571%0.71467%0.665SS**  trans-64.1150.7-167.5-22.934.4000114.1C459P457-C459 PolarHBondContact O-N 3.06Å
458L34.5Very low45.1Very low178 Ų178123.3 Ų123.393%0.93266%0.659SS**  trans-67.574.1176.1-70.3171.2000112.7S460L458-S460 PolarHBondContact O-N 2.78Å
459C40.1Very low47.1Very low97 Ų97124.1 Ų124.166%0.65566%0.661SS**PPolyproline II helixtrans-68.7116.1151.4-75.60000108P457 L461P457-C459 PolarHBondContact O-N 3.06Å; C459-L461 PolarHBondContact O-N 2.96Å
460S52.5Low49.4Very low101 Ų101116.8 Ų116.871%0.70663%0.629SS**PPolyproline II helixtrans-63.9116.7168.540.50000109.4L458L458-S460 PolarHBondContact O-N 2.78Å
461L59.1Low51.6Low43 Ų43117.9 Ų117.923%0.22563%0.632CS.*PPolyproline II helixtrans-55.7149.1171.2-72.8171.4000109.8C459 V465 Q467 F470C459-L461 PolarHBondContact O-N 2.96Å; L461-V465 HydrophobicContact CB-CB 4.34Å; L461-V465 HydrophobicContact CD1-CG1 4.37Å; L461-V465 HydrophobicContact CD2-CG1 4.31Å; L461-Q467 HydrophobicContact CD1-CB 3.96Å; L461-Q467 HydrophobicContact CD1-CG 3.87Å; L461-F470 HydrophobicContact CD1-CB 4.43Å; L461-F470 HydrophobicContact CD1-CG 4.46Å; L461-F470 HydrophobicContact CD2-CD1 4.01Å; L461-F470 HydrophobicContact CD2-CD2 3.89Å; L461-F470 HydrophobicContact CD2-CE1 4.08Å; L461-F470 HydrophobicContact CD2-CE2 3.96Å; L461-F470 HydrophobicContact CD2-CG 3.92Å; L461-F470 HydrophobicContact CD2-CZ 4.05Å
462P66.2Low53.7Low51 Ų51118.9 Ų118.933%0.33164%0.639SS.*PPolyproline II helixtrans-55.7142.9173.6-21.632.2000111.4G464 V465P462-G464 PolarHBondContact O-N 3.4Å; P462-V465 HydrophobicContact CB-CG2 3.97Å; P462-V465 HydrophobicContact CG-CG2 4.18Å; P462-V465 WeakPolarHBondContact O-CB 3.37Å; P462-V465 PolarHBondContact O-N 3.06Å
463E54.5Low55.8Low207 Ų207116 Ų11697%0.96762%0.623SS**THydrogen-bonded Turntrans-56.2128.2179.2-67.9-178.3124.900110.8
464G61.3Low58.3Low89 Ų89112.3 Ų112.392%0.91861%0.609SS**THydrogen-bonded Turntrans91.6-3.3-175.400000115.8P462P462-G464 PolarHBondContact O-N 3.4Å
465V67.3Low60.3Low52 Ų52110.3 Ų110.332%0.31560%0.601SS.*  trans-85.6116.4171.41790000110.3L461 P462 F470L461-V465 HydrophobicContact CB-CB 4.34Å; L461-V465 HydrophobicContact CD1-CG1 4.37Å; L461-V465 HydrophobicContact CD2-CG1 4.31Å; P462-V465 HydrophobicContact CB-CG2 3.97Å; P462-V465 HydrophobicContact CG-CG2 4.18Å; P462-V465 WeakPolarHBondContact O-CB 3.37Å; P462-V465 PolarHBondContact O-N 3.06Å; V465-F470 HydrophobicContact CG1-CB 4.15Å; V465-F470 HydrophobicContact CG1-CD2 4.03Å; V465-F470 HydrophobicContact CG1-CG 4.44Å
466D77.3Confident61.9Low88 Ų88106.4 Ų106.447%0.47159%0.587SS.*  trans-69.4131175.6-176.7-74.2000111.7E468 V469 F470D466-E468 WeakPolarHBondContact OD1-CA 3.37Å; D466-E468 WeakPolarHBondContact OD1-CB 3.27Å; D466-E468 PolarHBondContact OD1-N 3.09Å; D466-V469 HydrophobicContact CB-CB 4.09Å; D466-V469 HydrophobicContact CB-CG2 3.99Å; D466-V469 PolarHBondContact OD1-N 3.16Å; D466-F470 VanDerWaalsContact O-CB 3.29Å; D466-F470 WeakPolarHBondContact O-CB 3.31Å; D466-F470 PolarHBondContact O-N 2.69Å
467Q71.8Confident63.9Low123 Ų123100.8 Ų100.858%0.57556%0.564SS**Hα-helixtrans-78.8-18.2-172.2-166.2174.933.500113.9L461 K471L461-Q467 HydrophobicContact CD1-CB 3.96Å; L461-Q467 HydrophobicContact CD1-CG 3.87Å; Q467-K471 WeakPolarHBondContact O-CD 3.36Å; Q467-K471 VanDerWaalsContact O-CG 3.3Å; Q467-K471 WeakPolarHBondContact O-CG 3.3Å
468E70.6Confident66.1Low149 Ų14997.8 Ų97.870%0.69654%0.541SS*.Hα-helixtrans-87.2-40.6175.2-59.2-170.8165.800110.4D466 K471D466-E468 WeakPolarHBondContact OD1-CA 3.37Å; D466-E468 WeakPolarHBondContact OD1-CB 3.27Å; D466-E468 PolarHBondContact OD1-N 3.09Å; E468-K471 PolarHBondContact O-N 2.71Å
469V71.9Confident68Low92 Ų9295.7 Ų95.756%0.55853%0.526SS*.Hα-helixtrans-63-45.6172.31790000111D466 K471 Q472D466-V469 HydrophobicContact CB-CB 4.09Å; D466-V469 HydrophobicContact CB-CG2 3.99Å; D466-V469 PolarHBondContact OD1-N 3.16Å; V469-K471 VanDerWaalsContact C-N 3.27Å; V469-K471 PolarHBondContact O-N 2.99Å; V469-Q472 PolarHBondContact O-N 2.76Å
470F81.2Confident69.6Low20 Ų2097.8 Ų97.89%0.08853%0.527CS..Hα-helixtrans-56.2-40.1180-177.2-93.1000112.6L461 V465 D466 Q472 L473 Q478 I481 L482L461-F470 HydrophobicContact CD1-CB 4.43Å; L461-F470 HydrophobicContact CD1-CG 4.46Å; L461-F470 HydrophobicContact CD2-CD1 4.01Å; L461-F470 HydrophobicContact CD2-CD2 3.89Å; L461-F470 HydrophobicContact CD2-CE1 4.08Å; L461-F470 HydrophobicContact CD2-CE2 3.96Å; L461-F470 HydrophobicContact CD2-CG 3.92Å; L461-F470 HydrophobicContact CD2-CZ 4.05Å; V465-F470 HydrophobicContact CG1-CB 4.15Å; V465-F470 HydrophobicContact CG1-CD2 4.03Å; V465-F470 HydrophobicContact CG1-CG 4.44Å; D466-F470 VanDerWaalsContact O-CB 3.29Å; D466-F470 WeakPolarHBondContact O-CB 3.31Å; D466-F470 PolarHBondContact O-N 2.69Å; F470-Q472 PolarHBondContact O-N 1.8Å; F470-L473 HydrophobicContact CD2-CD1 4.34Å; F470-L473 WeakPolarHBondContact O-CB 3.29Å; F470-L473 PolarHBondContact O-N 3.32Å; F470-Q478 HydrophobicContact CD1-CG 4.45Å; F470-Q478 HydrophobicContact CE1-CB 4.15Å; F470-Q478 HydrophobicContact CE1-CG 3.94Å; F470-Q478 HydrophobicContact CE2-CB 4.17Å; F470-Q478 HydrophobicContact CE2-CG 4.18Å; F470-Q478 HydrophobicContact CZ-CB 3.63Å; F470-Q478 HydrophobicContact CZ-CG 3.8Å; F470-Q478 PolarHBondContact O-NE2 3.07Å; F470-I481 HydrophobicContact CD2-CD1 4.26Å; F470-I481 HydrophobicContact CD2-CG2 4.35Å; F470-I481 HydrophobicContact CE2-CB 4.05Å; F470-I481 HydrophobicContact CE2-CD1 4.17Å; F470-I481 HydrophobicContact CE2-CG2 3.81Å; F470-L482 HydrophobicContact CZ-CD1 4.1Å; F470-L482 HydrophobicContact CZ-CD2 4.46Å; F470-L482 HydrophobicContact CZ-CG 4.09Å
471K73.1Confident70.7Confident142 Ų14295.9 Ų95.962%0.61751%0.508SS*.THydrogen-bonded Turntrans-66.3-18.9178.9-72.9170-175171.10114.3Q467 E468 V469Q467-K471 WeakPolarHBondContact O-CD 3.36Å; Q467-K471 VanDerWaalsContact O-CG 3.3Å; Q467-K471 WeakPolarHBondContact O-CG 3.3Å; E468-K471 PolarHBondContact O-N 2.71Å; V469-K471 VanDerWaalsContact C-N 3.27Å; V469-K471 PolarHBondContact O-N 2.99Å
472Q72.2Confident71.6Confident174 Ų17497.9 Ų97.981%0.81352%0.518SS*.THydrogen-bonded Turntrans-96.8-1.1177.9-61.3-164.827.600113.4V469 F470V469-Q472 PolarHBondContact O-N 2.76Å; F470-Q472 PolarHBondContact O-N 1.8Å
473L71.9Confident71.6Confident55 Ų5598.7 Ų98.729%0.28853%0.525SS..SBendtrans-76146174.3-64175.7000111.4F470 I477 Q478 I481F470-L473 HydrophobicContact CD2-CD1 4.34Å; F470-L473 WeakPolarHBondContact O-CB 3.29Å; F470-L473 PolarHBondContact O-N 3.32Å; L473-I477 HydrophobicContact CB-CG2 4.48Å; L473-I477 HydrophobicContact CD1-CG2 4.15Å; L473-Q478 HydrophobicContact CB-CG 4.02Å; L473-Q478 PolarHBondContact O-NE2 2.92Å; L473-I481 HydrophobicContact CD1-CD1 3.54Å
474P80.4Confident71.7Confident71 Ų7191.8 Ų91.846%0.46151%0.51SS..  trans-50.5146.3164.4-28.536.3000113D476 I477 Q478P474-D476 VanDerWaalsContact C-N 3.32Å; P474-D476 WeakPolarHBondContact CB-OD1 3.31Å; P474-D476 PolarHBondContact O-N 3.16Å; P474-I477 HydrophobicContact CB-CD1 4.39Å; P474-I477 HydrophobicContact CB-CG1 4.35Å; P474-I477 HydrophobicContact CG-CD1 4.22Å; P474-I477 WeakPolarHBondContact O-CB 3.38Å; P474-I477 PolarHBondContact O-N 3.29Å; P474-Q478 PolarHBondContact O-N 3.3Å
475V70Confident71Confident96 Ų9696.2 Ų96.258%0.58250%0.504SS*.Hα-helixtrans-62.4-37.5-171.2-179.50000112.3I477 Q478 E479V475-I477 VanDerWaalsContact C-N 3.28Å; V475-I477 PolarHBondContact O-N 3.42Å; V475-Q478 WeakPolarHBondContact O-CB 3.39Å; V475-Q478 PolarHBondContact O-N 3.34Å; V475-E479 PolarHBondContact O-N 3.37Å
476D63Low69.8Low113 Ų11398 Ų9860%0.60452%0.519SS*.Hα-helixtrans-58.7-38173.553.4-50.5000112.6P474 E480P474-D476 VanDerWaalsContact C-N 3.32Å; P474-D476 WeakPolarHBondContact CB-OD1 3.31Å; P474-D476 PolarHBondContact O-N 3.16Å; D476-E480 PolarHBondContact O-N 3.14Å
477I70.1Confident68Low65 Ų65105.2 Ų105.233%0.33354%0.539SS..Hα-helixtrans-76.3-35.3176.4-56.9-177.1000110.9L473 P474 V475 E479 E480 I481L473-I477 HydrophobicContact CB-CG2 4.48Å; L473-I477 HydrophobicContact CD1-CG2 4.15Å; P474-I477 HydrophobicContact CB-CD1 4.39Å; P474-I477 HydrophobicContact CB-CG1 4.35Å; P474-I477 HydrophobicContact CG-CD1 4.22Å; P474-I477 WeakPolarHBondContact O-CB 3.38Å; P474-I477 PolarHBondContact O-N 3.29Å; V475-I477 VanDerWaalsContact C-N 3.28Å; V475-I477 PolarHBondContact O-N 3.42Å; I477-E479 VanDerWaalsContact C-N 3.35Å; I477-E480 PolarHBondContact O-N 2.97Å; I477-I481 HydrophobicContact CG2-CD1 4.02Å; I477-I481 VanDerWaalsContact O-CG1 3.29Å; I477-I481 WeakPolarHBondContact O-CG1 3.21Å; I477-I481 PolarHBondContact O-N 3.14Å
478Q79.7Confident66.3Low47 Ų47108.2 Ų108.222%0.2255%0.553CS.*Hα-helixtrans-61.6-42.5172-65.6-174.734.300111.3F470 L473 P474 V475 I481 L482F470-Q478 HydrophobicContact CD1-CG 4.45Å; F470-Q478 HydrophobicContact CE1-CB 4.15Å; F470-Q478 HydrophobicContact CE1-CG 3.94Å; F470-Q478 HydrophobicContact CE2-CB 4.17Å; F470-Q478 HydrophobicContact CE2-CG 4.18Å; F470-Q478 HydrophobicContact CZ-CB 3.63Å; F470-Q478 HydrophobicContact CZ-CG 3.8Å; F470-Q478 PolarHBondContact O-NE2 3.07Å; L473-Q478 HydrophobicContact CB-CG 4.02Å; L473-Q478 PolarHBondContact O-NE2 2.92Å; P474-Q478 PolarHBondContact O-N 3.3Å; V475-Q478 WeakPolarHBondContact O-CB 3.39Å; V475-Q478 PolarHBondContact O-N 3.34Å; Q478-I481 PolarHBondContact O-N 3.37Å; Q478-L482 VanDerWaalsContact O-CG 3.3Å; Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 3.12Å; Q478-L482 VanDerWaalsContact O-N 3.11Å
479E72.9Confident64.5Low135 Ų135110.3 Ų110.363%0.63156%0.56SS**Hα-helixtrans-67.9-37.3175.9-72.6-171.3-178.800113.1V475 I477 L482 S483V475-E479 PolarHBondContact O-N 3.37Å; I477-E479 VanDerWaalsContact C-N 3.35Å; E479-L482 PolarHBondContact O-N 3.07Å; E479-S483 VanDerWaalsContact O-CB 3.25Å; E479-S483 WeakPolarHBondContact O-CB 3.46Å; E479-S483 PolarHBondContact O-N 3.45Å; E479-S483 PolarHBondContact O-OG 3.26Å
480E74.9Confident62.4Low141 Ų141116.1 Ų116.166%0.65958%0.578SS**Hα-helixtrans-62.7-45.7174-171.8172.5-164.700111.6D476 I477 L482 S483 G484D476-E480 PolarHBondContact O-N 3.14Å; I477-E480 PolarHBondContact O-N 2.97Å; E480-L482 VanDerWaalsContact C-N 3.33Å; E480-L482 PolarHBondContact O-N 3.1Å; E480-S483 PolarHBondContact O-N 3.4Å; E480-S483 PolarHBondContact O-OG 2.95Å; E480-G484 PolarHBondContact O-N 3.1Å; E480-G484 VanDerWaalsContact O-N 3.15Å
481I76.1Confident60.1Low60 Ų60124.4 Ų124.431%0.30862%0.617SS.*Hα-helixtrans-61.8-40178-69166.3000111.6F470 L473 I477 Q478F470-I481 HydrophobicContact CD2-CD1 4.26Å; F470-I481 HydrophobicContact CD2-CG2 4.35Å; F470-I481 HydrophobicContact CE2-CB 4.05Å; F470-I481 HydrophobicContact CE2-CD1 4.17Å; F470-I481 HydrophobicContact CE2-CG2 3.81Å; L473-I481 HydrophobicContact CD1-CD1 3.54Å; I477-I481 HydrophobicContact CG2-CD1 4.02Å; I477-I481 VanDerWaalsContact O-CG1 3.29Å; I477-I481 WeakPolarHBondContact O-CG1 3.21Å; I477-I481 PolarHBondContact O-N 3.14Å; Q478-I481 PolarHBondContact O-N 3.37Å
482L77.8Confident58Low85 Ų85121.1 Ų121.145%0.44562%0.623SS.*Hα-helixtrans-75.1-33.8179.3-69.2170.8000113F470 Q478 E479 E480F470-L482 HydrophobicContact CZ-CD1 4.1Å; F470-L482 HydrophobicContact CZ-CD2 4.46Å; F470-L482 HydrophobicContact CZ-CG 4.09Å; Q478-L482 VanDerWaalsContact O-CG 3.3Å; Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 3.12Å; Q478-L482 VanDerWaalsContact O-N 3.11Å; E479-L482 PolarHBondContact O-N 3.07Å; E480-L482 VanDerWaalsContact C-N 3.33Å; E480-L482 PolarHBondContact O-N 3.1Å
483S66.3Low56.1Low69 Ų69123.3 Ų123.348%0.48363%0.63SS.*Hα-helixtrans-82.4-15.5-177.760.10000114.7E479 E480 K485 S486E479-S483 VanDerWaalsContact O-CB 3.25Å; E479-S483 WeakPolarHBondContact O-CB 3.46Å; E479-S483 PolarHBondContact O-N 3.45Å; E479-S483 PolarHBondContact O-OG 3.26Å; E480-S483 PolarHBondContact O-N 3.4Å; E480-S483 PolarHBondContact O-OG 2.95Å; S483-K485 PolarHBondContact O-N 3.16Å; S483-S486 PolarHBondContact O-N 3.28Å; S483-S486 PolarHBondContact O-OG 3.39Å
484G55.8Low53.9Low62 Ų62124.7 Ų124.764%0.63966%0.658SS**G310 helixtrans-57.2-16-17700000116.8E480 S486E480-G484 PolarHBondContact O-N 3.1Å; E480-G484 VanDerWaalsContact O-N 3.15Å; G484-S486 PolarHBondContact O-N 3Å
485K46.2Very low51.4Low182 Ų182126.7 Ų126.779%0.79167%0.673SS**G310 helixtrans-72-1.5177.9-96177177.4169.20115.5S483S483-K485 PolarHBondContact O-N 3.16Å
486S41.8Very low49.3Very low90 Ų90128.3 Ų128.363%0.62968%0.683SS**G310 helixtrans-107.4-6.9-163.461.90000117.2S483 G484S483-S486 PolarHBondContact O-N 3.28Å; S483-S486 PolarHBondContact O-OG 3.39Å; G484-S486 PolarHBondContact O-N 3Å
487R39.6Very low47.5Very low238 Ų238128.5 Ų128.590%0.89869%0.693SS**  trans-11334.4-164.3-95.9-175.4171.1179.8-0.6117.9
488E36.7Very low45.4Very low186 Ų186131.3 Ų131.387%0.86972%0.717SS**  trans-121.974.2162.4-75.2-154.1138.800113.1
489K33.2Very low43.2Very low194 Ų194134.2 Ų134.284%0.84374%0.74SS**  trans-178116.7150.3-101145.3-170.1169.30111.5
490F28.1Very low41Very low213 Ų213135 Ų13593%0.93475%0.748SS**  trans153.2143.5137.4-94.6-75.5000111.4
491Q32.9Very low38.6Very low195 Ų195136.8 Ų136.891%0.91176%0.756SS**  trans-109.6150.6177.5-65.9177-20.100110.5
492G28.7Very low36.2Very low72 Ų72138 Ų13874%0.74278%0.775SS**  trans142.8119.2150.900000117.7
493K30.9Very low33.7Very low221 Ų221139.2 Ų139.296%0.96179%0.79SS**  trans33.4116.4146.4-58177.9-179.9178.50119
494G27.1Very low31.8Very low84 Ų84147.8 Ų147.887%0.86681%0.812SS**  trans-166.3126.3165.900000114.2
495S26.7Very low30.3Very low113 Ų113148.5 Ų148.579%0.7982%0.82SS**  trans-91133.5-173.6165.20000113.8
496V27.7Very low29.3Very low129 Ų129146.8 Ų146.878%0.78282%0.824SS**  trans54.7119.7144.7179.10000120
497S25.2Very low28.4Very low117 Ų117150 Ų15082%0.81883%0.834SS**  -166.6162.212027.80000112.5
498C25.2Very low27.7Very low125 Ų125144.1 Ų144.185%0.84583%0.829SS**  trans-120.7166.8-177.6-99.70000108.4
499P33.5Very low27.1Very low108 Ų108144.3 Ų144.370%0.70183%0.827SS**  cis-150172.145.641.4-20.3000119.3
500L25.7Very low26.7Very low152 Ų152144.6 Ų144.680%0.79683%0.829SS**  trans27.6137140-54.2172.4000119.4
501H25.9Very low26.5Very low177 Ų177140.4 Ų140.482%0.81983%0.826SS**  -158.9175.862.3-140.1-92000114.4
502A24.6Very low26.1Very low85 Ų85140.3 Ų140.370%0.70282%0.823SS**  trans-132.9150.3-178.700000114.6
503S26.8Very low26Very low111 Ų111147.1 Ų147.178%0.77683%0.832SS**  trans-150.5130.7179.1-49.30000105.9
504R25.9Very low25.7Very low249 Ų249143.9 Ų143.994%0.9482%0.82SS**  cis49.8113.139.5-66.6-172177.4-171.80.6111.5
505G22.8Very low25.6Very low78 Ų78145.9 Ų145.980%0.80481%0.808SS**  cis119.4115.616.900000108
506V25.5Very low25.5Very low146 Ų146150 Ų15089%0.88582%0.815SS**  trans-127.3135.9-166.3-178.30000111.4
507L24.3Very low25.3Very low157 Ų157149.6 Ų149.682%0.82281%0.809SS**  trans-127.8-175.9167.7-101.8173.4000107.7
508S25Very low25.4Very low114 Ų114152 Ų15280%0.79781%0.81SS**  trans77.3125.9170.771.20000117.9
509F23.3Very low25.6Very low190 Ų190151.2 Ų151.283%0.83380%0.804SS**  trans-88.2175160.1-104.8-113.6000109.8
510F24.8Very low25.2Very low200 Ų200154.2 Ų154.288%0.87781%0.812SS**  trans91.9111.1166.5-60-72.3000118.1
511S25.1Very low25.3Very low126 Ų126154 Ų15488%0.88181%0.812SS**  trans-142.3158.2137.3-1680000109.7
512K24Very low26.4Very low192 Ų192150.3 Ų150.384%0.83580%0.804SS**  trans-85.2155.2-174.9-58.2173.3-178.4177.80110.9
513K26.7Very low26.5Very low215 Ų215157.6 Ų157.694%0.93581%0.813SS**  trans-142.2150.5145.1-133.9175.2-176.4-177.10110.3
514Q24.7Very low26.5Very low153 Ų153158 Ų15872%0.71581%0.806SS**  trans-139.2139.7-159.4176.3176.2-3.600110
515M24.7Very low26.7Very low126 Ų126155.2 Ų155.262%0.62180%0.804SS**  trans52128.3162.6-66.6168.978.900119.8D517M515-D517 WeakPolarHBondContact CE-OD2 3.35Å
516Q24.4Very low26.8Very low201 Ų201158.6 Ų158.694%0.93980%0.803SS**  -138.5132.9125.4-103.9179.4-14.100107.7
517D24.1Very low26.9Very low120 Ų120157.6 Ų157.664%0.64280%0.802SS**  trans-91.8157.2179.6-53.9-76.7000111.6M515M515-D517 WeakPolarHBondContact CE-OD2 3.35Å
518I26Very low27Very low166 Ų166155.6 Ų155.685%0.85180%0.801SS**  -168.8140.3125.4-100.2156.5000109.5
519P30Very low27.1Very low109 Ų109155.5 Ų155.571%0.70880%0.8SS**  trans-105.3169.5-16940.5-36.6000114.4
520I25.6Very low27.3Very low172 Ų172155.1 Ų155.188%0.88280%0.799SS**  trans-152.6148145.5-98.8143.8000107.9
521N27.4Very low27.4Very low146 Ų146153.6 Ų153.678%0.78179%0.794SS**  trans-117.5-162.8-171.3-150.85.4000110.9
522P49.7Very low27.4Very low101 Ų101154 Ų15466%0.65679%0.791SS**  -117177.9-122.339.7-23000114.1
523R26.3Very low27.4Very low237 Ų237149.2 Ų149.289%0.89478%0.782SS**  trans-160.5153.5138.1-118.7168-173.2166.85.4115.8
524D27.1Very low27.4Very low119 Ų119143.8 Ų143.864%0.63677%0.771SS**  trans-54.4163.2179.1-42.9-81.9000114.9
525H28.5Very low27.5Very low191 Ų191143.3 Ų143.388%0.88478%0.778SS**  -157.6129113.9-106.6-70.2000112.5
526L26.7Very low27.6Very low150 Ų150142.1 Ų142.179%0.78578%0.782SS**  trans-72.2150.6163.7-77.667.2000110
527S27.6Very low28.2Very low124 Ų124137.8 Ų137.887%0.86777%0.772SS**  trans-156.8150.5133.1510000111.1
528S25.2Very low28.3Very low116 Ų116137.7 Ų137.781%0.81178%0.779SS**  trans-143.3138.3-173.258.70000112.8
529S27.5Very low28.4Very low111 Ų111138.4 Ų138.478%0.77678%0.779SS**  trans-147.1118.3155.148.50000106.6
530K27.5Very low28.8Very low183 Ų183139.6 Ų139.680%0.79679%0.786SS**  55.799.674.6-69.1-168.2174.4-176.20111.5
531Q26.9Very low28.7Very low167 Ų167135 Ų13578%0.7878%0.782SS**  84.2120.661.4179.8-17234.300111.8
532V25.1Very low28.6Very low135 Ų135134.9 Ų134.982%0.81879%0.786SS**  -179.1148.7129.7148.60000110.8
533S24.6Very low27.6Very low92 Ų92136.2 Ų136.264%0.64380%0.798SS**  trans-57.3157-164.254.70000122.6
534S26.6Very low27.5Very low101 Ų101128.1 Ų128.171%0.70679%0.788SS**  trans65.4134.5130.365.80000122.5
535V26Very low27.4Very low142 Ų142131.8 Ų131.886%0.86180%0.799SS**  -175.4145.5106.5145.10000110.9
536S26.3Very low27.2Very low102 Ų102129.4 Ų129.471%0.71379%0.793SS**  trans-130.3169.9161.276.80000107
537P38Very low27Very low110 Ų110126.4 Ų126.471%0.71478%0.784SS**  cis-140.8-162.324.936.5-12.4000114.6
538C25.2Very low26.9Very low117 Ų117125.7 Ų125.779%0.79178%0.78SS**  trans139.5118.7135.1-74.80000115.1
539E29.4Very low26.9Very low182 Ų182125.8 Ų125.885%0.8578%0.78SS**  trans-86.4168.4136.3-54.9-169.6149.800108.5
540P36.8Very low26.9Very low133 Ų133125.7 Ų125.786%0.86478%0.779SS**  -149.2169.483.539.1-21.7000115.5
541G24.4Very low26.7Very low77 Ų77122.2 Ų122.279%0.79478%0.778SS**  trans17188.216600000117
542T26Very low26.6Very low142 Ų142124.2 Ų124.287%0.87178%0.78SS**  trans-106.8129.5-176.552.20000115.1
543S28.1Very low26.6Very low130 Ų130125.3 Ų125.391%0.90978%0.778SS**  trans178.3152.9150.850.60000110.8
544G24Very low26.6Very low66 Ų66125.5 Ų125.568%0.6878%0.78SS**  cis166.3122.6-9.900000114
545F24.5Very low26.6Very low196 Ų196126.5 Ų126.586%0.8679%0.787SS**  trans66.5139.2158.4-71.6-81.4000123.2
546N24Very low26.6Very low141 Ų141128 Ų12875%0.75478%0.784SS**  trans68.5158.9144.7-67.8-5.1000120.9
547S24.3Very low26.5Very low87 Ų87132.7 Ų132.761%0.60879%0.792SS**  cis-179.6150.3-39.754.10000109.2
548S25.1Very low25.9Very low110 Ų110133.2 Ų133.277%0.76979%0.788SS**  trans60.5165.4164.9570000116.9
549S24.7Very low25.9Very low117 Ų117138.4 Ų138.482%0.81879%0.793SS**  cis-159.9177.1-26.5-96.60000109.6
550S26.8Very low25.7Very low109 Ų109133.3 Ų133.376%0.76278%0.777SS**  trans-79.9142-17656.80000116.6
551S24.4Very low25.2Very low111 Ų111136.1 Ų136.178%0.77677%0.772SS**  trans-158.2122.4145.853.90000108.8
552Y25.2Very low25.4Very low209 Ų209141.4 Ų141.482%0.8277%0.77SS**  71.415162.9-95.5-80.7000116
553M23.1Very low25.5Very low157 Ų157141.3 Ų141.377%0.77376%0.763SS**  trans79.5118.1-170.6-51.7-72.388.500114.1
554S25.1Very low25.4Very low97 Ų97141 Ų14168%0.67875%0.751SS**  cis113.2122776.50000114.2
555S27.4Very low25.6Very low122 Ų122142.8 Ų142.885%0.85375%0.745SS**  trans-153114.6150.357.60000109.9
556Q24.6Very low25.7Very low172 Ų172143.2 Ų143.280%0.80474%0.741SS**  trans-78.9152.4164.2-63.1164.9-8800109.3
557K25.5Very low25.8Very low202 Ų202143 Ų14388%0.87874%0.739SS**  -164.5146.1115.9-108.9170.4-177.8179.90112.6
558D25.7Very low26Very low120 Ų120146.2 Ų146.264%0.64274%0.742SS**  trans-82.8162-176.2-40.5-96.6000111.1
559Y25.1Very low26Very low226 Ų226146.2 Ų146.289%0.88673%0.733SS**  -172.4163.1103.4-108.2-77.7000112
560S25.3Very low26.2Very low75 Ų75147.4 Ų147.452%0.52473%0.726SS.*  trans-121.2145.6-171.3530000112.4
561Y26.6Very low26.2Very low193 Ų193150.8 Ų150.876%0.75772%0.722SS**  163.9143111.7-94.6-59.8000116.4
562Y28.3Very low26.3Very low188 Ų188152.5 Ų152.574%0.73772%0.721SS**  trans57.2122.1141.2-83.4-50000126
563L27.5Very low26.3Very low140 Ų140146.8 Ų146.873%0.73371%0.712SS**  78.1117.1124.7-129.686000122.6
564D26.2Very low26.4Very low122 Ų122148.1 Ų148.165%0.65272%0.716SS**  101.3129122.6-11723.5000125.3
565N27.2Very low26.3Very low105 Ų105146.4 Ų146.456%0.56171%0.714SS**  trans52.1118.6139-87.6-50.5000123.7
566R26.8Very low26.6Very low205 Ų205146.2 Ų146.277%0.77471%0.71SS**  88.5119.5125.3-76.2172.7-168.4-138.22.1123.1
567L26.9Very low26.7Very low135 Ų135147.9 Ų147.971%0.70771%0.714SS**  81.2117.2126.2-67169.5000121
568K27.6Very low26.7Very low156 Ų156146.8 Ų146.868%0.67871%0.712SS**  103.4128.3121.3-84.8-176.3149.5-68.40121.6
569D26.4Very low27.1Very low110 Ų110146.6 Ų146.659%0.58872%0.717SS**  trans75.8111.3131.8-61.3-2.7000121.8
570E28.1Very low27.1Very low141 Ų141144.1 Ų144.166%0.65971%0.714SS**  trans76.5148.9132.5-61.4-158.3150.900120.2
571R26.6Very low27Very low181 Ų181144.3 Ų144.368%0.68373%0.728SS**  cis-163.9159-8-119.5-177-147.3175.621.8109.3
572I26.4Very low27.1Very low146 Ų146143.5 Ų143.575%0.74973%0.728SS**  trans62.3128.1151.6-65.3165000116.1
573S25Very low26.9Very low90 Ų90143.8 Ų143.863%0.62974%0.736SS**  cis-159.5-161.5-4.352.90000107.3
574Q26.3Very low27Very low185 Ų185142.1 Ų142.186%0.86472%0.723SS**  cis-160-174.112.9-145.7166.6114.600110.3
575G22.1Very low27Very low61 Ų61142.9 Ų142.963%0.62973%0.732SS**  trans-101.2-158.7172.200000113.6
576P34.7Very low26.9Very low118 Ų118145.5 Ų145.577%0.76675%0.746SS**  cis-134.7165.35.441.6-26.4000116.2
577K26.6Very low27.3Very low206 Ų206139.5 Ų139.590%0.89674%0.736SS**  176.7149.1124.8-96.3161.2-175.2178.70112.3
578E26.2Very low27.6Very low180 Ų180139.5 Ų139.584%0.84174%0.737SS**  trans-78.5168.9173.4-47.8173.9119.400111.1
579P32.6Very low28.4Very low115 Ų115135.3 Ų135.375%0.74773%0.725SS**  -143.6145.784.137.3-21.4000116.8
580Q25.6Very low28.9Very low174 Ų174132.1 Ų132.181%0.81371%0.714SS**  trans48.6105.7138.8-59.8178.5-3.200119.1
581G23.7Very low29.3Very low79 Ų79127 Ų12781%0.81469%0.693SS**  trans-82.1150.2173.700000115
582F27.8Very low29.5Very low176 Ų176119.3 Ų119.377%0.77267%0.666SS**  trans-101.2114.7174.5-71.7-93.4000111.1F584F582-F584 HydrophobicContact CB-CD2 4.41Å; F582-F584 HydrophobicContact CB-CE2 3.82Å; F582-F584 HydrophobicContact CB-CZ 4.19Å; F582-F584 PolarHBondContact O-N 2.99Å
583H24.8Very low29.6Very low194 Ų194114 Ų11490%0.89864%0.644SS**  trans-77.1104.1171.9-78.3-68.1000111.2
584F29Very low29.7Very low105 Ų105114.9 Ų114.946%0.46164%0.637SS.*PPolyproline II helixtrans-85.8139165.9-68.1-70.7000110.9V131 F582V131-F584 HydrophobicContact CG1-CD1 4.42Å; V131-F584 HydrophobicContact CG1-CE1 3.48Å; V131-F584 VanDerWaalsContact CG1-CE1 3.48Å; V131-F584 HydrophobicContact CG1-CZ 3.88Å; V131-F584 HydrophobicContact CG2-CE1 4.25Å; V131-F584 HydrophobicContact CG2-CZ 4.2Å; F582-F584 HydrophobicContact CB-CD2 4.41Å; F582-F584 HydrophobicContact CB-CE2 3.82Å; F582-F584 HydrophobicContact CB-CZ 4.19Å; F582-F584 PolarHBondContact O-N 2.99Å
585T26.2Very low29.7Very low138 Ų138110.8 Ų110.885%0.84762%0.618SS**PPolyproline II helixtrans-80.6136.4-177.242.30000112S587T585-S587 PolarHBondContact O-N 3Å
586N26.4Very low29.9Very low161 Ų161111.1 Ų111.186%0.86161%0.61SS**PPolyproline II helixtrans-62.2121-176.8-85.9-16.2000112.5
587S33.3Very low29.6Very low79 Ų79111.3 Ų111.355%0.55260%0.599SS**  trans-115.5115.6163.561.60000108.9T585T585-S587 PolarHBondContact O-N 3Å
588N35.3Very low29.6Very low135 Ų135105.2 Ų105.272%0.72258%0.581SS**  trans-55.9126.4-173.6-70.1-23.3000112.1
589P42.7Very low29.4Very low68 Ų68103.9 Ų103.944%0.44258%0.579SS.*  trans-72.4134.717630.2-33.9000110.4L103L103-P589 HydrophobicContact CD2-CB 4.19Å
590A36.6Very low29.2Very low43 Ų43103.6 Ų103.636%0.35557%0.571SS.*  trans-121.3137.917200000109.2V256V256-A590 HydrophobicContact CB-CB 4.32Å; V256-A590 VanDerWaalsContact CB-O 3.29Å; V256-A590 WeakPolarHBondContact CB-O 3.49Å; V256-A590 VanDerWaalsContact CG1-O 3.31Å; V256-A590 WeakPolarHBondContact CG1-O 3.39Å
591V36.9Very low29.4Very low34 Ų34101.4 Ų101.421%0.20656%0.561CS.*  trans-127.3156.4-179.1155.70000111.4V99 L103 L258V99-V591 HydrophobicContact CG1-CG1 3.91Å; V99-V591 HydrophobicContact CG1-CG2 4.48Å; L103-V591 HydrophobicContact CD1-CB 3.43Å; L103-V591 VanDerWaalsContact CD1-CB 3.43Å; L103-V591 HydrophobicContact CD1-CG1 4.13Å; L103-V591 HydrophobicContact CD1-CG2 3.34Å; L103-V591 HydrophobicContact CD2-CG2 4.01Å; L103-V591 HydrophobicContact CG-CG2 4.27Å; L258-V591 VanDerWaalsContact CA-O 3.31Å; L258-V591 WeakPolarHBondContact CA-O 3.5Å; L258-V591 PolarHBondContact N-O 3.1Å
592S30.8Very low29.5Very low18 Ų18102 Ų10213%0.12655%0.552CS.*  trans-151.4112.4178.963.20000109.4V256 I257 F594V256-S592 WeakPolarHBondContact CG1-OG 3.35Å; I257-S592 WeakPolarHBondContact O-CB 3.21Å; S592-F594 VanDerWaalsContact C-N 3.28Å; S592-F594 PolarHBondContact O-N 3.3Å; S592-F594 WeakPolarHBondContact OG-CD2 3.15Å; S592-F594 WeakPolarHBondContact OG-CE2 3.19Å
593A28.9Very low29.5Very low35 Ų35100.6 Ų100.629%0.28955%0.548SS..  trans-73.381175.400000110.6T96 H595T96-A593 HydrophobicContact CG2-CB 3.8Å; T96-A593 VanDerWaalsContact OG1-CB 3.32Å; T96-A593 WeakPolarHBondContact OG1-CB 3.48Å; A593-H595 PolarHBondContact O-N 2.93Å
594F26.8Very low29.5Very low109 Ų10997.5 Ų97.548%0.47853%0.534SS..  trans-71.694.1177.3-85.5-68.2000111.2S592 S596S592-F594 VanDerWaalsContact C-N 3.28Å; S592-F594 PolarHBondContact O-N 3.3Å; S592-F594 WeakPolarHBondContact OG-CD2 3.15Å; S592-F594 WeakPolarHBondContact OG-CE2 3.19Å; F594-S596 PolarHBondContact O-N 2.99Å
595H27.5Very low29.3Very low98 Ų98101 Ų10145%0.45456%0.557SS.*  trans-70.362.4165.8-63-58.5000111.9S92 A593 F597S92-H595 WeakPolarHBondContact CB-NE2 3.36Å; S92-H595 PolarHBondContact OG-CE1 3.29Å; A593-H595 PolarHBondContact O-N 2.93Å; H595-F597 VanDerWaalsContact C-N 3.31Å; H595-F597 HydrophobicContact CB-CE2 4.19Å; H595-F597 PolarHBondContact O-N 2.97Å
596S25Very low29.2Very low68 Ų68102.9 Ų102.948%0.47655%0.553SS.*  trans-77.877.2174.4-58.50000110.8F594 P598F594-S596 PolarHBondContact O-N 2.99Å; S596-P598 WeakPolarHBondContact O-CD 3.4Å
597F29Very low29Very low122 Ų122100.5 Ų100.554%0.53555%0.549SS..  trans-59.8122.3163.5-66.4-79.9000108.9Y25 H595 N599Y25-F597 AromaticContact CE1-CE1 3.94Å; Y25-F597 HydrophobicContact CE1-CE1 3.94Å; Y25-F597 AromaticContact CE1-CZ 3.86Å; Y25-F597 HydrophobicContact CE1-CZ 3.86Å; Y25-F597 AromaticContact CZ-CE1 3.79Å; Y25-F597 AromaticContact CZ-CZ 3.82Å; Y25-F597 VanDerWaalsContact OH-CZ 3.24Å; Y25-F597 WeakPolarHBondContact OH-CZ 3.5Å; H595-F597 VanDerWaalsContact C-N 3.31Å; H595-F597 HydrophobicContact CB-CE2 4.19Å; H595-F597 PolarHBondContact O-N 2.97Å; F597-N599 PolarHBondContact O-N 2.72Å; F597-N599 VanDerWaalsContact O-N 3.16Å
598P25.7Very low28.6Very low79 Ų79106.8 Ų106.851%0.51356%0.561SS.*  trans-74110.6-172.427.4-33.6000111.3S596 L600S596-P598 WeakPolarHBondContact O-CD 3.4Å; P598-L600 HydrophobicContact CB-CD1 4.36Å; P598-L600 PolarHBondContact O-N 2.83Å
599N23.9Very low28Very low151 Ų151107.2 Ų107.281%0.80756%0.563SS**  trans-73.671.5163.5-101.2-25.1000110F597F597-N599 PolarHBondContact O-N 2.72Å; F597-N599 VanDerWaalsContact O-N 3.16Å
600L26.4Very low27.1Very low110 Ų110111 Ų11158%0.57658%0.575SS**  trans-115.592.2171-90.6157.5000107.8P598P598-L600 HydrophobicContact CB-CD1 4.36Å; P598-L600 PolarHBondContact O-N 2.83Å
601Q30.5Very low26.5Very low128 Ų128115.4 Ų115.460%0.59860%0.598SS**  trans-89.4129.3176.9-73.7-171.3-30.100111.1
602S25.6Very low25.9Very low90 Ų90120.2 Ų120.263%0.62963%0.627SS**  trans-9.5132.6170.2-166.80000119.1
603E27.8Very low25.6Very low147 Ų147126.8 Ų126.869%0.68766%0.661SS**  -121.8135.1129.4-72.6-175.1148.400109.2
604Q25Very low25.5Very low130 Ų130130 Ų13061%0.60768%0.681SS**  trans-94.4119.8170.1-72.6167.4-5600108F606Q604-F606 HydrophobicContact CB-CD2 4.46Å; Q604-F606 HydrophobicContact CB-CE2 4.22Å; Q604-F606 PolarHBondContact O-N 2.8Å
605L24Very low25.6Very low178 Ų178134.1 Ų134.193%0.93270%0.702SS**  trans-77.4114.8167.4-71.8170.3000108.9
606F25Very low25.6Very low177 Ų177139.3 Ų139.378%0.77672%0.723SS**  trans-87.2117.5171.4-84.2-89.8000110.2Q604 R608Q604-F606 HydrophobicContact CB-CD2 4.46Å; Q604-F606 HydrophobicContact CB-CE2 4.22Å; Q604-F606 PolarHBondContact O-N 2.8Å; F606-R608 PolarHBondContact O-N 2.87Å
607S22.8Very low25.6Very low111 Ų111144.6 Ų144.678%0.77674%0.74SS**  trans-67.9117170-59.10000110.2N609S607-N609 PolarHBondContact O-N 3.45Å; S607-N609 VanDerWaalsContact O-N 3.08Å
608R23.7Very low25.4Very low211 Ų211145.4 Ų145.480%0.79676%0.755SS**  trans-82.678.7-179.6-169.5-176.8-171.8164.53.3111.1F606 H610F606-R608 PolarHBondContact O-N 2.87Å; R608-H610 PolarHBondContact O-N 3.33Å
609N24.1Very low25.4Very low144 Ų144147.6 Ų147.677%0.7777%0.767SS**  trans-69117.3169.1-75.43.8000109.4S607 T611S607-N609 PolarHBondContact O-N 3.45Å; S607-N609 VanDerWaalsContact O-N 3.08Å; N609-T611 PolarHBondContact O-N 2.61Å
610H23.5Very low25.5Very low149 Ų149144.8 Ų144.869%0.6977%0.765SS**  trans-78.5116.7171.2-82.6-108.1000109.8R608R608-H610 PolarHBondContact O-N 3.33Å
611T24.1Very low25.5Very low135 Ų135145.9 Ų145.983%0.82878%0.776SS**  trans-118.5108.9160.747.60000108.3N609N609-T611 PolarHBondContact O-N 2.61Å
612T24.6Very low25.3Very low135 Ų135147 Ų14783%0.82879%0.786SS**  trans-77.7125.1170.546.80000109.6
613D24.5Very low25.4Very low156 Ų156147.3 Ų147.383%0.83479%0.788SS**  trans-146.9171.3151.9-142.8-30.2000110.9
614S26Very low25.3Very low101 Ų101148.1 Ų148.171%0.70679%0.791SS**  trans-118.1132.1-148.954.10000113.3
615H28.9Very low25.5Very low197 Ų197150.1 Ų150.191%0.91280%0.801SS**PPolyproline II helixtrans-87.6132.3174.9-95.2-79.5000112
616K28.1Very low25.5Very low206 Ų206144.8 Ų144.890%0.89679%0.789SS**PPolyproline II helixtrans-94.4159.5165.7-78-175.7174.7179.40111.6
617Q25.1Very low25.7Very low179 Ų179143.8 Ų143.884%0.83679%0.791SS**PPolyproline II helixtrans-86.2147.3-178.6-59165.8-70.100113.7
618T23.7Very low26Very low140 Ų140143.9 Ų143.986%0.85979%0.787SS**  trans-168.2126141.731.30000105.7
619V26Very low26.2Very low125 Ų125142 Ų14276%0.75879%0.788SS**  cis98.5113.729.2176.20000113.5
620A26.8Very low26.4Very low92 Ų92141.8 Ų141.876%0.7679%0.786SS**  trans65.8161166.900000117.1
621T25Very low26.5Very low133 Ų133146.5 Ų146.582%0.81680%0.798SS**  cis-138.5162.111.242.30000113.4
622D26.4Very low27Very low151 Ų151148.9 Ų148.981%0.80780%0.8SS**  trans-69.2167.6172.1-53.1-86.8000115.4
623S27.3Very low27.6Very low96 Ų96147.7 Ų147.767%0.67179%0.794SS**  161147.210055.50000116.7
624H27Very low27.8Very low164 Ų164148 Ų14876%0.75980%0.796SS**  trans60.3161.3158-60.8-59.8000121.8
625E28Very low28Very low172 Ų172148.7 Ų148.780%0.80480%0.801SS**  -173.1155.3-54.3-118.8-178136.300111.8
626G26.1Very low28.3Very low67 Ų67145.9 Ų145.969%0.69180%0.797SS**  trans88.8158.815800000118.3
627L28.5Very low28.6Very low155 Ų155143.7 Ų143.781%0.81280%0.795SS**  cis-164.6132.7-4.7-114.3173.5000111.3
628T28.8Very low29.5Very low114 Ų114141.5 Ų141.570%0.69979%0.785SS**  trans61.116015345.10000119.9
629E27.8Very low30.7Very low172 Ų172143.9 Ų143.980%0.80478%0.784SS**  cis-145171.75.3-142.1167.3-157.700114.3
630N27.5Very low32.6Very low139 Ų139141.1 Ų141.174%0.74376%0.764SS**  trans-90.8157-160.8-42.9-80.2000115.9
631R27.3Very low34.5Very low247 Ų247142.6 Ų142.693%0.93276%0.763SS**  -179.7133.8119.7-99.5166.8-174.3-177.53.1113.9
632E33.4Very low36.9Very low185 Ų185138.5 Ų138.586%0.86473%0.734SS**  trans-85.3171.7165.8-45.9175.5127.400110
633P37.1Very low39.4Very low110 Ų110133.7 Ų133.771%0.71471%0.712SS**  -145166.97340-22.5000116.9
634D28.5Very low41.5Very low163 Ų163134.7 Ų134.787%0.87272%0.718SS**  trans51.392.6150.8-60.7-31.7000120.3
635S31.8Very low43.8Very low115 Ų115134 Ų13480%0.80472%0.72SS**  trans-143125.6142.369.50000111.7D637S635-D637 PolarHBondContact O-N 3.15Å
636V34.3Very low46.3Very low139 Ų139128.6 Ų128.684%0.84270%0.696SS**  trans-44117.9-175.6-178.80000113.5E638V636-E638 PolarHBondContact O-N 3.45Å
637D34.5Very low48.9Very low160 Ų160129.7 Ų129.786%0.85669%0.686SS**  trans-70.488.4173.2-114.9-20.2000110.8S635 K639S635-D637 PolarHBondContact O-N 3.15Å; D637-K639 VanDerWaalsContact C-N 3.34Å; D637-K639 PolarHBondContact O-N 2.92Å
638E42.9Very low51.4Low132 Ų132125 Ų12562%0.61767%0.665SS**  trans-65.594164.2-82.4-160.312800109.2V636 I640 K667V636-E638 PolarHBondContact O-N 3.45Å; E638-I640 PolarHBondContact O-N 3.04Å; E638-K667 IonicContact OE1-NZ 3.45Å; E638-K667 PolarHBondContact OE1-NZ 3.11Å; E638-K667 IonicContact OE2-NZ 3.22Å; E638-K667 PolarHBondContact OE2-NZ 2.95Å
639K50.3Low53.8Low191 Ų191126.3 Ų126.383%0.8366%0.664SS**  trans-60.194.8178.7-171175-176.1175.60111.8D637 T641D637-K639 VanDerWaalsContact C-N 3.34Å; D637-K639 PolarHBondContact O-N 2.92Å; K639-T641 PolarHBondContact O-N 3.26Å; K639-T641 PolarHBondContact O-OG1 2.89Å
640I64.8Low56.3Low67 Ų67122.2 Ų122.234%0.34465%0.65SS.*  trans-57.6119.8-179.7-65.1173.4000109.1E638 F642 L663E638-I640 PolarHBondContact O-N 3.04Å; I640-F642 HydrophobicContact CB-CE2 4.29Å; I640-F642 HydrophobicContact CB-CZ 4.42Å; I640-F642 HydrophobicContact CG2-CD1 4.25Å; I640-F642 HydrophobicContact CG2-CD2 4.08Å; I640-F642 HydrophobicContact CG2-CE1 3.88Å; I640-F642 HydrophobicContact CG2-CE2 3.7Å; I640-F642 HydrophobicContact CG2-CG 4.35Å; I640-F642 HydrophobicContact CG2-CZ 3.59Å; I640-L663 HydrophobicContact CD1-CD1 3.98Å; I640-L663 HydrophobicContact CD1-CD2 4.1Å; I640-L663 HydrophobicContact CG1-CD2 4.27Å; I640-L663 HydrophobicContact CG2-CD2 3.56Å
641T67.1Low59.1Low122 Ų122115.8 Ų115.875%0.74862%0.615SS**  trans-98.7107.2173.6-54.90000108.4K639K639-T641 PolarHBondContact O-N 3.26Å; K639-T641 PolarHBondContact O-OG1 2.89Å
642F76.3Confident62Low47 Ų47110.5 Ų110.521%0.20660%0.596CS.*  trans-76.1148175.4-63.4-83.5000110.9I640 I646 P648 F651 Y652 W666I640-F642 HydrophobicContact CB-CE2 4.29Å; I640-F642 HydrophobicContact CB-CZ 4.42Å; I640-F642 HydrophobicContact CG2-CD1 4.25Å; I640-F642 HydrophobicContact CG2-CD2 4.08Å; I640-F642 HydrophobicContact CG2-CE1 3.88Å; I640-F642 HydrophobicContact CG2-CE2 3.7Å; I640-F642 HydrophobicContact CG2-CG 4.35Å; I640-F642 HydrophobicContact CG2-CZ 3.59Å; F642-I646 HydrophobicContact CD1-CG2 4.45Å; F642-P648 HydrophobicContact CD2-CB 4.25Å; F642-P648 HydrophobicContact CD2-CG 3.96Å; F642-P648 HydrophobicContact CE2-CB 3.93Å; F642-P648 HydrophobicContact CE2-CG 4.14Å; F642-P648 HydrophobicContact CG-CG 4.41Å; F642-P648 HydrophobicContact CZ-CB 4.18Å; F642-F651 HydrophobicContact CE1-CB 4.02Å; F642-F651 AromaticContact CE1-CD1 3.61Å; F642-F651 HydrophobicContact CE1-CD1 3.61Å; F642-F651 HydrophobicContact CE1-CD2 4.17Å; F642-F651 HydrophobicContact CE1-CE1 4.1Å; F642-F651 AromaticContact CE1-CG 3.65Å; F642-F651 HydrophobicContact CE1-CG 3.65Å; F642-F651 AromaticContact CZ-CD1 3.95Å; F642-F651 HydrophobicContact CZ-CD1 3.95Å; F642-F651 HydrophobicContact CZ-CE1 4.39Å; F642-F651 HydrophobicContact CZ-CG 4.4Å; F642-Y652 HydrophobicContact CZ-CE2 4.33Å; F642-W666 HydrophobicContact CD1-CH2 4.37Å; F642-W666 AromaticContact CD1-CZ3 3.71Å; F642-W666 HydrophobicContact CD1-CZ3 3.71Å; F642-W666 HydrophobicContact CE1-CZ3 4.05Å
643P78.1Confident64.3Low51 Ų51108.9 Ų108.933%0.33159%0.589SS.*  trans-55.8150.7162.3-22.734.2000111.3D645 I646 W666P643-D645 PolarHBondContact O-N 3.15Å; P643-I646 HydrophobicContact CB-CD1 4.19Å; P643-I646 HydrophobicContact CB-CG1 4.26Å; P643-I646 HydrophobicContact CG-CD1 3.89Å; P643-I646 HydrophobicContact CG-CG1 4.47Å; P643-I646 PolarHBondContact O-N 3.28Å; P643-W666 HydrophobicContact CG-CD2 4.08Å; P643-W666 HydrophobicContact CG-CG 4.21Å
644S71.1Confident66.3Low116 Ų116106.6 Ų106.681%0.81157%0.57SS**THydrogen-bonded Turntrans-56.3-24.5-177.1470000114.9
645D75.3Confident69.1Low149 Ų149103 Ų10380%0.79756%0.556SS**THydrogen-bonded Turntrans-100.59.8-167.1-50.2-7.2000111.8P643P643-D645 PolarHBondContact O-N 3.15Å
646I80.3Confident71.2Confident59 Ų59103.6 Ų103.630%0.30355%0.546SS..  trans-122.2120.7-173.2-59.9-171.6000110.7F642 P643 P648 W666F642-I646 HydrophobicContact CD1-CG2 4.45Å; P643-I646 HydrophobicContact CB-CD1 4.19Å; P643-I646 HydrophobicContact CB-CG1 4.26Å; P643-I646 HydrophobicContact CG-CD1 3.89Å; P643-I646 HydrophobicContact CG-CG1 4.47Å; P643-I646 PolarHBondContact O-N 3.28Å; I646-P648 WeakPolarHBondContact O-CD 3.36Å; I646-W666 HydrophobicContact CD1-CH2 3.71Å; I646-W666 HydrophobicContact CD1-CZ2 3.24Å; I646-W666 HydrophobicContact CG2-CH2 4.16Å
647D81.6Confident73.1Confident90 Ų90100.5 Ų100.548%0.48154%0.535SS..  trans-72.6120.1172.5-171.8-31.7000110.4Q649 V650 F651D647-Q649 PolarHBondContact O-N 3.24Å; D647-Q649 WeakPolarHBondContact OD1-CB 3.17Å; D647-Q649 PolarHBondContact OD1-N 2.73Å; D647-V650 HydrophobicContact CB-CB 4.22Å; D647-V650 HydrophobicContact CB-CG2 3.93Å; D647-V650 PolarHBondContact O-N 2.81Å; D647-F651 PolarHBondContact O-N 3.21Å; D647-F651 VanDerWaalsContact O-N 3.16Å
648P81.8Confident75.1Confident57 Ų5795.6 Ų95.637%0.3751%0.511SS..Hα-helixtrans-59.1-31.6177.7-24.335000113.6F642 I646 F651 Y652F642-P648 HydrophobicContact CD2-CB 4.25Å; F642-P648 HydrophobicContact CD2-CG 3.96Å; F642-P648 HydrophobicContact CE2-CB 3.93Å; F642-P648 HydrophobicContact CE2-CG 4.14Å; F642-P648 HydrophobicContact CG-CG 4.41Å; F642-P648 HydrophobicContact CZ-CB 4.18Å; I646-P648 WeakPolarHBondContact O-CD 3.36Å; P648-F651 WeakPolarHBondContact O-CB 3.39Å; P648-F651 PolarHBondContact O-N 3.33Å; P648-Y652 WeakPolarHBondContact O-CD2 3.44Å; P648-Y652 PolarHBondContact O-N 3.21Å; P648-Y652 VanDerWaalsContact O-N 3.15Å
649Q78.6Confident77Confident142 Ų14291 Ų9166%0.66449%0.489SS*.Hα-helixtrans-70.3-41.2-178.2-169.8163.8-16.800111.1D647 F651 Y652 E653D647-Q649 PolarHBondContact O-N 3.24Å; D647-Q649 WeakPolarHBondContact OD1-CB 3.17Å; D647-Q649 PolarHBondContact OD1-N 2.73Å; Q649-F651 VanDerWaalsContact C-N 3.3Å; Q649-F651 PolarHBondContact O-N 3.29Å; Q649-Y652 PolarHBondContact O-N 2.99Å; Q649-E653 PolarHBondContact O-N 3.21Å
650V80.2Confident78.5Confident85 Ų8588 Ų8852%0.51548%0.476SS..Hα-helixtrans-64.8-34.7172.9179.80000111.4D647 E653D647-V650 HydrophobicContact CB-CB 4.22Å; D647-V650 HydrophobicContact CB-CG2 3.93Å; D647-V650 PolarHBondContact O-N 2.81Å; V650-E653 PolarHBondContact O-N 3.18Å
651F86.6Confident79.4Confident4 Ų491.4 Ų91.42%0.01849%0.491CS..Hα-helixtrans-62.9-44.4175.8173.8-93.2000112.6F642 D647 P648 Q649 E653 L654 Q659 L662 L663 W666F642-F651 HydrophobicContact CE1-CB 4.02Å; F642-F651 AromaticContact CE1-CD1 3.61Å; F642-F651 HydrophobicContact CE1-CD1 3.61Å; F642-F651 HydrophobicContact CE1-CD2 4.17Å; F642-F651 HydrophobicContact CE1-CE1 4.1Å; F642-F651 AromaticContact CE1-CG 3.65Å; F642-F651 HydrophobicContact CE1-CG 3.65Å; F642-F651 AromaticContact CZ-CD1 3.95Å; F642-F651 HydrophobicContact CZ-CD1 3.95Å; F642-F651 HydrophobicContact CZ-CE1 4.39Å; F642-F651 HydrophobicContact CZ-CG 4.4Å; D647-F651 PolarHBondContact O-N 3.21Å; D647-F651 VanDerWaalsContact O-N 3.16Å; P648-F651 WeakPolarHBondContact O-CB 3.39Å; P648-F651 PolarHBondContact O-N 3.33Å; Q649-F651 VanDerWaalsContact C-N 3.3Å; Q649-F651 PolarHBondContact O-N 3.29Å; F651-E653 VanDerWaalsContact C-N 3.26Å; F651-E653 PolarHBondContact O-N 3.06Å; F651-L654 HydrophobicContact CD2-CD1 4.32Å; F651-L654 WeakPolarHBondContact O-CB 3.36Å; F651-L654 WeakPolarHBondContact O-CG 3.3Å; F651-L654 PolarHBondContact O-N 3.4Å; F651-L654 VanDerWaalsContact O-N 3.14Å; F651-Q659 HydrophobicContact CD1-CG 4.45Å; F651-Q659 HydrophobicContact CE1-CB 4.02Å; F651-Q659 HydrophobicContact CE1-CG 3.92Å; F651-Q659 HydrophobicContact CE2-CB 4.07Å; F651-Q659 HydrophobicContact CE2-CG 4.2Å; F651-Q659 HydrophobicContact CZ-CB 3.5Å; F651-Q659 HydrophobicContact CZ-CG 3.78Å; F651-L662 HydrophobicContact CD2-CD1 4.34Å; F651-L662 HydrophobicContact CE2-CB 4.17Å; F651-L662 HydrophobicContact CE2-CD1 4.25Å; F651-L663 HydrophobicContact CE1-CD1 4.35Å; F651-L663 HydrophobicContact CE2-CG 4.28Å; F651-L663 HydrophobicContact CZ-CD1 3.75Å; F651-L663 HydrophobicContact CZ-CD2 4.12Å; F651-L663 HydrophobicContact CZ-CG 3.69Å; F651-W666 AromaticContact CD2-CH2 3.61Å; F651-W666 HydrophobicContact CD2-CH2 3.61Å; F651-W666 AromaticContact CD2-CZ3 3.93Å; F651-W666 HydrophobicContact CD2-CZ3 3.93Å; F651-W666 AromaticContact CE2-CH2 3.78Å; F651-W666 HydrophobicContact CE2-CH2 3.78Å; F651-W666 AromaticContact CE2-CZ3 3.81Å; F651-W666 HydrophobicContact CE2-CZ3 3.81Å
652Y86.8Confident80.1Confident136 Ų13687.6 Ų87.653%0.53347%0.465SS..Hα-helixtrans-71.7-16.5-179.5-71.2-62.9000114.1F642 P648 Q649 L654 Q659F642-Y652 HydrophobicContact CZ-CE2 4.33Å; P648-Y652 WeakPolarHBondContact O-CD2 3.44Å; P648-Y652 PolarHBondContact O-N 3.21Å; P648-Y652 VanDerWaalsContact O-N 3.15Å; Q649-Y652 PolarHBondContact O-N 2.99Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; Y652-Q659 PolarHBondContact O-NE2 3.01Å; Y652-Q659 VanDerWaalsContact O-NE2 3.16Å
653E82.5Confident80.4Confident151 Ų15187.2 Ų87.271%0.70647%0.465SS*.THydrogen-bonded Turntrans-76.1-13.6170.5-70.2-178.3-174.500113.5Q649 V650 F651Q649-E653 PolarHBondContact O-N 3.21Å; V650-E653 PolarHBondContact O-N 3.18Å; F651-E653 VanDerWaalsContact C-N 3.26Å; F651-E653 PolarHBondContact O-N 3.06Å
654L79.2Confident80.3Confident62 Ų6287 Ų8733%0.32547%0.468SS..SBendtrans-73.2151.9177.3-61174.7000112F651 Y652 V658 Q659 L662F651-L654 HydrophobicContact CD2-CD1 4.32Å; F651-L654 WeakPolarHBondContact O-CB 3.36Å; F651-L654 WeakPolarHBondContact O-CG 3.3Å; F651-L654 PolarHBondContact O-N 3.4Å; F651-L654 VanDerWaalsContact O-N 3.14Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; L654-V658 HydrophobicContact CB-CB 4.48Å; L654-V658 HydrophobicContact CD1-CG1 4.22Å; L654-Q659 HydrophobicContact CB-CG 4.01Å; L654-Q659 PolarHBondContact O-NE2 2.91Å; L654-L662 HydrophobicContact CD1-CD1 3.66Å
655P86.8Confident80.7Confident88 Ų8886.6 Ų86.657%0.57145%0.453SS*.  trans-59.7140.8171.8-21.733000112.1A657 V658 Q659P655-A657 PolarHBondContact O-N 3.43Å; P655-V658 HydrophobicContact CB-CG2 4.41Å; P655-V658 HydrophobicContact CG-CG2 4.47Å; P655-V658 WeakPolarHBondContact O-CA 3.33Å; P655-V658 WeakPolarHBondContact O-CB 3.29Å; P655-V658 PolarHBondContact O-N 3.5Å; P655-Q659 PolarHBondContact O-N 2.75Å; P655-Q659 VanDerWaalsContact O-N 3.09Å
656E75.7Confident80.9Confident128 Ų12882 Ų8260%0.59843%0.425SS*.Hα-helixtrans-47.2-38.1-177.3-83-166-153.100114.9V658 Q659 K660E656-V658 VanDerWaalsContact C-N 3.31Å; E656-V658 PolarHBondContact O-N 3.02Å; E656-Q659 PolarHBondContact O-N 3.39Å; E656-K660 WeakPolarHBondContact O-CB 3.3Å; E656-K660 WeakPolarHBondContact O-CD 3.07Å; E656-K660 VanDerWaalsContact O-CG 3.32Å; E656-K660 WeakPolarHBondContact O-CG 3.49Å; E656-K660 PolarHBondContact O-N 3.34Å; E656-K660 IonicContact OE2-NZ 3.33Å; E656-K660 PolarHBondContact OE2-NZ 3.41Å
657A75Confident80.4Confident73 Ų7385.7 Ų85.760%0.60344%0.438SS*.Hα-helixtrans-62.4-39.7179.600000111.8P655 E661P655-A657 PolarHBondContact O-N 3.43Å; A657-E661 WeakPolarHBondContact O-CB 3.5Å; A657-E661 PolarHBondContact O-N 3.11Å
658V75.6Confident79.8Confident58 Ų5890.5 Ų90.535%0.35245%0.45SS..Hα-helixtrans-73.3-40.8177.1-174.50000110.4L654 P655 E656 K660 E661 L662L654-V658 HydrophobicContact CB-CB 4.48Å; L654-V658 HydrophobicContact CD1-CG1 4.22Å; P655-V658 HydrophobicContact CB-CG2 4.41Å; P655-V658 HydrophobicContact CG-CG2 4.47Å; P655-V658 WeakPolarHBondContact O-CA 3.33Å; P655-V658 WeakPolarHBondContact O-CB 3.29Å; P655-V658 PolarHBondContact O-N 3.5Å; E656-V658 VanDerWaalsContact C-N 3.31Å; E656-V658 PolarHBondContact O-N 3.02Å; V658-K660 VanDerWaalsContact C-N 3.32Å; V658-K660 PolarHBondContact O-N 3.15Å; V658-E661 PolarHBondContact O-N 3.23Å; V658-L662 HydrophobicContact CG1-CD1 4.02Å; V658-L662 HydrophobicContact CG1-CG 4.35Å; V658-L662 WeakPolarHBondContact O-CB 3.43Å; V658-L662 WeakPolarHBondContact O-CG 3.47Å; V658-L662 PolarHBondContact O-N 3.35Å
659Q84.6Confident78.8Confident34 Ų3491.6 Ų91.616%0.15946%0.464CS..Hα-helixtrans-56.4-46.8173.1-66.9-173.423.600111.4F651 Y652 L654 P655 E656 L663F651-Q659 HydrophobicContact CD1-CG 4.45Å; F651-Q659 HydrophobicContact CE1-CB 4.02Å; F651-Q659 HydrophobicContact CE1-CG 3.92Å; F651-Q659 HydrophobicContact CE2-CB 4.07Å; F651-Q659 HydrophobicContact CE2-CG 4.2Å; F651-Q659 HydrophobicContact CZ-CB 3.5Å; F651-Q659 HydrophobicContact CZ-CG 3.78Å; Y652-Q659 PolarHBondContact O-NE2 3.01Å; Y652-Q659 VanDerWaalsContact O-NE2 3.16Å; L654-Q659 HydrophobicContact CB-CG 4.01Å; L654-Q659 PolarHBondContact O-NE2 2.91Å; P655-Q659 PolarHBondContact O-N 2.75Å; P655-Q659 VanDerWaalsContact O-N 3.09Å; E656-Q659 PolarHBondContact O-N 3.39Å; Q659-L663 WeakPolarHBondContact O-CB 3.49Å; Q659-L663 VanDerWaalsContact O-CG 3.26Å; Q659-L663 WeakPolarHBondContact O-CG 3.25Å; Q659-L663 PolarHBondContact O-N 2.92Å
660K80.8Confident77.3Confident129 Ų12987.3 Ų87.356%0.56146%0.458SS*.Hα-helixtrans-67.3-36.6179.2-74.3163.5178.8165.80112.6E656 V658 A664E656-K660 WeakPolarHBondContact O-CB 3.3Å; E656-K660 WeakPolarHBondContact O-CD 3.07Å; E656-K660 VanDerWaalsContact O-CG 3.32Å; E656-K660 WeakPolarHBondContact O-CG 3.49Å; E656-K660 PolarHBondContact O-N 3.34Å; E656-K660 IonicContact OE2-NZ 3.33Å; E656-K660 PolarHBondContact OE2-NZ 3.41Å; V658-K660 VanDerWaalsContact C-N 3.32Å; V658-K660 PolarHBondContact O-N 3.15Å; K660-A664 VanDerWaalsContact O-CB 3.27Å; K660-A664 WeakPolarHBondContact O-CB 3.3Å; K660-A664 PolarHBondContact O-N 3.16Å; K660-A664 VanDerWaalsContact O-N 3.1Å
661E83.6Confident75.3Confident139 Ų13988.9 Ų88.965%0.6547%0.472SS*.Hα-helixtrans-67.4-47.9175.6-172.6162.9-152.100111.8A657 V658 A664 E665A657-E661 WeakPolarHBondContact O-CB 3.5Å; A657-E661 PolarHBondContact O-N 3.11Å; V658-E661 PolarHBondContact O-N 3.23Å; E661-A664 CarbonylContact O-C 3.53Å; E661-A664 PolarHBondContact O-N 2.99Å; E661-E665 PolarHBondContact O-N 3.01Å
662L81.8Confident72.8Confident42 Ų4296 Ų9622%0.2251%0.511CS..Hα-helixtrans-61.5-44.4177-73172.3000112.5F651 L654 V658 A664 E665 W666F651-L662 HydrophobicContact CD2-CD1 4.34Å; F651-L662 HydrophobicContact CE2-CB 4.17Å; F651-L662 HydrophobicContact CE2-CD1 4.25Å; L654-L662 HydrophobicContact CD1-CD1 3.66Å; V658-L662 HydrophobicContact CG1-CD1 4.02Å; V658-L662 HydrophobicContact CG1-CG 4.35Å; V658-L662 WeakPolarHBondContact O-CB 3.43Å; V658-L662 WeakPolarHBondContact O-CG 3.47Å; V658-L662 PolarHBondContact O-N 3.35Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 2.82Å; L662-E665 WeakPolarHBondContact O-CB 3.29Å; L662-E665 PolarHBondContact O-N 3.34Å; L662-E665 VanDerWaalsContact O-N 3.08Å; L662-W666 HydrophobicContact CB-CH2 4.07Å; L662-W666 HydrophobicContact CB-CZ2 3.82Å; L662-W666 HydrophobicContact CD1-CH2 4.37Å; L662-W666 HydrophobicContact CD1-CZ2 4.19Å; L662-W666 HydrophobicContact CD2-CZ2 4.05Å; L662-W666 HydrophobicContact CG-CZ2 4.25Å; L662-W666 VanDerWaalsContact O-CG 3.31Å; L662-W666 PolarHBondContact O-N 3.47Å
663L82.1Confident70.1Confident38 Ų3899.2 Ų99.220%0.19953%0.528CS..Hα-helixtrans-63.3-36.5175.4-70.5169000112.1I640 F651 Q659 E665 W666 K667I640-L663 HydrophobicContact CD1-CD1 3.98Å; I640-L663 HydrophobicContact CD1-CD2 4.1Å; I640-L663 HydrophobicContact CG1-CD2 4.27Å; I640-L663 HydrophobicContact CG2-CD2 3.56Å; F651-L663 HydrophobicContact CE1-CD1 4.35Å; F651-L663 HydrophobicContact CE2-CG 4.28Å; F651-L663 HydrophobicContact CZ-CD1 3.75Å; F651-L663 HydrophobicContact CZ-CD2 4.12Å; F651-L663 HydrophobicContact CZ-CG 3.69Å; Q659-L663 WeakPolarHBondContact O-CB 3.49Å; Q659-L663 VanDerWaalsContact O-CG 3.26Å; Q659-L663 WeakPolarHBondContact O-CG 3.25Å; Q659-L663 PolarHBondContact O-N 2.92Å; L663-E665 VanDerWaalsContact C-N 3.27Å; L663-E665 PolarHBondContact O-N 3.24Å; L663-W666 HydrophobicContact CD2-CE3 4.09Å; L663-W666 HydrophobicContact CD2-CZ3 4.23Å; L663-K667 WeakPolarHBondContact O-CB 3.48Å; L663-K667 WeakPolarHBondContact O-CG 3.43Å; L663-K667 PolarHBondContact O-N 3.48Å
664A75.5Confident67.5Low47 Ų47101 Ų10139%0.38854%0.536SS..Hα-helixtrans-74.8-13.7175.100000113.7K660 E661 L662 R668K660-A664 VanDerWaalsContact O-CB 3.27Å; K660-A664 WeakPolarHBondContact O-CB 3.3Å; K660-A664 PolarHBondContact O-N 3.16Å; K660-A664 VanDerWaalsContact O-N 3.1Å; E661-A664 CarbonylContact O-C 3.53Å; E661-A664 PolarHBondContact O-N 2.99Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 2.82Å; A664-R668 PolarHBondContact O-NE 2.82Å; A664-R668 PolarHBondContact O-NH2 2.91Å
665E80.1Confident65.2Low108 Ų108104.8 Ų104.851%0.50556%0.555SS.*Hα-helixtrans-88-47.4170.1-174.4165.9-137.900111.1E661 L662 L663 K667 R668 A669E661-E665 PolarHBondContact O-N 3.01Å; L662-E665 WeakPolarHBondContact O-CB 3.29Å; L662-E665 PolarHBondContact O-N 3.34Å; L662-E665 VanDerWaalsContact O-N 3.08Å; L663-E665 VanDerWaalsContact C-N 3.27Å; L663-E665 PolarHBondContact O-N 3.24Å; E665-K667 PolarHBondContact O-N 2.98Å; E665-R668 CarbonylContact O-C 3.53Å; E665-R668 WeakPolarHBondContact O-CA 3.33Å; E665-R668 VanDerWaalsContact O-CB 3.24Å; E665-R668 WeakPolarHBondContact O-CB 3.3Å; E665-R668 PolarHBondContact O-N 3.04Å; E665-A669 PolarHBondContact O-N 3.26Å
666W80.2Confident62.6Low53 Ų53104.1 Ų104.120%0.20157%0.565CS.*Hα-helixtrans-66.3-38178.4-55.1-24000112.7F642 P643 I646 F651 L662 L663 R668 A669 G670F642-W666 HydrophobicContact CD1-CH2 4.37Å; F642-W666 AromaticContact CD1-CZ3 3.71Å; F642-W666 HydrophobicContact CD1-CZ3 3.71Å; F642-W666 HydrophobicContact CE1-CZ3 4.05Å; P643-W666 HydrophobicContact CG-CD2 4.08Å; P643-W666 HydrophobicContact CG-CG 4.21Å; I646-W666 HydrophobicContact CD1-CH2 3.71Å; I646-W666 HydrophobicContact CD1-CZ2 3.24Å; I646-W666 HydrophobicContact CG2-CH2 4.16Å; F651-W666 AromaticContact CD2-CH2 3.61Å; F651-W666 HydrophobicContact CD2-CH2 3.61Å; F651-W666 AromaticContact CD2-CZ3 3.93Å; F651-W666 HydrophobicContact CD2-CZ3 3.93Å; F651-W666 AromaticContact CE2-CH2 3.78Å; F651-W666 HydrophobicContact CE2-CH2 3.78Å; F651-W666 AromaticContact CE2-CZ3 3.81Å; F651-W666 HydrophobicContact CE2-CZ3 3.81Å; L662-W666 HydrophobicContact CB-CH2 4.07Å; L662-W666 HydrophobicContact CB-CZ2 3.82Å; L662-W666 HydrophobicContact CD1-CH2 4.37Å; L662-W666 HydrophobicContact CD1-CZ2 4.19Å; L662-W666 HydrophobicContact CD2-CZ2 4.05Å; L662-W666 HydrophobicContact CG-CZ2 4.25Å; L662-W666 VanDerWaalsContact O-CG 3.31Å; L662-W666 PolarHBondContact O-N 3.47Å; L663-W666 HydrophobicContact CD2-CE3 4.09Å; L663-W666 HydrophobicContact CD2-CZ3 4.23Å; W666-R668 PolarHBondContact O-N 3.26Å; W666-R668 VanDerWaalsContact O-N 3.16Å; W666-A669 PolarHBondContact O-N 3.41Å; W666-G670 PolarHBondContact O-N 3.27Å
667K69.1Low60.5Low135 Ų135106.2 Ų106.259%0.58757%0.574SS**THydrogen-bonded Turntrans-62-17.9169-75.6-168.2-177.6-173.40113.3E638 L663 E665E638-K667 IonicContact OE1-NZ 3.45Å; E638-K667 PolarHBondContact OE1-NZ 3.11Å; E638-K667 IonicContact OE2-NZ 3.22Å; E638-K667 PolarHBondContact OE2-NZ 2.95Å; L663-K667 WeakPolarHBondContact O-CB 3.48Å; L663-K667 WeakPolarHBondContact O-CG 3.43Å; L663-K667 PolarHBondContact O-N 3.48Å; E665-K667 PolarHBondContact O-N 2.98Å
668R68.3Low58.5Low191 Ų191116.4 Ų116.472%0.72161%0.605SS**THydrogen-bonded Turntrans-96-19.8178.1-156.6-174.4-48.4153.614.6113A664 E665 W666A664-R668 PolarHBondContact O-NE 2.82Å; A664-R668 PolarHBondContact O-NH2 2.91Å; E665-R668 CarbonylContact O-C 3.53Å; E665-R668 WeakPolarHBondContact O-CA 3.33Å; E665-R668 VanDerWaalsContact O-CB 3.24Å; E665-R668 WeakPolarHBondContact O-CB 3.3Å; E665-R668 PolarHBondContact O-N 3.04Å; W666-R668 PolarHBondContact O-N 3.26Å; W666-R668 VanDerWaalsContact O-N 3.16Å
669A61.9Low57.6Low80 Ų80119.4 Ų119.466%0.66162%0.617SS**SBendtrans-9616.6176.500000113.1E665 W666 S671E665-A669 PolarHBondContact O-N 3.26Å; W666-A669 PolarHBondContact O-N 3.41Å; A669-S671 PolarHBondContact O-N 3.17Å
670G46.5Very low56.2Low53 Ų53123.8 Ų123.855%0.54664%0.641SS.*  trans-63.8126.4-174.200000113.8W666W666-G670 PolarHBondContact O-N 3.27Å
671S39.3Very low54.9Low117 Ų117123.6 Ų123.682%0.81865%0.646SS**  trans5498.8166.757.90000118A669A669-S671 PolarHBondContact O-N 3.17Å
672D32.6Very low53.2Low155 Ų155122.6 Ų122.683%0.82965%0.646SS**  -152.998.2125.9-121.5-21.4000111.1
673F30.5Very low51.4Low202 Ų202127.7 Ų127.789%0.88667%0.672SS**  trans-128.8125.4168.9-98.9-82.1000107.9I675F673-I675 PolarHBondContact O-N 2.78Å
674H27.7Very low49.3Very low189 Ų189133.7 Ų133.788%0.87570%0.704SS**  trans-67.9122.4-179.9-89.6-7.6000112.1G676H674-G676 PolarHBondContact O-N 3.39Å
675I30.5Very low47.5Very low141 Ų141139.9 Ų139.972%0.72373%0.726SS**  trans-75.5115167.3-62.2170.1000108.3F673F673-I675 PolarHBondContact O-N 2.78Å
676G33.3Very low44.9Very low75 Ų75142.3 Ų142.377%0.77374%0.743SS**  trans-77.7123.8165.200000110.6H674H674-G676 PolarHBondContact O-N 3.39Å
677H31.8Very low42Very low171 Ų171149.8 Ų149.879%0.79279%0.789SS**  trans-128.7114.7174.9-100.2-32.8000111.7
678K32.6Very low39.5Very low288 Ų288151.1 Ų151.1100%1.25281%0.807SS**  trans710-177.3-65.3-172.7174.8-178.20115.7

Retrieved 678 of 678 residues in 446.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).