A0A087Y3Z9_POEFO Loading...

ERI1 exoribonuclease 2

AlphaFold DB , UniProt , Accession A0A087Y3Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 688 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.3Low74.3Confident227 Ų227128.9 Ų128.9100%1.11866%0.655SS**  0-56.40-77-59-168.400114.2T3M1-T3 PolarHBondContact O-N 2.85Å
2A73Confident74.4Confident79 Ų79129.2 Ų129.265%0.65366%0.658SS**Hα-helixtrans-56.4-48-164.600000116.6R4 K5 L6A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.34Å; A2-K5 WeakPolarHBondContact O-CB 3.49Å; A2-K5 PolarHBondContact O-N 2.79Å; A2-L6 PolarHBondContact O-N 3.14Å; A2-L6 VanDerWaalsContact O-N 3.16Å
3T75.8Confident73.2Confident114 Ų114125.3 Ų125.370%0.69964%0.639SS**Hα-helixtrans-55.8-41.7-167.8-20.50000113.6M1 K5 L6 A7M1-T3 PolarHBondContact O-N 2.85Å; T3-K5 VanDerWaalsContact C-N 3.3Å; T3-K5 PolarHBondContact O-N 3.44Å; T3-L6 PolarHBondContact O-N 2.76Å; T3-A7 WeakPolarHBondContact O-CB 3.48Å; T3-A7 PolarHBondContact O-N 2.99Å
4R75.6Confident73.1Confident192 Ų192131.1 Ų131.173%0.72565%0.649SS**Hα-helixtrans-66.2-30.7179.4-166.5-179.8-173.1-169.33.9112.7A2 K8 L13A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.34Å; R4-K8 PolarHBondContact O-N 3.29Å; R4-L13 HydrophobicContact CG-CD1 3.97Å
5K77.2Confident71.5Confident174 Ų174131.7 Ų131.776%0.75765%0.649SS**Hα-helixtrans-77.5-38.6178.5-155.7174.2-174.7-179.80110.8A2 T3 R9A2-K5 WeakPolarHBondContact O-CB 3.49Å; A2-K5 PolarHBondContact O-N 2.79Å; T3-K5 VanDerWaalsContact C-N 3.3Å; T3-K5 PolarHBondContact O-N 3.44Å; K5-R9 PolarHBondContact O-N 3.39Å; K5-R9 VanDerWaalsContact O-N 3.13Å
6L79.8Confident70Confident102 Ų102137.9 Ų137.953%0.53466%0.663SS.*Hα-helixtrans-64.1-50172.2-177.961.8000111.6A2 T3 K8 R9 L10A2-L6 PolarHBondContact O-N 3.14Å; A2-L6 VanDerWaalsContact O-N 3.16Å; T3-L6 PolarHBondContact O-N 2.76Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.36Å; L6-R9 WeakPolarHBondContact O-CA 3.18Å; L6-R9 PolarHBondContact O-N 3.47Å; L6-L10 HydrophobicContact CD1-CD1 3.96Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.88Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 2.69Å
7A77.3Confident68.6Low23 Ų23135.6 Ų135.619%0.1967%0.665CS.*Hα-helixtrans-65.1-28.3-179.400000113.5T3 L12 L13T3-A7 WeakPolarHBondContact O-CB 3.48Å; T3-A7 PolarHBondContact O-N 2.99Å; A7-L12 HydrophobicContact CB-CB 4.43Å; A7-L12 PolarHBondContact O-N 2.68Å; A7-L13 HydrophobicContact CB-CD1 3.72Å; A7-L13 HydrophobicContact CB-CG 3.78Å; A7-L13 PolarHBondContact O-N 3.18Å; A7-L13 VanDerWaalsContact O-N 3.13Å
8K76.9Confident67.2Low107 Ų107138.6 Ų138.647%0.46568%0.677SS.*Hα-helixtrans-66.1-46.5165.1-84.7-157.6177.6-163.30112.3R4 L6 L10 G11 L13R4-K8 PolarHBondContact O-N 3.29Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.36Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 3.44Å; K8-G11 PolarHBondContact O-N 2.72Å; K8-G11 VanDerWaalsContact O-N 3.13Å; K8-L13 HydrophobicContact CG-CB 4.15Å; K8-L13 HydrophobicContact CG-CD1 4.23Å
9R79.1Confident65.9Low231 Ų231137.1 Ų137.187%0.87268%0.682SS**Hα-helixtrans-66.8-28-177.6-164.3176.8-172.3179.42.8113.1K5 L6 G11K5-R9 PolarHBondContact O-N 3.39Å; K5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 WeakPolarHBondContact O-CA 3.18Å; L6-R9 PolarHBondContact O-N 3.47Å; R9-G11 VanDerWaalsContact C-N 3.33Å
10L80Confident64.6Low109 Ų109134.1 Ų134.157%0.57168%0.679SS**THydrogen-bonded Turntrans-86.45.8174.6-63.3175.9000113.8L6 K8 L12L6-L10 HydrophobicContact CD1-CD1 3.96Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CG-CD1 3.88Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 2.69Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 3.44Å; L10-L12 HydrophobicContact CB-CD1 4.02Å; L10-L12 HydrophobicContact CB-CG 3.94Å; L10-L12 HydrophobicContact CD1-CD1 4.17Å; L10-L12 PolarHBondContact O-N 3.19Å
11G67.8Low63.8Low60 Ų60133.8 Ų133.862%0.61969%0.69SS**THydrogen-bonded Turntrans71.8-6.4-178.300000115.7K8 R9 L13K8-G11 PolarHBondContact O-N 2.72Å; K8-G11 VanDerWaalsContact O-N 3.13Å; R9-G11 VanDerWaalsContact C-N 3.33Å; G11-L13 PolarHBondContact O-N 3.09Å
12L75.1Confident63.4Low132 Ų132126.8 Ų126.869%0.69168%0.676SS**  trans-65.5-18.7-177.1-58175.5000113.8A7 L10A7-L12 HydrophobicContact CB-CB 4.43Å; A7-L12 PolarHBondContact O-N 2.68Å; L10-L12 HydrophobicContact CB-CD1 4.02Å; L10-L12 HydrophobicContact CB-CG 3.94Å; L10-L12 HydrophobicContact CD1-CD1 4.17Å; L10-L12 PolarHBondContact O-N 3.19Å
13L59.3Low62.1Low79 Ų79130.3 Ų130.341%0.41468%0.683SS.*SBendtrans-109.390.2172.3-69.4177.2000111R4 A7 K8 G11 Q15R4-L13 HydrophobicContact CG-CD1 3.97Å; A7-L13 HydrophobicContact CB-CD1 3.72Å; A7-L13 HydrophobicContact CB-CG 3.78Å; A7-L13 PolarHBondContact O-N 3.18Å; A7-L13 VanDerWaalsContact O-N 3.13Å; K8-L13 HydrophobicContact CG-CB 4.15Å; K8-L13 HydrophobicContact CG-CD1 4.23Å; G11-L13 PolarHBondContact O-N 3.09Å; L13-Q15 PolarHBondContact O-N 3.35Å; L13-Q15 VanDerWaalsContact O-N 3.12Å
14R71Confident60.7Low207 Ų207134.6 Ų134.678%0.78169%0.692SS**  trans-60.9113.5167.7-155.3177.4-167.2-171.14.4108R16R14-R16 PolarHBondContact O-N 3.03Å
15Q49.8Very low59.5Low140 Ų140131.9 Ų131.965%0.65469%0.685SS**  trans-66.4117.9-178.9178.5162.1-52.300109.2L13 S17L13-Q15 PolarHBondContact O-N 3.35Å; L13-Q15 VanDerWaalsContact O-N 3.12Å; Q15-S17 PolarHBondContact O-N 3.14Å
16R46.9Very low58.5Low231 Ų231128.3 Ų128.387%0.87268%0.682SS**  trans-57106.4167.8-175176.4-175170.42.9107.2R14 Q18R14-R16 PolarHBondContact O-N 3.03Å; R16-Q18 PolarHBondContact O-N 3.04Å
17S45.8Very low57.4Low98 Ų98128.3 Ų128.369%0.68569%0.686SS**  trans-58.7122.1166.534.50000107Q15 S19Q15-S17 PolarHBondContact O-N 3.14Å; S17-S19 PolarHBondContact O-N 3.1Å; S17-S19 VanDerWaalsContact O-N 3.11Å
18Q44.2Very low56.8Low189 Ų189127.8 Ų127.888%0.88368%0.68SS**  trans-63.4114.2162-74.4177-2800105.5R16 A20R16-Q18 PolarHBondContact O-N 3.04Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.44Å
19S42.2Very low56.1Low111 Ų111126.3 Ų126.378%0.77668%0.683SS**  trans-70.193.1-177.151.20000109S17 S21S17-S19 PolarHBondContact O-N 3.1Å; S17-S19 VanDerWaalsContact O-N 3.11Å; S19-S21 PolarHBondContact O-N 3.2Å
20A39.8Very low56.2Low76 Ų76121.7 Ų121.763%0.62868%0.676SS**  trans-51.7131.4161.800000108.2Q18 G22Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-A20 PolarHBondContact O-N 3.44Å; A20-G22 PolarHBondContact O-N 3.41Å; A20-G22 VanDerWaalsContact O-N 3.14Å
21S47.4Very low56.9Low129 Ų129118.1 Ų118.190%0.90266%0.656SS**SBendtrans-61.2114.8-176.149.40000110.6S19S19-S21 PolarHBondContact O-N 3.2Å
22G48.7Very low58Low80 Ų80119.2 Ų119.283%0.82565%0.647SS**  trans112.955.2174.800000115.9A20A20-G22 PolarHBondContact O-N 3.41Å; A20-G22 VanDerWaalsContact O-N 3.14Å
23L44.3Very low59Low152 Ų152113.4 Ų113.480%0.79662%0.616SS**PPolyproline II helixtrans-96.8131.3150.3-80.293000109.4K25L23-K25 PolarHBondContact O-N 3.05Å
24K46.3Very low60.7Low204 Ų204111.5 Ų111.589%0.88761%0.61SS**PPolyproline II helixtrans-54.8134.5169.5-60.5176.3-178.4178.80108.1S26K24-S26 PolarHBondContact O-N 2.98Å
25K50.8Low61.9Low136 Ų136102.4 Ų102.459%0.59158%0.575SS**PPolyproline II helixtrans-53.9117.1171.6-70.2-175.3-177.9-178.50107.3L23 V27 E70L23-K25 PolarHBondContact O-N 3.05Å; K25-V27 PolarHBondContact O-N 3.48Å; K25-V27 VanDerWaalsContact O-N 3.13Å; K25-E70 VanDerWaalsContact NZ-CD 3.26Å; K25-E70 IonicContact NZ-OE1 3.74Å; K25-E70 PolarHBondContact NZ-OE1 3.05Å; K25-E70 IonicContact NZ-OE2 3.22Å
26S55.5Low64.2Low98 Ų9895.8 Ų95.869%0.68554%0.544SS*.PPolyproline II helixtrans-59.4120.5173.7-173.30000107.1K24 I28K24-S26 PolarHBondContact O-N 2.98Å; S26-I28 PolarHBondContact O-N 2.95Å
27V57Low66.7Low103 Ų10384.8 Ų84.862%0.62450%0.503SS*.PPolyproline II helixtrans-57129.1178.7-178.60000107.5K25 S29K25-V27 PolarHBondContact O-N 3.48Å; K25-V27 VanDerWaalsContact O-N 3.13Å; V27-S29 PolarHBondContact O-N 3.04Å
28I65.1Low69.2Low11 Ų1180.1 Ų80.16%0.05647%0.47CS..  trans-84.266178.3-52.7174.1000107.1S26 Q31 T66 S67 V227 M230 R231S26-I28 PolarHBondContact O-N 2.95Å; I28-Q31 HydrophobicContact CG2-CG 4.15Å; I28-T66 WeakPolarHBondContact CB-O 3.43Å; I28-T66 WeakPolarHBondContact CD1-O 3.45Å; I28-T66 WeakPolarHBondContact CG2-O 3.26Å; I28-S67 PolarHBondContact N-O 3.34Å; I28-V227 HydrophobicContact CD1-CG1 4.08Å; I28-M230 HydrophobicContact CG2-CB 3.54Å; I28-M230 HydrophobicContact CG2-SD 4.43Å; I28-R231 HydrophobicContact CD1-CG 3.97Å; I28-R231 HydrophobicContact CG1-CG 3.97Å
29S62.8Low71.8Confident76 Ų7671.1 Ų71.153%0.53143%0.428SS..  trans-75.9160.3176.946.60000111.2V27V27-S29 PolarHBondContact O-N 3.04Å
30N81.6Confident74.5Confident135 Ų13566.7 Ų66.772%0.72240%0.396SS*.SBendtrans79.816.5178.3-44.8-20.6000116.6
31Q93Very high77.3Confident34 Ų3463.3 Ų63.316%0.15937%0.367CS..  trans-84.4143.8167.4-60.3-58.7-35.600111.5I28 M230 C234I28-Q31 HydrophobicContact CG2-CG 4.15Å; Q31-M230 VanDerWaalsContact CD-CG 3.49Å; Q31-M230 VanDerWaalsContact CD-SD 3.54Å; Q31-M230 HydrophobicContact CG-CB 4.43Å; Q31-M230 HydrophobicContact CG-CG 4.11Å; Q31-M230 HydrophobicContact CG-SD 3.57Å; Q31-M230 VanDerWaalsContact CG-SD 3.57Å; Q31-C234 PolarHBondContact NE2-O 3.14Å
32I92.3Very high79.8Confident82 Ų8258.1 Ų58.142%0.42133%0.329SS..SBendtrans-73.7-36.7179.8-64.7164.1000111V235 K237I32-V235 HydrophobicContact CD1-CG1 3.94Å; I32-V235 HydrophobicContact CG1-CG1 4.05Å; I32-K237 HydrophobicContact CD1-CD 4.44Å; I32-K237 HydrophobicContact CD1-CG 3.71Å
33F94.9Very high82.1Confident11 Ų1154.6 Ų54.65%0.04829%0.291CS..  trans-99.9135.5179.4-50.6-80.5000109.5Y35 L36 T66 P131 L146 T148 I180F33-Y35 VanDerWaalsContact C-N 3.34Å; F33-Y35 WeakPolarHBondContact CB-O 3.31Å; F33-L36 HydrophobicContact CB-CD2 4.1Å; F33-L36 HydrophobicContact CD2-CD2 4.21Å; F33-L36 HydrophobicContact CG-CD2 4.32Å; F33-T66 WeakPolarHBondContact O-CB 3.25Å; F33-T66 VanDerWaalsContact O-CG2 3.25Å; F33-T66 WeakPolarHBondContact O-CG2 3.19Å; F33-T66 PolarHBondContact O-OG1 2.79Å; F33-P131 HydrophobicContact CE1-CG 4.14Å; F33-L146 CarbonylContact C-O 3.57Å; F33-L146 WeakPolarHBondContact CA-O 3.48Å; F33-L146 HydrophobicContact CD1-CB 4.14Å; F33-T148 HydrophobicContact CD1-CG2 3.65Å; F33-T148 HydrophobicContact CD2-CG2 3.64Å; F33-T148 HydrophobicContact CE1-CG2 3.64Å; F33-T148 HydrophobicContact CE2-CG2 3.63Å; F33-T148 HydrophobicContact CG-CG2 3.66Å; F33-T148 HydrophobicContact CZ-CG2 3.63Å; F33-I180 HydrophobicContact CD2-CD1 4.33Å; F33-I180 HydrophobicContact CE2-CD1 4.06Å
34S95.2Very high84.6Confident39 Ų3947.5 Ų47.527%0.27325%0.254SS..SBendtrans-77.2-25.3170.3-49.10000111.9T66 K145 L146S34-T66 WeakPolarHBondContact CA-OG1 3.38Å; S34-T66 PolarHBondContact O-N 2.82Å; S34-T66 PolarHBondContact O-OG1 3.12Å; S34-T66 VanDerWaalsContact O-OG1 3.12Å; S34-K145 WeakPolarHBondContact OG-CA 3.2Å; S34-L146 PolarHBondContact N-O 2.82Å
35Y96.8Very high87Confident15 Ų1538.5 Ų38.56%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-136.2151.8178.9-69.7-89000111.9F33 L63 L64 N65 E72 K126 V128 K145 L146 C147F33-Y35 VanDerWaalsContact C-N 3.34Å; F33-Y35 WeakPolarHBondContact CB-O 3.31Å; Y35-L63 HydrophobicContact CD1-CD1 3.73Å; Y35-L63 HydrophobicContact CD1-CD2 4Å; Y35-L63 HydrophobicContact CD1-CG 3.79Å; Y35-L63 HydrophobicContact CE1-CD2 4.19Å; Y35-L63 HydrophobicContact CE1-CG 4.4Å; Y35-L63 HydrophobicContact CG-CD1 4.12Å; Y35-L64 CarbonylContact C-O 3.56Å; Y35-L64 VanDerWaalsContact CA-O 3.3Å; Y35-L64 WeakPolarHBondContact CA-O 3.3Å; Y35-N65 HydrophobicContact CD1-CB 4.12Å; Y35-N65 HydrophobicContact CE1-CB 3.73Å; Y35-E72 PolarHBondContact OH-OE2 3.23Å; Y35-K126 HydrophobicContact CE1-CD 4.36Å; Y35-V128 HydrophobicContact CD2-CG1 3.61Å; Y35-V128 HydrophobicContact CE2-CG1 4.04Å; Y35-V128 HydrophobicContact CG-CG1 3.95Å; Y35-K145 HydrophobicContact CD2-CB 4.12Å; Y35-K145 HydrophobicContact CE2-CB 4.08Å; Y35-K145 HydrophobicContact CE2-CD 4.05Å; Y35-K145 HydrophobicContact CE2-CG 4.19Å; Y35-L146 PolarHBondContact N-O 2.61Å; Y35-L146 VanDerWaalsContact N-O 3.15Å; Y35-C147 WeakPolarHBondContact O-CA 3.37Å
36L98.1Very high89.1Confident1 Ų135.1 Ų35.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-129.7131.9171.5-62.3168.3000107.8F33 L64 T66 T148 L150 I180 M230 L236F33-L36 HydrophobicContact CB-CD2 4.1Å; F33-L36 HydrophobicContact CD2-CD2 4.21Å; F33-L36 HydrophobicContact CG-CD2 4.32Å; L36-L64 HydrophobicContact CB-CB 4.38Å; L36-L64 HydrophobicContact CD1-CD2 4.17Å; L36-L64 PolarHBondContact N-O 2.91Å; L36-L64 PolarHBondContact O-N 3.28Å; L36-T66 HydrophobicContact CD1-CG2 3.73Å; L36-T66 HydrophobicContact CG-CG2 3.7Å; L36-T148 WeakPolarHBondContact CA-O 3.02Å; L36-T148 HydrophobicContact CD2-CG2 3.54Å; L36-L150 HydrophobicContact CD1-CD1 3.98Å; L36-I180 HydrophobicContact CD2-CD1 4.03Å; L36-M230 HydrophobicContact CD1-CE 4.45Å; L36-M230 HydrophobicContact CD1-SD 4.28Å; L36-L236 HydrophobicContact CD1-CD1 3.7Å
37I98.6Very high90.8Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-99.5108.8169.3-64.8174.5000107.3I39 A61 V62 L63 W118 V119 L122 F130 T148 F149 L150I37-I39 HydrophobicContact CG2-CD1 4.42Å; I37-I39 HydrophobicContact CG2-CG1 4.21Å; I37-A61 HydrophobicContact CG2-CB 3.82Å; I37-V62 WeakPolarHBondContact CA-O 3.41Å; I37-L63 HydrophobicContact CD1-CD1 4.34Å; I37-L63 HydrophobicContact CG1-CD1 3.65Å; I37-W118 HydrophobicContact CD1-CH2 4.33Å; I37-W118 HydrophobicContact CD1-CZ3 4.03Å; I37-W118 HydrophobicContact CG1-CH2 4.38Å; I37-W118 HydrophobicContact CG1-CZ3 4.49Å; I37-W118 HydrophobicContact CG2-CH2 4.01Å; I37-W118 HydrophobicContact CG2-CZ3 3.91Å; I37-V119 HydrophobicContact CD1-CG2 4.48Å; I37-L122 HydrophobicContact CD1-CD1 4.17Å; I37-F130 HydrophobicContact CD1-CE1 4.14Å; I37-F130 HydrophobicContact CD1-CZ 3.75Å; I37-T148 PolarHBondContact N-O 3.44Å; I37-F149 HydrophobicContact CB-CD1 3.68Å; I37-F149 HydrophobicContact CB-CE1 3.78Å; I37-F149 HydrophobicContact CD1-CE1 3.78Å; I37-F149 HydrophobicContact CD1-CZ 4.27Å; I37-F149 HydrophobicContact CG1-CE1 4.37Å; I37-F149 HydrophobicContact CG2-CD1 3.73Å; I37-F149 HydrophobicContact CG2-CE1 3.73Å; I37-F149 CarbonylContact O-C 3.53Å; I37-F149 WeakPolarHBondContact O-CA 3.4Å; I37-L150 PolarHBondContact O-N 3.02Å
38V98.9Very high92.4Very high0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-90130-178.7-173.10000109.6A61 V62 L150 A219 T222 A223V38-A61 CarbonylContact O-C 3.57Å; V38-A61 VanDerWaalsContact O-CA 3.23Å; V38-A61 WeakPolarHBondContact O-CA 3.44Å; V38-V62 HydrophobicContact CB-CG2 3.82Å; V38-V62 HydrophobicContact CG2-CG2 4.39Å; V38-V62 PolarHBondContact N-O 3.15Å; V38-V62 PolarHBondContact O-N 2.66Å; V38-L150 CarbonylContact C-O 3.3Å; V38-L150 VanDerWaalsContact CA-O 3.29Å; V38-L150 WeakPolarHBondContact CA-O 3.06Å; V38-L150 HydrophobicContact CB-CD2 4.39Å; V38-L150 HydrophobicContact CG1-CD2 3.82Å; V38-L150 HydrophobicContact CG2-CB 4.37Å; V38-L150 HydrophobicContact CG2-CD2 3.99Å; V38-A219 HydrophobicContact CG1-CB 4.34Å; V38-A219 WeakPolarHBondContact CG1-O 3.46Å; V38-T222 HydrophobicContact CG1-CG2 3.42Å; V38-T222 VanDerWaalsContact CG1-CG2 3.42Å; V38-A223 HydrophobicContact CB-CB 4.45Å; V38-A223 HydrophobicContact CG2-CB 3.9Å
39I98.8Very high92.9Very high0 Ų049.2 Ų49.20%024%0.238CC..EExtended strand (participates in β ladder)trans-129.8137.7-177.8-61.9176000108.8I37 F41 A61 F115 F149 L150 T151 L176I37-I39 HydrophobicContact CG2-CD1 4.42Å; I37-I39 HydrophobicContact CG2-CG1 4.21Å; I39-F41 HydrophobicContact CG2-CD1 3.81Å; I39-F41 HydrophobicContact CG2-CE1 3.31Å; I39-F41 HydrophobicContact CG2-CE2 4.1Å; I39-F41 HydrophobicContact CG2-CG 4.38Å; I39-F41 HydrophobicContact CG2-CZ 3.48Å; I39-F41 VanDerWaalsContact CG2-CZ 3.48Å; I39-A61 HydrophobicContact CG1-CB 3.87Å; I39-F115 HydrophobicContact CD1-CE2 4.43Å; I39-F115 HydrophobicContact CD1-CZ 4.05Å; I39-F149 HydrophobicContact CD1-CD1 3.75Å; I39-F149 HydrophobicContact CD1-CE1 4.33Å; I39-L150 PolarHBondContact N-O 3.3Å; I39-T151 HydrophobicContact CB-CG2 4.34Å; I39-T151 WeakPolarHBondContact O-CA 3.5Å; I39-L176 HydrophobicContact CD1-CD2 3.92Å
40D98.8Very high93.5Very high19 Ų1948.8 Ų48.810%0.10223%0.23CC..  trans-142.5123.7170.9-114-67.1000106.2P60 D218 A219 T222D40-P60 WeakPolarHBondContact O-CD 3.49Å; D40-P60 WeakPolarHBondContact O-CG 3.18Å; D40-D218 HydrophobicContact CB-CB 4.19Å; D40-A219 HydrophobicContact CB-CB 4.32Å; D40-T222 PolarHBondContact OD2-OG1 3.2Å
41F98.8Very high93.3Very high4 Ų450.6 Ų50.62%0.01824%0.24CC..  trans-103132.8-176.7-63.2-43.8000112.7I39 I56 F59 W155 D156 L157 L161I39-F41 HydrophobicContact CG2-CD1 3.81Å; I39-F41 HydrophobicContact CG2-CE1 3.31Å; I39-F41 HydrophobicContact CG2-CE2 4.1Å; I39-F41 HydrophobicContact CG2-CG 4.38Å; I39-F41 HydrophobicContact CG2-CZ 3.48Å; I39-F41 VanDerWaalsContact CG2-CZ 3.48Å; F41-I56 HydrophobicContact CB-CG1 4.43Å; F41-I56 HydrophobicContact CB-CG2 4.5Å; F41-I56 HydrophobicContact CD1-CD1 4.46Å; F41-I56 HydrophobicContact CD1-CG2 4.3Å; F41-I56 HydrophobicContact CD2-CD1 3.87Å; F41-I56 HydrophobicContact CD2-CG1 4.3Å; F41-I56 HydrophobicContact CE2-CD1 3.94Å; F41-I56 HydrophobicContact CG-CD1 4.15Å; F41-I56 HydrophobicContact CG-CG1 4.3Å; F41-I56 HydrophobicContact CG-CG2 4.44Å; F41-I56 HydrophobicContact CZ-CD1 4.27Å; F41-F59 HydrophobicContact CD1-CD2 4.26Å; F41-F59 HydrophobicContact CD1-CG 4.23Å; F41-F59 HydrophobicContact CE1-CB 4.43Å; F41-F59 AromaticContact CE1-CD1 3.74Å; F41-F59 HydrophobicContact CE1-CD1 3.74Å; F41-F59 AromaticContact CE1-CD2 3.52Å; F41-F59 HydrophobicContact CE1-CD2 3.52Å; F41-F59 AromaticContact CE1-CE1 3.74Å; F41-F59 HydrophobicContact CE1-CE1 3.74Å; F41-F59 AromaticContact CE1-CE2 3.54Å; F41-F59 HydrophobicContact CE1-CE2 3.54Å; F41-F59 AromaticContact CE1-CG 3.63Å; F41-F59 HydrophobicContact CE1-CG 3.63Å; F41-F59 AromaticContact CE1-CZ 3.65Å; F41-F59 HydrophobicContact CE1-CZ 3.65Å; F41-F59 HydrophobicContact CZ-CD2 4.06Å; F41-F59 HydrophobicContact CZ-CE1 4.2Å; F41-F59 AromaticContact CZ-CE2 3.63Å; F41-F59 HydrophobicContact CZ-CE2 3.63Å; F41-F59 AromaticContact CZ-CZ 3.7Å; F41-F59 HydrophobicContact CZ-CZ 3.7Å; F41-W155 HydrophobicContact CB-CH2 4.38Å; F41-W155 HydrophobicContact CB-CZ3 4.02Å; F41-W155 WeakPolarHBondContact O-CH2 3.41Å; F41-W155 WeakPolarHBondContact O-CZ3 3.46Å; F41-D156 HydrophobicContact CD2-CB 3.78Å; F41-D156 HydrophobicContact CE2-CB 4.13Å; F41-D156 WeakPolarHBondContact CE2-O 3.43Å; F41-D156 PolarHBondContact N-OD1 3.13Å; F41-L157 HydrophobicContact CE2-CD2 4Å; F41-L157 HydrophobicContact CZ-CD2 4.14Å; F41-L161 HydrophobicContact CE2-CB 3.82Å; F41-L161 HydrophobicContact CE2-CD2 4.24Å; F41-L161 HydrophobicContact CZ-CD2 4.25Å
42E98.6Very high92.7Very high21 Ų2154.5 Ų54.510%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-87.7145.5159.3-66.7-57.5155.900110.8I57 E58 T95 I97 H213E42-I57 HydrophobicContact CB-CG1 4.17Å; E42-I57 PolarHBondContact O-N 3.38Å; E42-E58 HydrophobicContact CB-CB 3.83Å; E42-E58 HydrophobicContact CG-CB 4.43Å; E42-E58 PolarHBondContact N-O 3.41Å; E42-E58 PolarHBondContact O-N 3.4Å; E42-T95 HydrophobicContact CB-CG2 4.15Å; E42-T95 HydrophobicContact CG-CG2 4.12Å; E42-T95 VanDerWaalsContact OE2-CG2 3.26Å; E42-T95 WeakPolarHBondContact OE2-CG2 3.02Å; E42-I97 HydrophobicContact CB-CD1 3.71Å; E42-I97 HydrophobicContact CG-CD1 4.21Å; E42-H213 VanDerWaalsContact OE1-C 3.28Å; E42-H213 WeakPolarHBondContact OE1-CA 3.4Å; E42-H213 IonicContact OE1-ND1 3.24Å
43S98.1Very high92.5Very high6 Ų651.6 Ų51.64%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-143.6160.9-173.864.40000112.9C45 Q54 E55 W155S43-C45 PolarHBondContact O-N 3.26Å; S43-Q54 PolarHBondContact OG-NE2 3.07Å; S43-E55 CarbonylContact C-O 3.45Å; S43-E55 WeakPolarHBondContact CA-O 3.39Å; S43-E55 VanDerWaalsContact CB-O 3.28Å; S43-E55 WeakPolarHBondContact CB-O 3.35Å; S43-W155 VanDerWaalsContact OG-CH2 3.31Å; S43-W155 WeakPolarHBondContact OG-CH2 3.47Å; S43-W155 VanDerWaalsContact OG-CZ2 3.27Å; S43-W155 WeakPolarHBondContact OG-CZ2 3.41Å
44T97.8Very high92.5Very high3 Ų352.2 Ų52.22%0.01825%0.247CC..  trans-56129.1172.254.10000111Q54 E55 I57 P81 L87T44-Q54 PolarHBondContact O-NE2 2.94Å; T44-E55 HydrophobicContact CG2-CB 4.31Å; T44-E55 PolarHBondContact N-O 2.83Å; T44-E55 PolarHBondContact OG1-N 3.01Å; T44-I57 HydrophobicContact CG2-CG2 3.74Å; T44-P81 HydrophobicContact CG2-CB 3.94Å; T44-P81 HydrophobicContact CG2-CG 4.15Å; T44-L87 HydrophobicContact CG2-CD2 4.13Å
45C95.6Very high92.6Very high14 Ų1450.3 Ų50.310%0.09523%0.234CC..  trans-145.5164.6-178.273.20000111.9S43 S88 C91S43-C45 PolarHBondContact O-N 3.26Å; C45-S88 PolarHBondContact O-OG 2.71Å; C45-C91 VanDerWaalsContact SG-CA 3.57Å
46W94.6Very high92.7Very high65 Ų6549.6 Ų49.625%0.24623%0.231CC..  trans-143148.6-175.3-61.2-94.2000110E48 Y52 H84 F90W46-E48 PolarHBondContact O-N 2.96Å; W46-Y52 AromaticContact CD2-CD2 3.74Å; W46-Y52 HydrophobicContact CD2-CD2 3.74Å; W46-Y52 HydrophobicContact CD2-CE2 4.48Å; W46-Y52 AromaticContact CE2-CD2 3.75Å; W46-Y52 AromaticContact CE3-CD2 3.97Å; W46-Y52 HydrophobicContact CE3-CD2 3.97Å; W46-Y52 HydrophobicContact CG-CD2 4.25Å; W46-Y52 HydrophobicContact CH2-CD2 4.28Å; W46-Y52 HydrophobicContact CH2-CG 4.29Å; W46-Y52 HydrophobicContact CZ2-CD2 4.03Å; W46-Y52 HydrophobicContact CZ2-CG 4.34Å; W46-Y52 HydrophobicContact CZ3-CD2 4.25Å; W46-Y52 HydrophobicContact CZ3-CG 4.38Å; W46-H84 HydrophobicContact CH2-CB 4.29Å; W46-H84 AromaticContact CH2-CD2 3.8Å; W46-H84 HydrophobicContact CZ2-CB 3.93Å; W46-H84 AromaticContact CZ2-CD2 3.98Å; W46-H84 AromaticContact CZ2-CG 3.82Å; W46-F90 VanDerWaalsContact C-CD1 3.4Å
47R91.7Very high92.8Very high154 Ų15449.6 Ų49.658%0.58123%0.231SC*.SBendtrans-65.3-27.8179.5-157.5-176.2-60.4-80.24.4112.3F90 E93R47-F90 HydrophobicContact CB-CB 4.04Å; R47-F90 HydrophobicContact CB-CD1 4.35Å; R47-F90 HydrophobicContact CB-CD2 4.25Å; R47-F90 HydrophobicContact CB-CG 3.94Å; R47-F90 HydrophobicContact CG-CD2 4.18Å; R47-F90 HydrophobicContact CG-CG 4.38Å; R47-E93 IonicContact CZ-OE2 3.11Å; R47-E93 IonicContact NH1-OE2 3.31Å; R47-E93 PolarHBondContact NH1-OE2 2.96Å; R47-E93 VanDerWaalsContact NH2-CD 3.28Å; R47-E93 IonicContact NH2-OE1 2.7Å; R47-E93 PolarHBondContact NH2-OE1 3.33Å; R47-E93 VanDerWaalsContact NH2-OE1 3.11Å; R47-E93 IonicContact NH2-OE2 3.03Å; R47-E93 PolarHBondContact NH2-OE2 3.13Å
48E90.4Very high92.8Very high139 Ų13949.6 Ų49.665%0.6523%0.231SC*.SBendtrans-95.3148.4178.2-63.4178.6158.400111.9W46 N50W46-E48 PolarHBondContact O-N 2.96Å; E48-N50 PolarHBondContact O-N 2.91Å; E48-N50 PolarHBondContact OE2-ND2 3.39Å
49K76.5Confident92.8Very high215 Ų21549.6 Ų49.694%0.93523%0.231SC*.  trans-78.371.9178.7-71.6-158.7170.7-158.40112.3
50N74.9Confident92.8Very high67 Ų6749.6 Ų49.636%0.35823%0.231SC..  trans-91146.4177.2-65.2-31.3000111.2E48 Y52E48-N50 PolarHBondContact O-N 2.91Å; E48-N50 PolarHBondContact OE2-ND2 3.39Å; N50-Y52 HydrophobicContact CB-CD2 3.45Å; N50-Y52 VanDerWaalsContact CB-CD2 3.45Å; N50-Y52 HydrophobicContact CB-CE2 3.48Å; N50-Y52 VanDerWaalsContact CB-CE2 3.48Å; N50-Y52 HydrophobicContact CB-CG 4.23Å; N50-Y52 PolarHBondContact O-N 3.41Å
51N76.5Confident92.8Very high173 Ų17348.7 Ų48.793%0.92523%0.226SC*.  trans-81.231.9-178.9-64.5-32.4000112.9
52Y81.6Confident92.8Very high117 Ų11748.5 Ų48.546%0.45923%0.225SC..PPolyproline II helixtrans-71.7146179.9-64.3-49.4000111.2W46 N50 Q54 H84W46-Y52 AromaticContact CD2-CD2 3.74Å; W46-Y52 HydrophobicContact CD2-CD2 3.74Å; W46-Y52 HydrophobicContact CD2-CE2 4.48Å; W46-Y52 AromaticContact CE2-CD2 3.75Å; W46-Y52 AromaticContact CE3-CD2 3.97Å; W46-Y52 HydrophobicContact CE3-CD2 3.97Å; W46-Y52 HydrophobicContact CG-CD2 4.25Å; W46-Y52 HydrophobicContact CH2-CD2 4.28Å; W46-Y52 HydrophobicContact CH2-CG 4.29Å; W46-Y52 HydrophobicContact CZ2-CD2 4.03Å; W46-Y52 HydrophobicContact CZ2-CG 4.34Å; W46-Y52 HydrophobicContact CZ3-CD2 4.25Å; W46-Y52 HydrophobicContact CZ3-CG 4.38Å; N50-Y52 HydrophobicContact CB-CD2 3.45Å; N50-Y52 VanDerWaalsContact CB-CD2 3.45Å; N50-Y52 HydrophobicContact CB-CE2 3.48Å; N50-Y52 VanDerWaalsContact CB-CE2 3.48Å; N50-Y52 HydrophobicContact CB-CG 4.23Å; N50-Y52 PolarHBondContact O-N 3.41Å; Y52-Q54 PolarHBondContact O-N 2.98Å; Y52-H84 AromaticContact CD1-CE1 3.57Å; Y52-H84 AromaticContact CD1-NE2 3.53Å; Y52-H84 AromaticContact CG-NE2 3.78Å
53G87.8Confident92.8Very high20 Ų2047.5 Ų47.521%0.20622%0.22CC..PPolyproline II helixtrans-73.8118.5172.900000109.4
54Q94.9Very high92.8Very high24 Ų2447.2 Ų47.211%0.11222%0.219CC..PPolyproline II helixtrans-64.3144.4171.8-60.3-168.7-78.200110.5S43 T44 Y52 W155 R167 Y397S43-Q54 PolarHBondContact OG-NE2 3.07Å; T44-Q54 PolarHBondContact O-NE2 2.94Å; Y52-Q54 PolarHBondContact O-N 2.98Å; Q54-W155 VanDerWaalsContact OE1-NE1 3.13Å; Q54-R167 PolarHBondContact O-NH2 3.45Å; Q54-Y397 VanDerWaalsContact CD-CZ 3.42Å; Q54-Y397 PolarHBondContact OE1-OH 2.95Å; Q54-Y397 VanDerWaalsContact OE1-OH 3.07Å
55E97.8Very high92.7Very high0 Ų048 Ų480%022%0.222CC..  trans-126.2136.2173.4-59.1-17689.300108.3S43 T44 P81 Q82 E83 H84 E164 K168S43-E55 CarbonylContact C-O 3.45Å; S43-E55 WeakPolarHBondContact CA-O 3.39Å; S43-E55 VanDerWaalsContact CB-O 3.28Å; S43-E55 WeakPolarHBondContact CB-O 3.35Å; T44-E55 HydrophobicContact CG2-CB 4.31Å; T44-E55 PolarHBondContact N-O 2.83Å; T44-E55 PolarHBondContact OG1-N 3.01Å; E55-P81 HydrophobicContact CB-CB 4.02Å; E55-P81 HydrophobicContact CG-CB 4.49Å; E55-P81 WeakPolarHBondContact OE2-CB 3.46Å; E55-Q82 PolarHBondContact OE1-N 3.07Å; E55-Q82 PolarHBondContact OE2-N 2.89Å; E55-E83 PolarHBondContact OE1-N 3.03Å; E55-E83 VanDerWaalsContact OE1-N 3.1Å; E55-E83 WeakPolarHBondContact OE2-CB 3.46Å; E55-E83 PolarHBondContact OE2-N 3.44Å; E55-H84 PolarHBondContact OE2-N 2.93Å; E55-E164 WeakPolarHBondContact CA-OE2 3.17Å; E55-K168 WeakPolarHBondContact OE1-CE 3.4Å; E55-K168 IonicContact OE1-NZ 3.07Å; E55-K168 PolarHBondContact OE1-NZ 3.09Å
56I98.7Very high92.7Very high0 Ų047.6 Ų47.60%022%0.22CC..EExtended strand (participates in β ladder)trans-63.4134174.4-64.1167.9000108.9F41 E58 F59 V79 L108 L161 E164F41-I56 HydrophobicContact CB-CG1 4.43Å; F41-I56 HydrophobicContact CB-CG2 4.5Å; F41-I56 HydrophobicContact CD1-CD1 4.46Å; F41-I56 HydrophobicContact CD1-CG2 4.3Å; F41-I56 HydrophobicContact CD2-CD1 3.87Å; F41-I56 HydrophobicContact CD2-CG1 4.3Å; F41-I56 HydrophobicContact CE2-CD1 3.94Å; F41-I56 HydrophobicContact CG-CD1 4.15Å; F41-I56 HydrophobicContact CG-CG1 4.3Å; F41-I56 HydrophobicContact CG-CG2 4.44Å; F41-I56 HydrophobicContact CZ-CD1 4.27Å; I56-E58 WeakPolarHBondContact CG2-O 3.37Å; I56-F59 HydrophobicContact CG2-CB 4.37Å; I56-F59 HydrophobicContact CG2-CD2 4.37Å; I56-V79 HydrophobicContact CG2-CB 4.4Å; I56-V79 HydrophobicContact CG2-CG2 4.16Å; I56-V79 VanDerWaalsContact O-CB 3.3Å; I56-V79 WeakPolarHBondContact O-CB 3.42Å; I56-V79 WeakPolarHBondContact O-CG1 3.46Å; I56-L108 HydrophobicContact CD1-CD1 4.18Å; I56-L108 HydrophobicContact CD1-CD2 4.5Å; I56-L161 HydrophobicContact CD1-CB 4.02Å; I56-L161 HydrophobicContact CD1-CD1 3.84Å; I56-E164 WeakPolarHBondContact CG1-OE2 3.34Å; I56-E164 PolarHBondContact N-OE2 3.22Å
57I98.8Very high92.7Very high0 Ų047.6 Ų47.60%023%0.229CC..EExtended strand (participates in β ladder)trans-121.2-19.1176.362.6174.8000113E42 T44 Y78 V79 P81 L87 I97 V102E42-I57 HydrophobicContact CB-CG1 4.17Å; E42-I57 PolarHBondContact O-N 3.38Å; T44-I57 HydrophobicContact CG2-CG2 3.74Å; I57-Y78 WeakPolarHBondContact O-CA 3.31Å; I57-V79 PolarHBondContact O-N 2.89Å; I57-P81 HydrophobicContact CG2-CB 4.31Å; I57-P81 HydrophobicContact CG2-CG 3.9Å; I57-L87 HydrophobicContact CD1-CD1 4.46Å; I57-L87 HydrophobicContact CD1-CD2 3.96Å; I57-L87 HydrophobicContact CG2-CD2 4.18Å; I57-I97 HydrophobicContact CD1-CB 4.48Å; I57-I97 HydrophobicContact CD1-CD1 3.83Å; I57-I97 HydrophobicContact CG1-CD1 3.81Å; I57-V102 HydrophobicContact CB-CG1 3.8Å; I57-V102 HydrophobicContact CG2-CG1 4.12Å
58E98.9Very high92.8Very high0 Ų041.9 Ų41.90%021%0.213CC..EExtended strand (participates in β ladder)trans-130.2130.3167.6-164.1-179.317500109.9E42 I56 P60 H76 Y78 I97 G215 L216E42-E58 HydrophobicContact CB-CB 3.83Å; E42-E58 HydrophobicContact CG-CB 4.43Å; E42-E58 PolarHBondContact N-O 3.41Å; E42-E58 PolarHBondContact O-N 3.4Å; I56-E58 WeakPolarHBondContact CG2-O 3.37Å; E58-P60 HydrophobicContact CG-CG 4.22Å; E58-H76 IonicContact OE1-CD2 2.77Å; E58-H76 PolarHBondContact OE1-CD2 2.87Å; E58-H76 IonicContact OE1-CE1 2.81Å; E58-H76 IonicContact OE1-NE2 3.32Å; E58-H76 PolarHBondContact OE1-NE2 2.96Å; E58-Y78 HydrophobicContact CB-CD1 4.39Å; E58-Y78 HydrophobicContact CB-CE1 4.49Å; E58-Y78 HydrophobicContact CG-CD1 4.2Å; E58-Y78 HydrophobicContact CG-CE1 4.01Å; E58-I97 HydrophobicContact CB-CD1 3.82Å; E58-G215 PolarHBondContact OE2-N 3.12Å; E58-L216 PolarHBondContact OE1-N 2.9Å
59F98.8Very high93.1Very high0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-122.687.8175.6-159.8-55.4000109.5F41 I56 F75 M77 V79 L108 C111 L112 F115F41-F59 HydrophobicContact CD1-CD2 4.26Å; F41-F59 HydrophobicContact CD1-CG 4.23Å; F41-F59 HydrophobicContact CE1-CB 4.43Å; F41-F59 AromaticContact CE1-CD1 3.74Å; F41-F59 HydrophobicContact CE1-CD1 3.74Å; F41-F59 AromaticContact CE1-CD2 3.52Å; F41-F59 HydrophobicContact CE1-CD2 3.52Å; F41-F59 AromaticContact CE1-CE1 3.74Å; F41-F59 HydrophobicContact CE1-CE1 3.74Å; F41-F59 AromaticContact CE1-CE2 3.54Å; F41-F59 HydrophobicContact CE1-CE2 3.54Å; F41-F59 AromaticContact CE1-CG 3.63Å; F41-F59 HydrophobicContact CE1-CG 3.63Å; F41-F59 AromaticContact CE1-CZ 3.65Å; F41-F59 HydrophobicContact CE1-CZ 3.65Å; F41-F59 HydrophobicContact CZ-CD2 4.06Å; F41-F59 HydrophobicContact CZ-CE1 4.2Å; F41-F59 AromaticContact CZ-CE2 3.63Å; F41-F59 HydrophobicContact CZ-CE2 3.63Å; F41-F59 AromaticContact CZ-CZ 3.7Å; F41-F59 HydrophobicContact CZ-CZ 3.7Å; I56-F59 HydrophobicContact CG2-CB 4.37Å; I56-F59 HydrophobicContact CG2-CD2 4.37Å; F59-F75 HydrophobicContact CB-CE1 4.48Å; F59-F75 HydrophobicContact CD1-CD1 4.06Å; F59-F75 AromaticContact CD1-CE1 3.69Å; F59-F75 HydrophobicContact CD1-CE1 3.69Å; F59-F75 HydrophobicContact CE1-CE1 4.33Å; F59-F75 HydrophobicContact CG-CE1 4.32Å; F59-F75 WeakPolarHBondContact O-CD1 3.29Å; F59-F75 WeakPolarHBondContact O-CE1 3.47Å; F59-M77 PolarHBondContact N-O 3.48Å; F59-M77 PolarHBondContact O-N 2.83Å; F59-M77 VanDerWaalsContact O-N 3.13Å; F59-V79 HydrophobicContact CB-CG2 3.97Å; F59-L108 HydrophobicContact CD2-CD1 4.17Å; F59-L108 HydrophobicContact CE2-CD1 4.39Å; F59-C111 VanDerWaalsContact CB-SG 3.5Å; F59-L112 HydrophobicContact CE2-CD2 3.75Å; F59-L112 HydrophobicContact CZ-CD2 4.09Å; F59-F115 HydrophobicContact CD1-CD2 4.28Å; F59-F115 HydrophobicContact CE1-CB 4.32Å; F59-F115 HydrophobicContact CE1-CD1 4.35Å; F59-F115 AromaticContact CE1-CD2 3.52Å; F59-F115 HydrophobicContact CE1-CD2 3.52Å; F59-F115 AromaticContact CE1-CE2 3.82Å; F59-F115 HydrophobicContact CE1-CE2 3.82Å; F59-F115 AromaticContact CE1-CG 3.8Å; F59-F115 HydrophobicContact CE1-CG 3.8Å; F59-F115 HydrophobicContact CE1-CZ 4.34Å; F59-F115 HydrophobicContact CZ-CD1 4.28Å; F59-F115 HydrophobicContact CZ-CD2 4.25Å; F59-F115 HydrophobicContact CZ-CG 4.09Å
60P98.6Very high94Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-91.5156.8168.917.40.4000111.6D40 E58 F75 G215 L216D40-P60 WeakPolarHBondContact O-CD 3.49Å; D40-P60 WeakPolarHBondContact O-CG 3.18Å; E58-P60 HydrophobicContact CG-CG 4.22Å; P60-F75 CarbonylContact C-O 3.47Å; P60-F75 VanDerWaalsContact CA-O 3.29Å; P60-F75 WeakPolarHBondContact CA-O 3.35Å; P60-G215 WeakPolarHBondContact CG-O 3.44Å; P60-L216 HydrophobicContact CB-CB 3.98Å; P60-L216 HydrophobicContact CB-CD1 3.99Å; P60-L216 HydrophobicContact CG-CB 4.48Å; P60-L216 VanDerWaalsContact CG-N 3.32Å
61A98.8Very high95.1Very high0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-152.2137.1160.200000110.4I37 V38 I39 E74 F75 F115 W118I37-A61 HydrophobicContact CG2-CB 3.82Å; V38-A61 CarbonylContact O-C 3.57Å; V38-A61 VanDerWaalsContact O-CA 3.23Å; V38-A61 WeakPolarHBondContact O-CA 3.44Å; I39-A61 HydrophobicContact CG1-CB 3.87Å; A61-E74 CarbonylContact O-C 3.55Å; A61-E74 WeakPolarHBondContact O-CA 3.41Å; A61-F75 HydrophobicContact CB-CB 4.29Å; A61-F75 PolarHBondContact N-O 3.4Å; A61-F75 PolarHBondContact O-N 3.48Å; A61-F115 HydrophobicContact CB-CD2 4.48Å; A61-F115 HydrophobicContact CB-CE2 3.74Å; A61-W118 HydrophobicContact CB-CH2 3.96Å; A61-W118 HydrophobicContact CB-CZ3 3.88Å
62V98.8Very high96.1Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-120.4129.7176.9-56.10000111.6I37 V38 L64 V71 E74 L216 A219 R220 A223I37-V62 WeakPolarHBondContact CA-O 3.41Å; V38-V62 HydrophobicContact CB-CG2 3.82Å; V38-V62 HydrophobicContact CG2-CG2 4.39Å; V38-V62 PolarHBondContact N-O 3.15Å; V38-V62 PolarHBondContact O-N 2.66Å; V62-L64 PolarHBondContact O-N 3.16Å; V62-V71 HydrophobicContact CB-CG1 3.97Å; V62-V71 HydrophobicContact CB-CG2 4.44Å; V62-V71 HydrophobicContact CG2-CG2 4.44Å; V62-E74 HydrophobicContact CB-CG 4.4Å; V62-E74 HydrophobicContact CG1-CB 4.3Å; V62-E74 HydrophobicContact CG1-CG 3.83Å; V62-L216 HydrophobicContact CG1-CD1 3.89Å; V62-A219 HydrophobicContact CG1-CB 4.47Å; V62-A219 HydrophobicContact CG2-CB 4.22Å; V62-R220 HydrophobicContact CG1-CG 4.18Å; V62-A223 HydrophobicContact CG2-CB 4.05Å
63L98.6Very high96.9Very high0 Ų020.5 Ų20.50%012%0.124CC..EExtended strand (participates in β ladder)trans-87.8103.2178.9-18073.5000110Y35 I37 V71 E72 S73 W118 L122 K126Y35-L63 HydrophobicContact CD1-CD1 3.73Å; Y35-L63 HydrophobicContact CD1-CD2 4Å; Y35-L63 HydrophobicContact CD1-CG 3.79Å; Y35-L63 HydrophobicContact CE1-CD2 4.19Å; Y35-L63 HydrophobicContact CE1-CG 4.4Å; Y35-L63 HydrophobicContact CG-CD1 4.12Å; I37-L63 HydrophobicContact CD1-CD1 4.34Å; I37-L63 HydrophobicContact CG1-CD1 3.65Å; L63-V71 CarbonylContact O-C 3.51Å; L63-V71 WeakPolarHBondContact O-CA 3.4Å; L63-E72 HydrophobicContact CD2-CB 4.39Å; L63-E72 PolarHBondContact O-N 3.45Å; L63-S73 PolarHBondContact N-O 3.46Å; L63-W118 HydrophobicContact CB-CH2 4.39Å; L63-W118 HydrophobicContact CB-CZ2 4.3Å; L63-L122 HydrophobicContact CB-CD1 4.39Å; L63-L122 HydrophobicContact CD1-CD1 4.07Å; L63-L122 HydrophobicContact CD2-CD1 3.91Å; L63-L122 HydrophobicContact CD2-CD2 3.85Å; L63-L122 HydrophobicContact CD2-CG 4.42Å; L63-L122 HydrophobicContact CG-CD1 4.35Å; L63-K126 HydrophobicContact CD2-CD 3.55Å
64L98.3Very high97.4Very high1 Ų123.3 Ų23.31%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-88.7123.1174.316961.8000110.7Y35 L36 V62 A223 A226 V227 M230Y35-L64 CarbonylContact C-O 3.56Å; Y35-L64 VanDerWaalsContact CA-O 3.3Å; Y35-L64 WeakPolarHBondContact CA-O 3.3Å; L36-L64 HydrophobicContact CB-CB 4.38Å; L36-L64 HydrophobicContact CD1-CD2 4.17Å; L36-L64 PolarHBondContact N-O 2.91Å; L36-L64 PolarHBondContact O-N 3.28Å; V62-L64 PolarHBondContact O-N 3.16Å; L64-A223 HydrophobicContact CB-CB 4.49Å; L64-A223 HydrophobicContact CD2-CB 4.25Å; L64-A226 HydrophobicContact CD2-CB 4.23Å; L64-V227 HydrophobicContact CD1-CG2 3.44Å; L64-V227 VanDerWaalsContact CD1-CG2 3.44Å; L64-V227 HydrophobicContact CD2-CG2 3.72Å; L64-V227 HydrophobicContact CG-CG2 4.2Å; L64-M230 HydrophobicContact CD2-CE 4.11Å
65N96.8Very high97.6Very high18 Ų1823 Ų2310%0.09613%0.13CC..EExtended strand (participates in β ladder)trans-79.2119.8164.7175.6-23.4000109Y35 S67 S68 G69 E70 E72Y35-N65 HydrophobicContact CD1-CB 4.12Å; Y35-N65 HydrophobicContact CE1-CB 3.73Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.01Å; N65-S67 PolarHBondContact OD1-N 3.23Å; N65-S67 PolarHBondContact OD1-OG 2.9Å; N65-S68 WeakPolarHBondContact CB-OG 3.37Å; N65-S68 VanDerWaalsContact CG-OG 3.32Å; N65-S68 PolarHBondContact OD1-N 2.74Å; N65-G69 WeakPolarHBondContact O-CA 3.4Å; N65-G69 PolarHBondContact O-N 2.8Å; N65-E70 PolarHBondContact N-O 2.82Å; N65-E72 HydrophobicContact CB-CG 4.05Å; N65-E72 VanDerWaalsContact CB-OE1 3.31Å; N65-E72 WeakPolarHBondContact CB-OE1 3.36Å; N65-E72 PolarHBondContact ND2-OE1 3.03Å
66T95.7Very high97.6Very high6 Ų626.4 Ų26.44%0.03715%0.146CC..THydrogen-bonded Turntrans-70.1-30-173.6610000112.9I28 F33 S34 L36 M230I28-T66 WeakPolarHBondContact CB-O 3.43Å; I28-T66 WeakPolarHBondContact CD1-O 3.45Å; I28-T66 WeakPolarHBondContact CG2-O 3.26Å; F33-T66 WeakPolarHBondContact O-CB 3.25Å; F33-T66 VanDerWaalsContact O-CG2 3.25Å; F33-T66 WeakPolarHBondContact O-CG2 3.19Å; F33-T66 PolarHBondContact O-OG1 2.79Å; S34-T66 WeakPolarHBondContact CA-OG1 3.38Å; S34-T66 PolarHBondContact O-N 2.82Å; S34-T66 PolarHBondContact O-OG1 3.12Å; S34-T66 VanDerWaalsContact O-OG1 3.12Å; L36-T66 HydrophobicContact CD1-CG2 3.73Å; L36-T66 HydrophobicContact CG-CG2 3.7Å; T66-M230 HydrophobicContact CG2-CE 4.29Å; T66-M230 HydrophobicContact CG2-SD 4.05Å
67S93.6Very high97.6Very high65 Ų6527.6 Ų27.646%0.45515%0.152SC..THydrogen-bonded Turntrans-76.9-37.5-174.969.50000113.6I28 N65I28-S67 PolarHBondContact N-O 3.34Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.01Å; N65-S67 PolarHBondContact OD1-N 3.23Å; N65-S67 PolarHBondContact OD1-OG 2.9Å
68S94.3Very high97.6Very high34 Ų3430.6 Ų30.624%0.23816%0.164CC..THydrogen-bonded Turntrans-87.9-35177.262.30000111.8N65 E70N65-S68 WeakPolarHBondContact CB-OG 3.37Å; N65-S68 VanDerWaalsContact CG-OG 3.32Å; N65-S68 PolarHBondContact OD1-N 2.74Å; S68-E70 PolarHBondContact OG-N 2.83Å
69G95.4Very high97.6Very high13 Ų1330.6 Ų30.613%0.13416%0.164CC..THydrogen-bonded Turntrans79.624.1-17100000113.5N65N65-G69 WeakPolarHBondContact O-CA 3.4Å; N65-G69 PolarHBondContact O-N 2.8Å
70E96.8Very high97.6Very high82 Ų8233.8 Ų33.838%0.38318%0.179SC..EExtended strand (participates in β ladder)trans-112.5150.1-178.3-50.3-60.5132.700111.6K25 N65 S68K25-E70 VanDerWaalsContact NZ-CD 3.26Å; K25-E70 IonicContact NZ-OE1 3.74Å; K25-E70 PolarHBondContact NZ-OE1 3.05Å; K25-E70 IonicContact NZ-OE2 3.22Å; N65-E70 PolarHBondContact N-O 2.82Å; S68-E70 PolarHBondContact OG-N 2.83Å
71V97.8Very high97.5Very high61 Ų6134 Ų3437%0.3718%0.18SC..EExtended strand (participates in β ladder)trans-81127.2169.2175.90000109.1V62 L63 E74V62-V71 HydrophobicContact CB-CG1 3.97Å; V62-V71 HydrophobicContact CB-CG2 4.44Å; V62-V71 HydrophobicContact CG2-CG2 4.44Å; L63-V71 CarbonylContact O-C 3.51Å; L63-V71 WeakPolarHBondContact O-CA 3.4Å; V71-E74 HydrophobicContact CG1-CG 3.85Å
72E97.3Very high97.3Very high72 Ų7239.2 Ų39.234%0.33620%0.204SC..EExtended strand (participates in β ladder)trans-112.5-9.8-175.4-67.7-165.8-175.300114.8Y35 L63 N65 K126Y35-E72 PolarHBondContact OH-OE2 3.23Å; L63-E72 HydrophobicContact CD2-CB 4.39Å; L63-E72 PolarHBondContact O-N 3.45Å; N65-E72 HydrophobicContact CB-CG 4.05Å; N65-E72 VanDerWaalsContact CB-OE1 3.31Å; N65-E72 WeakPolarHBondContact CB-OE1 3.36Å; N65-E72 PolarHBondContact ND2-OE1 3.03Å; E72-K126 IonicContact OE2-NZ 2.69Å; E72-K126 PolarHBondContact OE2-NZ 3.18Å
73S98.1Very high97.1Very high34 Ų3442.8 Ų42.824%0.23822%0.221CC..EExtended strand (participates in β ladder)trans-163.1150.2174.2-166.20000109.4L63 W118L63-S73 PolarHBondContact N-O 3.46Å; S73-W118 PolarHBondContact OG-NE1 3.02Å
74E98.5Very high96.9Very high79 Ų7945.2 Ų45.237%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-129.9145.8174.4-54.8-169.8141.800109.2A61 V62 V71 R220A61-E74 CarbonylContact O-C 3.55Å; A61-E74 WeakPolarHBondContact O-CA 3.41Å; V62-E74 HydrophobicContact CB-CG 4.4Å; V62-E74 HydrophobicContact CG1-CB 4.3Å; V62-E74 HydrophobicContact CG1-CG 3.83Å; V71-E74 HydrophobicContact CG1-CG 3.85Å; E74-R220 IonicContact OE1-CZ 3.67Å; E74-R220 IonicContact OE1-NE 2.71Å; E74-R220 PolarHBondContact OE1-NE 2.77Å; E74-R220 IonicContact OE1-NH2 3.76Å; E74-R220 PolarHBondContact OE1-NH2 2.88Å; E74-R220 IonicContact OE2-CZ 3.86Å; E74-R220 IonicContact OE2-NE 3.25Å; E74-R220 IonicContact OE2-NH2 3.25Å; E74-R220 PolarHBondContact OE2-NH2 2.81Å
75F98.7Very high96.8Very high18 Ų1848.4 Ų48.48%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-117.5138.1164.4174.6-87.6000107.1F59 P60 A61 M77 R114 F115 W118F59-F75 HydrophobicContact CB-CE1 4.48Å; F59-F75 HydrophobicContact CD1-CD1 4.06Å; F59-F75 AromaticContact CD1-CE1 3.69Å; F59-F75 HydrophobicContact CD1-CE1 3.69Å; F59-F75 HydrophobicContact CE1-CE1 4.33Å; F59-F75 HydrophobicContact CG-CE1 4.32Å; F59-F75 WeakPolarHBondContact O-CD1 3.29Å; F59-F75 WeakPolarHBondContact O-CE1 3.47Å; P60-F75 CarbonylContact C-O 3.47Å; P60-F75 VanDerWaalsContact CA-O 3.29Å; P60-F75 WeakPolarHBondContact CA-O 3.35Å; A61-F75 HydrophobicContact CB-CB 4.29Å; A61-F75 PolarHBondContact N-O 3.4Å; A61-F75 PolarHBondContact O-N 3.48Å; F75-M77 HydrophobicContact CE1-CB 4.22Å; F75-M77 HydrophobicContact CE1-CG 3.97Å; F75-M77 HydrophobicContact CE2-CG 4.24Å; F75-M77 HydrophobicContact CE2-SD 4.39Å; F75-M77 HydrophobicContact CZ-CB 4.29Å; F75-M77 HydrophobicContact CZ-CG 3.63Å; F75-M77 HydrophobicContact CZ-SD 3.87Å; F75-R114 HydrophobicContact CE2-CB 4.09Å; F75-R114 HydrophobicContact CZ-CB 4.31Å; F75-F115 AromaticContact CD1-CD2 3.88Å; F75-F115 HydrophobicContact CD1-CD2 3.88Å; F75-F115 HydrophobicContact CE1-CB 4.06Å; F75-F115 HydrophobicContact CE1-CD2 4.07Å; F75-F115 HydrophobicContact CE2-CB 4.1Å; F75-F115 HydrophobicContact CG-CD2 4.13Å; F75-F115 HydrophobicContact CZ-CB 3.76Å; F75-F115 HydrophobicContact CZ-CD2 4.47Å; F75-W118 HydrophobicContact CB-CD2 3.7Å; F75-W118 HydrophobicContact CB-CE3 3.94Å; F75-W118 HydrophobicContact CB-CG 4.08Å; F75-W118 HydrophobicContact CB-CH2 4.33Å; F75-W118 HydrophobicContact CB-CZ2 4.11Å; F75-W118 HydrophobicContact CB-CZ3 4.26Å; F75-W118 HydrophobicContact CD2-CB 3.87Å; F75-W118 HydrophobicContact CD2-CD2 4.41Å; F75-W118 HydrophobicContact CD2-CG 4.04Å; F75-W118 HydrophobicContact CG-CD2 4.4Å; F75-W118 HydrophobicContact CG-CG 4.48Å
76H98.6Very high96.8Very high71 Ų7152.6 Ų52.633%0.32928%0.279SS..EExtended strand (participates in β ladder)trans-151.5132.6177.9-176.9-121.9000110.2E58 Y78 L216E58-H76 IonicContact OE1-CD2 2.77Å; E58-H76 PolarHBondContact OE1-CD2 2.87Å; E58-H76 IonicContact OE1-CE1 2.81Å; E58-H76 IonicContact OE1-NE2 3.32Å; E58-H76 PolarHBondContact OE1-NE2 2.96Å; H76-Y78 AromaticContact CE1-CE2 3.99Å; H76-Y78 AromaticContact CE1-CZ 3.73Å; H76-L216 HydrophobicContact CB-CD2 4.19Å
77M98.7Very high96.9Very high26 Ų2653 Ų5313%0.12828%0.281CS..EExtended strand (participates in β ladder)trans-152137.6176.6-73.8-150.169.700111.1F59 F75 V106 R114F59-M77 PolarHBondContact N-O 3.48Å; F59-M77 PolarHBondContact O-N 2.83Å; F59-M77 VanDerWaalsContact O-N 3.13Å; F75-M77 HydrophobicContact CE1-CB 4.22Å; F75-M77 HydrophobicContact CE1-CG 3.97Å; F75-M77 HydrophobicContact CE2-CG 4.24Å; F75-M77 HydrophobicContact CE2-SD 4.39Å; F75-M77 HydrophobicContact CZ-CB 4.29Å; F75-M77 HydrophobicContact CZ-CG 3.63Å; F75-M77 HydrophobicContact CZ-SD 3.87Å; M77-V106 HydrophobicContact CE-CB 4.16Å; M77-V106 HydrophobicContact CE-CG1 3.64Å; M77-V106 HydrophobicContact CE-CG2 3.4Å; M77-V106 HydrophobicContact SD-CG2 4.16Å; M77-R114 HydrophobicContact SD-CB 4.06Å; M77-R114 WeakPolarHBondContact SD-CD 3.43Å; M77-R114 HydrophobicContact SD-CG 4.33Å
78Y98.8Very high97Very high63 Ų6351.1 Ų51.125%0.24727%0.268CS..EExtended strand (participates in β ladder)trans-78.7141.9158.7-62-64.7000110.2I57 E58 H76 I97 Q101 G105 V106I57-Y78 WeakPolarHBondContact O-CA 3.31Å; E58-Y78 HydrophobicContact CB-CD1 4.39Å; E58-Y78 HydrophobicContact CB-CE1 4.49Å; E58-Y78 HydrophobicContact CG-CD1 4.2Å; E58-Y78 HydrophobicContact CG-CE1 4.01Å; H76-Y78 AromaticContact CE1-CE2 3.99Å; H76-Y78 AromaticContact CE1-CZ 3.73Å; Y78-I97 HydrophobicContact CD1-CG2 4.05Å; Y78-I97 HydrophobicContact CE1-CD1 4.33Å; Y78-I97 HydrophobicContact CE1-CG1 4.08Å; Y78-I97 HydrophobicContact CE1-CG2 4.15Å; Y78-Q101 WeakPolarHBondContact CB-O 3.31Å; Y78-Q101 HydrophobicContact CD1-CB 4.44Å; Y78-Q101 HydrophobicContact CD2-CB 4.04Å; Y78-Q101 HydrophobicContact CD2-CG 4.36Å; Y78-Q101 HydrophobicContact CE2-CB 4.27Å; Y78-Q101 HydrophobicContact CE2-CG 4.18Å; Y78-Q101 HydrophobicContact CG-CB 4.14Å; Y78-Q101 PolarHBondContact OH-NE2 3.22Å; Y78-Q101 VanDerWaalsContact OH-NE2 3.08Å; Y78-G105 VanDerWaalsContact O-CA 3.31Å; Y78-G105 WeakPolarHBondContact O-CA 3.42Å; Y78-V106 PolarHBondContact O-N 3.2Å; Y78-V106 VanDerWaalsContact O-N 3.15Å
79V98.7Very high97.2Very high0 Ų056.6 Ų56.60%029%0.29CS..BIsolated β-bridgetrans-114136.2-177.4178.50000108.5I56 I57 F59 P81 V106 L108 C111I56-V79 HydrophobicContact CG2-CB 4.4Å; I56-V79 HydrophobicContact CG2-CG2 4.16Å; I56-V79 VanDerWaalsContact O-CB 3.3Å; I56-V79 WeakPolarHBondContact O-CB 3.42Å; I56-V79 WeakPolarHBondContact O-CG1 3.46Å; I57-V79 PolarHBondContact O-N 2.89Å; F59-V79 HydrophobicContact CB-CG2 3.97Å; V79-P81 WeakPolarHBondContact O-CD 3.27Å; V79-V106 CarbonylContact C-O 3.51Å; V79-V106 VanDerWaalsContact CA-O 3.27Å; V79-V106 WeakPolarHBondContact CA-O 3.29Å; V79-V106 WeakPolarHBondContact CG1-O 3.33Å; V79-L108 HydrophobicContact CG1-CB 3.97Å; V79-L108 HydrophobicContact CG1-CD1 4.42Å; V79-C111 HydrophobicContact CG2-CB 3.89Å
80Q98.3Very high97.2Very high67 Ų6757.7 Ų57.731%0.31329%0.291SS..  trans-85.2116.4178.5-173.5176.747.700109.8V102 V106Q80-V102 WeakPolarHBondContact CA-O 3.29Å; Q80-V102 WeakPolarHBondContact CB-O 3.4Å; Q80-V102 WeakPolarHBondContact CG-O 3.36Å; Q80-V106 PolarHBondContact N-O 2.85Å
81P97.6Very high97.3Very high3 Ų353.9 Ų53.92%0.01927%0.273CS..  trans-68.5146.3169.924.6-24.3000110.2T44 E55 I57 V79 L87T44-P81 HydrophobicContact CG2-CB 3.94Å; T44-P81 HydrophobicContact CG2-CG 4.15Å; E55-P81 HydrophobicContact CB-CB 4.02Å; E55-P81 HydrophobicContact CG-CB 4.49Å; E55-P81 WeakPolarHBondContact OE2-CB 3.46Å; I57-P81 HydrophobicContact CG2-CB 4.31Å; I57-P81 HydrophobicContact CG2-CG 3.9Å; V79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-L87 HydrophobicContact CG-CD2 4.48Å
82Q94.4Very high97.3Very high110 Ų11053.3 Ų53.351%0.51427%0.27SS..SBendtrans-123-22.9-168.8-59.2-179-8600112.7E55E55-Q82 PolarHBondContact OE1-N 3.07Å; E55-Q82 PolarHBondContact OE2-N 2.89Å
83E93.8Very high97.3Very high75 Ų7554.5 Ų54.535%0.3528%0.275SS..SBendtrans-94.9-38.8176.4-55.8170.8-164.700110.4E55 P85 R167E55-E83 PolarHBondContact OE1-N 3.03Å; E55-E83 VanDerWaalsContact OE1-N 3.1Å; E55-E83 WeakPolarHBondContact OE2-CB 3.46Å; E55-E83 PolarHBondContact OE2-N 3.44Å; E83-P85 VanDerWaalsContact C-CD 3.48Å; E83-R167 IonicContact OE1-CZ 2.7Å; E83-R167 IonicContact OE1-NH1 3.32Å; E83-R167 PolarHBondContact OE1-NH1 3.16Å; E83-R167 IonicContact OE1-NH2 3.4Å; E83-R167 PolarHBondContact OE1-NH2 3.1Å; E83-R167 IonicContact OE2-CZ 3.42Å; E83-R167 IonicContact OE2-NH1 3.84Å; E83-R167 PolarHBondContact OE2-NH1 3.36Å; E83-R167 IonicContact OE2-NH2 3.48Å; E83-R167 PolarHBondContact OE2-NH2 3.22Å
84H94.7Very high97.2Very high51 Ų5154.5 Ų54.524%0.23627%0.273CS..SBendtrans-125.669.4175.5-63.2-60.8000110.2W46 Y52 E55 V86W46-H84 HydrophobicContact CH2-CB 4.29Å; W46-H84 AromaticContact CH2-CD2 3.8Å; W46-H84 HydrophobicContact CZ2-CB 3.93Å; W46-H84 AromaticContact CZ2-CD2 3.98Å; W46-H84 AromaticContact CZ2-CG 3.82Å; Y52-H84 AromaticContact CD1-CE1 3.57Å; Y52-H84 AromaticContact CD1-NE2 3.53Å; Y52-H84 AromaticContact CG-NE2 3.78Å; E55-H84 PolarHBondContact OE2-N 2.93Å; H84-V86 PolarHBondContact O-N 3.42Å; H84-V86 VanDerWaalsContact O-N 3.16Å
85P95.9Very high97.2Very high68 Ų6850.9 Ų50.944%0.44226%0.256SS..  trans-68.1-12.7-17227.8-36.8000115.1E83 Q99E83-P85 VanDerWaalsContact C-CD 3.48Å; P85-Q99 PolarHBondContact O-NE2 2.92Å
86V97Very high97.2Very high106 Ų10651.5 Ų51.564%0.64227%0.267SS*.SBendtrans-105.7119.9176.4-178.20000108.8H84H84-V86 PolarHBondContact O-N 3.42Å; H84-V86 VanDerWaalsContact O-N 3.16Å
87L97.4Very high97.2Very high16 Ų1648.2 Ų48.28%0.08425%0.252CS..  trans-66.2147.6177.4-58.9-176.4000110.9T44 I57 P81 I97 V102T44-L87 HydrophobicContact CG2-CD2 4.13Å; I57-L87 HydrophobicContact CD1-CD1 4.46Å; I57-L87 HydrophobicContact CD1-CD2 3.96Å; I57-L87 HydrophobicContact CG2-CD2 4.18Å; P81-L87 HydrophobicContact CG-CD2 4.48Å; L87-I97 HydrophobicContact CD1-CG2 4.41Å; L87-I97 WeakPolarHBondContact CD1-O 3.45Å; L87-V102 HydrophobicContact CD1-CG1 4.07Å; L87-V102 HydrophobicContact CD1-CG2 3.92Å; L87-V102 HydrophobicContact CD2-CG1 4.36Å; L87-V102 HydrophobicContact CD2-CG2 4.23Å; L87-V102 HydrophobicContact CG-CG2 3.89Å
88S96.8Very high97.2Very high25 Ų2549.9 Ų49.918%0.17526%0.264CS..  trans-74.6153.8167.379.90000110.5C45 F90 C91 T92C45-S88 PolarHBondContact O-OG 2.71Å; S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 PolarHBondContact O-N 3.37Å; S88-C91 WeakPolarHBondContact O-CB 3.36Å; S88-C91 PolarHBondContact O-N 2.93Å; S88-C91 WeakPolarHBondContact OG-CB 3.49Å; S88-C91 PolarHBondContact OG-N 3.32Å; S88-T92 PolarHBondContact O-N 2.77Å; S88-T92 PolarHBondContact O-OG1 2.8Å; S88-T92 VanDerWaalsContact O-OG1 3.1Å
89E96.9Very high97.1Very high148 Ų14849 Ų4969%0.69226%0.262SS*.Hα-helixtrans-53.6-46.5171.6-178.2175.4-127.500110.7C91 T92 E93E89-C91 VanDerWaalsContact C-N 3.31Å; E89-C91 PolarHBondContact O-N 2.81Å; E89-T92 CarbonylContact O-C 3.55Å; E89-T92 WeakPolarHBondContact O-CA 3.16Å; E89-T92 WeakPolarHBondContact O-CB 3.16Å; E89-T92 PolarHBondContact O-N 3.11Å; E89-E93 HydrophobicContact CG-CG 4.48Å; E89-E93 WeakPolarHBondContact O-CG 3.32Å; E89-E93 PolarHBondContact O-N 3.23Å
90F97.1Very high97.1Very high37 Ų3754 Ų5416%0.16229%0.292CS..Hα-helixtrans-58.3-36.7174.3174.5-105.4000113.8W46 R47 S88 L94W46-F90 VanDerWaalsContact C-CD1 3.4Å; R47-F90 HydrophobicContact CB-CB 4.04Å; R47-F90 HydrophobicContact CB-CD1 4.35Å; R47-F90 HydrophobicContact CB-CD2 4.25Å; R47-F90 HydrophobicContact CB-CG 3.94Å; R47-F90 HydrophobicContact CG-CD2 4.18Å; R47-F90 HydrophobicContact CG-CG 4.38Å; S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 PolarHBondContact O-N 3.37Å; F90-L94 HydrophobicContact CE1-CD2 4.22Å; F90-L94 HydrophobicContact CZ-CD2 4.16Å; F90-L94 WeakPolarHBondContact O-CB 3.23Å; F90-L94 PolarHBondContact O-N 2.82Å
91C97.4Very high97.1Very high1 Ų153.4 Ų53.41%0.00729%0.289CS..Hα-helixtrans-68-38175.2-172.70000111.4C45 S88 E89 T95C45-C91 VanDerWaalsContact SG-CA 3.57Å; S88-C91 WeakPolarHBondContact O-CB 3.36Å; S88-C91 PolarHBondContact O-N 2.93Å; S88-C91 WeakPolarHBondContact OG-CB 3.49Å; S88-C91 PolarHBondContact OG-N 3.32Å; E89-C91 VanDerWaalsContact C-N 3.31Å; E89-C91 PolarHBondContact O-N 2.81Å; C91-T95 WeakPolarHBondContact O-CB 3.36Å; C91-T95 WeakPolarHBondContact O-CG2 3.4Å; C91-T95 PolarHBondContact O-N 2.9Å; C91-T95 PolarHBondContact O-OG1 3.41Å
92T97.7Very high97.1Very high49 Ų4953.3 Ų53.330%0.30129%0.289SS..Hα-helixtrans-70.9-43.4176.8-50.70000111.3S88 E89 G96S88-T92 PolarHBondContact O-N 2.77Å; S88-T92 PolarHBondContact O-OG1 2.8Å; S88-T92 VanDerWaalsContact O-OG1 3.1Å; E89-T92 CarbonylContact O-C 3.55Å; E89-T92 WeakPolarHBondContact O-CA 3.16Å; E89-T92 WeakPolarHBondContact O-CB 3.16Å; E89-T92 PolarHBondContact O-N 3.11Å; T92-G96 VanDerWaalsContact O-CA 3.22Å; T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.3Å
93E97.9Very high97.2Very high98 Ų9853.4 Ų53.446%0.45829%0.289SS..Hα-helixtrans-56.6-52.6171-74.2174.6174.800111.2R47 E89 R211R47-E93 IonicContact CZ-OE2 3.11Å; R47-E93 IonicContact NH1-OE2 3.31Å; R47-E93 PolarHBondContact NH1-OE2 2.96Å; R47-E93 VanDerWaalsContact NH2-CD 3.28Å; R47-E93 IonicContact NH2-OE1 2.7Å; R47-E93 PolarHBondContact NH2-OE1 3.33Å; R47-E93 VanDerWaalsContact NH2-OE1 3.11Å; R47-E93 IonicContact NH2-OE2 3.03Å; R47-E93 PolarHBondContact NH2-OE2 3.13Å; E89-E93 HydrophobicContact CG-CG 4.48Å; E89-E93 WeakPolarHBondContact O-CG 3.32Å; E89-E93 PolarHBondContact O-N 3.23Å; E93-R211 PolarHBondContact O-NH2 2.68Å
94L97.1Very high97.4Very high34 Ų3454 Ų5418%0.17831%0.306CS..Hα-helixtrans-65.7-54.8-174.7-175.867.1000110.5F90 R211 H213F90-L94 HydrophobicContact CE1-CD2 4.22Å; F90-L94 HydrophobicContact CZ-CD2 4.16Å; F90-L94 WeakPolarHBondContact O-CB 3.23Å; F90-L94 PolarHBondContact O-N 2.82Å; L94-R211 VanDerWaalsContact O-CZ 3.3Å; L94-R211 PolarHBondContact O-NH1 2.89Å; L94-R211 PolarHBondContact O-NH2 2.77Å; L94-H213 VanDerWaalsContact CD1-CD2 3.47Å; L94-H213 WeakPolarHBondContact CD1-CD2 3.25Å; L94-H213 HydrophobicContact CG-CB 4.27Å; L94-H213 VanDerWaalsContact O-CB 3.3Å; L94-H213 WeakPolarHBondContact O-CB 3.34Å
95T97.9Very high97.5Very high2 Ų252.1 Ų52.11%0.01230%0.302CS..Hα-helixtrans-89.4-20.3-17068.70000114.5E42 C91 I97 R211 H213E42-T95 HydrophobicContact CB-CG2 4.15Å; E42-T95 HydrophobicContact CG-CG2 4.12Å; E42-T95 VanDerWaalsContact OE2-CG2 3.26Å; E42-T95 WeakPolarHBondContact OE2-CG2 3.02Å; C91-T95 WeakPolarHBondContact O-CB 3.36Å; C91-T95 WeakPolarHBondContact O-CG2 3.4Å; C91-T95 PolarHBondContact O-N 2.9Å; C91-T95 PolarHBondContact O-OG1 3.41Å; T95-I97 PolarHBondContact O-N 2.93Å; T95-I97 WeakPolarHBondContact OG1-CB 3.2Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.43Å; T95-I97 PolarHBondContact OG1-N 3.45Å; T95-I97 VanDerWaalsContact OG1-N 3.16Å; T95-R211 VanDerWaalsContact C-CZ 3.45Å; T95-R211 PolarHBondContact O-NH1 3.46Å; T95-R211 VanDerWaalsContact O-NH1 3.15Å; T95-H213 CarbonylContact C-O 3.5Å; T95-H213 WeakPolarHBondContact CA-O 3.35Å
96G98.1Very high97.6Very high31 Ų3149.9 Ų49.932%0.3229%0.286SS..  trans69.91.4-170.400000114.1T92 T98T92-G96 VanDerWaalsContact O-CA 3.22Å; T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.3Å; G96-T98 PolarHBondContact O-N 3.37Å
97I98.5Very high97.7Very high3 Ų346.9 Ų46.92%0.01527%0.269CS..  trans-79.2117.4177.6-55.7169.2000108.1E42 I57 E58 Y78 L87 T95 Q101 V102E42-I97 HydrophobicContact CB-CD1 3.71Å; E42-I97 HydrophobicContact CG-CD1 4.21Å; I57-I97 HydrophobicContact CD1-CB 4.48Å; I57-I97 HydrophobicContact CD1-CD1 3.83Å; I57-I97 HydrophobicContact CG1-CD1 3.81Å; E58-I97 HydrophobicContact CB-CD1 3.82Å; Y78-I97 HydrophobicContact CD1-CG2 4.05Å; Y78-I97 HydrophobicContact CE1-CD1 4.33Å; Y78-I97 HydrophobicContact CE1-CG1 4.08Å; Y78-I97 HydrophobicContact CE1-CG2 4.15Å; L87-I97 HydrophobicContact CD1-CG2 4.41Å; L87-I97 WeakPolarHBondContact CD1-O 3.45Å; T95-I97 PolarHBondContact O-N 2.93Å; T95-I97 WeakPolarHBondContact OG1-CB 3.2Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.43Å; T95-I97 PolarHBondContact OG1-N 3.45Å; T95-I97 VanDerWaalsContact OG1-N 3.16Å; I97-Q101 HydrophobicContact CG2-CB 4.03Å; I97-V102 HydrophobicContact CG2-CG1 3.75Å
98T98.4Very high97.7Very high60 Ų6046.1 Ų46.137%0.36827%0.265SS..  trans-79.515617865.70000112.1G96 V100 Q101 V102G96-T98 PolarHBondContact O-N 3.37Å; T98-V100 PolarHBondContact O-N 2.87Å; T98-Q101 WeakPolarHBondContact O-CB 3.44Å; T98-Q101 PolarHBondContact O-N 3.2Å; T98-Q101 PolarHBondContact OG1-N 2.94Å; T98-Q101 PolarHBondContact OG1-OE1 3.2Å; T98-V102 PolarHBondContact O-N 2.86Å
99Q98.4Very high97.8Very high45 Ų4551 Ų5121%0.2129%0.285CS..Hα-helixtrans-50.7-40173.1-17660.726.600112.5P85 Q101 V102 E103P85-Q99 PolarHBondContact O-NE2 2.92Å; Q99-Q101 VanDerWaalsContact C-N 3.31Å; Q99-Q101 PolarHBondContact O-N 3.34Å; Q99-V102 WeakPolarHBondContact O-CG2 3.49Å; Q99-V102 PolarHBondContact O-N 3.49Å; Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.41Å; Q99-E103 PolarHBondContact NE2-OE1 3.07Å; Q99-E103 WeakPolarHBondContact O-CB 3.45Å; Q99-E103 WeakPolarHBondContact O-CG 3.36Å; Q99-E103 PolarHBondContact O-N 3.39Å
100V98.2Very high97.8Very high105 Ų10547.5 Ų47.564%0.63627%0.27SS*.Hα-helixtrans-64.2-33178.7-178.30000112.3T98 A104T98-V100 PolarHBondContact O-N 2.87Å; V100-A104 VanDerWaalsContact O-CB 3.29Å; V100-A104 WeakPolarHBondContact O-CB 3.4Å; V100-A104 PolarHBondContact O-N 3.19Å
101Q98.1Very high97.9Very high54 Ų5445.7 Ų45.725%0.25226%0.263SS..Hα-helixtrans-70.7-36.7178-74.7159.2-91.100112.5Y78 I97 T98 Q99 G105Y78-Q101 WeakPolarHBondContact CB-O 3.31Å; Y78-Q101 HydrophobicContact CD1-CB 4.44Å; Y78-Q101 HydrophobicContact CD2-CB 4.04Å; Y78-Q101 HydrophobicContact CD2-CG 4.36Å; Y78-Q101 HydrophobicContact CE2-CB 4.27Å; Y78-Q101 HydrophobicContact CE2-CG 4.18Å; Y78-Q101 HydrophobicContact CG-CB 4.14Å; Y78-Q101 PolarHBondContact OH-NE2 3.22Å; Y78-Q101 VanDerWaalsContact OH-NE2 3.08Å; I97-Q101 HydrophobicContact CG2-CB 4.03Å; T98-Q101 WeakPolarHBondContact O-CB 3.44Å; T98-Q101 PolarHBondContact O-N 3.2Å; T98-Q101 PolarHBondContact OG1-N 2.94Å; T98-Q101 PolarHBondContact OG1-OE1 3.2Å; Q99-Q101 VanDerWaalsContact C-N 3.31Å; Q99-Q101 PolarHBondContact O-N 3.34Å; Q101-G105 PolarHBondContact O-N 2.76Å; Q101-G105 VanDerWaalsContact O-N 3.11Å
102V97.4Very high97.9Very high1 Ų146 Ų461%0.00626%0.264CS..Hα-helixtrans-79.4-31.6176.2-63.50000112.6I57 Q80 L87 I97 T98 Q99 G105I57-V102 HydrophobicContact CB-CG1 3.8Å; I57-V102 HydrophobicContact CG2-CG1 4.12Å; Q80-V102 WeakPolarHBondContact CA-O 3.29Å; Q80-V102 WeakPolarHBondContact CB-O 3.4Å; Q80-V102 WeakPolarHBondContact CG-O 3.36Å; L87-V102 HydrophobicContact CD1-CG1 4.07Å; L87-V102 HydrophobicContact CD1-CG2 3.92Å; L87-V102 HydrophobicContact CD2-CG1 4.36Å; L87-V102 HydrophobicContact CD2-CG2 4.23Å; L87-V102 HydrophobicContact CG-CG2 3.89Å; I97-V102 HydrophobicContact CG2-CG1 3.75Å; T98-V102 PolarHBondContact O-N 2.86Å; Q99-V102 WeakPolarHBondContact O-CG2 3.49Å; Q99-V102 PolarHBondContact O-N 3.49Å; V102-G105 WeakPolarHBondContact O-CA 3.23Å; V102-G105 PolarHBondContact O-N 2.79Å
103E97.4Very high97.9Very high113 Ų11347.3 Ų47.353%0.52828%0.275SS..Hα-helixtrans-67-35.2171.9-74.9174.1178.500112.6Q99 G105Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.41Å; Q99-E103 PolarHBondContact NE2-OE1 3.07Å; Q99-E103 WeakPolarHBondContact O-CB 3.45Å; Q99-E103 WeakPolarHBondContact O-CG 3.36Å; Q99-E103 PolarHBondContact O-N 3.39Å; E103-G105 VanDerWaalsContact C-N 3.27Å
104A97.1Very high97.9Very high86 Ų8647.8 Ų47.871%0.71127%0.273SS*.THydrogen-bonded Turntrans-81.8-2.2169.300000113.7V100V100-A104 VanDerWaalsContact O-CB 3.29Å; V100-A104 WeakPolarHBondContact O-CB 3.4Å; V100-A104 PolarHBondContact O-N 3.19Å
105G97.4Very high98Very high13 Ų1346.2 Ų46.213%0.13426%0.264CS..SBendtrans-70.5175.217700000112.9Y78 Q101 V102 E103Y78-G105 VanDerWaalsContact O-CA 3.31Å; Y78-G105 WeakPolarHBondContact O-CA 3.42Å; Q101-G105 PolarHBondContact O-N 2.76Å; Q101-G105 VanDerWaalsContact O-N 3.11Å; V102-G105 WeakPolarHBondContact O-CA 3.23Å; V102-G105 PolarHBondContact O-N 2.79Å; E103-G105 VanDerWaalsContact C-N 3.27Å
106V98.1Very high97.9Very high20 Ų2048.4 Ų48.412%0.12128%0.276CS..BIsolated β-bridgetrans-108.9149.2173-55.20000111.2M77 Y78 V79 Q80 I110 C111M77-V106 HydrophobicContact CE-CB 4.16Å; M77-V106 HydrophobicContact CE-CG1 3.64Å; M77-V106 HydrophobicContact CE-CG2 3.4Å; M77-V106 HydrophobicContact SD-CG2 4.16Å; Y78-V106 PolarHBondContact O-N 3.2Å; Y78-V106 VanDerWaalsContact O-N 3.15Å; V79-V106 CarbonylContact C-O 3.51Å; V79-V106 VanDerWaalsContact CA-O 3.27Å; V79-V106 WeakPolarHBondContact CA-O 3.29Å; V79-V106 WeakPolarHBondContact CG1-O 3.33Å; Q80-V106 PolarHBondContact N-O 2.85Å; V106-I110 HydrophobicContact CB-CB 4.08Å; V106-I110 HydrophobicContact CB-CG2 4.04Å; V106-I110 HydrophobicContact CG1-CG2 4.36Å; V106-I110 HydrophobicContact CG2-CB 4.07Å; V106-I110 HydrophobicContact CG2-CG2 4.12Å; V106-C111 HydrophobicContact CG2-CB 3.84Å
107P98.1Very high97.9Very high43 Ų4354.1 Ų54.128%0.27929%0.288SS..  trans-56.6144.3171-26.135.2000111.8Q109 I110 C111P107-Q109 PolarHBondContact O-N 2.89Å; P107-I110 WeakPolarHBondContact O-CA 3.48Å; P107-I110 WeakPolarHBondContact O-CB 3.42Å; P107-I110 PolarHBondContact O-N 3.24Å; P107-C111 PolarHBondContact O-N 2.97Å
108L98.4Very high97.9Very high0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-50.8-38.1-172.1177.862.3000113.7I56 F59 V79 I110 C111 L112 L161 E164 L170I56-L108 HydrophobicContact CD1-CD1 4.18Å; I56-L108 HydrophobicContact CD1-CD2 4.5Å; F59-L108 HydrophobicContact CD2-CD1 4.17Å; F59-L108 HydrophobicContact CE2-CD1 4.39Å; V79-L108 HydrophobicContact CG1-CB 3.97Å; V79-L108 HydrophobicContact CG1-CD1 4.42Å; L108-I110 VanDerWaalsContact C-N 3.28Å; L108-I110 PolarHBondContact O-N 3.48Å; L108-C111 WeakPolarHBondContact O-CB 3.41Å; L108-C111 PolarHBondContact O-N 3.4Å; L108-C111 VanDerWaalsContact O-N 3.12Å; L108-L112 HydrophobicContact CD1-CD1 4.25Å; L108-L112 HydrophobicContact CD1-CG 4.01Å; L108-L112 HydrophobicContact CD2-CD1 4.43Å; L108-L112 HydrophobicContact CG-CD1 3.95Å; L108-L112 HydrophobicContact CG-CG 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.13Å; L108-L112 PolarHBondContact O-N 3.45Å; L108-L161 HydrophobicContact CD1-CD1 4.45Å; L108-L161 HydrophobicContact CD2-CD1 4.17Å; L108-E164 HydrophobicContact CD2-CB 4.45Å; L108-E164 HydrophobicContact CD2-CG 4.03Å; L108-E164 WeakPolarHBondContact CD2-OE1 3.42Å; L108-L170 HydrophobicContact CB-CD1 4.3Å; L108-L170 HydrophobicContact CD2-CD1 4.21Å; L108-L170 HydrophobicContact CG-CD1 4.26Å
109Q97.6Very high97.7Very high127 Ų12752.8 Ų52.859%0.59328%0.276SS*.Hα-helixtrans-57.4-39176.5-171.9-179.37.600113P107 S113 L170P107-Q109 PolarHBondContact O-N 2.89Å; Q109-S113 WeakPolarHBondContact O-CB 3.27Å; Q109-S113 PolarHBondContact O-N 2.87Å; Q109-S113 VanDerWaalsContact O-N 3.07Å; Q109-L170 HydrophobicContact CB-CD1 4.13Å; Q109-L170 HydrophobicContact CB-CD2 3.87Å; Q109-L170 HydrophobicContact CG-CD2 3.97Å
110I98.1Very high97.6Very high75 Ų7555.7 Ų55.739%0.38529%0.29SS..Hα-helixtrans-74.6-36.4177.3-55.4-56.7000110.4V106 P107 L108 S113 R114V106-I110 HydrophobicContact CB-CB 4.08Å; V106-I110 HydrophobicContact CB-CG2 4.04Å; V106-I110 HydrophobicContact CG1-CG2 4.36Å; V106-I110 HydrophobicContact CG2-CB 4.07Å; V106-I110 HydrophobicContact CG2-CG2 4.12Å; P107-I110 WeakPolarHBondContact O-CA 3.48Å; P107-I110 WeakPolarHBondContact O-CB 3.42Å; P107-I110 PolarHBondContact O-N 3.24Å; L108-I110 VanDerWaalsContact C-N 3.28Å; L108-I110 PolarHBondContact O-N 3.48Å; I110-S113 PolarHBondContact O-N 3.2Å; I110-R114 VanDerWaalsContact O-CG 3.31Å; I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 3.12Å
111C98.5Very high97.5Very high0 Ų054.3 Ų54.30%028%0.279CS..Hα-helixtrans-61.7-49.7173.5-168.30000111.3F59 V79 V106 P107 L108 S113 R114 F115F59-C111 VanDerWaalsContact CB-SG 3.5Å; V79-C111 HydrophobicContact CG2-CB 3.89Å; V106-C111 HydrophobicContact CG2-CB 3.84Å; P107-C111 PolarHBondContact O-N 2.97Å; L108-C111 WeakPolarHBondContact O-CB 3.41Å; L108-C111 PolarHBondContact O-N 3.4Å; L108-C111 VanDerWaalsContact O-N 3.12Å; C111-S113 VanDerWaalsContact C-N 3.31Å; C111-S113 PolarHBondContact O-N 3.15Å; C111-R114 PolarHBondContact O-N 3.36Å; C111-R114 VanDerWaalsContact O-N 3.15Å; C111-F115 WeakPolarHBondContact O-CB 3.4Å; C111-F115 PolarHBondContact O-N 2.89Å
112L98.3Very high97.3Very high8 Ų852.1 Ų52.14%0.04227%0.269CS..Hα-helixtrans-59.7-38.8176-70.9171.1000112.4F59 L108 F115 N116 L161 P173F59-L112 HydrophobicContact CE2-CD2 3.75Å; F59-L112 HydrophobicContact CZ-CD2 4.09Å; L108-L112 HydrophobicContact CD1-CD1 4.25Å; L108-L112 HydrophobicContact CD1-CG 4.01Å; L108-L112 HydrophobicContact CD2-CD1 4.43Å; L108-L112 HydrophobicContact CG-CD1 3.95Å; L108-L112 HydrophobicContact CG-CG 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.13Å; L108-L112 PolarHBondContact O-N 3.45Å; L112-F115 PolarHBondContact O-N 3.32Å; L112-N116 WeakPolarHBondContact O-CB 3.43Å; L112-N116 PolarHBondContact O-N 2.84Å; L112-N116 PolarHBondContact O-ND2 2.9Å; L112-L161 HydrophobicContact CD1-CD1 4.37Å; L112-L161 HydrophobicContact CD2-CD1 4.11Å; L112-P173 HydrophobicContact CD2-CG 4.3Å
113S97.6Very high97.1Very high75 Ų7555.5 Ų55.552%0.52429%0.285SS..Hα-helixtrans-63.3-44.9173.9-179.20000112.3Q109 I110 C111 R117Q109-S113 WeakPolarHBondContact O-CB 3.27Å; Q109-S113 PolarHBondContact O-N 2.87Å; Q109-S113 VanDerWaalsContact O-N 3.07Å; I110-S113 PolarHBondContact O-N 3.2Å; C111-S113 VanDerWaalsContact C-N 3.31Å; C111-S113 PolarHBondContact O-N 3.15Å; S113-R117 PolarHBondContact O-N 2.96Å; S113-R117 VanDerWaalsContact O-N 3.16Å
114R98.4Very high96.8Very high109 Ų10956.9 Ų56.941%0.41130%0.295SS..Hα-helixtrans-66.6-39.4176.8-70.8172.9178.9-153.76.9112F75 M77 I110 C111 R117 W118F75-R114 HydrophobicContact CE2-CB 4.09Å; F75-R114 HydrophobicContact CZ-CB 4.31Å; M77-R114 HydrophobicContact SD-CB 4.06Å; M77-R114 WeakPolarHBondContact SD-CD 3.43Å; M77-R114 HydrophobicContact SD-CG 4.33Å; I110-R114 VanDerWaalsContact O-CG 3.31Å; I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 3.12Å; C111-R114 PolarHBondContact O-N 3.36Å; C111-R114 VanDerWaalsContact O-N 3.15Å; R114-R117 PolarHBondContact O-N 2.89Å; R114-W118 PolarHBondContact O-N 2.99Å
115F98.3Very high96.6Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-63.7-48.5175.4175.9-99.6000111.8I39 F59 A61 F75 C111 L112 R117 W118 V119 F149 L176I39-F115 HydrophobicContact CD1-CE2 4.43Å; I39-F115 HydrophobicContact CD1-CZ 4.05Å; F59-F115 HydrophobicContact CD1-CD2 4.28Å; F59-F115 HydrophobicContact CE1-CB 4.32Å; F59-F115 HydrophobicContact CE1-CD1 4.35Å; F59-F115 AromaticContact CE1-CD2 3.52Å; F59-F115 HydrophobicContact CE1-CD2 3.52Å; F59-F115 AromaticContact CE1-CE2 3.82Å; F59-F115 HydrophobicContact CE1-CE2 3.82Å; F59-F115 AromaticContact CE1-CG 3.8Å; F59-F115 HydrophobicContact CE1-CG 3.8Å; F59-F115 HydrophobicContact CE1-CZ 4.34Å; F59-F115 HydrophobicContact CZ-CD1 4.28Å; F59-F115 HydrophobicContact CZ-CD2 4.25Å; F59-F115 HydrophobicContact CZ-CG 4.09Å; A61-F115 HydrophobicContact CB-CD2 4.48Å; A61-F115 HydrophobicContact CB-CE2 3.74Å; F75-F115 AromaticContact CD1-CD2 3.88Å; F75-F115 HydrophobicContact CD1-CD2 3.88Å; F75-F115 HydrophobicContact CE1-CB 4.06Å; F75-F115 HydrophobicContact CE1-CD2 4.07Å; F75-F115 HydrophobicContact CE2-CB 4.1Å; F75-F115 HydrophobicContact CG-CD2 4.13Å; F75-F115 HydrophobicContact CZ-CB 3.76Å; F75-F115 HydrophobicContact CZ-CD2 4.47Å; C111-F115 WeakPolarHBondContact O-CB 3.4Å; C111-F115 PolarHBondContact O-N 2.89Å; L112-F115 PolarHBondContact O-N 3.32Å; F115-R117 PolarHBondContact O-N 3.23Å; F115-W118 HydrophobicContact CD2-CE3 4.05Å; F115-W118 HydrophobicContact CD2-CZ3 4.37Å; F115-W118 AromaticContact CE2-CE3 3.86Å; F115-W118 HydrophobicContact CE2-CE3 3.86Å; F115-W118 AromaticContact CE2-CZ3 3.76Å; F115-W118 HydrophobicContact CE2-CZ3 3.76Å; F115-W118 HydrophobicContact CZ-CZ3 4.46Å; F115-W118 WeakPolarHBondContact O-CA 3.43Å; F115-W118 WeakPolarHBondContact O-CB 3.31Å; F115-W118 PolarHBondContact O-N 2.83Å; F115-V119 HydrophobicContact CD1-CG2 4.24Å; F115-V119 HydrophobicContact CE1-CG2 3.78Å; F115-V119 HydrophobicContact CE2-CG2 4.23Å; F115-V119 HydrophobicContact CZ-CG2 3.79Å; F115-V119 WeakPolarHBondContact O-CG2 3.11Å; F115-V119 PolarHBondContact O-N 3.04Å; F115-F149 HydrophobicContact CE1-CE1 4.41Å; F115-F149 AromaticContact CZ-CE1 3.83Å; F115-F149 HydrophobicContact CZ-CE1 3.83Å; F115-F149 HydrophobicContact CZ-CZ 4.49Å; F115-L176 HydrophobicContact CD1-CD1 4.42Å; F115-L176 HydrophobicContact CE1-CD1 3.92Å; F115-L176 HydrophobicContact CE1-CD2 3.93Å; F115-L176 HydrophobicContact CE1-CG 4.2Å; F115-L176 HydrophobicContact CZ-CD2 4.13Å
116N96.6Very high96.2Very high49 Ų4960.9 Ų60.926%0.26230%0.299SS..Hα-helixtrans-57.6-39.4176.3-74.6-14.3000111.7L112 V119 Q120 P173L112-N116 WeakPolarHBondContact O-CB 3.43Å; L112-N116 PolarHBondContact O-N 2.84Å; L112-N116 PolarHBondContact O-ND2 2.9Å; N116-V119 PolarHBondContact O-N 3.29Å; N116-Q120 WeakPolarHBondContact O-CB 3.26Å; N116-Q120 VanDerWaalsContact O-CG 3.26Å; N116-Q120 WeakPolarHBondContact O-CG 3.22Å; N116-Q120 PolarHBondContact O-N 2.84Å; N116-P173 VanDerWaalsContact OD1-CG 3.32Å; N116-P173 WeakPolarHBondContact OD1-CG 3.49Å
117R97Very high95.8Very high151 Ų15161.5 Ų61.557%0.5731%0.31SS*.Hα-helixtrans-67.1-38.3174.5-174.5176.363.1-173.50.7112.6S113 R114 F115 Q120 N121S113-R117 PolarHBondContact O-N 2.96Å; S113-R117 VanDerWaalsContact O-N 3.16Å; R114-R117 PolarHBondContact O-N 2.89Å; F115-R117 PolarHBondContact O-N 3.23Å; R117-Q120 PolarHBondContact O-N 2.87Å; R117-N121 PolarHBondContact O-N 3.27Å; R117-N121 PolarHBondContact O-OD1 3.28Å
118W97.8Very high95.4Very high29 Ų2959.5 Ų59.511%0.1130%0.297CS..Hα-helixtrans-61.6-46.9172.3173.280.3000111I37 A61 L63 S73 F75 R114 F115 Q120 N121 L122I37-W118 HydrophobicContact CD1-CH2 4.33Å; I37-W118 HydrophobicContact CD1-CZ3 4.03Å; I37-W118 HydrophobicContact CG1-CH2 4.38Å; I37-W118 HydrophobicContact CG1-CZ3 4.49Å; I37-W118 HydrophobicContact CG2-CH2 4.01Å; I37-W118 HydrophobicContact CG2-CZ3 3.91Å; A61-W118 HydrophobicContact CB-CH2 3.96Å; A61-W118 HydrophobicContact CB-CZ3 3.88Å; L63-W118 HydrophobicContact CB-CH2 4.39Å; L63-W118 HydrophobicContact CB-CZ2 4.3Å; S73-W118 PolarHBondContact OG-NE1 3.02Å; F75-W118 HydrophobicContact CB-CD2 3.7Å; F75-W118 HydrophobicContact CB-CE3 3.94Å; F75-W118 HydrophobicContact CB-CG 4.08Å; F75-W118 HydrophobicContact CB-CH2 4.33Å; F75-W118 HydrophobicContact CB-CZ2 4.11Å; F75-W118 HydrophobicContact CB-CZ3 4.26Å; F75-W118 HydrophobicContact CD2-CB 3.87Å; F75-W118 HydrophobicContact CD2-CD2 4.41Å; F75-W118 HydrophobicContact CD2-CG 4.04Å; F75-W118 HydrophobicContact CG-CD2 4.4Å; F75-W118 HydrophobicContact CG-CG 4.48Å; R114-W118 PolarHBondContact O-N 2.99Å; F115-W118 HydrophobicContact CD2-CE3 4.05Å; F115-W118 HydrophobicContact CD2-CZ3 4.37Å; F115-W118 AromaticContact CE2-CE3 3.86Å; F115-W118 HydrophobicContact CE2-CE3 3.86Å; F115-W118 AromaticContact CE2-CZ3 3.76Å; F115-W118 HydrophobicContact CE2-CZ3 3.76Å; F115-W118 HydrophobicContact CZ-CZ3 4.46Å; F115-W118 WeakPolarHBondContact O-CA 3.43Å; F115-W118 WeakPolarHBondContact O-CB 3.31Å; F115-W118 PolarHBondContact O-N 2.83Å; W118-Q120 PolarHBondContact O-N 3.07Å; W118-N121 PolarHBondContact O-N 2.92Å; W118-L122 HydrophobicContact CD2-CD1 4.1Å; W118-L122 HydrophobicContact CD2-CG 4.49Å; W118-L122 HydrophobicContact CE3-CD1 4.17Å; W118-L122 HydrophobicContact CH2-CD1 3.81Å; W118-L122 HydrophobicContact CZ2-CD1 3.71Å; W118-L122 HydrophobicContact CZ3-CD1 4.03Å; W118-L122 WeakPolarHBondContact O-CG 3.29Å; W118-L122 PolarHBondContact O-N 3.11Å
119V96Very high95.1Very high5 Ų562 Ų623%0.0331%0.309CS..Hα-helixtrans-57.3-46.6174.4175.90000111.2I37 F115 N116 N121 L122 Q123 F130I37-V119 HydrophobicContact CD1-CG2 4.48Å; F115-V119 HydrophobicContact CD1-CG2 4.24Å; F115-V119 HydrophobicContact CE1-CG2 3.78Å; F115-V119 HydrophobicContact CE2-CG2 4.23Å; F115-V119 HydrophobicContact CZ-CG2 3.79Å; F115-V119 WeakPolarHBondContact O-CG2 3.11Å; F115-V119 PolarHBondContact O-N 3.04Å; N116-V119 PolarHBondContact O-N 3.29Å; V119-N121 PolarHBondContact O-N 3.44Å; V119-L122 WeakPolarHBondContact O-CB 3.17Å; V119-L122 PolarHBondContact O-N 3Å; V119-L122 VanDerWaalsContact O-N 3.1Å; V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 2.83Å; V119-F130 HydrophobicContact CG1-CE2 3.48Å; V119-F130 VanDerWaalsContact CG1-CE2 3.48Å; V119-F130 HydrophobicContact CG1-CZ 3.72Å
120Q94.8Very high94.7Very high106 Ų10657.1 Ų57.150%0.49529%0.286SS..Hα-helixtrans-58.5-42.8176.7-75166.7-9.400112.6N116 R117 W118 L122 Q123 L124N116-Q120 WeakPolarHBondContact O-CB 3.26Å; N116-Q120 VanDerWaalsContact O-CG 3.26Å; N116-Q120 WeakPolarHBondContact O-CG 3.22Å; N116-Q120 PolarHBondContact O-N 2.84Å; R117-Q120 PolarHBondContact O-N 2.87Å; W118-Q120 PolarHBondContact O-N 3.07Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 2.96Å; Q120-Q123 WeakPolarHBondContact O-CB 3.48Å; Q120-Q123 PolarHBondContact O-N 2.96Å; Q120-Q123 VanDerWaalsContact O-N 3.14Å; Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.9Å; Q120-L124 VanDerWaalsContact O-N 3.09Å
121N96.1Very high93.9Very high77 Ų7757.6 Ų57.641%0.41229%0.294SS..Hα-helixtrans-60.8-41.7174.5-69.79.2000111.3R117 W118 V119 Q123 L124 D125R117-N121 PolarHBondContact O-N 3.27Å; R117-N121 PolarHBondContact O-OD1 3.28Å; W118-N121 PolarHBondContact O-N 2.92Å; V119-N121 PolarHBondContact O-N 3.44Å; N121-Q123 VanDerWaalsContact C-N 3.29Å; N121-Q123 PolarHBondContact O-N 3.09Å; N121-L124 PolarHBondContact O-N 2.94Å; N121-D125 WeakPolarHBondContact O-CB 3.48Å; N121-D125 VanDerWaalsContact O-CG 3.26Å; N121-D125 PolarHBondContact O-N 3.18Å
122L95Very high92.7Very high7 Ų762.7 Ų62.74%0.03732%0.321CS..Hα-helixtrans-61.8-35.5174.6-60.5-178.5000112.8I37 L63 W118 V119 Q120 K126 G127 V128I37-L122 HydrophobicContact CD1-CD1 4.17Å; L63-L122 HydrophobicContact CB-CD1 4.39Å; L63-L122 HydrophobicContact CD1-CD1 4.07Å; L63-L122 HydrophobicContact CD2-CD1 3.91Å; L63-L122 HydrophobicContact CD2-CD2 3.85Å; L63-L122 HydrophobicContact CD2-CG 4.42Å; L63-L122 HydrophobicContact CG-CD1 4.35Å; W118-L122 HydrophobicContact CD2-CD1 4.1Å; W118-L122 HydrophobicContact CD2-CG 4.49Å; W118-L122 HydrophobicContact CE3-CD1 4.17Å; W118-L122 HydrophobicContact CH2-CD1 3.81Å; W118-L122 HydrophobicContact CZ2-CD1 3.71Å; W118-L122 HydrophobicContact CZ3-CD1 4.03Å; W118-L122 WeakPolarHBondContact O-CG 3.29Å; W118-L122 PolarHBondContact O-N 3.11Å; V119-L122 WeakPolarHBondContact O-CB 3.17Å; V119-L122 PolarHBondContact O-N 3Å; V119-L122 VanDerWaalsContact O-N 3.1Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 2.96Å; L122-K126 HydrophobicContact CD2-CD 4.23Å; L122-K126 WeakPolarHBondContact O-CB 3.37Å; L122-K126 PolarHBondContact O-N 2.98Å; L122-G127 PolarHBondContact O-N 3.12Å; L122-V128 HydrophobicContact CB-CG2 3.95Å
123Q92.8Very high90.6Very high72 Ų7269.3 Ų69.334%0.33635%0.35SS..Hα-helixtrans-64.6-41.4175.5-61.9-175.4-87.500111.2V119 Q120 N121 G127 V128 F130V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 WeakPolarHBondContact O-CB 3.48Å; Q120-Q123 PolarHBondContact O-N 2.96Å; Q120-Q123 VanDerWaalsContact O-N 3.14Å; N121-Q123 VanDerWaalsContact C-N 3.29Å; N121-Q123 PolarHBondContact O-N 3.09Å; Q123-G127 WeakPolarHBondContact O-CA 3.15Å; Q123-G127 PolarHBondContact O-N 3.08Å; Q123-G127 VanDerWaalsContact O-N 3.14Å; Q123-V128 HydrophobicContact CG-CG2 4.03Å; Q123-V128 WeakPolarHBondContact CG-O 3.44Å; Q123-F130 HydrophobicContact CG-CE2 4.24Å
124L91.9Very high88.4Confident143 Ų14374 Ų7475%0.74936%0.363SS*.Hα-helixtrans-72-54.1177.5-64.1171.5000112.3Q120 N121Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.9Å; Q120-L124 VanDerWaalsContact O-N 3.09Å; N121-L124 PolarHBondContact O-N 2.94Å
125D92Very high86.2Confident130 Ų13074.9 Ų74.970%0.69537%0.372SS*.Hα-helixtrans-75.7-34.4-169.6-62.8-25.1000113N121N121-D125 WeakPolarHBondContact O-CB 3.48Å; N121-D125 VanDerWaalsContact O-CG 3.26Å; N121-D125 PolarHBondContact O-N 3.18Å
126K88.8Confident83.4Confident52 Ų5280.9 Ų80.923%0.22641%0.409CS..Hα-helixtrans-112.1-13.7-175.8-65.4179.6-175.6-740113.5Y35 L63 E72 L122 V128 K145Y35-K126 HydrophobicContact CE1-CD 4.36Å; L63-K126 HydrophobicContact CD2-CD 3.55Å; E72-K126 IonicContact OE2-NZ 2.69Å; E72-K126 PolarHBondContact OE2-NZ 3.18Å; L122-K126 HydrophobicContact CD2-CD 4.23Å; L122-K126 WeakPolarHBondContact O-CB 3.37Å; L122-K126 PolarHBondContact O-N 2.98Å; K126-V128 HydrophobicContact CB-CG1 3.98Å; K126-K145 WeakPolarHBondContact O-CD 3.36Å; K126-K145 WeakPolarHBondContact O-CE 3.41Å; K126-K145 PolarHBondContact O-NZ 3.11Å
127G89.8Confident80.9Confident34 Ų3485.1 Ų85.135%0.35144%0.44SS..  trans73.728.9-177.200000113.8L122 Q123L122-G127 PolarHBondContact O-N 3.12Å; Q123-G127 WeakPolarHBondContact O-CA 3.15Å; Q123-G127 PolarHBondContact O-N 3.08Å; Q123-G127 VanDerWaalsContact O-N 3.14Å
128V90.8Very high78.5Confident0 Ų083.1 Ų83.10%045%0.45CS..EExtended strand (participates in β ladder)trans-75.1138-178.7-53.20000111.7Y35 L122 Q123 K126 F130 K145 C147Y35-V128 HydrophobicContact CD2-CG1 3.61Å; Y35-V128 HydrophobicContact CE2-CG1 4.04Å; Y35-V128 HydrophobicContact CG-CG1 3.95Å; L122-V128 HydrophobicContact CB-CG2 3.95Å; Q123-V128 HydrophobicContact CG-CG2 4.03Å; Q123-V128 WeakPolarHBondContact CG-O 3.44Å; K126-V128 HydrophobicContact CB-CG1 3.98Å; V128-F130 HydrophobicContact CG2-CE2 4.25Å; V128-K145 WeakPolarHBondContact CA-O 3.37Å; V128-C147 HydrophobicContact CB-CB 3.98Å; V128-C147 HydrophobicContact CG2-CB 4.49Å
129M90.3Very high75.9Confident53 Ų5386.6 Ų86.626%0.26149%0.485SS..EExtended strand (participates in β ladder)trans-126.4125.3-177.4-76-59.3-60.600111.6K145 L146 C147M129-K145 PolarHBondContact N-O 2.74Å; M129-L146 CarbonylContact O-C 3.58Å; M129-L146 WeakPolarHBondContact O-CA 3.31Å; M129-C147 PolarHBondContact O-N 2.71Å
130F90.1Very high74.3Confident25 Ų2592.2 Ų92.211%0.1152%0.524CS..  trans-87.5127.2174.4-61.3-87.2000109.6I37 V119 Q123 V128 N132 C147 F149I37-F130 HydrophobicContact CD1-CE1 4.14Å; I37-F130 HydrophobicContact CD1-CZ 3.75Å; V119-F130 HydrophobicContact CG1-CE2 3.48Å; V119-F130 VanDerWaalsContact CG1-CE2 3.48Å; V119-F130 HydrophobicContact CG1-CZ 3.72Å; Q123-F130 HydrophobicContact CG-CE2 4.24Å; V128-F130 HydrophobicContact CG2-CE2 4.25Å; F130-N132 PolarHBondContact O-N 2.89Å; F130-N132 VanDerWaalsContact O-N 3.12Å; F130-C147 HydrophobicContact CD1-CB 4.29Å; F130-C147 WeakPolarHBondContact CD1-O 3.12Å; F130-C147 HydrophobicContact CE1-CB 4.04Å; F130-C147 HydrophobicContact CZ-CB 4.29Å; F130-F149 HydrophobicContact CD1-CD2 4.42Å; F130-F149 AromaticContact CD1-CE2 3.69Å; F130-F149 HydrophobicContact CD1-CE2 3.69Å; F130-F149 HydrophobicContact CD1-CZ 4.14Å; F130-F149 HydrophobicContact CE1-CD2 4.23Å; F130-F149 HydrophobicContact CE1-CE1 4.2Å; F130-F149 AromaticContact CE1-CE2 3.42Å; F130-F149 HydrophobicContact CE1-CE2 3.42Å; F130-F149 VanDerWaalsContact CE1-CE2 3.42Å; F130-F149 AromaticContact CE1-CZ 3.41Å; F130-F149 HydrophobicContact CE1-CZ 3.41Å; F130-F149 VanDerWaalsContact CE1-CZ 3.41Å; F130-F149 HydrophobicContact CZ-CE2 4.26Å; F130-F149 AromaticContact CZ-CZ 3.85Å; F130-F149 HydrophobicContact CZ-CZ 3.85Å
131P81Confident72.1Confident84 Ų8493.7 Ų93.755%0.54554%0.536SS..  trans-60.2116.2177.3-22.231.6000111.3F33 L146 C147F33-P131 HydrophobicContact CE1-CG 4.14Å; P131-L146 HydrophobicContact CG-CD2 4.46Å; P131-C147 WeakPolarHBondContact CD-O 3.46Å
132N72.5Confident70.2Confident108 Ų10895.9 Ų95.958%0.57855%0.552SS**  trans-124.3129.3-179.9-166-10.1000110.2F130 Q134 Q135F130-N132 PolarHBondContact O-N 2.89Å; F130-N132 VanDerWaalsContact O-N 3.12Å; N132-Q134 PolarHBondContact O-N 3.12Å; N132-Q135 PolarHBondContact O-N 2.73Å
133K55.1Low68.8Low147 Ų147100.5 Ų100.564%0.63958%0.584SS**THydrogen-bonded Turntrans-65.3-13.4-164.8-65.2-177-173.5164.70115.2E243K133-E243 WeakPolarHBondContact CD-OE2 3.39Å; K133-E243 WeakPolarHBondContact CE-OE1 3.49Å; K133-E243 WeakPolarHBondContact CE-OE2 3.38Å; K133-E243 IonicContact NZ-OE1 3.97Å; K133-E243 PolarHBondContact NZ-OE1 3.05Å; K133-E243 IonicContact NZ-OE2 3.22Å; K133-E243 PolarHBondContact NZ-OE2 3.31Å
134Q52.3Low67.9Low174 Ų174102.8 Ų102.881%0.81360%0.595SS**THydrogen-bonded Turntrans-90.9-6.5-177.7-61.7-175.46.200113.9N132 T136N132-Q134 PolarHBondContact O-N 3.12Å; Q134-T136 PolarHBondContact O-N 2.79Å
135Q52Low67.8Low127 Ų12799.8 Ų99.859%0.59358%0.576SS**  trans-8182.5175.1-75-174.2-24.500111.3N132 C137N132-Q135 PolarHBondContact O-N 2.73Å; Q135-C137 PolarHBondContact O-N 2.84Å
136T39.8Very low67.9Low126 Ų12696.1 Ų96.177%0.77356%0.556SS**  trans-65.5121.7160.246.40000109.2Q134 S138Q134-T136 PolarHBondContact O-N 2.79Å; T136-S138 PolarHBondContact O-N 3.2Å
137C42.7Very low68.2Low137 Ų13793.6 Ų93.693%0.92655%0.545SS*.  trans-56.1126.8-169.8-52.10000113.4Q135Q135-C137 PolarHBondContact O-N 2.84Å
138S46.1Very low68.6Low109 Ų10992.2 Ų92.276%0.76253%0.53SS*.  trans-133.7133.1165.253.60000109.4T136T136-S138 PolarHBondContact O-N 3.2Å
139A43.2Very low68.9Low103 Ų10392.3 Ų92.385%0.85153%0.53SS*.  trans54.7115.8-176.200000116.6D141A139-D141 PolarHBondContact O-N 3.16Å
140S63.7Low69.3Low123 Ų12389.8 Ų89.886%0.8652%0.518SS*.  trans-73.1109.7167.150.80000111
141D48.8Very low69.7Low137 Ų13788.6 Ų88.673%0.73351%0.512SS*.  trans-154.2150.7160.7-141.2-28000113A139A139-D141 PolarHBondContact O-N 3.16Å
142V55.4Low70.6Confident123 Ų12385.6 Ų85.675%0.74549%0.49SS*.SBendtrans59.1146.1178.9-171.80000116.3Q144V142-Q144 PolarHBondContact O-N 2.87Å
143S65.9Low71.7Confident104 Ų10481.4 Ų81.473%0.72747%0.47SS*.  trans-67.897.8173.1-175.20000110.9K145S143-K145 PolarHBondContact O-N 3.43Å
144Q74Confident73.6Confident119 Ų11976.9 Ų76.956%0.55645%0.452SS*.  trans-66.8118.4179.5-66.4-169-400111.4V142 L146V142-Q144 PolarHBondContact O-N 2.87Å; Q144-L146 PolarHBondContact O-N 3.15Å
145K89.9Confident75.7Confident81 Ų8170.1 Ų70.135%0.35242%0.42SS..EExtended strand (participates in β ladder)trans-82.583-179.3-70.4156.6168.7174.50110.3S34 Y35 K126 V128 M129 S143 C147S34-K145 WeakPolarHBondContact OG-CA 3.2Å; Y35-K145 HydrophobicContact CD2-CB 4.12Å; Y35-K145 HydrophobicContact CE2-CB 4.08Å; Y35-K145 HydrophobicContact CE2-CD 4.05Å; Y35-K145 HydrophobicContact CE2-CG 4.19Å; K126-K145 WeakPolarHBondContact O-CD 3.36Å; K126-K145 WeakPolarHBondContact O-CE 3.41Å; K126-K145 PolarHBondContact O-NZ 3.11Å; V128-K145 WeakPolarHBondContact CA-O 3.37Å; M129-K145 PolarHBondContact N-O 2.74Å; S143-K145 PolarHBondContact O-N 3.43Å; K145-C147 PolarHBondContact O-N 3.06Å
146L94.1Very high77.9Confident52 Ų5264.1 Ų64.127%0.27239%0.392SS..EExtended strand (participates in β ladder)trans-59.3137.7-179.1-63.7-177.9000111.5F33 S34 Y35 M129 P131 Q144F33-L146 CarbonylContact C-O 3.57Å; F33-L146 WeakPolarHBondContact CA-O 3.48Å; F33-L146 HydrophobicContact CD1-CB 4.14Å; S34-L146 PolarHBondContact N-O 2.82Å; Y35-L146 PolarHBondContact N-O 2.61Å; Y35-L146 VanDerWaalsContact N-O 3.15Å; M129-L146 CarbonylContact O-C 3.58Å; M129-L146 WeakPolarHBondContact O-CA 3.31Å; P131-L146 HydrophobicContact CG-CD2 4.46Å; Q144-L146 PolarHBondContact O-N 3.15Å
147C95.5Very high80.7Confident0 Ų058.1 Ų58.10%036%0.355CS..EExtended strand (participates in β ladder)trans-134.8145.8-177.1-1710000110.8Y35 V128 M129 F130 P131 K145Y35-C147 WeakPolarHBondContact O-CA 3.37Å; V128-C147 HydrophobicContact CB-CB 3.98Å; V128-C147 HydrophobicContact CG2-CB 4.49Å; M129-C147 PolarHBondContact O-N 2.71Å; F130-C147 HydrophobicContact CD1-CB 4.29Å; F130-C147 WeakPolarHBondContact CD1-O 3.12Å; F130-C147 HydrophobicContact CE1-CB 4.04Å; F130-C147 HydrophobicContact CZ-CB 4.29Å; P131-C147 WeakPolarHBondContact CD-O 3.46Å; K145-C147 PolarHBondContact O-N 3.06Å
148T96.9Very high83.2Confident5 Ų552.1 Ų52.13%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-146.1161.9173.7-170.90000110.6F33 L36 I37 I180F33-T148 HydrophobicContact CD1-CG2 3.65Å; F33-T148 HydrophobicContact CD2-CG2 3.64Å; F33-T148 HydrophobicContact CE1-CG2 3.64Å; F33-T148 HydrophobicContact CE2-CG2 3.63Å; F33-T148 HydrophobicContact CG-CG2 3.66Å; F33-T148 HydrophobicContact CZ-CG2 3.63Å; L36-T148 WeakPolarHBondContact CA-O 3.02Å; L36-T148 HydrophobicContact CD2-CG2 3.54Å; I37-T148 PolarHBondContact N-O 3.44Å; T148-I180 HydrophobicContact CG2-CD1 3.73Å; T148-I180 HydrophobicContact CG2-CG1 3.91Å
149F98.2Very high85.5Confident1 Ų148.3 Ų48.30%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-81.2150.3172.8-60.4-78.7000110.9I37 I39 F115 F130 L157 V175 L176 W179 I180I37-F149 HydrophobicContact CB-CD1 3.68Å; I37-F149 HydrophobicContact CB-CE1 3.78Å; I37-F149 HydrophobicContact CD1-CE1 3.78Å; I37-F149 HydrophobicContact CD1-CZ 4.27Å; I37-F149 HydrophobicContact CG1-CE1 4.37Å; I37-F149 HydrophobicContact CG2-CD1 3.73Å; I37-F149 HydrophobicContact CG2-CE1 3.73Å; I37-F149 CarbonylContact O-C 3.53Å; I37-F149 WeakPolarHBondContact O-CA 3.4Å; I39-F149 HydrophobicContact CD1-CD1 3.75Å; I39-F149 HydrophobicContact CD1-CE1 4.33Å; F115-F149 HydrophobicContact CE1-CE1 4.41Å; F115-F149 AromaticContact CZ-CE1 3.83Å; F115-F149 HydrophobicContact CZ-CE1 3.83Å; F115-F149 HydrophobicContact CZ-CZ 4.49Å; F130-F149 HydrophobicContact CD1-CD2 4.42Å; F130-F149 AromaticContact CD1-CE2 3.69Å; F130-F149 HydrophobicContact CD1-CE2 3.69Å; F130-F149 HydrophobicContact CD1-CZ 4.14Å; F130-F149 HydrophobicContact CE1-CD2 4.23Å; F130-F149 HydrophobicContact CE1-CE1 4.2Å; F130-F149 AromaticContact CE1-CE2 3.42Å; F130-F149 HydrophobicContact CE1-CE2 3.42Å; F130-F149 VanDerWaalsContact CE1-CE2 3.42Å; F130-F149 AromaticContact CE1-CZ 3.41Å; F130-F149 HydrophobicContact CE1-CZ 3.41Å; F130-F149 VanDerWaalsContact CE1-CZ 3.41Å; F130-F149 HydrophobicContact CZ-CE2 4.26Å; F130-F149 AromaticContact CZ-CZ 3.85Å; F130-F149 HydrophobicContact CZ-CZ 3.85Å; F149-L157 HydrophobicContact CB-CD1 4.13Å; F149-V175 WeakPolarHBondContact CD2-O 3.3Å; F149-V175 HydrophobicContact CE2-CB 3.89Å; F149-V175 HydrophobicContact CE2-CG2 3.95Å; F149-V175 WeakPolarHBondContact CE2-O 3.32Å; F149-V175 HydrophobicContact CZ-CB 4.41Å; F149-V175 HydrophobicContact CZ-CG2 4.04Å; F149-L176 HydrophobicContact CD1-CD2 3.67Å; F149-L176 HydrophobicContact CD2-CD2 3.95Å; F149-L176 HydrophobicContact CE1-CD2 3.67Å; F149-L176 HydrophobicContact CE2-CD2 3.96Å; F149-L176 HydrophobicContact CG-CD2 3.81Å; F149-L176 HydrophobicContact CZ-CD2 3.82Å; F149-W179 HydrophobicContact CB-CB 3.92Å; F149-W179 CarbonylContact O-C 3.56Å; F149-W179 VanDerWaalsContact O-CA 3.27Å; F149-W179 WeakPolarHBondContact O-CA 3.27Å; F149-W179 WeakPolarHBondContact O-CB 3.18Å; F149-I180 PolarHBondContact O-N 3.44Å
150L98.7Very high88.1Confident0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-139.2140.4178.2-177.3156.6000107.9L36 I37 V38 I39 I180 L182 T222 A226 L236L36-L150 HydrophobicContact CD1-CD1 3.98Å; I37-L150 PolarHBondContact O-N 3.02Å; V38-L150 CarbonylContact C-O 3.3Å; V38-L150 VanDerWaalsContact CA-O 3.29Å; V38-L150 WeakPolarHBondContact CA-O 3.06Å; V38-L150 HydrophobicContact CB-CD2 4.39Å; V38-L150 HydrophobicContact CG1-CD2 3.82Å; V38-L150 HydrophobicContact CG2-CB 4.37Å; V38-L150 HydrophobicContact CG2-CD2 3.99Å; I39-L150 PolarHBondContact N-O 3.3Å; L150-I180 WeakPolarHBondContact CA-O 3.49Å; L150-I180 HydrophobicContact CB-CB 4.2Å; L150-I180 HydrophobicContact CD1-CB 4.29Å; L150-I180 HydrophobicContact CD1-CG2 4.33Å; L150-I180 HydrophobicContact CG-CB 4.06Å; L150-I180 HydrophobicContact CG-CG2 4.38Å; L150-L182 HydrophobicContact CD1-CD1 4.32Å; L150-L182 HydrophobicContact CD2-CB 4.02Å; L150-L182 HydrophobicContact CD2-CD2 4.17Å; L150-L182 HydrophobicContact CG-CB 4.4Å; L150-T222 HydrophobicContact CD2-CG2 3.46Å; L150-T222 VanDerWaalsContact CD2-CG2 3.46Å; L150-A226 HydrophobicContact CD1-CB 4.07Å; L150-L236 HydrophobicContact CD1-CD1 4.18Å
151T98.7Very high89.7Confident0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-134.4160.3177.953.80000109I39 S153 D156 L157 W179 I180 L182I39-T151 HydrophobicContact CB-CG2 4.34Å; I39-T151 WeakPolarHBondContact O-CA 3.5Å; T151-S153 VanDerWaalsContact C-N 3.26Å; T151-S153 WeakPolarHBondContact CB-O 3.4Å; T151-S153 PolarHBondContact O-N 3.28Å; T151-S153 PolarHBondContact OG1-O 3.02Å; T151-D156 HydrophobicContact CG2-CB 3.89Å; T151-L157 HydrophobicContact CG2-CD1 3.76Å; T151-L157 HydrophobicContact CG2-CG 3.84Å; T151-W179 PolarHBondContact OG1-NE1 2.87Å; T151-I180 PolarHBondContact N-O 3.33Å; T151-L182 WeakPolarHBondContact O-CB 3.18Å; T151-L182 PolarHBondContact O-N 2.83Å
152W98.3Very high91.9Very high21 Ų2133.9 Ų33.98%0.0819%0.185CC..SBendtrans-61.5-40.1169.2173.4-127.5000110.9L182 R183 P194 G196 L197 A200 L225W152-L182 HydrophobicContact CE3-CB 4.48Å; W152-R183 HydrophobicContact CD2-CB 4.01Å; W152-R183 HydrophobicContact CE3-CB 3.92Å; W152-R183 HydrophobicContact CH2-CB 3.7Å; W152-R183 HydrophobicContact CH2-CG 3.67Å; W152-R183 HydrophobicContact CZ2-CB 3.78Å; W152-R183 HydrophobicContact CZ2-CG 3.54Å; W152-R183 HydrophobicContact CZ3-CB 3.76Å; W152-R183 HydrophobicContact CZ3-CG 4.26Å; W152-R183 WeakPolarHBondContact O-CB 3.44Å; W152-R183 PolarHBondContact O-N 3.49Å; W152-P194 HydrophobicContact CH2-CB 4.38Å; W152-P194 HydrophobicContact CH2-CG 3.78Å; W152-P194 HydrophobicContact CZ2-CG 4.18Å; W152-G196 VanDerWaalsContact CZ2-O 3.24Å; W152-G196 WeakPolarHBondContact CZ2-O 3.42Å; W152-L197 HydrophobicContact CD2-CB 4.06Å; W152-L197 HydrophobicContact CD2-CD1 4.04Å; W152-L197 HydrophobicContact CE3-CD1 3.73Å; W152-L197 HydrophobicContact CG-CB 4.28Å; W152-L197 HydrophobicContact CZ2-CB 4.47Å; W152-L197 HydrophobicContact CZ3-CD1 4.1Å; W152-A200 HydrophobicContact CH2-CB 3.73Å; W152-A200 HydrophobicContact CZ3-CB 4.19Å; W152-L225 HydrophobicContact CE3-CD2 4.28Å; W152-L225 HydrophobicContact CH2-CD2 4.5Å; W152-L225 HydrophobicContact CZ3-CD2 3.68Å
153S96.8Very high93.9Very high21 Ų2131.8 Ų31.815%0.14716%0.164CC..SBendtrans-140.4-179.1-174.584.20000114.7T151 W155T151-S153 VanDerWaalsContact C-N 3.26Å; T151-S153 WeakPolarHBondContact CB-O 3.4Å; T151-S153 PolarHBondContact O-N 3.28Å; T151-S153 PolarHBondContact OG1-O 3.02Å; S153-W155 PolarHBondContact O-N 3.11Å; S153-W155 WeakPolarHBondContact OG-CB 3.36Å; S153-W155 PolarHBondContact OG-N 3.49Å; S153-W155 VanDerWaalsContact OG-N 3.1Å
154D94.8Very high95.4Very high51 Ų5126.9 Ų26.927%0.27313%0.13SC..SBendtrans-72.3-15.5173.1-15439.1000113.1G158 W179 R240D154-G158 WeakPolarHBondContact O-CA 3.42Å; D154-G158 PolarHBondContact O-N 3.03Å; D154-W179 WeakPolarHBondContact OD1-CZ2 3.5Å; D154-R240 WeakPolarHBondContact OD1-CD 3.32Å; D154-R240 WeakPolarHBondContact OD1-CG 3.43Å; D154-R240 IonicContact OD1-CZ 3.88Å; D154-R240 VanDerWaalsContact OD1-CZ 3.22Å; D154-R240 IonicContact OD1-NE 2.71Å; D154-R240 PolarHBondContact OD1-NE 3.2Å; D154-R240 IonicContact OD1-NH1 2.68Å; D154-R240 PolarHBondContact OD1-NH1 2.77Å; D154-R240 IonicContact OD1-NH2 2.65Å; D154-R240 IonicContact OD2-CZ 3.7Å; D154-R240 VanDerWaalsContact OD2-CZ 3.24Å; D154-R240 IonicContact OD2-NH1 2.66Å; D154-R240 PolarHBondContact OD2-NH1 2.91Å; D154-R240 IonicContact OD2-NH2 2.78Å
155W96.8Very high96.5Very high33 Ų3321.3 Ų21.313%0.12510%0.104CC..Hα-helixtrans-69.1-44.2-169.7173.490000112.6F41 S43 Q54 S153 L157 V159 C160 Y397F41-W155 HydrophobicContact CB-CH2 4.38Å; F41-W155 HydrophobicContact CB-CZ3 4.02Å; F41-W155 WeakPolarHBondContact O-CH2 3.41Å; F41-W155 WeakPolarHBondContact O-CZ3 3.46Å; S43-W155 VanDerWaalsContact OG-CH2 3.31Å; S43-W155 WeakPolarHBondContact OG-CH2 3.47Å; S43-W155 VanDerWaalsContact OG-CZ2 3.27Å; S43-W155 WeakPolarHBondContact OG-CZ2 3.41Å; Q54-W155 VanDerWaalsContact OE1-NE1 3.13Å; S153-W155 PolarHBondContact O-N 3.11Å; S153-W155 WeakPolarHBondContact OG-CB 3.36Å; S153-W155 PolarHBondContact OG-N 3.49Å; S153-W155 VanDerWaalsContact OG-N 3.1Å; W155-L157 PolarHBondContact O-N 2.94Å; W155-V159 HydrophobicContact CG-CB 4.28Å; W155-V159 CarbonylContact O-C 3.57Å; W155-V159 VanDerWaalsContact O-CA 3.26Å; W155-V159 WeakPolarHBondContact O-CA 3.4Å; W155-V159 VanDerWaalsContact O-CB 3.27Å; W155-V159 WeakPolarHBondContact O-CB 3.38Å; W155-V159 PolarHBondContact O-N 3.49Å; W155-C160 HydrophobicContact CD2-CB 4.09Å; W155-C160 HydrophobicContact CE3-CB 4.27Å; W155-C160 HydrophobicContact CH2-CB 3.83Å; W155-C160 HydrophobicContact CZ2-CB 3.64Å; W155-C160 HydrophobicContact CZ3-CB 4.14Å; W155-C160 PolarHBondContact O-N 3.02Å; W155-Y397 AromaticContact CD1-CD1 3.49Å; W155-Y397 VanDerWaalsContact CD1-CD1 3.49Å; W155-Y397 AromaticContact CD1-CE1 3.84Å; W155-Y397 HydrophobicContact CG-CD1 4.37Å; W155-Y397 AromaticContact NE1-CD1 3.27Å; W155-Y397 VanDerWaalsContact NE1-CD1 3.27Å; W155-Y397 AromaticContact NE1-CE1 3.35Å
156D98.1Very high96.8Very high1 Ų124.7 Ų24.71%0.00512%0.119CC..Iπ-helixtrans-57.7-59.3-171.4-51.2-93.1000112.6F41 T151 L161F41-D156 HydrophobicContact CD2-CB 3.78Å; F41-D156 HydrophobicContact CE2-CB 4.13Å; F41-D156 WeakPolarHBondContact CE2-O 3.43Å; F41-D156 PolarHBondContact N-OD1 3.13Å; T151-D156 HydrophobicContact CG2-CB 3.89Å; D156-L161 WeakPolarHBondContact O-CB 3.34Å; D156-L161 PolarHBondContact O-N 2.99Å
157L97.3Very high96.9Very high0 Ų026.6 Ų26.60%012%0.122CC..Iπ-helixtrans-93.8-25.9-175.9-62.9178.9000113F41 F149 T151 W155 L161 K172 L176 W179F41-L157 HydrophobicContact CE2-CD2 4Å; F41-L157 HydrophobicContact CZ-CD2 4.14Å; F149-L157 HydrophobicContact CB-CD1 4.13Å; T151-L157 HydrophobicContact CG2-CD1 3.76Å; T151-L157 HydrophobicContact CG2-CG 3.84Å; W155-L157 PolarHBondContact O-N 2.94Å; L157-L161 HydrophobicContact CD2-CD2 3.78Å; L157-K172 PolarHBondContact O-NZ 3.27Å; L157-L176 HydrophobicContact CD1-CD2 4.48Å; L157-L176 HydrophobicContact CD2-CB 4.24Å; L157-L176 HydrophobicContact CD2-CD1 4.46Å; L157-L176 HydrophobicContact CD2-CD2 4.13Å; L157-W179 HydrophobicContact CB-CD2 3.82Å; L157-W179 HydrophobicContact CB-CE3 3.83Å; L157-W179 HydrophobicContact CB-CG 4.48Å; L157-W179 HydrophobicContact CB-CH2 4.04Å; L157-W179 HydrophobicContact CB-CZ2 3.98Å; L157-W179 HydrophobicContact CB-CZ3 3.95Å; L157-W179 HydrophobicContact CD1-CB 3.87Å; L157-W179 HydrophobicContact CD1-CD2 3.91Å; L157-W179 HydrophobicContact CD1-CE3 4.1Å; L157-W179 HydrophobicContact CD1-CG 3.81Å; L157-W179 HydrophobicContact CG-CD2 4.49Å
158G95.5Very high96.9Very high10 Ų1028.3 Ų28.310%0.10313%0.13CC..Iπ-helixtrans-91-27.2-178.600000114.4D154 Q162D154-G158 WeakPolarHBondContact O-CA 3.42Å; D154-G158 PolarHBondContact O-N 3.03Å; G158-Q162 WeakPolarHBondContact O-CB 3.44Å
159V95.3Very high96.8Very high30 Ų3036.8 Ų36.818%0.18217%0.169CC..Iπ-helixtrans-115.2-74.3-179.8-176.10000110.6W155 Q162 Y163W155-V159 HydrophobicContact CG-CB 4.28Å; W155-V159 CarbonylContact O-C 3.57Å; W155-V159 VanDerWaalsContact O-CA 3.26Å; W155-V159 WeakPolarHBondContact O-CA 3.4Å; W155-V159 VanDerWaalsContact O-CB 3.27Å; W155-V159 WeakPolarHBondContact O-CB 3.38Å; W155-V159 PolarHBondContact O-N 3.49Å; V159-Q162 PolarHBondContact O-N 2.6Å; V159-Y163 HydrophobicContact CB-CD2 4.24Å; V159-Y163 HydrophobicContact CB-CE2 4.26Å; V159-Y163 HydrophobicContact CG1-CD2 3.71Å; V159-Y163 HydrophobicContact CG1-CE2 3.9Å; V159-Y163 HydrophobicContact CG2-CE2 4.46Å; V159-Y163 WeakPolarHBondContact O-CB 3.35Å; V159-Y163 WeakPolarHBondContact O-CD2 3.31Å; V159-Y163 PolarHBondContact O-N 3.47Å
160C96.6Very high96.7Very high5 Ų538.2 Ų38.23%0.03418%0.177CC..Iπ-helixtrans-54.2-67.6-168.2-166.10000112.5W155 Q162 Y163 E164W155-C160 HydrophobicContact CD2-CB 4.09Å; W155-C160 HydrophobicContact CE3-CB 4.27Å; W155-C160 HydrophobicContact CH2-CB 3.83Å; W155-C160 HydrophobicContact CZ2-CB 3.64Å; W155-C160 HydrophobicContact CZ3-CB 4.14Å; W155-C160 PolarHBondContact O-N 3.02Å; C160-Q162 VanDerWaalsContact C-N 3.28Å; C160-Q162 PolarHBondContact O-N 3.46Å; C160-Y163 PolarHBondContact O-N 3.47Å; C160-E164 WeakPolarHBondContact O-CB 3.48Å; C160-E164 PolarHBondContact O-N 2.96Å
161L97.8Very high96.5Very high0 Ų044.6 Ų44.60%021%0.206CC..Hα-helixtrans-61.8-35.9179.518063.7000112.3F41 I56 L108 L112 D156 L157 C165 K172 L176F41-L161 HydrophobicContact CE2-CB 3.82Å; F41-L161 HydrophobicContact CE2-CD2 4.24Å; F41-L161 HydrophobicContact CZ-CD2 4.25Å; I56-L161 HydrophobicContact CD1-CB 4.02Å; I56-L161 HydrophobicContact CD1-CD1 3.84Å; L108-L161 HydrophobicContact CD1-CD1 4.45Å; L108-L161 HydrophobicContact CD2-CD1 4.17Å; L112-L161 HydrophobicContact CD1-CD1 4.37Å; L112-L161 HydrophobicContact CD2-CD1 4.11Å; D156-L161 WeakPolarHBondContact O-CB 3.34Å; D156-L161 PolarHBondContact O-N 2.99Å; L157-L161 HydrophobicContact CD2-CD2 3.78Å; L161-C165 VanDerWaalsContact CD1-SG 3.55Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.4Å; L161-C165 PolarHBondContact O-N 2.8Å; L161-C165 PolarHBondContact O-SG 2.91Å; L161-C165 VanDerWaalsContact O-SG 3.35Å; L161-K172 HydrophobicContact CD2-CD 4.31Å; L161-K172 HydrophobicContact CD2-CG 4.2Å; L161-K172 HydrophobicContact CG-CD 4.31Å; L161-K172 HydrophobicContact CG-CG 4.3Å; L161-L176 HydrophobicContact CD2-CD1 3.7Å
162Q96.4Very high96.3Very high54 Ų5445.3 Ų45.325%0.25221%0.209SC..Hα-helixtrans-68.7-41.3-176.7-17853.857.100112.6G158 V159 C160 K166 K172 L242G158-Q162 WeakPolarHBondContact O-CB 3.44Å; V159-Q162 PolarHBondContact O-N 2.6Å; C160-Q162 VanDerWaalsContact C-N 3.28Å; C160-Q162 PolarHBondContact O-N 3.46Å; Q162-K166 WeakPolarHBondContact O-CB 3.44Å; Q162-K166 PolarHBondContact O-N 2.75Å; Q162-K172 VanDerWaalsContact OE1-CD 3.3Å; Q162-L242 HydrophobicContact CG-CD1 4.28Å
163Y96.3Very high96.1Very high79 Ų7944.6 Ų44.631%0.3121%0.208SC..Hα-helixtrans-82-38177.9-67.3-62.3000111.7V159 C160 K166 R167 L402V159-Y163 HydrophobicContact CB-CD2 4.24Å; V159-Y163 HydrophobicContact CB-CE2 4.26Å; V159-Y163 HydrophobicContact CG1-CD2 3.71Å; V159-Y163 HydrophobicContact CG1-CE2 3.9Å; V159-Y163 HydrophobicContact CG2-CE2 4.46Å; V159-Y163 WeakPolarHBondContact O-CB 3.35Å; V159-Y163 WeakPolarHBondContact O-CD2 3.31Å; V159-Y163 PolarHBondContact O-N 3.47Å; C160-Y163 PolarHBondContact O-N 3.47Å; Y163-K166 PolarHBondContact O-N 3.36Å; Y163-R167 WeakPolarHBondContact O-CB 3.22Å; Y163-R167 WeakPolarHBondContact O-CG 3.37Å; Y163-R167 PolarHBondContact O-N 2.9Å; Y163-L402 HydrophobicContact CD2-CD1 3.78Å; Y163-L402 HydrophobicContact CE1-CD1 4.13Å; Y163-L402 HydrophobicContact CE2-CD1 3.28Å; Y163-L402 HydrophobicContact CG-CD1 4.43Å; Y163-L402 VanDerWaalsContact CZ-CD1 3.47Å
164E97.6Very high95.8Very high1 Ų149.5 Ų49.51%0.00523%0.232CC..Hα-helixtrans-61.5-49.2175-166.6-172.3161.300111.6E55 I56 L108 C160 K166 R167 K168E55-E164 WeakPolarHBondContact CA-OE2 3.17Å; I56-E164 WeakPolarHBondContact CG1-OE2 3.34Å; I56-E164 PolarHBondContact N-OE2 3.22Å; L108-E164 HydrophobicContact CD2-CB 4.45Å; L108-E164 HydrophobicContact CD2-CG 4.03Å; L108-E164 WeakPolarHBondContact CD2-OE1 3.42Å; C160-E164 WeakPolarHBondContact O-CB 3.48Å; C160-E164 PolarHBondContact O-N 2.96Å; E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 3.39Å; E164-R167 PolarHBondContact O-N 2.99Å; E164-R167 VanDerWaalsContact O-N 3.13Å; E164-K168 HydrophobicContact CG-CD 3.94Å; E164-K168 HydrophobicContact CG-CG 4.34Å; E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 PolarHBondContact O-N 2.82Å; E164-K168 VanDerWaalsContact OE1-CE 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.23Å; E164-K168 IonicContact OE1-NZ 2.76Å; E164-K168 PolarHBondContact OE1-NZ 3.48Å
165C97.3Very high95.7Very high2 Ų249.9 Ų49.91%0.01424%0.236CC..Hα-helixtrans-57.6-41.7175.2-75.50000112L161 R167 Q169 L170 K172L161-C165 VanDerWaalsContact CD1-SG 3.55Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.4Å; L161-C165 PolarHBondContact O-N 2.8Å; L161-C165 PolarHBondContact O-SG 2.91Å; L161-C165 VanDerWaalsContact O-SG 3.35Å; C165-R167 PolarHBondContact O-N 3.14Å; C165-Q169 CarbonylContact O-C 3.5Å; C165-Q169 PolarHBondContact O-N 3.33Å; C165-L170 HydrophobicContact CB-CB 4.22Å; C165-L170 WeakPolarHBondContact CB-O 3.16Å; C165-L170 PolarHBondContact O-N 3.35Å; C165-K172 HydrophobicContact CB-CB 4.13Å
166K95.9Very high95.6Very high152 Ų15248.3 Ų48.366%0.66123%0.23SC*.Hα-helixtrans-63.1-41.3176.6-174-173.2175.1-167.50112.3Q162 Y163 E164Q162-K166 WeakPolarHBondContact O-CB 3.44Å; Q162-K166 PolarHBondContact O-N 2.75Å; Y163-K166 PolarHBondContact O-N 3.36Å; E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 3.39Å
167R95.4Very high95.4Very high92 Ų9249.2 Ų49.235%0.34724%0.237SC..Hα-helixtrans-70.4-44.5-178.5-68.5169.8-26.389.9-11.4111.3Q54 E83 Y163 E164 C165 Q169Q54-R167 PolarHBondContact O-NH2 3.45Å; E83-R167 IonicContact OE1-CZ 2.7Å; E83-R167 IonicContact OE1-NH1 3.32Å; E83-R167 PolarHBondContact OE1-NH1 3.16Å; E83-R167 IonicContact OE1-NH2 3.4Å; E83-R167 PolarHBondContact OE1-NH2 3.1Å; E83-R167 IonicContact OE2-CZ 3.42Å; E83-R167 IonicContact OE2-NH1 3.84Å; E83-R167 PolarHBondContact OE2-NH1 3.36Å; E83-R167 IonicContact OE2-NH2 3.48Å; E83-R167 PolarHBondContact OE2-NH2 3.22Å; Y163-R167 WeakPolarHBondContact O-CB 3.22Å; Y163-R167 WeakPolarHBondContact O-CG 3.37Å; Y163-R167 PolarHBondContact O-N 2.9Å; E164-R167 PolarHBondContact O-N 2.99Å; E164-R167 VanDerWaalsContact O-N 3.13Å; C165-R167 PolarHBondContact O-N 3.14Å; R167-Q169 VanDerWaalsContact C-N 3.28Å; R167-Q169 PolarHBondContact O-N 3.39Å
168K95.6Very high95.3Very high37 Ų3751 Ų5116%0.16125%0.249CC..THydrogen-bonded Turntrans-82.96178-63.4-173.8177.1178.40114.7E55 E164 L170E55-K168 WeakPolarHBondContact OE1-CE 3.4Å; E55-K168 IonicContact OE1-NZ 3.07Å; E55-K168 PolarHBondContact OE1-NZ 3.09Å; E164-K168 HydrophobicContact CG-CD 3.94Å; E164-K168 HydrophobicContact CG-CG 4.34Å; E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 PolarHBondContact O-N 2.82Å; E164-K168 VanDerWaalsContact OE1-CE 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.23Å; E164-K168 IonicContact OE1-NZ 2.76Å; E164-K168 PolarHBondContact OE1-NZ 3.48Å; K168-L170 HydrophobicContact CB-CD1 4.12Å; K168-L170 HydrophobicContact CB-CG 3.9Å; K168-L170 PolarHBondContact O-N 3.01Å
169Q96.4Very high95.4Very high183 Ų18350.6 Ų50.686%0.85524%0.244SC*.THydrogen-bonded Turntrans56.128.6-178-51.3-177.12600114.3C165 R167C165-Q169 CarbonylContact O-C 3.5Å; C165-Q169 PolarHBondContact O-N 3.33Å; R167-Q169 VanDerWaalsContact C-N 3.28Å; R167-Q169 PolarHBondContact O-N 3.39Å
170L96.3Very high95.6Very high31 Ų3149.1 Ų49.116%0.16224%0.236CC..  trans-87.2141.2177.9-57179.9000110.9L108 Q109 C165 K168 K172L108-L170 HydrophobicContact CB-CD1 4.3Å; L108-L170 HydrophobicContact CD2-CD1 4.21Å; L108-L170 HydrophobicContact CG-CD1 4.26Å; Q109-L170 HydrophobicContact CB-CD1 4.13Å; Q109-L170 HydrophobicContact CB-CD2 3.87Å; Q109-L170 HydrophobicContact CG-CD2 3.97Å; C165-L170 HydrophobicContact CB-CB 4.22Å; C165-L170 WeakPolarHBondContact CB-O 3.16Å; C165-L170 PolarHBondContact O-N 3.35Å; K168-L170 HydrophobicContact CB-CD1 4.12Å; K168-L170 HydrophobicContact CB-CG 3.9Å; K168-L170 PolarHBondContact O-N 3.01Å; L170-K172 PolarHBondContact O-N 3.29Å
171H94.3Very high95.6Very high134 Ų13449.1 Ų49.162%0.6224%0.235SC*.  trans-73.1112.3168170.572.3000109.8D174H171-D174 IonicContact CE1-OD1 2.61Å
172K94.4Very high95.7Very high14 Ų1449.1 Ų49.16%0.06124%0.235CC..  trans-68.7126.9167.4-179.8-175.9170.2-174.40108.8L157 L161 Q162 C165 L170 D174 L176L157-K172 PolarHBondContact O-NZ 3.27Å; L161-K172 HydrophobicContact CD2-CD 4.31Å; L161-K172 HydrophobicContact CD2-CG 4.2Å; L161-K172 HydrophobicContact CG-CD 4.31Å; L161-K172 HydrophobicContact CG-CG 4.3Å; Q162-K172 VanDerWaalsContact OE1-CD 3.3Å; C165-K172 HydrophobicContact CB-CB 4.13Å; L170-K172 PolarHBondContact O-N 3.29Å; K172-D174 PolarHBondContact O-N 2.73Å; K172-L176 WeakPolarHBondContact CE-O 3.44Å; K172-L176 PolarHBondContact NZ-O 3.2Å
173P92.9Very high95.8Very high7 Ų748.5 Ų48.55%0.04523%0.231CC..  trans-57.9129178.6-24.533.7000112.5L112 N116 V175 L176L112-P173 HydrophobicContact CD2-CG 4.3Å; N116-P173 VanDerWaalsContact OD1-CG 3.32Å; N116-P173 WeakPolarHBondContact OD1-CG 3.49Å; P173-V175 HydrophobicContact CB-CG2 4.24Å; P173-V175 PolarHBondContact O-N 3.01Å; P173-V175 VanDerWaalsContact O-N 3.1Å; P173-L176 HydrophobicContact CB-CD1 4.5Å; P173-L176 HydrophobicContact CG-CD1 4.35Å; P173-L176 WeakPolarHBondContact O-CB 3.25Å; P173-L176 PolarHBondContact O-N 3.25Å
174D91.1Very high95.8Very high124 Ų12446.1 Ų46.166%0.66323%0.226SC*.G310 helixtrans-57.9-29.9-175-68.8-41.7000113.8H171 K172 L176 S177H171-D174 IonicContact CE1-OD1 2.61Å; K172-D174 PolarHBondContact O-N 2.73Å; D174-L176 PolarHBondContact O-N 3.22Å; D174-S177 VanDerWaalsContact O-CB 3.23Å; D174-S177 WeakPolarHBondContact O-CB 3.41Å; D174-S177 PolarHBondContact O-N 2.84Å
175V92.2Very high95.8Very high58 Ų5846.8 Ų46.835%0.35223%0.23SC..G310 helixtrans-60.6-27.9176.3-57.10000112.5F149 P173 S177F149-V175 WeakPolarHBondContact CD2-O 3.3Å; F149-V175 HydrophobicContact CE2-CB 3.89Å; F149-V175 HydrophobicContact CE2-CG2 3.95Å; F149-V175 WeakPolarHBondContact CE2-O 3.32Å; F149-V175 HydrophobicContact CZ-CB 4.41Å; F149-V175 HydrophobicContact CZ-CG2 4.04Å; P173-V175 HydrophobicContact CB-CG2 4.24Å; P173-V175 PolarHBondContact O-N 3.01Å; P173-V175 VanDerWaalsContact O-N 3.1Å; V175-S177 VanDerWaalsContact C-N 3.27Å; V175-S177 PolarHBondContact O-N 3.25Å
176L95.3Very high95.9Very high0 Ų046.7 Ų46.70%023%0.229CC..G310 helixtrans-84.98.3176.3-64.3178.6000113.3I39 F115 F149 L157 L161 K172 P173 D174I39-L176 HydrophobicContact CD1-CD2 3.92Å; F115-L176 HydrophobicContact CD1-CD1 4.42Å; F115-L176 HydrophobicContact CE1-CD1 3.92Å; F115-L176 HydrophobicContact CE1-CD2 3.93Å; F115-L176 HydrophobicContact CE1-CG 4.2Å; F115-L176 HydrophobicContact CZ-CD2 4.13Å; F149-L176 HydrophobicContact CD1-CD2 3.67Å; F149-L176 HydrophobicContact CD2-CD2 3.95Å; F149-L176 HydrophobicContact CE1-CD2 3.67Å; F149-L176 HydrophobicContact CE2-CD2 3.96Å; F149-L176 HydrophobicContact CG-CD2 3.81Å; F149-L176 HydrophobicContact CZ-CD2 3.82Å; L157-L176 HydrophobicContact CD1-CD2 4.48Å; L157-L176 HydrophobicContact CD2-CB 4.24Å; L157-L176 HydrophobicContact CD2-CD1 4.46Å; L157-L176 HydrophobicContact CD2-CD2 4.13Å; L161-L176 HydrophobicContact CD2-CD1 3.7Å; K172-L176 WeakPolarHBondContact CE-O 3.44Å; K172-L176 PolarHBondContact NZ-O 3.2Å; P173-L176 HydrophobicContact CB-CD1 4.5Å; P173-L176 HydrophobicContact CG-CD1 4.35Å; P173-L176 WeakPolarHBondContact O-CB 3.25Å; P173-L176 PolarHBondContact O-N 3.25Å; D174-L176 PolarHBondContact O-N 3.22Å
177S94.6Very high96Very high20 Ų2045.1 Ų45.114%0.1422%0.219CC..G310 helixtrans-93.28.8177.3-63.30000113.8D174 V175 S241 L242D174-S177 VanDerWaalsContact O-CB 3.23Å; D174-S177 WeakPolarHBondContact O-CB 3.41Å; D174-S177 PolarHBondContact O-N 2.84Å; V175-S177 VanDerWaalsContact C-N 3.27Å; V175-S177 PolarHBondContact O-N 3.25Å; S177-S241 CarbonylContact O-C 3.49Å; S177-S241 VanDerWaalsContact O-CA 3.26Å; S177-S241 WeakPolarHBondContact O-CA 3.47Å; S177-L242 PolarHBondContact O-N 3.37Å
178S95.1Very high96.1Very high38 Ų3847.3 Ų47.327%0.26624%0.237SC..EExtended strand (participates in β ladder)trans-147.4125.6179.1-172.40000110.6T238 R240S178-T238 VanDerWaalsContact OG-CG2 3.31Å; S178-T238 WeakPolarHBondContact OG-CG2 3.31Å; S178-R240 WeakPolarHBondContact CA-O 3.32Å
179W97.5Very high96.2Very high1 Ų149.2 Ų49.20%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-157.4174.3-175.667.8100.5000114.9F149 T151 D154 L157 T239 R240 L242F149-W179 HydrophobicContact CB-CB 3.92Å; F149-W179 CarbonylContact O-C 3.56Å; F149-W179 VanDerWaalsContact O-CA 3.27Å; F149-W179 WeakPolarHBondContact O-CA 3.27Å; F149-W179 WeakPolarHBondContact O-CB 3.18Å; T151-W179 PolarHBondContact OG1-NE1 2.87Å; D154-W179 WeakPolarHBondContact OD1-CZ2 3.5Å; L157-W179 HydrophobicContact CB-CD2 3.82Å; L157-W179 HydrophobicContact CB-CE3 3.83Å; L157-W179 HydrophobicContact CB-CG 4.48Å; L157-W179 HydrophobicContact CB-CH2 4.04Å; L157-W179 HydrophobicContact CB-CZ2 3.98Å; L157-W179 HydrophobicContact CB-CZ3 3.95Å; L157-W179 HydrophobicContact CD1-CB 3.87Å; L157-W179 HydrophobicContact CD1-CD2 3.91Å; L157-W179 HydrophobicContact CD1-CE3 4.1Å; L157-W179 HydrophobicContact CD1-CG 3.81Å; L157-W179 HydrophobicContact CG-CD2 4.49Å; W179-T239 PolarHBondContact O-N 3.04Å; W179-R240 HydrophobicContact CD2-CB 3.73Å; W179-R240 VanDerWaalsContact CE2-CB 3.44Å; W179-R240 HydrophobicContact CE3-CB 4.25Å; W179-R240 HydrophobicContact CG-CB 4.16Å; W179-R240 HydrophobicContact CH2-CB 4.17Å; W179-R240 HydrophobicContact CZ2-CB 3.68Å; W179-R240 HydrophobicContact CZ2-CG 4.1Å; W179-R240 HydrophobicContact CZ3-CB 4.45Å; W179-R240 PolarHBondContact N-O 3.39Å; W179-R240 PolarHBondContact O-N 3.27Å; W179-R240 VanDerWaalsContact O-N 3.07Å; W179-L242 HydrophobicContact CH2-CD1 3.74Å; W179-L242 HydrophobicContact CH2-CD2 4.11Å; W179-L242 HydrophobicContact CH2-CG 3.68Å; W179-L242 HydrophobicContact CZ3-CD1 3.69Å; W179-L242 HydrophobicContact CZ3-CG 3.73Å
180I98.2Very high96.3Very high0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-102.3108.9172.2-49.9-169.9000109.9F33 L36 T148 F149 L150 T151 L182 L236 K237F33-I180 HydrophobicContact CD2-CD1 4.33Å; F33-I180 HydrophobicContact CE2-CD1 4.06Å; L36-I180 HydrophobicContact CD2-CD1 4.03Å; T148-I180 HydrophobicContact CG2-CD1 3.73Å; T148-I180 HydrophobicContact CG2-CG1 3.91Å; F149-I180 PolarHBondContact O-N 3.44Å; L150-I180 WeakPolarHBondContact CA-O 3.49Å; L150-I180 HydrophobicContact CB-CB 4.2Å; L150-I180 HydrophobicContact CD1-CB 4.29Å; L150-I180 HydrophobicContact CD1-CG2 4.33Å; L150-I180 HydrophobicContact CG-CB 4.06Å; L150-I180 HydrophobicContact CG-CG2 4.38Å; T151-I180 PolarHBondContact N-O 3.33Å; I180-L182 PolarHBondContact O-N 3.5Å; I180-L236 HydrophobicContact CD1-CB 3.87Å; I180-K237 WeakPolarHBondContact CG1-O 3.35Å
181D98.2Very high96.3Very high4 Ų446 Ų462%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-70.4101.3162166.8-5.8000108.5R183 S184 T185 T239 R240D181-R183 PolarHBondContact OD1-N 2.96Å; D181-S184 WeakPolarHBondContact OD1-CB 3.45Å; D181-S184 PolarHBondContact OD1-N 3.2Å; D181-S184 PolarHBondContact OD1-OG 3.31Å; D181-S184 VanDerWaalsContact OD2-CB 3.22Å; D181-S184 WeakPolarHBondContact OD2-CB 3.47Å; D181-S184 PolarHBondContact OD2-OG 3.32Å; D181-T185 PolarHBondContact O-N 3.13Å; D181-T185 VanDerWaalsContact O-N 3.14Å; D181-T185 PolarHBondContact O-OG1 2.97Å; D181-T239 WeakPolarHBondContact CB-OG1 3.46Å; D181-T239 PolarHBondContact N-OG1 3.04Å; D181-R240 HydrophobicContact CB-CG 3.86Å; D181-R240 IonicContact OD2-CZ 2.85Å; D181-R240 IonicContact OD2-NE 2.8Å; D181-R240 PolarHBondContact OD2-NE 2.74Å; D181-R240 IonicContact OD2-NH2 3.45Å; D181-R240 PolarHBondContact OD2-NH2 3.23Å
182L98.4Very high96.3Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-70-36.8-173.9-172.165.1000111.7L150 T151 W152 I180 S184 T185 Y186 T222 L225 A226 M229 L236L150-L182 HydrophobicContact CD1-CD1 4.32Å; L150-L182 HydrophobicContact CD2-CB 4.02Å; L150-L182 HydrophobicContact CD2-CD2 4.17Å; L150-L182 HydrophobicContact CG-CB 4.4Å; T151-L182 WeakPolarHBondContact O-CB 3.18Å; T151-L182 PolarHBondContact O-N 2.83Å; W152-L182 HydrophobicContact CE3-CB 4.48Å; I180-L182 PolarHBondContact O-N 3.5Å; L182-S184 PolarHBondContact O-N 3.01Å; L182-T185 CarbonylContact O-C 3.43Å; L182-T185 WeakPolarHBondContact O-CB 3.47Å; L182-T185 PolarHBondContact O-N 3.12Å; L182-T185 VanDerWaalsContact O-N 3.16Å; L182-Y186 WeakPolarHBondContact O-CB 3.18Å; L182-Y186 PolarHBondContact O-N 3.24Å; L182-T222 HydrophobicContact CD2-CG2 3.81Å; L182-L225 HydrophobicContact CD2-CB 4.12Å; L182-L225 HydrophobicContact CD2-CD2 3.98Å; L182-L225 HydrophobicContact CD2-CG 3.94Å; L182-A226 HydrophobicContact CD1-CB 4.37Å; L182-A226 HydrophobicContact CD2-CB 4.18Å; L182-M229 HydrophobicContact CD1-CE 3.77Å; L182-M229 HydrophobicContact CD1-SD 3.64Å; L182-M229 HydrophobicContact CG-SD 4.11Å; L182-L236 HydrophobicContact CD1-CD2 4.12Å
183R98.3Very high96.3Very high41 Ų4153.5 Ų53.516%0.15527%0.268CS..Hα-helixtrans-63.1-40.5177.3-175.5-178.9-171.6-169.59.6112.6W152 D181 T185 R187 P194 D398W152-R183 HydrophobicContact CD2-CB 4.01Å; W152-R183 HydrophobicContact CE3-CB 3.92Å; W152-R183 HydrophobicContact CH2-CB 3.7Å; W152-R183 HydrophobicContact CH2-CG 3.67Å; W152-R183 HydrophobicContact CZ2-CB 3.78Å; W152-R183 HydrophobicContact CZ2-CG 3.54Å; W152-R183 HydrophobicContact CZ3-CB 3.76Å; W152-R183 HydrophobicContact CZ3-CG 4.26Å; W152-R183 WeakPolarHBondContact O-CB 3.44Å; W152-R183 PolarHBondContact O-N 3.49Å; D181-R183 PolarHBondContact OD1-N 2.96Å; R183-T185 VanDerWaalsContact C-N 3.35Å; R183-R187 WeakPolarHBondContact O-CB 3.17Å; R183-R187 WeakPolarHBondContact O-CD 3.24Å; R183-R187 WeakPolarHBondContact O-CG 3.27Å; R183-R187 PolarHBondContact O-N 3.43Å; R183-P194 HydrophobicContact CG-CG 4.35Å; R183-D398 IonicContact CZ-OD1 3.72Å; R183-D398 IonicContact CZ-OD2 3.37Å; R183-D398 IonicContact NH1-OD1 2.74Å; R183-D398 PolarHBondContact NH1-OD1 2.86Å; R183-D398 IonicContact NH1-OD2 3.39Å; R183-D398 VanDerWaalsContact NH2-CG 3.28Å; R183-D398 IonicContact NH2-OD1 2.59Å; R183-D398 PolarHBondContact NH2-OD1 3.2Å; R183-D398 IonicContact NH2-OD2 3.23Å; R183-D398 PolarHBondContact NH2-OD2 2.81Å
184S97.5Very high96.4Very high30 Ų3053.9 Ų53.921%0.2127%0.27CS..Hα-helixtrans-66.2-39.5172.6-700000111.5D181 L182 R187 L188D181-S184 WeakPolarHBondContact OD1-CB 3.45Å; D181-S184 PolarHBondContact OD1-N 3.2Å; D181-S184 PolarHBondContact OD1-OG 3.31Å; D181-S184 VanDerWaalsContact OD2-CB 3.22Å; D181-S184 WeakPolarHBondContact OD2-CB 3.47Å; D181-S184 PolarHBondContact OD2-OG 3.32Å; L182-S184 PolarHBondContact O-N 3.01Å; S184-R187 PolarHBondContact O-N 3.36Å; S184-L188 WeakPolarHBondContact O-CG 3.37Å; S184-L188 PolarHBondContact O-N 2.68Å; S184-L188 VanDerWaalsContact O-N 3.09Å
185T98Very high96.6Very high14 Ų1457.3 Ų57.39%0.08628%0.279CS..Hα-helixtrans-63.8-43.7175.8-51.70000111.9D181 L182 R183 L188 F189 M229 L236D181-T185 PolarHBondContact O-N 3.13Å; D181-T185 VanDerWaalsContact O-N 3.14Å; D181-T185 PolarHBondContact O-OG1 2.97Å; L182-T185 CarbonylContact O-C 3.43Å; L182-T185 WeakPolarHBondContact O-CB 3.47Å; L182-T185 PolarHBondContact O-N 3.12Å; L182-T185 VanDerWaalsContact O-N 3.16Å; R183-T185 VanDerWaalsContact C-N 3.35Å; T185-L188 PolarHBondContact O-N 2.84Å; T185-F189 VanDerWaalsContact O-CB 3.31Å; T185-F189 WeakPolarHBondContact O-CB 3.4Å; T185-F189 PolarHBondContact O-N 3.14Å; T185-M229 HydrophobicContact CG2-CE 3.8Å; T185-L236 HydrophobicContact CG2-CD2 3.84Å
186Y98.4Very high96.7Very high0 Ų055.6 Ų55.60%027%0.273CS..Hα-helixtrans-58.9-47.6174.2-177-75.2000111.3L182 L188 F189 Y190 R192 P194 A200 D203 L204 L225 M229L182-Y186 WeakPolarHBondContact O-CB 3.18Å; L182-Y186 PolarHBondContact O-N 3.24Å; Y186-L188 VanDerWaalsContact C-N 3.3Å; Y186-L188 PolarHBondContact O-N 2.9Å; Y186-F189 PolarHBondContact O-N 3.46Å; Y186-Y190 HydrophobicContact CD1-CD2 4.05Å; Y186-Y190 AromaticContact CD2-CD2 3.61Å; Y186-Y190 HydrophobicContact CD2-CD2 3.61Å; Y186-Y190 AromaticContact CD2-CE2 3.72Å; Y186-Y190 HydrophobicContact CD2-CE2 3.72Å; Y186-Y190 AromaticContact CE1-CD2 3.96Å; Y186-Y190 HydrophobicContact CE1-CD2 3.96Å; Y186-Y190 AromaticContact CE2-CD2 3.52Å; Y186-Y190 HydrophobicContact CE2-CD2 3.52Å; Y186-Y190 AromaticContact CE2-CE2 3.61Å; Y186-Y190 HydrophobicContact CE2-CE2 3.61Å; Y186-Y190 AromaticContact CG-CD2 3.86Å; Y186-Y190 HydrophobicContact CG-CD2 3.86Å; Y186-Y190 HydrophobicContact CG-CE2 4.39Å; Y186-Y190 AromaticContact CZ-CD2 3.68Å; Y186-Y190 PolarHBondContact O-N 3.11Å; Y186-R192 HydrophobicContact CE1-CB 4.23Å; Y186-P194 HydrophobicContact CD1-CB 4.41Å; Y186-P194 HydrophobicContact CD1-CG 3.82Å; Y186-P194 HydrophobicContact CE1-CB 4.08Å; Y186-P194 HydrophobicContact CE1-CG 3.99Å; Y186-A200 HydrophobicContact CD2-CB 4.1Å; Y186-A200 HydrophobicContact CE2-CB 3.71Å; Y186-A200 PolarHBondContact OH-O 2.87Å; Y186-D203 WeakPolarHBondContact OH-CB 3.47Å; Y186-D203 PolarHBondContact OH-OD2 2.9Å; Y186-L204 HydrophobicContact CE2-CD1 3.95Å; Y186-L204 HydrophobicContact CE2-CD2 4.41Å; Y186-L204 HydrophobicContact CE2-CG 4.06Å; Y186-L225 HydrophobicContact CD2-CD1 4.1Å; Y186-L225 HydrophobicContact CD2-CD2 4.35Å; Y186-L225 HydrophobicContact CE2-CD1 4.01Å; Y186-M229 HydrophobicContact CD2-SD 3.83Å; Y186-M229 HydrophobicContact CG-SD 4.42Å
187R97.9Very high96.8Very high119 Ų11956 Ų5645%0.44928%0.276SS..Hα-helixtrans-60.2-39.4179.9-77.216657.7174-5.2112.4R183 S184 S191 R192R183-R187 WeakPolarHBondContact O-CB 3.17Å; R183-R187 WeakPolarHBondContact O-CD 3.24Å; R183-R187 WeakPolarHBondContact O-CG 3.27Å; R183-R187 PolarHBondContact O-N 3.43Å; S184-R187 PolarHBondContact O-N 3.36Å; R187-S191 VanDerWaalsContact O-CA 3.25Å; R187-S191 WeakPolarHBondContact O-CA 3.44Å; R187-S191 PolarHBondContact O-N 2.93Å; R187-R192 WeakPolarHBondContact CA-O 3.31Å; R187-R192 VanDerWaalsContact CG-O 3.31Å; R187-R192 WeakPolarHBondContact CG-O 3.41Å
188L97.4Very high97Very high139 Ų13956.3 Ų56.373%0.72828%0.276SS*.Hα-helixtrans-72.2-48.3175.8-68.7169.2000111.4S184 T185 Y186S184-L188 WeakPolarHBondContact O-CG 3.37Å; S184-L188 PolarHBondContact O-N 2.68Å; S184-L188 VanDerWaalsContact O-N 3.09Å; T185-L188 PolarHBondContact O-N 2.84Å; Y186-L188 VanDerWaalsContact C-N 3.3Å; Y186-L188 PolarHBondContact O-N 2.9Å
189F97.9Very high97.1Very high77 Ų7755.3 Ų55.334%0.33827%0.271SS..Hα-helixtrans-68.7-47.4-173.2-176.5-110.8000113.6T185 Y186 D232 C234T185-F189 VanDerWaalsContact O-CB 3.31Å; T185-F189 WeakPolarHBondContact O-CB 3.4Å; T185-F189 PolarHBondContact O-N 3.14Å; Y186-F189 PolarHBondContact O-N 3.46Å; F189-D232 HydrophobicContact CE1-CB 4.02Å; F189-D232 HydrophobicContact CZ-CB 4.37Å; F189-C234 HydrophobicContact CD1-CB 3.82Å; F189-C234 HydrophobicContact CD2-CB 3.75Å; F189-C234 HydrophobicContact CE1-CB 3.8Å; F189-C234 HydrophobicContact CE2-CB 3.73Å; F189-C234 HydrophobicContact CG-CB 3.8Å; F189-C234 VanDerWaalsContact CG-SG 3.59Å; F189-C234 HydrophobicContact CZ-CB 3.76Å
190Y97.8Very high97.1Very high37 Ų3755.3 Ų55.315%0.14527%0.271CS..Hα-helixtrans-92.1-7.2-179.9-64.6-64.9000114Y186 R192 L204 M229 D232Y186-Y190 HydrophobicContact CD1-CD2 4.05Å; Y186-Y190 AromaticContact CD2-CD2 3.61Å; Y186-Y190 HydrophobicContact CD2-CD2 3.61Å; Y186-Y190 AromaticContact CD2-CE2 3.72Å; Y186-Y190 HydrophobicContact CD2-CE2 3.72Å; Y186-Y190 AromaticContact CE1-CD2 3.96Å; Y186-Y190 HydrophobicContact CE1-CD2 3.96Å; Y186-Y190 AromaticContact CE2-CD2 3.52Å; Y186-Y190 HydrophobicContact CE2-CD2 3.52Å; Y186-Y190 AromaticContact CE2-CE2 3.61Å; Y186-Y190 HydrophobicContact CE2-CE2 3.61Å; Y186-Y190 AromaticContact CG-CD2 3.86Å; Y186-Y190 HydrophobicContact CG-CD2 3.86Å; Y186-Y190 HydrophobicContact CG-CE2 4.39Å; Y186-Y190 AromaticContact CZ-CD2 3.68Å; Y186-Y190 PolarHBondContact O-N 3.11Å; Y190-R192 VanDerWaalsContact C-N 3.25Å; Y190-R192 WeakPolarHBondContact O-CG 2.97Å; Y190-R192 PolarHBondContact O-N 3.05Å; Y190-L204 HydrophobicContact CD1-CD2 4.36Å; Y190-L204 HydrophobicContact CD2-CD2 4.31Å; Y190-L204 HydrophobicContact CE1-CD2 3.84Å; Y190-L204 HydrophobicContact CE2-CD1 3.74Å; Y190-L204 HydrophobicContact CE2-CD2 3.79Å; Y190-L204 HydrophobicContact CE2-CG 4.32Å; Y190-L204 WeakPolarHBondContact OH-CD1 3.4Å; Y190-M229 HydrophobicContact CE2-CG 3.65Å; Y190-M229 HydrophobicContact CE2-SD 4.35Å; Y190-D232 HydrophobicContact CE1-CB 4.42Å; Y190-D232 PolarHBondContact OH-OD2 2.96Å
191S97Very high97.1Very high110 Ų11055.3 Ų55.377%0.76927%0.271SS*.  trans5634.1-172.7-63.30000114.3R187R187-S191 VanDerWaalsContact O-CA 3.25Å; R187-S191 WeakPolarHBondContact O-CA 3.44Å; R187-S191 PolarHBondContact O-N 2.93Å
192R93.9Very high97.1Very high122 Ų12260.9 Ų60.946%0.4630%0.297SS..  trans-124.9159.8-176.1-68.8173.7-161.8-169.32112Y186 R187 Y190 D203Y186-R192 HydrophobicContact CE1-CB 4.23Å; R187-R192 WeakPolarHBondContact CA-O 3.31Å; R187-R192 VanDerWaalsContact CG-O 3.31Å; R187-R192 WeakPolarHBondContact CG-O 3.41Å; Y190-R192 VanDerWaalsContact C-N 3.25Å; Y190-R192 WeakPolarHBondContact O-CG 2.97Å; Y190-R192 PolarHBondContact O-N 3.05Å; R192-D203 WeakPolarHBondContact CD-OD2 3.24Å; R192-D203 IonicContact CZ-OD1 3.22Å; R192-D203 IonicContact CZ-OD2 2.77Å; R192-D203 IonicContact NE-OD2 3.43Å; R192-D203 IonicContact NH1-OD1 3.37Å; R192-D203 PolarHBondContact NH1-OD1 3.43Å; R192-D203 IonicContact NH1-OD2 3.55Å; R192-D203 PolarHBondContact NH1-OD2 2.74Å
193K94.6Very high97Very high183 Ų18364.2 Ų64.280%0.79632%0.315SS*.  trans-112.3104.6172.6-69.2-175-179.5-178.30109.8
194P94.8Very high97Very high15 Ų1563.2 Ų63.210%0.09731%0.313CS..  trans-76.6148.9-179.430.1-33.8000112.5W152 R183 Y186 G196 A200W152-P194 HydrophobicContact CH2-CB 4.38Å; W152-P194 HydrophobicContact CH2-CG 3.78Å; W152-P194 HydrophobicContact CZ2-CG 4.18Å; R183-P194 HydrophobicContact CG-CG 4.35Å; Y186-P194 HydrophobicContact CD1-CB 4.41Å; Y186-P194 HydrophobicContact CD1-CG 3.82Å; Y186-P194 HydrophobicContact CE1-CB 4.08Å; Y186-P194 HydrophobicContact CE1-CG 3.99Å; P194-G196 PolarHBondContact O-N 3.27Å; P194-A200 HydrophobicContact CB-CB 3.61Å; P194-A200 HydrophobicContact CG-CB 4.18Å
195K94.7Very high96.9Very high195 Ų19565 Ų6585%0.84834%0.336SS*.SBendtrans-85.183.4172.2-64.9-176179.9-175.90109.9G199K195-G199 VanDerWaalsContact O-CA 3.26Å; K195-G199 WeakPolarHBondContact O-CA 3.46Å; K195-G199 PolarHBondContact O-N 3.3Å; K195-G199 VanDerWaalsContact O-N 3.11Å
196G95.9Very high96.9Very high22 Ų2265.9 Ų65.923%0.22734%0.34CS..Hα-helixtrans64.7-169.6-172.500000113W152 P194 A200W152-G196 VanDerWaalsContact CZ2-O 3.24Å; W152-G196 WeakPolarHBondContact CZ2-O 3.42Å; P194-G196 PolarHBondContact O-N 3.27Å; G196-A200 PolarHBondContact O-N 3.2Å
197L97.4Very high96.9Very high10 Ų1074 Ų745%0.05238%0.378CS..Hα-helixtrans-67.2-51.7-179.2175.561000111.3W152 G199 A200 L201 F208 D218 N221 T222 L225W152-L197 HydrophobicContact CD2-CB 4.06Å; W152-L197 HydrophobicContact CD2-CD1 4.04Å; W152-L197 HydrophobicContact CE3-CD1 3.73Å; W152-L197 HydrophobicContact CG-CB 4.28Å; W152-L197 HydrophobicContact CZ2-CB 4.47Å; W152-L197 HydrophobicContact CZ3-CD1 4.1Å; L197-G199 VanDerWaalsContact C-N 3.29Å; L197-G199 PolarHBondContact O-N 3.13Å; L197-A200 WeakPolarHBondContact O-CA 3.34Å; L197-A200 VanDerWaalsContact O-CB 3.27Å; L197-A200 WeakPolarHBondContact O-CB 3.41Å; L197-A200 PolarHBondContact O-N 3.06Å; L197-L201 HydrophobicContact CG-CD1 4.41Å; L197-L201 PolarHBondContact O-N 3.06Å; L197-F208 HydrophobicContact CD2-CE2 4.35Å; L197-D218 HydrophobicContact CD2-CB 4.12Å; L197-D218 WeakPolarHBondContact CD2-OD1 3.49Å; L197-N221 HydrophobicContact CD2-CB 4.13Å; L197-T222 WeakPolarHBondContact CD1-OG1 3.04Å; L197-T222 WeakPolarHBondContact CD2-OG1 3.44Å; L197-L225 HydrophobicContact CD1-CD2 3.72Å
198N97.4Very high96.9Very high26 Ų2670.1 Ų70.114%0.13936%0.364CS..Hα-helixtrans-56.6-40.9177.8-174.210.1000112.2A200 L201 Q202 F208 E212N198-A200 PolarHBondContact O-N 3.13Å; N198-L201 WeakPolarHBondContact O-CB 3.08Å; N198-L201 PolarHBondContact O-N 3.39Å; N198-L201 VanDerWaalsContact O-N 3.14Å; N198-Q202 VanDerWaalsContact CG-NE2 3.26Å; N198-Q202 PolarHBondContact ND2-NE2 2.88Å; N198-Q202 WeakPolarHBondContact O-CB 3.18Å; N198-Q202 VanDerWaalsContact O-CG 3.32Å; N198-Q202 WeakPolarHBondContact O-CG 3.46Å; N198-Q202 PolarHBondContact O-N 2.92Å; N198-Q202 PolarHBondContact OD1-NE2 2.97Å; N198-F208 HydrophobicContact CB-CD2 4.17Å; N198-E212 WeakPolarHBondContact CB-OE2 3.31Å; N198-E212 PolarHBondContact ND2-OE1 3.32Å; N198-E212 PolarHBondContact ND2-OE2 3.1Å
199G97.6Very high96.9Very high17 Ų1766.9 Ų66.918%0.17535%0.353CS..Hα-helixtrans-64.2-22173.300000115K195 L197 D203K195-G199 VanDerWaalsContact O-CA 3.26Å; K195-G199 WeakPolarHBondContact O-CA 3.46Å; K195-G199 PolarHBondContact O-N 3.3Å; K195-G199 VanDerWaalsContact O-N 3.11Å; L197-G199 VanDerWaalsContact C-N 3.29Å; L197-G199 PolarHBondContact O-N 3.13Å; G199-D203 WeakPolarHBondContact O-CB 3.39Å; G199-D203 PolarHBondContact O-N 3.36Å
200A98Very high96.9Very high0 Ų066 Ų660%037%0.366CS..Hα-helixtrans-80.3-39.3170.700000112.1W152 Y186 P194 G196 L197 N198 L204 L225W152-A200 HydrophobicContact CH2-CB 3.73Å; W152-A200 HydrophobicContact CZ3-CB 4.19Å; Y186-A200 HydrophobicContact CD2-CB 4.1Å; Y186-A200 HydrophobicContact CE2-CB 3.71Å; Y186-A200 PolarHBondContact OH-O 2.87Å; P194-A200 HydrophobicContact CB-CB 3.61Å; P194-A200 HydrophobicContact CG-CB 4.18Å; G196-A200 PolarHBondContact O-N 3.2Å; L197-A200 WeakPolarHBondContact O-CA 3.34Å; L197-A200 VanDerWaalsContact O-CB 3.27Å; L197-A200 WeakPolarHBondContact O-CB 3.41Å; L197-A200 PolarHBondContact O-N 3.06Å; N198-A200 PolarHBondContact O-N 3.13Å; A200-L204 PolarHBondContact O-N 2.86Å; A200-L225 HydrophobicContact CB-CD2 3.72Å
201L98.3Very high96.9Very high0 Ų068.9 Ų68.90%038%0.376CS..Hα-helixtrans-60.6-50.7174.1-62170.6000110.8L197 N198 D203 L204 G205 I206 F208 N221 L225L197-L201 HydrophobicContact CG-CD1 4.41Å; L197-L201 PolarHBondContact O-N 3.06Å; N198-L201 WeakPolarHBondContact O-CB 3.08Å; N198-L201 PolarHBondContact O-N 3.39Å; N198-L201 VanDerWaalsContact O-N 3.14Å; L201-D203 PolarHBondContact O-N 3.38Å; L201-L204 CarbonylContact O-C 3.4Å; L201-L204 PolarHBondContact O-N 2.76Å; L201-L204 VanDerWaalsContact O-N 3.11Å; L201-G205 PolarHBondContact O-N 3.29Å; L201-I206 CarbonylContact C-O 3.55Å; L201-I206 VanDerWaalsContact C-O 3.3Å; L201-I206 HydrophobicContact CB-CB 4.01Å; L201-I206 HydrophobicContact CB-CG2 4.31Å; L201-I206 HydrophobicContact CD2-CB 4.17Å; L201-I206 HydrophobicContact CD2-CD1 4.1Å; L201-I206 HydrophobicContact CD2-CG2 3.94Å; L201-I206 PolarHBondContact O-N 3.22Å; L201-F208 HydrophobicContact CD1-CB 4.25Å; L201-F208 HydrophobicContact CD1-CD2 3.64Å; L201-F208 HydrophobicContact CD1-CE2 4.44Å; L201-F208 HydrophobicContact CD1-CG 4.34Å; L201-N221 HydrophobicContact CD1-CB 3.87Å; L201-L225 HydrophobicContact CD2-CB 3.86Å; L201-L225 HydrophobicContact CD2-CD1 4.42Å
202Q97.7Very high96.8Very high121 Ų12167.8 Ų67.857%0.56536%0.359SS*.Hα-helixtrans-60.5-42.1-179.1-70.1177.126.900112.7N198 L204 G205N198-Q202 VanDerWaalsContact CG-NE2 3.26Å; N198-Q202 PolarHBondContact ND2-NE2 2.88Å; N198-Q202 WeakPolarHBondContact O-CB 3.18Å; N198-Q202 VanDerWaalsContact O-CG 3.32Å; N198-Q202 WeakPolarHBondContact O-CG 3.46Å; N198-Q202 PolarHBondContact O-N 2.92Å; N198-Q202 PolarHBondContact OD1-NE2 2.97Å; Q202-L204 PolarHBondContact O-N 3.05Å; Q202-G205 PolarHBondContact O-N 2.76Å
203D96.6Very high97Very high71 Ų7165 Ų6538%0.3835%0.351SS..Hα-helixtrans-64.6-23.8177.9-176.347.7000112.9Y186 R192 G199 L201Y186-D203 WeakPolarHBondContact OH-CB 3.47Å; Y186-D203 PolarHBondContact OH-OD2 2.9Å; R192-D203 WeakPolarHBondContact CD-OD2 3.24Å; R192-D203 IonicContact CZ-OD1 3.22Å; R192-D203 IonicContact CZ-OD2 2.77Å; R192-D203 IonicContact NE-OD2 3.43Å; R192-D203 IonicContact NH1-OD1 3.37Å; R192-D203 PolarHBondContact NH1-OD1 3.43Å; R192-D203 IonicContact NH1-OD2 3.55Å; R192-D203 PolarHBondContact NH1-OD2 2.74Å; G199-D203 WeakPolarHBondContact O-CB 3.39Å; G199-D203 PolarHBondContact O-N 3.36Å; L201-D203 PolarHBondContact O-N 3.38Å
204L97.4Very high97.1Very high20 Ų2057.2 Ų57.211%0.10532%0.32CS..Hα-helixtrans-93.7-4.9170.8-59.1-170.8000113.8Y186 Y190 A200 L201 Q202 I206 L225 R228Y186-L204 HydrophobicContact CE2-CD1 3.95Å; Y186-L204 HydrophobicContact CE2-CD2 4.41Å; Y186-L204 HydrophobicContact CE2-CG 4.06Å; Y190-L204 HydrophobicContact CD1-CD2 4.36Å; Y190-L204 HydrophobicContact CD2-CD2 4.31Å; Y190-L204 HydrophobicContact CE1-CD2 3.84Å; Y190-L204 HydrophobicContact CE2-CD1 3.74Å; Y190-L204 HydrophobicContact CE2-CD2 3.79Å; Y190-L204 HydrophobicContact CE2-CG 4.32Å; Y190-L204 WeakPolarHBondContact OH-CD1 3.4Å; A200-L204 PolarHBondContact O-N 2.86Å; L201-L204 CarbonylContact O-C 3.4Å; L201-L204 PolarHBondContact O-N 2.76Å; L201-L204 VanDerWaalsContact O-N 3.11Å; Q202-L204 PolarHBondContact O-N 3.05Å; L204-I206 HydrophobicContact CB-CD1 4.38Å; L204-L225 HydrophobicContact CD1-CD1 3.53Å; L204-R228 HydrophobicContact CB-CG 4.46Å; L204-R228 HydrophobicContact CD1-CB 4.5Å; L204-R228 HydrophobicContact CD1-CG 3.76Å; L204-R228 PolarHBondContact O-NH1 2.92Å
205G97.1Very high97.3Very high68 Ų6856.5 Ų56.570%0.70132%0.316SS*.THydrogen-bonded Turntrans78.924.4-177.600000114.7L201 Q202L201-G205 PolarHBondContact O-N 3.29Å; Q202-G205 PolarHBondContact O-N 2.76Å
206I97.4Very high97.5Very high31 Ų3148.2 Ų48.216%0.15928%0.28CS..PPolyproline II helixtrans-92.4142.3168.5-57.6161000108L201 L204 R228L201-I206 CarbonylContact C-O 3.55Å; L201-I206 VanDerWaalsContact C-O 3.3Å; L201-I206 HydrophobicContact CB-CB 4.01Å; L201-I206 HydrophobicContact CB-CG2 4.31Å; L201-I206 HydrophobicContact CD2-CB 4.17Å; L201-I206 HydrophobicContact CD2-CD1 4.1Å; L201-I206 HydrophobicContact CD2-CG2 3.94Å; L201-I206 PolarHBondContact O-N 3.22Å; L204-I206 HydrophobicContact CB-CD1 4.38Å; I206-R228 HydrophobicContact CD1-CB 3.8Å; I206-R228 HydrophobicContact CD1-CG 4Å
207Q97.7Very high97.6Very high172 Ų17248.7 Ų48.780%0.80428%0.277SS*.PPolyproline II helixtrans-94.6139.1170.3-65.5179.8-72.600108.7
208F98.2Very high97.7Very high37 Ų3748.8 Ų48.816%0.16228%0.278CS..PPolyproline II helixtrans-59.9139.6170.8-165-79.9000110L197 N198 L201 R211 E212 D217 D218 N221L197-F208 HydrophobicContact CD2-CE2 4.35Å; N198-F208 HydrophobicContact CB-CD2 4.17Å; L201-F208 HydrophobicContact CD1-CB 4.25Å; L201-F208 HydrophobicContact CD1-CD2 3.64Å; L201-F208 HydrophobicContact CD1-CE2 4.44Å; L201-F208 HydrophobicContact CD1-CG 4.34Å; F208-R211 VanDerWaalsContact CE1-C 3.41Å; F208-E212 HydrophobicContact CD1-CG 3.87Å; F208-E212 HydrophobicContact CD2-CG 3.75Å; F208-E212 HydrophobicContact CE1-CB 4.47Å; F208-E212 HydrophobicContact CE1-CG 3.85Å; F208-E212 HydrophobicContact CE2-CG 3.71Å; F208-E212 HydrophobicContact CG-CG 3.85Å; F208-E212 HydrophobicContact CZ-CB 4.31Å; F208-E212 HydrophobicContact CZ-CG 3.76Å; F208-D217 HydrophobicContact CE1-CB 4.49Å; F208-D218 VanDerWaalsContact CE2-OD1 3.25Å; F208-D218 WeakPolarHBondContact CE2-OD1 3.05Å; F208-D218 WeakPolarHBondContact CZ-OD1 3.41Å; F208-N221 WeakPolarHBondContact CA-OD1 3.34Å; F208-N221 HydrophobicContact CD2-CB 4.21Å; F208-N221 WeakPolarHBondContact CE1-ND2 3.48Å; F208-N221 HydrophobicContact CE2-CB 3.9Å; F208-N221 HydrophobicContact CZ-CB 4.36Å; F208-N221 VanDerWaalsContact CZ-ND2 3.34Å; F208-N221 WeakPolarHBondContact CZ-ND2 3.41Å
209S97.9Very high97.7Very high70 Ų7047.6 Ų47.649%0.4927%0.272SS..  trans-117.9127178.9-173.80000110.3N221S209-N221 PolarHBondContact N-OD1 2.85Å; S209-N221 PolarHBondContact O-ND2 3.16Å
210G97.4Very high97.8Very high59 Ų5950.4 Ų50.461%0.60828%0.277SS*.SBendtrans91.1-149.3-175.900000112.5D217G210-D217 WeakPolarHBondContact CA-OD2 3.17Å
211R97.2Very high97.8Very high97 Ų9750.5 Ų50.537%0.36628%0.277SS..  trans-104.7126.1-178.5-167.3-168.7179.9-73.8-1.6111E93 L94 T95 F208 H213 S214 D217E93-R211 PolarHBondContact O-NH2 2.68Å; L94-R211 VanDerWaalsContact O-CZ 3.3Å; L94-R211 PolarHBondContact O-NH1 2.89Å; L94-R211 PolarHBondContact O-NH2 2.77Å; T95-R211 VanDerWaalsContact C-CZ 3.45Å; T95-R211 PolarHBondContact O-NH1 3.46Å; T95-R211 VanDerWaalsContact O-NH1 3.15Å; F208-R211 VanDerWaalsContact CE1-C 3.41Å; R211-H213 PolarHBondContact NH1-O 2.65Å; R211-S214 PolarHBondContact O-N 2.79Å; R211-D217 PolarHBondContact N-OD2 3.34Å
212E96.5Very high97.9Very high88 Ų8850.5 Ų50.541%0.41128%0.277SS..THydrogen-bonded Turntrans-63.3142.4168.1-72.4178.5-101.400109.9N198 F208 S214N198-E212 WeakPolarHBondContact CB-OE2 3.31Å; N198-E212 PolarHBondContact ND2-OE1 3.32Å; N198-E212 PolarHBondContact ND2-OE2 3.1Å; F208-E212 HydrophobicContact CD1-CG 3.87Å; F208-E212 HydrophobicContact CD2-CG 3.75Å; F208-E212 HydrophobicContact CE1-CB 4.47Å; F208-E212 HydrophobicContact CE1-CG 3.85Å; F208-E212 HydrophobicContact CE2-CG 3.71Å; F208-E212 HydrophobicContact CG-CG 3.85Å; F208-E212 HydrophobicContact CZ-CB 4.31Å; F208-E212 HydrophobicContact CZ-CG 3.76Å; E212-S214 VanDerWaalsContact C-N 3.33Å
213H96.4Very high97.9Very high62 Ų6244.8 Ų44.829%0.28725%0.251SS..THydrogen-bonded Turntrans61.737.6-169.8-54.4-68.5000113.3E42 L94 T95 R211 D218E42-H213 VanDerWaalsContact OE1-C 3.28Å; E42-H213 WeakPolarHBondContact OE1-CA 3.4Å; E42-H213 IonicContact OE1-ND1 3.24Å; L94-H213 VanDerWaalsContact CD1-CD2 3.47Å; L94-H213 WeakPolarHBondContact CD1-CD2 3.25Å; L94-H213 HydrophobicContact CG-CB 4.27Å; L94-H213 VanDerWaalsContact O-CB 3.3Å; L94-H213 WeakPolarHBondContact O-CB 3.34Å; T95-H213 CarbonylContact C-O 3.5Å; T95-H213 WeakPolarHBondContact CA-O 3.35Å; R211-H213 PolarHBondContact NH1-O 2.65Å; H213-D218 VanDerWaalsContact CA-OD2 3.31Å; H213-D218 WeakPolarHBondContact CA-OD2 3.39Å; H213-D218 PolarHBondContact N-OD2 3.4Å
214S98.2Very high98Very high21 Ų2145.5 Ų45.515%0.14725%0.252CS..  trans-123.4113.1159177.80000106.3R211 E212 L216 D217 D218R211-S214 PolarHBondContact O-N 2.79Å; E212-S214 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 2.99Å; S214-D217 PolarHBondContact O-N 3.13Å; S214-D218 PolarHBondContact N-OD2 3.1Å; S214-D218 VanDerWaalsContact N-OD2 3.12Å; S214-D218 PolarHBondContact O-N 2.93Å
215G98.3Very high98.1Very high0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-57.4-32.5-164.600000112.8E58 P60 A219E58-G215 PolarHBondContact OE2-N 3.12Å; P60-G215 WeakPolarHBondContact CG-O 3.44Å; G215-A219 WeakPolarHBondContact O-CB 3.08Å; G215-A219 PolarHBondContact O-N 2.84Å
216L98.6Very high98.1Very high21 Ų2141.3 Ų41.311%0.1121%0.214CC..Hα-helixtrans-68.1-39.8176.7-175.159.7000112.6E58 P60 V62 H76 S214 R220E58-L216 PolarHBondContact OE1-N 2.9Å; P60-L216 HydrophobicContact CB-CB 3.98Å; P60-L216 HydrophobicContact CB-CD1 3.99Å; P60-L216 HydrophobicContact CG-CB 4.48Å; P60-L216 VanDerWaalsContact CG-N 3.32Å; V62-L216 HydrophobicContact CG1-CD1 3.89Å; H76-L216 HydrophobicContact CB-CD2 4.19Å; S214-L216 PolarHBondContact O-N 2.99Å; L216-R220 WeakPolarHBondContact O-CD 3.12Å; L216-R220 WeakPolarHBondContact O-CG 3.39Å; L216-R220 PolarHBondContact O-N 3.23Å; L216-R220 VanDerWaalsContact O-N 3.12Å
217D98.8Very high98.1Very high31 Ų3140.2 Ų40.217%0.16621%0.208CC..Hα-helixtrans-75.2-41.8175.7-76.7-17.7000111F208 G210 R211 S214 A219 R220 N221F208-D217 HydrophobicContact CE1-CB 4.49Å; G210-D217 WeakPolarHBondContact CA-OD2 3.17Å; R211-D217 PolarHBondContact N-OD2 3.34Å; S214-D217 PolarHBondContact O-N 3.13Å; D217-A219 PolarHBondContact O-N 3.31Å; D217-R220 WeakPolarHBondContact O-CB 3.27Å; D217-R220 PolarHBondContact O-N 2.88Å; D217-R220 VanDerWaalsContact O-N 3.16Å; D217-R220 IonicContact OD1-CZ 2.74Å; D217-R220 IonicContact OD1-NH1 3.95Å; D217-R220 PolarHBondContact OD1-NH1 2.63Å; D217-N221 PolarHBondContact O-N 2.91Å; D217-N221 PolarHBondContact O-ND2 3.38Å
218D98.7Very high98.1Very high13 Ų1334.8 Ų34.87%0.0718%0.181CC..Hα-helixtrans-60-42.2172.9-77.6-72.8000111.7D40 L197 F208 H213 S214 R220 N221 T222D40-D218 HydrophobicContact CB-CB 4.19Å; L197-D218 HydrophobicContact CD2-CB 4.12Å; L197-D218 WeakPolarHBondContact CD2-OD1 3.49Å; F208-D218 VanDerWaalsContact CE2-OD1 3.25Å; F208-D218 WeakPolarHBondContact CE2-OD1 3.05Å; F208-D218 WeakPolarHBondContact CZ-OD1 3.41Å; H213-D218 VanDerWaalsContact CA-OD2 3.31Å; H213-D218 WeakPolarHBondContact CA-OD2 3.39Å; H213-D218 PolarHBondContact N-OD2 3.4Å; S214-D218 PolarHBondContact N-OD2 3.1Å; S214-D218 VanDerWaalsContact N-OD2 3.12Å; S214-D218 PolarHBondContact O-N 2.93Å; D218-R220 PolarHBondContact O-N 2.76Å; D218-N221 PolarHBondContact O-N 3.36Å; D218-T222 VanDerWaalsContact O-CB 3.31Å; D218-T222 WeakPolarHBondContact O-CB 3.22Å; D218-T222 PolarHBondContact O-N 2.97Å; D218-T222 PolarHBondContact O-OG1 3.18Å; D218-T222 VanDerWaalsContact O-OG1 3.11Å
219A98.8Very high98.1Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-61.7-40.2173.100000112.7V38 D40 V62 G215 D217 A223V38-A219 HydrophobicContact CG1-CB 4.34Å; V38-A219 WeakPolarHBondContact CG1-O 3.46Å; D40-A219 HydrophobicContact CB-CB 4.32Å; V62-A219 HydrophobicContact CG1-CB 4.47Å; V62-A219 HydrophobicContact CG2-CB 4.22Å; G215-A219 WeakPolarHBondContact O-CB 3.08Å; G215-A219 PolarHBondContact O-N 2.84Å; D217-A219 PolarHBondContact O-N 3.31Å; A219-A223 WeakPolarHBondContact O-CB 3.33Å; A219-A223 PolarHBondContact O-N 3.4Å
220R98.8Very high98.1Very high77 Ų7730.1 Ų30.129%0.29115%0.152SC..Hα-helixtrans-64.3-42.2173.2-73.2163.2177.2156.1-0.7112V62 E74 L216 D217 D218 A223 Q224V62-R220 HydrophobicContact CG1-CG 4.18Å; E74-R220 IonicContact OE1-CZ 3.67Å; E74-R220 IonicContact OE1-NE 2.71Å; E74-R220 PolarHBondContact OE1-NE 2.77Å; E74-R220 IonicContact OE1-NH2 3.76Å; E74-R220 PolarHBondContact OE1-NH2 2.88Å; E74-R220 IonicContact OE2-CZ 3.86Å; E74-R220 IonicContact OE2-NE 3.25Å; E74-R220 IonicContact OE2-NH2 3.25Å; E74-R220 PolarHBondContact OE2-NH2 2.81Å; L216-R220 WeakPolarHBondContact O-CD 3.12Å; L216-R220 WeakPolarHBondContact O-CG 3.39Å; L216-R220 PolarHBondContact O-N 3.23Å; L216-R220 VanDerWaalsContact O-N 3.12Å; D217-R220 WeakPolarHBondContact O-CB 3.27Å; D217-R220 PolarHBondContact O-N 2.88Å; D217-R220 VanDerWaalsContact O-N 3.16Å; D217-R220 IonicContact OD1-CZ 2.74Å; D217-R220 IonicContact OD1-NH1 3.95Å; D217-R220 PolarHBondContact OD1-NH1 2.63Å; D218-R220 PolarHBondContact O-N 2.76Å; R220-A223 WeakPolarHBondContact O-CB 3.26Å; R220-A223 PolarHBondContact O-N 2.87Å; R220-Q224 WeakPolarHBondContact O-CG 3.4Å; R220-Q224 PolarHBondContact O-N 2.71Å
221N98.8Very high98Very high1 Ų133.3 Ų33.31%0.00515%0.146CC..Hα-helixtrans-69.6-39.9178.2-77.3-82.1000111.5L197 L201 F208 S209 D217 D218 A223 Q224 L225L197-N221 HydrophobicContact CD2-CB 4.13Å; L201-N221 HydrophobicContact CD1-CB 3.87Å; F208-N221 WeakPolarHBondContact CA-OD1 3.34Å; F208-N221 HydrophobicContact CD2-CB 4.21Å; F208-N221 WeakPolarHBondContact CE1-ND2 3.48Å; F208-N221 HydrophobicContact CE2-CB 3.9Å; F208-N221 HydrophobicContact CZ-CB 4.36Å; F208-N221 VanDerWaalsContact CZ-ND2 3.34Å; F208-N221 WeakPolarHBondContact CZ-ND2 3.41Å; S209-N221 PolarHBondContact N-OD1 2.85Å; S209-N221 PolarHBondContact O-ND2 3.16Å; D217-N221 PolarHBondContact O-N 2.91Å; D217-N221 PolarHBondContact O-ND2 3.38Å; D218-N221 PolarHBondContact O-N 3.36Å; N221-A223 VanDerWaalsContact C-N 3.32Å; N221-A223 PolarHBondContact O-N 3.44Å; N221-Q224 PolarHBondContact O-N 3.2Å; N221-L225 WeakPolarHBondContact O-CB 3.38Å; N221-L225 PolarHBondContact O-N 2.96Å
222T98.8Very high98Very high0 Ų031.2 Ų31.20%014%0.142CC..Hα-helixtrans-60.2-39.7170.6-68.80000111V38 D40 L150 L182 L197 D218 L225 A226V38-T222 HydrophobicContact CG1-CG2 3.42Å; V38-T222 VanDerWaalsContact CG1-CG2 3.42Å; D40-T222 PolarHBondContact OD2-OG1 3.2Å; L150-T222 HydrophobicContact CD2-CG2 3.46Å; L150-T222 VanDerWaalsContact CD2-CG2 3.46Å; L182-T222 HydrophobicContact CD2-CG2 3.81Å; L197-T222 WeakPolarHBondContact CD1-OG1 3.04Å; L197-T222 WeakPolarHBondContact CD2-OG1 3.44Å; D218-T222 VanDerWaalsContact O-CB 3.31Å; D218-T222 WeakPolarHBondContact O-CB 3.22Å; D218-T222 PolarHBondContact O-N 2.97Å; D218-T222 PolarHBondContact O-OG1 3.18Å; D218-T222 VanDerWaalsContact O-OG1 3.11Å; T222-L225 PolarHBondContact O-N 2.83Å; T222-A226 WeakPolarHBondContact O-CB 3.3Å; T222-A226 PolarHBondContact O-N 3.15Å
223A98.7Very high97.9Very high2 Ų229.6 Ų29.62%0.01715%0.148CC..Hα-helixtrans-64-4417200000112.5V38 V62 L64 A219 R220 N221 L225 A226 V227V38-A223 HydrophobicContact CB-CB 4.45Å; V38-A223 HydrophobicContact CG2-CB 3.9Å; V62-A223 HydrophobicContact CG2-CB 4.05Å; L64-A223 HydrophobicContact CB-CB 4.49Å; L64-A223 HydrophobicContact CD2-CB 4.25Å; A219-A223 WeakPolarHBondContact O-CB 3.33Å; A219-A223 PolarHBondContact O-N 3.4Å; R220-A223 WeakPolarHBondContact O-CB 3.26Å; R220-A223 PolarHBondContact O-N 2.87Å; N221-A223 VanDerWaalsContact C-N 3.32Å; N221-A223 PolarHBondContact O-N 3.44Å; A223-L225 VanDerWaalsContact C-N 3.33Å; A223-L225 PolarHBondContact O-N 2.89Å; A223-A226 PolarHBondContact O-N 2.73Å; A223-V227 WeakPolarHBondContact O-CG2 3.26Å; A223-V227 PolarHBondContact O-N 3.16Å
224Q98.4Very high97.9Very high86 Ų8627 Ų2740%0.40214%0.137SC..Hα-helixtrans-62.2-38.6174.4-70.2-177.544.800112.5R220 N221 V227 R228R220-Q224 WeakPolarHBondContact O-CG 3.4Å; R220-Q224 PolarHBondContact O-N 2.71Å; N221-Q224 PolarHBondContact O-N 3.2Å; Q224-V227 PolarHBondContact O-N 3.33Å; Q224-R228 PolarHBondContact O-N 3.3Å
225L98.6Very high97.8Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-63.8-45.8174.8-178.455.7000111.3W152 L182 Y186 L197 A200 L201 L204 N221 T222 A223 V227 R228 M229W152-L225 HydrophobicContact CE3-CD2 4.28Å; W152-L225 HydrophobicContact CH2-CD2 4.5Å; W152-L225 HydrophobicContact CZ3-CD2 3.68Å; L182-L225 HydrophobicContact CD2-CB 4.12Å; L182-L225 HydrophobicContact CD2-CD2 3.98Å; L182-L225 HydrophobicContact CD2-CG 3.94Å; Y186-L225 HydrophobicContact CD2-CD1 4.1Å; Y186-L225 HydrophobicContact CD2-CD2 4.35Å; Y186-L225 HydrophobicContact CE2-CD1 4.01Å; L197-L225 HydrophobicContact CD1-CD2 3.72Å; A200-L225 HydrophobicContact CB-CD2 3.72Å; L201-L225 HydrophobicContact CD2-CB 3.86Å; L201-L225 HydrophobicContact CD2-CD1 4.42Å; L204-L225 HydrophobicContact CD1-CD1 3.53Å; N221-L225 WeakPolarHBondContact O-CB 3.38Å; N221-L225 PolarHBondContact O-N 2.96Å; T222-L225 PolarHBondContact O-N 2.83Å; A223-L225 VanDerWaalsContact C-N 3.33Å; A223-L225 PolarHBondContact O-N 2.89Å; L225-V227 PolarHBondContact O-N 2.82Å; L225-R228 PolarHBondContact O-N 2.78Å; L225-M229 HydrophobicContact CD1-SD 4.45Å; L225-M229 HydrophobicContact CG-SD 4.26Å; L225-M229 WeakPolarHBondContact O-CG 3.26Å; L225-M229 PolarHBondContact O-N 3.11Å
226A98.4Very high97.7Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-58-47.5173.700000111.3L64 L150 L182 T222 A223 R228 M229 M230 L236L64-A226 HydrophobicContact CD2-CB 4.23Å; L150-A226 HydrophobicContact CD1-CB 4.07Å; L182-A226 HydrophobicContact CD1-CB 4.37Å; L182-A226 HydrophobicContact CD2-CB 4.18Å; T222-A226 WeakPolarHBondContact O-CB 3.3Å; T222-A226 PolarHBondContact O-N 3.15Å; A223-A226 PolarHBondContact O-N 2.73Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 2.89Å; A226-M229 PolarHBondContact O-N 3.16Å; A226-M230 VanDerWaalsContact O-CG 3.27Å; A226-M230 WeakPolarHBondContact O-CG 3.32Å; A226-M230 PolarHBondContact O-N 3.31Å; A226-L236 HydrophobicContact CB-CD1 4.05Å
227V98Very high97.6Very high7 Ų733.9 Ų33.94%0.04217%0.168CC..Hα-helixtrans-57.1-41.7175.2169.60000112.2I28 L64 A223 Q224 L225 M230 R231I28-V227 HydrophobicContact CD1-CG1 4.08Å; L64-V227 HydrophobicContact CD1-CG2 3.44Å; L64-V227 VanDerWaalsContact CD1-CG2 3.44Å; L64-V227 HydrophobicContact CD2-CG2 3.72Å; L64-V227 HydrophobicContact CG-CG2 4.2Å; A223-V227 WeakPolarHBondContact O-CG2 3.26Å; A223-V227 PolarHBondContact O-N 3.16Å; Q224-V227 PolarHBondContact O-N 3.33Å; L225-V227 PolarHBondContact O-N 2.82Å; V227-M230 HydrophobicContact CB-CE 4.48Å; V227-M230 HydrophobicContact CG2-CE 4.06Å; V227-R231 VanDerWaalsContact CG1-NH1 3.34Å; V227-R231 WeakPolarHBondContact O-CB 3.38Å; V227-R231 VanDerWaalsContact O-CG 3.29Å; V227-R231 WeakPolarHBondContact O-CG 3.47Å; V227-R231 PolarHBondContact O-N 2.8Å
228R97.6Very high97.4Very high58 Ų5835.4 Ų35.422%0.21918%0.179CC..Hα-helixtrans-68.7-41.8176.7175.958-168.4-62.3-27.6112.3L204 I206 Q224 L225 A226 M230 R231 D232L204-R228 HydrophobicContact CB-CG 4.46Å; L204-R228 HydrophobicContact CD1-CB 4.5Å; L204-R228 HydrophobicContact CD1-CG 3.76Å; L204-R228 PolarHBondContact O-NH1 2.92Å; I206-R228 HydrophobicContact CD1-CB 3.8Å; I206-R228 HydrophobicContact CD1-CG 4Å; Q224-R228 PolarHBondContact O-N 3.3Å; L225-R228 PolarHBondContact O-N 2.78Å; A226-R228 VanDerWaalsContact C-N 3.3Å; A226-R228 PolarHBondContact O-N 2.89Å; R228-M230 VanDerWaalsContact C-N 3.34Å; R228-M230 PolarHBondContact O-N 2.69Å; R228-R231 PolarHBondContact O-N 2.88Å; R228-D232 IonicContact CZ-OD1 3.85Å; R228-D232 IonicContact CZ-OD2 3.5Å; R228-D232 VanDerWaalsContact CZ-OD2 3.32Å; R228-D232 IonicContact NE-OD1 3.74Å; R228-D232 PolarHBondContact NE-OD1 2.81Å; R228-D232 IonicContact NE-OD2 2.9Å; R228-D232 PolarHBondContact NE-OD2 2.84Å; R228-D232 VanDerWaalsContact NE-OD2 3.07Å; R228-D232 IonicContact NH2-OD1 2.76Å; R228-D232 PolarHBondContact NH2-OD1 3Å; R228-D232 IonicContact NH2-OD2 3.79Å; R228-D232 PolarHBondContact NH2-OD2 3.38Å; R228-D232 PolarHBondContact O-N 3.33Å
229M97.8Very high97.3Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-59.7-44.8175-77.6174.958.900111.4L182 T185 Y186 Y190 L225 A226 R231 D232 G233 C234 L236L182-M229 HydrophobicContact CD1-CE 3.77Å; L182-M229 HydrophobicContact CD1-SD 3.64Å; L182-M229 HydrophobicContact CG-SD 4.11Å; T185-M229 HydrophobicContact CG2-CE 3.8Å; Y186-M229 HydrophobicContact CD2-SD 3.83Å; Y186-M229 HydrophobicContact CG-SD 4.42Å; Y190-M229 HydrophobicContact CE2-CG 3.65Å; Y190-M229 HydrophobicContact CE2-SD 4.35Å; L225-M229 HydrophobicContact CD1-SD 4.45Å; L225-M229 HydrophobicContact CG-SD 4.26Å; L225-M229 WeakPolarHBondContact O-CG 3.26Å; L225-M229 PolarHBondContact O-N 3.11Å; A226-M229 PolarHBondContact O-N 3.16Å; M229-R231 VanDerWaalsContact C-N 3.34Å; M229-R231 PolarHBondContact O-N 3.01Å; M229-D232 PolarHBondContact O-N 3.3Å; M229-G233 PolarHBondContact O-N 3.07Å; M229-C234 HydrophobicContact CB-CB 3.94Å; M229-C234 WeakPolarHBondContact O-CB 3.27Å; M229-C234 PolarHBondContact O-N 2.78Å; M229-L236 HydrophobicContact CE-CD2 4.21Å
230M97.4Very high97Very high9 Ų941.5 Ų41.54%0.04421%0.207CC..Hα-helixtrans-62.2-39.9175.8-64.8-174.7-64.100112I28 Q31 L36 L64 T66 A226 V227 R228 G233 L236I28-M230 HydrophobicContact CG2-CB 3.54Å; I28-M230 HydrophobicContact CG2-SD 4.43Å; Q31-M230 VanDerWaalsContact CD-CG 3.49Å; Q31-M230 VanDerWaalsContact CD-SD 3.54Å; Q31-M230 HydrophobicContact CG-CB 4.43Å; Q31-M230 HydrophobicContact CG-CG 4.11Å; Q31-M230 HydrophobicContact CG-SD 3.57Å; Q31-M230 VanDerWaalsContact CG-SD 3.57Å; L36-M230 HydrophobicContact CD1-CE 4.45Å; L36-M230 HydrophobicContact CD1-SD 4.28Å; L64-M230 HydrophobicContact CD2-CE 4.11Å; T66-M230 HydrophobicContact CG2-CE 4.29Å; T66-M230 HydrophobicContact CG2-SD 4.05Å; A226-M230 VanDerWaalsContact O-CG 3.27Å; A226-M230 WeakPolarHBondContact O-CG 3.32Å; A226-M230 PolarHBondContact O-N 3.31Å; V227-M230 HydrophobicContact CB-CE 4.48Å; V227-M230 HydrophobicContact CG2-CE 4.06Å; R228-M230 VanDerWaalsContact C-N 3.34Å; R228-M230 PolarHBondContact O-N 2.69Å; M230-G233 PolarHBondContact O-N 3.22Å; M230-L236 HydrophobicContact CG-CD1 3.64Å; M230-L236 HydrophobicContact CG-CG 3.87Å; M230-L236 HydrophobicContact SD-CD1 3.7Å; M230-L236 HydrophobicContact SD-CG 4.32Å
231R95.7Very high96.8Very high127 Ų12740.7 Ų40.748%0.47921%0.214SC..Hα-helixtrans-69.4-29175-73.5172.1-179.1156.18114.1I28 V227 R228 M229 G233I28-R231 HydrophobicContact CD1-CG 3.97Å; I28-R231 HydrophobicContact CG1-CG 3.97Å; V227-R231 VanDerWaalsContact CG1-NH1 3.34Å; V227-R231 WeakPolarHBondContact O-CB 3.38Å; V227-R231 VanDerWaalsContact O-CG 3.29Å; V227-R231 WeakPolarHBondContact O-CG 3.47Å; V227-R231 PolarHBondContact O-N 2.8Å; R228-R231 PolarHBondContact O-N 2.88Å; M229-R231 VanDerWaalsContact C-N 3.34Å; M229-R231 PolarHBondContact O-N 3.01Å; R231-G233 VanDerWaalsContact C-N 3.25Å
232D95.9Very high96.2Very high53 Ų5343.9 Ų43.928%0.28323%0.23SC..THydrogen-bonded Turntrans-80.2-4.6172.8-79.6-3.1000112.6F189 Y190 R228 M229F189-D232 HydrophobicContact CE1-CB 4.02Å; F189-D232 HydrophobicContact CZ-CB 4.37Å; Y190-D232 HydrophobicContact CE1-CB 4.42Å; Y190-D232 PolarHBondContact OH-OD2 2.96Å; R228-D232 IonicContact CZ-OD1 3.85Å; R228-D232 IonicContact CZ-OD2 3.5Å; R228-D232 VanDerWaalsContact CZ-OD2 3.32Å; R228-D232 IonicContact NE-OD1 3.74Å; R228-D232 PolarHBondContact NE-OD1 2.81Å; R228-D232 IonicContact NE-OD2 2.9Å; R228-D232 PolarHBondContact NE-OD2 2.84Å; R228-D232 VanDerWaalsContact NE-OD2 3.07Å; R228-D232 IonicContact NH2-OD1 2.76Å; R228-D232 PolarHBondContact NH2-OD1 3Å; R228-D232 IonicContact NH2-OD2 3.79Å; R228-D232 PolarHBondContact NH2-OD2 3.38Å; R228-D232 PolarHBondContact O-N 3.33Å; M229-D232 PolarHBondContact O-N 3.3Å
233G95.3Very high95.1Very high53 Ų5348.5 Ų48.555%0.54625%0.252SS..THydrogen-bonded Turntrans108.37.9174.600000115.9M229 M230 R231 V235M229-G233 PolarHBondContact O-N 3.07Å; M230-G233 PolarHBondContact O-N 3.22Å; R231-G233 VanDerWaalsContact C-N 3.25Å; G233-V235 PolarHBondContact O-N 2.66Å
234C96.3Very high93Very high7 Ų759.6 Ų59.65%0.04729%0.293CS..  trans-75122.8177.8-163.30000111Q31 F189 M229Q31-C234 PolarHBondContact NE2-O 3.14Å; F189-C234 HydrophobicContact CD1-CB 3.82Å; F189-C234 HydrophobicContact CD2-CB 3.75Å; F189-C234 HydrophobicContact CE1-CB 3.8Å; F189-C234 HydrophobicContact CE2-CB 3.73Å; F189-C234 HydrophobicContact CG-CB 3.8Å; F189-C234 VanDerWaalsContact CG-SG 3.59Å; F189-C234 HydrophobicContact CZ-CB 3.76Å; M229-C234 HydrophobicContact CB-CB 3.94Å; M229-C234 WeakPolarHBondContact O-CB 3.27Å; M229-C234 PolarHBondContact O-N 2.78Å
235V96.1Very high90.3Very high61 Ų6161 Ų6137%0.3731%0.308SS..  trans-89.7110.2170.2-179.80000108.7I32 G233I32-V235 HydrophobicContact CD1-CG1 3.94Å; I32-V235 HydrophobicContact CG1-CG1 4.05Å; G233-V235 PolarHBondContact O-N 2.66Å
236L96Very high87.6Confident1 Ų166.9 Ų66.91%0.00535%0.346CS..  trans-73.8134.5-176.9-60.9-178.8000110.8L36 L150 I180 L182 T185 A226 M229 M230L36-L236 HydrophobicContact CD1-CD1 3.7Å; L150-L236 HydrophobicContact CD1-CD1 4.18Å; I180-L236 HydrophobicContact CD1-CB 3.87Å; L182-L236 HydrophobicContact CD1-CD2 4.12Å; T185-L236 HydrophobicContact CG2-CD2 3.84Å; A226-L236 HydrophobicContact CB-CD1 4.05Å; M229-L236 HydrophobicContact CE-CD2 4.21Å; M230-L236 HydrophobicContact CG-CD1 3.64Å; M230-L236 HydrophobicContact CG-CG 3.87Å; M230-L236 HydrophobicContact SD-CD1 3.7Å; M230-L236 HydrophobicContact SD-CG 4.32Å
237K95.7Very high84.4Confident126 Ų12672 Ų7255%0.54838%0.382SS..  trans-137.9147.7-174-71.2175.6-178.2-179.20109.6I32 I180 T239I32-K237 HydrophobicContact CD1-CD 4.44Å; I32-K237 HydrophobicContact CD1-CG 3.71Å; I180-K237 WeakPolarHBondContact CG1-O 3.35Å; K237-T239 WeakPolarHBondContact O-CG2 3.16Å; K237-T239 PolarHBondContact O-N 2.59Å
238T95.7Very high81.5Confident63 Ų6380.3 Ų80.339%0.38742%0.422SS..  trans-53.2126.1168.2-53.80000110.1S178 R240S178-T238 VanDerWaalsContact OG-CG2 3.31Å; S178-T238 WeakPolarHBondContact OG-CG2 3.31Å; T238-R240 WeakPolarHBondContact CG2-O 3.28Å
239T95.7Very high78.6Confident60 Ų6084.1 Ų84.137%0.36845%0.452SS..  trans-115.6-17.2179.453.20000112.8W179 D181 K237W179-T239 PolarHBondContact O-N 3.04Å; D181-T239 WeakPolarHBondContact CB-OG1 3.46Å; D181-T239 PolarHBondContact N-OG1 3.04Å; K237-T239 WeakPolarHBondContact O-CG2 3.16Å; K237-T239 PolarHBondContact O-N 2.59Å
240R94.3Very high75.6Confident80 Ų8092.1 Ų92.130%0.30249%0.486SS..EExtended strand (participates in β ladder)trans-129.7140.6-177.3-57.8-60.9-177.3138.711.1111.2D154 S178 W179 D181 T238D154-R240 WeakPolarHBondContact OD1-CD 3.32Å; D154-R240 WeakPolarHBondContact OD1-CG 3.43Å; D154-R240 IonicContact OD1-CZ 3.88Å; D154-R240 VanDerWaalsContact OD1-CZ 3.22Å; D154-R240 IonicContact OD1-NE 2.71Å; D154-R240 PolarHBondContact OD1-NE 3.2Å; D154-R240 IonicContact OD1-NH1 2.68Å; D154-R240 PolarHBondContact OD1-NH1 2.77Å; D154-R240 IonicContact OD1-NH2 2.65Å; D154-R240 IonicContact OD2-CZ 3.7Å; D154-R240 VanDerWaalsContact OD2-CZ 3.24Å; D154-R240 IonicContact OD2-NH1 2.66Å; D154-R240 PolarHBondContact OD2-NH1 2.91Å; D154-R240 IonicContact OD2-NH2 2.78Å; S178-R240 WeakPolarHBondContact CA-O 3.32Å; W179-R240 HydrophobicContact CD2-CB 3.73Å; W179-R240 VanDerWaalsContact CE2-CB 3.44Å; W179-R240 HydrophobicContact CE3-CB 4.25Å; W179-R240 HydrophobicContact CG-CB 4.16Å; W179-R240 HydrophobicContact CH2-CB 4.17Å; W179-R240 HydrophobicContact CZ2-CB 3.68Å; W179-R240 HydrophobicContact CZ2-CG 4.1Å; W179-R240 HydrophobicContact CZ3-CB 4.45Å; W179-R240 PolarHBondContact N-O 3.39Å; W179-R240 PolarHBondContact O-N 3.27Å; W179-R240 VanDerWaalsContact O-N 3.07Å; D181-R240 HydrophobicContact CB-CG 3.86Å; D181-R240 IonicContact OD2-CZ 2.85Å; D181-R240 IonicContact OD2-NE 2.8Å; D181-R240 PolarHBondContact OD2-NE 2.74Å; D181-R240 IonicContact OD2-NH2 3.45Å; D181-R240 PolarHBondContact OD2-NH2 3.23Å; T238-R240 WeakPolarHBondContact CG2-O 3.28Å
241S93.1Very high72.5Confident60 Ų6096.6 Ų96.642%0.4252%0.519SS..EExtended strand (participates in β ladder)trans-150.2139.3168.8178.30000109.5S177 E243S177-S241 CarbonylContact O-C 3.49Å; S177-S241 VanDerWaalsContact O-CA 3.26Å; S177-S241 WeakPolarHBondContact O-CA 3.47Å; S241-E243 PolarHBondContact OG-N 3.42Å
242L85.9Confident69.5Low68 Ų6899.5 Ų99.536%0.35654%0.535SS..  trans-97.42179-66169.7000113.2Q162 S177 W179 R244Q162-L242 HydrophobicContact CG-CD1 4.28Å; S177-L242 PolarHBondContact O-N 3.37Å; W179-L242 HydrophobicContact CH2-CD1 3.74Å; W179-L242 HydrophobicContact CH2-CD2 4.11Å; W179-L242 HydrophobicContact CH2-CG 3.68Å; W179-L242 HydrophobicContact CZ3-CD1 3.69Å; W179-L242 HydrophobicContact CZ3-CG 3.73Å; L242-R244 PolarHBondContact O-N 2.78Å
243E75.7Confident66.7Low97 Ų97104.3 Ų104.345%0.45356%0.56SS.*  trans-63.3124179-74179.4-109.300111.5K133 S241 T245K133-E243 WeakPolarHBondContact CD-OE2 3.39Å; K133-E243 WeakPolarHBondContact CE-OE1 3.49Å; K133-E243 WeakPolarHBondContact CE-OE2 3.38Å; K133-E243 IonicContact NZ-OE1 3.97Å; K133-E243 PolarHBondContact NZ-OE1 3.05Å; K133-E243 IonicContact NZ-OE2 3.22Å; K133-E243 PolarHBondContact NZ-OE2 3.31Å; S241-E243 PolarHBondContact OG-N 3.42Å; E243-T245 PolarHBondContact O-N 3.1Å; E243-T245 VanDerWaalsContact O-N 3.11Å
244R55.2Low63.6Low236 Ų236108.1 Ų108.189%0.89157%0.568SS**  trans-66.6109.1164.1-70176174.2160.2-3.9108.6L242 P246L242-R244 PolarHBondContact O-N 2.78Å; R244-P246 WeakPolarHBondContact O-CD 3.38Å
245T41Very low60.5Low116 Ų116117.3 Ų117.371%0.71261%0.607SS**  trans-52.5125.5160.349.50000108.6E243 S247E243-T245 PolarHBondContact O-N 3.1Å; E243-T245 VanDerWaalsContact O-N 3.11Å; T245-S247 PolarHBondContact O-N 2.88Å
246P42.3Very low57.4Low123 Ų123121.3 Ų121.380%0.79963%0.626SS**  trans-58.8113.7169.8-22.433.7000108.4R244 M248R244-P246 WeakPolarHBondContact O-CD 3.38Å; P246-M248 PolarHBondContact O-N 3Å
247S32.2Very low54.4Low106 Ų106127.9 Ų127.974%0.74167%0.666SS**  trans-58.4110.1172.6-64.80000107.7T245 V249T245-S247 PolarHBondContact O-N 2.88Å; S247-V249 PolarHBondContact O-N 3.04Å
248M37.4Very low51.6Low183 Ų183127.3 Ų127.390%0.90168%0.675SS**  trans-60.3101.8174.8-79.9-172.1-78.800108.5P246 K250P246-M248 PolarHBondContact O-N 3Å; M248-K250 PolarHBondContact O-N 3.01Å
249V36.6Very low48.7Very low138 Ų138130.2 Ų130.284%0.83670%0.695SS**  trans-60.6106.8173.2179.50000106.3S247 S251S247-V249 PolarHBondContact O-N 3.04Å; V249-S251 PolarHBondContact O-N 3.38Å; V249-S251 VanDerWaalsContact O-N 3.09Å
250K34.6Very low45.6Very low167 Ų167133.1 Ų133.173%0.72672%0.718SS**  trans-59119.2174.3-73.8-175177.1-179.80107.4M248 F252M248-K250 PolarHBondContact O-N 3.01Å; K250-F252 HydrophobicContact CB-CE2 4.26Å; K250-F252 WeakPolarHBondContact O-CD2 3.12Å; K250-F252 PolarHBondContact O-N 2.68Å
251S32.1Very low42.6Very low103 Ų103138.2 Ų138.272%0.7275%0.745SS**  trans-63.899173-176.90000108.5V249 L253V249-S251 PolarHBondContact O-N 3.38Å; V249-S251 VanDerWaalsContact O-N 3.09Å; S251-L253 PolarHBondContact O-N 2.71Å
252F32.8Very low39.5Very low189 Ų189144.4 Ų144.483%0.82976%0.764SS**  trans-74.681171.5-76.3-81.6000108.4K250 N254K250-F252 HydrophobicContact CB-CE2 4.26Å; K250-F252 WeakPolarHBondContact O-CD2 3.12Å; K250-F252 PolarHBondContact O-N 2.68Å; F252-N254 PolarHBondContact O-N 3.47Å
253L36.6Very low36.9Very low154 Ų154149.2 Ų149.281%0.80679%0.789SS**  trans-61.7118.3173-90.9168.5000109.8S251S251-L253 PolarHBondContact O-N 2.71Å
254N31.5Very low34.7Very low132 Ų132152.5 Ų152.571%0.70680%0.804SS**  trans-58.2132.2-172.9-171.16.9000112.2F252F252-N254 PolarHBondContact O-N 3.47Å
255K31Very low33.4Very low201 Ų201148.7 Ų148.787%0.87480%0.796SS**  trans-14089171.8-79.7-165.7174.3-173.30110.8
256N29.6Very low32.8Very low145 Ų145151.6 Ų151.678%0.77580%0.799SS**  trans-116.2104.1168-79.1-28.1000109.6
257V33.8Very low32.2Very low138 Ų138153.8 Ų153.884%0.83680%0.799SS**  trans-141.8131161.7-176.80000107.1
258P35.9Very low32Very low115 Ų115155 Ų15575%0.74780%0.797SS**  trans-72.6165.9-179.2-16.632000113.6
259P35.1Very low31.6Very low123 Ų123153.5 Ų153.580%0.79979%0.793SS**  trans-78.3162179.933.4-35.9000113.2
260S31Very low31.3Very low121 Ų121151.1 Ų151.185%0.84679%0.787SS**  trans-146.7158.9163.7-70.40000109
261E31.3Very low31.1Very low187 Ų187154.7 Ų154.787%0.87480%0.796SS**  trans-88.7179.1-154.8-63.2-166.599.100116.2
262K28.5Very low31Very low190 Ų190159.2 Ų159.283%0.82680%0.803SS**  trans-49.9146.9-176.6-53.4159-175.6163.90113.8
263I31.3Very low30.8Very low170 Ų170159.3 Ų159.387%0.87280%0.803SS**  trans-151.6163.1133.2-105.5152.8000109.1
264Q29.4Very low30.5Very low166 Ų166155.8 Ų155.878%0.77680%0.796SS**  trans-90.7159.3-164.7-58.9151.6-59.800113.5
265E27.4Very low30.3Very low155 Ų155156.1 Ų156.172%0.72480%0.798SS**  trans59.1155.8153-73.5-176.1-171.500118.2
266K28.4Very low30.1Very low177 Ų177155.5 Ų155.577%0.7780%0.796SS**  cis-148.8178.112.7-137.3159.6-174125.20110.1
267Q28.9Very low29.9Very low169 Ų169154.8 Ų154.879%0.7979%0.791SS**  trans-80.1144174.5-51.8165.5-59.200111.5
268N28.7Very low29.6Very low133 Ų133155 Ų15571%0.71179%0.788SS**  159.4136.8114.9-82.2-17.1000116.2
269D28.7Very low29.1Very low150 Ų150154.9 Ų154.980%0.80279%0.789SS**  trans67.4162.9137-77.3-54.6000126.8
270A31.7Very low28.7Very low88 Ų88153 Ų15373%0.72778%0.779SS**  trans84.852.4146.500000122.5K272A270-K272 PolarHBondContact O-N 2.84Å
271R29.1Very low28.6Very low242 Ų242155.7 Ų155.791%0.91378%0.776SS**  22.598.9114.9-173.4-166.3-165.6-177.16.8118.7
272K30.6Very low28.3Very low199 Ų199153.7 Ų153.787%0.86577%0.771SS**  trans165.9171.5142.7-94.1159.1-174.6178.10110.4A270A270-K272 PolarHBondContact O-N 2.84Å
273K28Very low28.5Very low190 Ų190149.3 Ų149.383%0.82676%0.764SS**  cis176.1133.2-45.8-179.4-179.5-178.9-174.10107.2
274A30.5Very low28.6Very low80 Ų80146.7 Ų146.766%0.66176%0.761SS**  trans66.5171.5173.200000116
275N27.5Very low28.7Very low139 Ų139143.7 Ų143.774%0.74376%0.759SS**  cis-168168-43.9-92.5-8.3000107.9
276F26.5Very low28.8Very low189 Ų189142.9 Ų142.983%0.82976%0.759SS**  trans64.2170173.8-72.5-97.3000116
277L26.6Very low29Very low129 Ų129141.7 Ų141.768%0.67576%0.76SS**  -170.9160.5-57.3-141.488.7000108.2
278N26Very low29.1Very low143 Ų143138.4 Ų138.477%0.76576%0.755SS**  trans64120.6165.2-73.7-16.6000117
279S26.3Very low29.2Very low112 Ų112140.4 Ų140.478%0.78377%0.765SS**  110.5155.675.8-159.50000108.9
280S27.1Very low29.5Very low83 Ų83143.3 Ų143.358%0.5877%0.77SS**  cis-157.6157.912.297.10000113.1
281K28.4Very low29.4Very low179 Ų179144.1 Ų144.178%0.77878%0.777SS**  trans46.4132.9143.4-54.4168.5-176.4174.50122.4
282N25.2Very low29.4Very low145 Ų145138.4 Ų138.478%0.77577%0.773SS**  175.2121.1109.6-93.7-6.7000109.7
283S33.2Very low29.7Very low97 Ų97136 Ų13668%0.67877%0.765SS**  72.7127.979.380.60000113.6
284S31.9Very low29.8Very low115 Ų115135.3 Ų135.380%0.80476%0.762SS**  cis-146.4-160-1.7-64.10000107.7
285S32Very low29.6Very low104 Ų104140.4 Ų140.473%0.72777%0.772SS**  cis-158.5-159.65.255.80000106.1
286N30.4Very low30.3Very low138 Ų138138.8 Ų138.874%0.73877%0.769SS**  cis-166.4171.4-6.7-129.4-12000105.7
287I31.6Very low30.4Very low152 Ų152138.3 Ų138.378%0.77977%0.769SS**  cis-148.4-148.2-10.2-159.9168.2000107.1
288S30.6Very low30.4Very low99 Ų99137.1 Ų137.169%0.69277%0.772SS**  trans-159.2162.6178.7-168.50000114.7
289L30.5Very low30.4Very low176 Ų176135.1 Ų135.192%0.92177%0.769SS**  trans-142165.7164.9-83.9-178.5000112.2
290K36.8Very low30.4Very low210 Ų210134.3 Ų134.391%0.91376%0.763SS**  trans-130.1152.1-158.7-96.7177.3171.7175.70114.7
291A27.9Very low30.4Very low106 Ų106136.1 Ų136.188%0.87678%0.776SS**  trans-161.9159.4148.600000111.3
292C30.5Very low30.3Very low121 Ų121131.5 Ų131.582%0.81878%0.779SS**  trans-169.4137.7-178.41780000113.8
293Q36.1Very low30.6Very low150 Ų150133.8 Ų133.870%0.70179%0.785SS**  trans169.6144.5132.3-96.1-177.139.400116.6
294K29.3Very low30.3Very low175 Ų175134.9 Ų134.976%0.76179%0.788SS**  trans67.1105.2145.7-68.9167.3177.21560123.7
295H27.8Very low30.4Very low187 Ų187134.9 Ų134.987%0.86679%0.786SS**  12.7164.3113.8-85.3-41.1000122.4
296P41.6Very low30.2Very low105 Ų105137.6 Ų137.668%0.68279%0.787SS**  cis-144.5176.320.544.9-26.6000119.7
297Q28.2Very low30.2Very low178 Ų178136.3 Ų136.383%0.83279%0.789SS**  trans62.7161.9162.9-40.7-152.4900117.1
298S26.4Very low30.3Very low105 Ų105136.9 Ų136.973%0.73479%0.793SS**  cis-168.1163.8020.90000108
299S27.2Very low30.4Very low100 Ų100140.2 Ų140.270%0.69980%0.801SS**  cis-171178.5-12.555.50000111.3
300S25.6Very low30.7Very low95 Ų95137 Ų13766%0.66479%0.793SS**  trans59.3116.414657.60000123.6
301S27.5Very low31.1Very low122 Ų122133 Ų13385%0.85379%0.789SS**  trans37.9131.8134.163.30000123
302G26.7Very low31.4Very low81 Ų81137.1 Ų137.184%0.83579%0.787SS**  trans-175.4113.1157.300000114.8
303Q31.5Very low31.7Very low193 Ų193137.8 Ų137.890%0.90279%0.787SS**  trans-84.7137.3152.9-65.8171.9-47.800108
304T25.3Very low31.5Very low121 Ų121138.3 Ų138.374%0.74279%0.794SS**  -169.1152.2126.722.80000112.3
305C34.7Very low31.7Very low115 Ų115137.5 Ų137.578%0.77780%0.797SS**  trans-93.5138.1164.346.50000110.4
306H29Very low31.8Very low160 Ų160136.3 Ų136.374%0.74180%0.797SS**  trans-133.5115.8162.1-66.7-83.9000106.4
307S29Very low31.2Very low112 Ų112137.2 Ų137.278%0.78380%0.801SS**  76.6117.756.8-164.20000111.9
308L34.4Very low31.2Very low164 Ų164134.8 Ų134.886%0.85980%0.798SS**  trans-84.5135.5-178.4-64.5165.4000110.4
309I32.3Very low31.4Very low169 Ų169136.1 Ų136.187%0.86780%0.802SS**  trans-163.4143.9149.2-101.9146.7000108.6
310S37.3Very low31.7Very low107 Ų107135.7 Ų135.775%0.74880%0.804SS**  trans-93165.7-179.5-42.90000112.4
311P44.4Very low32.3Very low128 Ų128137.3 Ų137.383%0.83181%0.813SS**  trans-108.9164.2143.134.6-28.2000112.3
312K35.4Very low32.4Very low191 Ų191139.5 Ų139.583%0.8381%0.814SS**  trans-113.2175.2177-75.5-178174.61790110.8
313T36.9Very low32.6Very low135 Ų135145.9 Ų145.983%0.82882%0.819SS**  trans72.2151.7161.613.90000114.4
314L31.6Very low32.4Very low161 Ų161140.1 Ų140.184%0.84381%0.811SS**  cis-137.9173.419.7-116.1171.7000113.4
315L32.7Very low32.8Very low158 Ų158142.7 Ų142.783%0.82782%0.815SS**  trans-86.5153.8171.4-74.7156.2000111.9
316N30Very low32.6Very low162 Ų162144.2 Ų144.287%0.86682%0.821SS**  trans-158.8165.9134.8-144.7-3.1000113.5
317V28.6Very low32.7Very low124 Ų124143 Ų14375%0.75282%0.82SS**  trans-134.4126.7-173.4173.30000112.3
318T29.2Very low32.9Very low127 Ų127147.7 Ų147.778%0.77983%0.826SS**  trans-179.8155.5158.732.90000108
319T30.4Very low32.7Very low134 Ų134145 Ų14582%0.82282%0.821SS**  cis-154.1164.5-0.40.50000108.9
320A34Very low32.7Very low90 Ų90142.7 Ų142.774%0.74481%0.814SS**  trans-101.9153.7173.800000113.2
321P37.5Very low32.3Very low129 Ų129143.4 Ų143.484%0.83882%0.815SS**  trans-91159.7164.636.5-32.7000112.2
322L30.6Very low31.9Very low168 Ų168141.1 Ų141.188%0.8881%0.807SS**  trans-144.1117.2-167.6-165.2162.8000113.3
323K29.3Very low31.7Very low215 Ų215140.2 Ų140.294%0.93581%0.805SS**  trans-177.7150.7159.5-106.7172.9-178.8-178.90108.5
324G27.6Very low31.4Very low72 Ų72139 Ų13974%0.74280%0.797SS**  cis-152.5-165.82.700000112.7
325Q33.1Very low31.3Very low176 Ų176137.4 Ų137.482%0.82279%0.794SS**  trans-85.5158.8-161.8-60.3151.9-67.600115.7
326T31.1Very low32.3Very low146 Ų146134.2 Ų134.290%0.89678%0.782SS**  -167.2150.5120.312.90000111.5
327D31.8Very low32.4Very low136 Ų136134.4 Ų134.473%0.72778%0.778SS**  trans-94.6153.9-164.5-47.3-93.6000115.5
328K32.5Very low32.5Very low210 Ų210135.5 Ų135.591%0.91378%0.778SS**  -166.6160.1119.8-101.9152.3-170.9174.30113.2
329S31.4Very low32.7Very low108 Ų108136.6 Ų136.676%0.75578%0.779SS**  trans-80.9170.8-172.551.90000112.7
330V31.2Very low32.8Very low119 Ų119137 Ų13772%0.72178%0.775SS**  -167.7137.476154.20000111.4
331T29.9Very low32.6Very low123 Ų123137.4 Ų137.476%0.75577%0.773SS**  trans34.7120.8164.356.40000120.7
332A34.3Very low32.3Very low80 Ų80137.6 Ų137.666%0.66177%0.771SS**  77.7140.761.600000114.1
333H32.9Very low32.5Very low171 Ų171135.9 Ų135.979%0.79277%0.768SS**  cis-160.6154.62.8-115.6-34.4000112.2
334V29Very low33.5Very low110 Ų110130.9 Ų130.967%0.66776%0.757SS**  trans67.2122.51441740000118.3
335V30.6Very low33.6Very low128 Ų128132.2 Ų132.278%0.77676%0.755SS**  cis77.6164.332.8-167.70000110.3
336P52.6Low33.4Very low90 Ų90130.8 Ų130.858%0.58475%0.753SS**  cis-127.9174.6-1.56.721.7000118.8
337H32.6Very low33.2Very low167 Ų167129.2 Ų129.277%0.77375%0.747SS**  trans54.1152.3141.4-62.6-47.2000122.4
338L31.4Very low33Very low146 Ų146128.5 Ų128.576%0.76475%0.752SS**  cis130164.3-2.7-101.1167.2000111.5
339L32.1Very low33.1Very low151 Ų151123.9 Ų123.979%0.79175%0.747SS**  trans86.6143.7173.8-53.1178.8000116.9
340L32.5Very low33.8Very low142 Ų142124.4 Ų124.474%0.74375%0.748SS**  cis-167.6148.5-24.1-166.871.1000111.3
341S31.2Very low33.6Very low99 Ų99125.1 Ų125.169%0.69276%0.757SS**  trans63.6164.4156.754.40000118.3
342T31Very low33.5Very low132 Ų132123 Ų12381%0.8176%0.759SS**  cis-148.5160.612.9-26.40000112.3
343V34.7Very low33.3Very low132 Ų132125.6 Ų125.680%0.876%0.762SS**  trans-106.4-176.9164-111.50000108.9
344P49.2Very low33.4Very low110 Ų110127.8 Ų127.871%0.71476%0.763SS**  cis-134.9178.4535.6-14.6000116.3
345S29.8Very low33.4Very low101 Ų101127.4 Ų127.471%0.70677%0.765SS**  150.6134.4119.7-65.20000116.7
346N29.1Very low33.4Very low146 Ų146125.8 Ų125.878%0.78176%0.759SS**  trans48.3104.8144.8-64.30.8000123.6
347C26.7Very low32.5Very low112 Ų112126 Ų12676%0.75776%0.763SS**  52.7117108.8-60.50000123.1
348S28.3Very low32.3Very low121 Ų121127 Ų12785%0.84677%0.768SS**  86.9130.3127.9-57.10000121.6
349S34.6Very low32.1Very low113 Ų113126.7 Ų126.779%0.7977%0.772SS**  trans-73.6174.4175.3-34.60000113.9
350P45.3Very low32Very low120 Ų120126.4 Ų126.478%0.77977%0.77SS**  -152.8150.895.138.7-20.7000119.1
351C28.5Very low31.6Very low134 Ų134128.7 Ų128.791%0.90578%0.775SS**  trans46.3140136.8-58.30000125.7
352G27.7Very low31.6Very low79 Ų79128.7 Ų128.781%0.81478%0.775SS**  trans116.9146.4149.600000115.6
353D30.6Very low31.6Very low133 Ų133128.3 Ų128.371%0.71177%0.772SS**  cis-160.2166.4-19.2-168.418.3000108.7
354R33.1Very low31.5Very low218 Ų218127.6 Ų127.682%0.82377%0.768SS**  trans35.1139.1161.8-68.5157.9-163.9-105-2.8120.3
355S30.7Very low30.7Very low102 Ų102128.9 Ų128.971%0.71377%0.774SS**  cis-176.7153.243.4-161.50000114
356S30.8Very low30.7Very low93 Ų93130.8 Ų130.865%0.6578%0.776SS**  trans39.6123.2141.6640000124.6
357S32.4Very low30.7Very low95 Ų95128.6 Ų128.666%0.66477%0.771SS**  83.2118121.267.20000125.2
358H28.2Very low30.8Very low187 Ų187130.3 Ų130.387%0.86677%0.771SS**  86.4143.8126.3-81.7-54000124.8
359V28.5Very low30.8Very low140 Ų140129.8 Ų129.885%0.84877%0.768SS**  trans87.3165.4156.9172.30000118.4
360L28.4Very low30.5Very low146 Ų146129.6 Ų129.676%0.76477%0.767SS**  trans-126.8172.8-149-68.5156.6000113.8
361F25.7Very low29.8Very low189 Ų189131.3 Ų131.383%0.82977%0.768SS**  trans76.498.7157.6-77.7-74000121.7
362S31.3Very low30.6Very low100 Ų100130.2 Ų130.270%0.69976%0.76SS**  44.8120.2112.8-172.90000123
363T31.1Very low30.7Very low123 Ų123134.4 Ų134.476%0.75576%0.758SS**  trans-145.5129.3144.548.90000107.3
364T30.8Very low30.6Very low117 Ų117133.1 Ų133.172%0.71875%0.754SS**  51.3132.670.666.70000112.6
365V34.2Very low30.2Very low137 Ų137129.2 Ų129.283%0.8375%0.754SS**  cis-146.817621.7-74.70000110.1
366D29Very low30.2Very low142 Ų142133.2 Ų133.276%0.75976%0.759SS**  cis-177-161.8-33.1-168.2-100.1000107.3
367C29.1Very low29.8Very low100 Ų100135.9 Ų135.968%0.67677%0.771SS**  trans74.6140.5161.7-68.20000119.2
368I28.5Very low29.6Very low147 Ų147136.3 Ų136.375%0.75478%0.775SS**  cis-151.9146.52.2-106.8154.4000110.8
369S28.9Very low29.5Very low110 Ų110133.2 Ų133.277%0.76977%0.768SS**  trans20.5160.7156.589.50000123.3
370S28.3Very low29.5Very low110 Ų110132.6 Ų132.677%0.76976%0.76SS**  cis-156.1163.622.959.30000114.9
371L29.8Very low29.7Very low155 Ų155134.3 Ų134.381%0.81277%0.765SS**  trans-113.4157.5171.7-154.387.6000110
372P46.4Very low29.9Very low112 Ų112133.6 Ų133.673%0.72776%0.764SS**  -147.7-179.4103.843.4-28.5000112.2
373H28.6Very low29.9Very low167 Ų167136.6 Ų136.677%0.77377%0.767SS**  cis-148-170-2-154.5-104.9000110.3
374V28.9Very low29.8Very low106 Ų106141.2 Ų141.264%0.64277%0.77SS**  trans-129.5149.1171.5173.20000111.5
375V25.6Very low29.7Very low135 Ų135142.7 Ų142.782%0.81877%0.774SS**  trans-138.9146155.2179.50000109
376K29.7Very low29.4Very low186 Ų186141.9 Ų141.981%0.80977%0.769SS**  trans-121.1154171.7-63.4179.5178.8-179.70110.2
377T23.3Very low29.3Very low149 Ų149142.7 Ų142.791%0.91477%0.772SS**  trans-146.3158.8148.428.90000110
378S27.4Very low29.3Very low105 Ų105143.3 Ų143.373%0.73477%0.773SS**  trans-119.1173.5-176.9510000111.4
379V27.1Very low29.2Very low121 Ų121144.5 Ų144.573%0.73378%0.775SS**  trans163.1101134.5159.10000109.5
380D28.3Very low29.1Very low128 Ų128145 Ų14568%0.68477%0.774SS**  50.9133.1122.3-39.2-34.8000123.4
381E31.6Very low29.1Very low182 Ų182146.8 Ų146.885%0.8578%0.775SS**  trans69.2156155-43.9-103.9115.600117.1
382E29.8Very low29.3Very low173 Ų173148.3 Ų148.381%0.80878%0.778SS**  cis-142.7172.511.7-156.3-174.1-152.300111.8
383E31.5Very low28.7Very low164 Ų164153.3 Ų153.377%0.76678%0.782SS**  trans-82.6141.6-169.3178.4-177.1-146.400115.8
384R28.9Very low28.9Very low219 Ų219148.7 Ų148.783%0.82677%0.768SS**  trans-161.1118.4149.4-157.6157.1-61.6-116.1-5.7114.8
385D29.8Very low28.9Very low148 Ų148146.3 Ų146.379%0.79176%0.764SS**  trans-63.5139.6166.1-87.5-38.2000112.6
386V26.3Very low29.3Very low120 Ų120143.5 Ų143.573%0.72775%0.751SS**  trans-129.5108.4160.5178.70000108.7V388V386-V388 HydrophobicContact CG1-CG2 4.31Å; V386-V388 PolarHBondContact O-N 3.04Å; V386-V388 VanDerWaalsContact O-N 3.13Å
387L28.1Very low30.1Very low159 Ų159140.2 Ų140.283%0.83273%0.734SS**  trans-75.999-179.1-153.7158.5000109.3E389L387-E389 HydrophobicContact CD2-CG 4.34Å; L387-E389 PolarHBondContact O-N 2.7Å
388V27.5Very low30.8Very low113 Ų113136.5 Ų136.569%0.68571%0.709SS**  trans-86.6102.2179-179.40000109.8V386 T390V386-V388 HydrophobicContact CG1-CG2 4.31Å; V386-V388 PolarHBondContact O-N 3.04Å; V386-V388 VanDerWaalsContact O-N 3.13Å; V388-T390 PolarHBondContact O-N 3.4Å
389E26.4Very low31.2Very low173 Ų173138.6 Ų138.681%0.80871%0.712SS**  trans-67.1110165.8-68.6-174.3130.500109.6L387 D391L387-E389 HydrophobicContact CD2-CG 4.34Å; L387-E389 PolarHBondContact O-N 2.7Å; E389-D391 VanDerWaalsContact C-N 3.32Å; E389-D391 PolarHBondContact O-N 3.11Å
390T27.6Very low31.6Very low121 Ų121136.1 Ų136.174%0.74270%0.697SS**  trans-76.682.6172.851.70000110V388 E392V388-T390 PolarHBondContact O-N 3.4Å; T390-E392 PolarHBondContact O-N 3.2Å
391D28.7Very low31.8Very low146 Ų146136.3 Ų136.378%0.78170%0.702SS**  trans-68.497.5-178.7-161.728.7000110.8E389 R393E389-D391 VanDerWaalsContact C-N 3.32Å; E389-D391 PolarHBondContact O-N 3.11Å; D391-R393 VanDerWaalsContact C-N 3.35Å; D391-R393 PolarHBondContact O-N 3.02Å
392E34.9Very low31.9Very low188 Ų188132.1 Ų132.188%0.87969%0.685SS**  trans-64.782.7-174.6-72.4-169123.600113T390 C394T390-E392 PolarHBondContact O-N 3.2Å; E392-C394 PolarHBondContact O-N 3.34Å
393R32Very low31.9Very low216 Ų216130 Ų13082%0.81568%0.683SS**  trans-92.869-179.3-161.4169.1-176.7162.71.5113.2D391 G395D391-R393 VanDerWaalsContact C-N 3.35Å; D391-R393 PolarHBondContact O-N 3.02Å; R393-G395 PolarHBondContact O-N 3.27Å
394C33.8Very low31.9Very low71 Ų71126.5 Ų126.548%0.4868%0.678SS.*  trans-54.9125.4161.81800000109.7E392E392-C394 PolarHBondContact O-N 3.34Å
395G28.9Very low31.9Very low55 Ų55123.5 Ų123.557%0.56768%0.678SS**  trans-92.1100.1-179.400000111.3R393 Y397R393-G395 PolarHBondContact O-N 3.27Å; G395-Y397 PolarHBondContact O-N 2.87Å
396S34.4Very low32Very low76 Ų76125.2 Ų125.253%0.53168%0.681SS.*  trans-60.5137.4172.162.30000110.9D398S396-D398 WeakPolarHBondContact CB-OD2 3.4Å; S396-D398 PolarHBondContact O-N 2.92Å; S396-D398 VanDerWaalsContact OG-CG 3.25Å; S396-D398 PolarHBondContact OG-OD2 3.08Å
397Y45.1Very low32.1Very low117 Ų117126.6 Ų126.646%0.45969%0.69SS.*  trans-80.949.7-169.4-146.1-86.7000112.7Q54 W155 G395 V400Q54-Y397 VanDerWaalsContact CD-CZ 3.42Å; Q54-Y397 PolarHBondContact OE1-OH 2.95Å; Q54-Y397 VanDerWaalsContact OE1-OH 3.07Å; W155-Y397 AromaticContact CD1-CD1 3.49Å; W155-Y397 VanDerWaalsContact CD1-CD1 3.49Å; W155-Y397 AromaticContact CD1-CE1 3.84Å; W155-Y397 HydrophobicContact CG-CD1 4.37Å; W155-Y397 AromaticContact NE1-CD1 3.27Å; W155-Y397 VanDerWaalsContact NE1-CD1 3.27Å; W155-Y397 AromaticContact NE1-CE1 3.35Å; G395-Y397 PolarHBondContact O-N 2.87Å; Y397-V400 HydrophobicContact CD1-CG2 4.19Å; Y397-V400 HydrophobicContact CE1-CG2 3.62Å
398D39.3Very low32.2Very low71 Ų71127.7 Ų127.738%0.3869%0.691SS.*  trans-96.7-13.2-153.2-83-15.4000116.8R183 S396R183-D398 IonicContact CZ-OD1 3.72Å; R183-D398 IonicContact CZ-OD2 3.37Å; R183-D398 IonicContact NH1-OD1 2.74Å; R183-D398 PolarHBondContact NH1-OD1 2.86Å; R183-D398 IonicContact NH1-OD2 3.39Å; R183-D398 VanDerWaalsContact NH2-CG 3.28Å; R183-D398 IonicContact NH2-OD1 2.59Å; R183-D398 PolarHBondContact NH2-OD1 3.2Å; R183-D398 IonicContact NH2-OD2 3.23Å; R183-D398 PolarHBondContact NH2-OD2 2.81Å; S396-D398 WeakPolarHBondContact CB-OD2 3.4Å; S396-D398 PolarHBondContact O-N 2.92Å; S396-D398 VanDerWaalsContact OG-CG 3.25Å; S396-D398 PolarHBondContact OG-OD2 3.08Å
399D35.3Very low32.2Very low149 Ų149129.1 Ų129.180%0.79770%0.7SS**  trans-139.479.6-174.9-88.6-52.3000111.7
400V34.6Very low32.4Very low69 Ų69127 Ų12742%0.41869%0.694SS.*  trans-114.7110.4167.5178.10000109.5Y397 L402Y397-V400 HydrophobicContact CD1-CG2 4.19Å; Y397-V400 HydrophobicContact CE1-CG2 3.62Å; V400-L402 HydrophobicContact CG1-CD1 4.2Å; V400-L402 HydrophobicContact CG1-CG 4.06Å
401V33Very low32.4Very low132 Ų132128.3 Ų128.380%0.870%0.702SS**  trans-109.8112.2178.51790000109
402L34.8Very low32.5Very low94 Ų94127.4 Ų127.449%0.49270%0.702SS.*  trans-102.8128.5-178.1-74165000112.2Y163 V400Y163-L402 HydrophobicContact CD2-CD1 3.78Å; Y163-L402 HydrophobicContact CE1-CD1 4.13Å; Y163-L402 HydrophobicContact CE2-CD1 3.28Å; Y163-L402 HydrophobicContact CG-CD1 4.43Å; Y163-L402 VanDerWaalsContact CZ-CD1 3.47Å; V400-L402 HydrophobicContact CG1-CD1 4.2Å; V400-L402 HydrophobicContact CG1-CG 4.06Å
403V29.9Very low32.3Very low128 Ų128124.3 Ų124.378%0.77670%0.701SS**  trans-85.9144.2169.5178.60000108.3
404S30.1Very low32.1Very low92 Ų92117.6 Ų117.664%0.64370%0.699SS**  trans-110.9122.6173.5-64.70000110
405D30.4Very low31.8Very low156 Ų156118.1 Ų118.183%0.83472%0.717SS**  trans-71.3145.5172.1-64.1-47.3000111.4
406Q31.5Very low31.9Very low184 Ų184124.8 Ų124.886%0.8673%0.733SS**  trans-135.4142.1163.9-66.9-171.812.400108.3
407T28.2Very low31.8Very low148 Ų148128.1 Ų128.191%0.90875%0.75SS**  trans-77.6146.5-175.245.20000112.7
408E30.1Very low31.1Very low182 Ų182125.8 Ų125.885%0.8576%0.761SS**  trans-83.5146.1-173.2-57.8172.4136.500113.3
409T28Very low30.5Very low144 Ų144132.8 Ų132.888%0.88378%0.784SS**  trans-146.1123147.251.50000108.7
410D28.9Very low30.2Very low127 Ų127131.5 Ų131.568%0.67978%0.781SS**  trans-76148.5-174.5-74.5-74.7000114.9
411T28.9Very low30.1Very low149 Ų149132.9 Ų132.991%0.91479%0.794SS**  -153.6145.7128.2-19.90000110.2
412V31Very low29.9Very low128 Ų128133.7 Ų133.778%0.77679%0.794SS**  trans-118.7129.9-170.8174.80000112.1
413S29.8Very low29.6Very low122 Ų122140.1 Ų140.185%0.85381%0.813SS**  trans-153.1145.8148.3-167.70000109.5
414G27.3Very low29.6Very low76 Ų76141.3 Ų141.378%0.78482%0.815SS**  trans-106.3154.6-171.500000114.1
415G28.2Very low29.5Very low82 Ų82140.8 Ų140.885%0.84582%0.824SS**  trans-166120.2171.600000110.6
416E31.1Very low29.4Very low194 Ų194143 Ų14391%0.90782%0.821SS**  trans-107.7111.4-171.4179.8178.5-157.100111.4
417V32.6Very low29.2Very low146 Ų146140 Ų14089%0.88582%0.819SS**  trans-144126.4161.1-172.90000108.6
418G29.1Very low29.1Very low68 Ų68138.9 Ų138.970%0.70180%0.803SS**  trans-92.4147.4176.200000113
419Y27.2Very low28.9Very low219 Ų219138.2 Ų138.286%0.85980%0.801SS**  trans-142.2144.4164-151-97.4000110.5
420V29.2Very low28.8Very low122 Ų122143.5 Ų143.574%0.73980%0.804SS**  trans-124.1132.5-178.41750000108.8
421S32.2Very low28.8Very low97 Ų97145.3 Ų145.368%0.67881%0.814SS**  trans-142.991170.249.20000111
422D28.4Very low28.8Very low149 Ų149141 Ų14180%0.79780%0.799SS**  trans-63.8135.7160-72.3-51.3000109.3
423Y30Very low28.7Very low229 Ų229143.4 Ų143.490%0.89880%0.804SS**  trans-132.1117.5163.4-106.5-88.5000109.6
424N28.9Very low28.7Very low154 Ų154143.7 Ų143.782%0.82480%0.796SS**  trans-127.894.9-176-174.116.5000109
425G29Very low28.9Very low81 Ų81147.8 Ų147.884%0.83579%0.794SS**  trans-93.4107.2-176.700000112.1
426R26.6Very low29Very low201 Ų201148.5 Ų148.576%0.75879%0.786SS**  trans-117.5124.6171.4-179.3-179.6174179.9-3.7109.8
427C27.7Very low29Very low123 Ų123147.8 Ų147.883%0.83178%0.783SS**  trans-86.7141.8172.4-56.70000111.2
428Q27.7Very low28.9Very low123 Ų123150 Ų15058%0.57578%0.783SS**  trans-153.1125.4150.6-94.4176.4-72.300105
429E25.8Very low28.9Very low169 Ų169156 Ų15679%0.7979%0.79SS**  75.9117.263.6-167.5174-11800111.1
430W25.8Very low28.8Very low254 Ų254156.7 Ų156.796%0.96279%0.791SS**  trans-145.8145.9-175.3-85.271.1000109
431D28.1Very low28.8Very low166 Ų166156.8 Ų156.889%0.88879%0.792SS**  trans-154.5156.2-174.3-144.2-10.8000111.5
432G28.4Very low28.5Very low57 Ų57159.8 Ų159.859%0.58880%0.795SS**  trans105.4116.2179.600000115.1
433M28.8Very low28.5Very low179 Ų179158.9 Ų158.988%0.88280%0.795SS**  73.8137.967.7-85.985.9164.100114.8
434D29.9Very low29.3Very low129 Ų129153 Ų15369%0.6979%0.785SS**  cis-168.6-177.6-16-165.47.7000110
435H31.3Very low29.2Very low162 Ų162151.9 Ų151.975%0.7578%0.779SS**  trans85.4150165.6-52.1-24.5000119
436S31.4Very low29.2Very low97 Ų97154.9 Ų154.968%0.67878%0.775SS**  cis-168.1151.4-30.267.60000112.8
437Q30.8Very low29.3Very low178 Ų178151 Ų15183%0.83277%0.768SS**  trans57.6127.5159.5-56.8-165.530.600122.3
438H29.6Very low29.3Very low192 Ų192152.8 Ų152.889%0.88977%0.77SS**  -160.6158.8115.4-122.4-91.5000112.4
439K31Very low29.4Very low196 Ų196153.3 Ų153.385%0.85278%0.776SS**  trans-101.6147.4178.1-65.1175.4177.2175.70112.4
440R25.2Very low29.6Very low233 Ų233152.2 Ų152.288%0.87978%0.782SS**  -162.3175.4127.1-118.8-175.7-171.3-151.72.2114.2
441T27.4Very low29.9Very low123 Ų123150.6 Ų150.676%0.75578%0.775SS**  trans-111.4-176.3-166.3-30.10000110.8
442E26.3Very low29.8Very low161 Ų161148.7 Ų148.775%0.75277%0.765SS**  trans106.3109.8157.7-65.8153.5-13400118.8
443T29.9Very low29.8Very low130 Ų130151.1 Ų151.180%0.79877%0.773SS**  trans-82.2163.4141.250.50000108.8
444P45.7Very low29.7Very low105 Ų105147.5 Ų147.568%0.68277%0.765SS**  cis-155.2-177.237.443.9-21.7000119.3
445N27.3Very low29.6Very low131 Ų131150.1 Ų150.170%0.70178%0.775SS**  trans60.7127138.9-77.5-4.9000124
446I28.8Very low29.5Very low144 Ų144146.5 Ų146.574%0.73877%0.774SS**  69.8141.1124.7-63.5172.4000117
447L27.7Very low29.2Very low118 Ų118154 Ų15462%0.61879%0.787SS**  cis-143.6157.66.1-165.766.3000109.3
448N29.6Very low29.1Very low162 Ų162154.5 Ų154.587%0.86679%0.787SS**  -162.7126.7124-106.2-22.5000111.1
449N28.9Very low29Very low133 Ų133150.8 Ų150.871%0.71178%0.782SS**  trans-106.3143179.2-83.3-34.2000110.2
450T30.3Very low29.1Very low147 Ų147147.4 Ų147.490%0.90278%0.778SS**  trans-139.1139.1149.7-19.80000109.6
451R32.1Very low29.3Very low220 Ų220142.1 Ų142.183%0.8377%0.767SS**  trans-81.1176.2172.7-61.8178.1168.6159.6-5.8108.6
452D26.5Very low29.5Very low126 Ų126141.1 Ų141.167%0.67477%0.765SS**  cis-169.8162.438.2-137.4-51.9000116
453S27.3Very low29.8Very low108 Ų108139.2 Ų139.276%0.75576%0.76SS**  trans64.4176.2146.1-76.50000121.7
454S26.9Very low29.7Very low103 Ų103138.3 Ų138.372%0.7275%0.754SS**  trans-157.2162.8-145.167.80000116.8
455M28.2Very low28.9Very low183 Ų183141.2 Ų141.290%0.90176%0.758SS**  trans70.2158.7151.8-74.8-159.3-173.700122.6
456A29.1Very low28.9Very low86 Ų86141.9 Ų141.971%0.71177%0.767SS**  trans75154.4168.600000115.4
457W24.8Very low28.8Very low255 Ų255142 Ų14297%0.96676%0.762SS**  cis-122.7178.320.5-81.848.7000115
458K29.6Very low28.8Very low189 Ų189143.9 Ų143.982%0.82277%0.773SS**  trans-129.8157-175.4-56.8173.7179176.70112.5
459S27.4Very low28.8Very low113 Ų113143.9 Ų143.979%0.7977%0.768SS**  trans-175.2128.8132.8-81.70000109.4
460V32Very low28.8Very low126 Ų126142 Ų14276%0.76477%0.771SS**  90.9135.450.3166.70000111.6
461N29.3Very low28.8Very low122 Ų122139.7 Ų139.765%0.65276%0.761SS**  cis-104.4-137.63.1-160.910000111.5N463N461-N463 PolarHBondContact ND2-OD1 3Å
462S32.3Very low28.7Very low102 Ų102138.6 Ų138.671%0.71376%0.762SS**  cis-173.3157.4-3.219.10000107.6
463N31.8Very low28.9Very low120 Ų120141.2 Ų141.264%0.64277%0.77SS**  cis-163.1170.1-10-119.224.7000109.6N461N461-N463 PolarHBondContact ND2-OD1 3Å
464V28.8Very low30.1Very low111 Ų111140.5 Ų140.567%0.67376%0.763SS**  trans32100.3147.4-176.40000117.4
465E28.6Very low30.3Very low166 Ų166143 Ų14378%0.77676%0.763SS**  70.8129.972.5-69.4-169.4146.900117
466V27Very low30.3Very low145 Ų145142.2 Ų142.288%0.87976%0.757SS**  -157.2143.9118.7149.90000108.3
467F26.6Very low30.2Very low146 Ų146143.1 Ų143.164%0.6476%0.758SS**  trans-85.4148.9-179.9-109.5-111.8000113.2
468N27.4Very low30.4Very low159 Ų159136.9 Ų136.985%0.8575%0.748SS**  -168.216699.1-111.1-44.3000115
469Q29.8Very low30.3Very low161 Ų161132.6 Ų132.675%0.75274%0.743SS**  trans-129.4178.5-165.3-118.2-177.9-18.600113
470A29.7Very low30.4Very low95 Ų95138.3 Ų138.379%0.78575%0.747SS**  trans81.5145.2160.400000118.2
471S30Very low30.3Very low97 Ų97140.5 Ų140.568%0.67875%0.749SS**  cis-169.6174.3-17.951.60000111.4
472K28.7Very low30.4Very low198 Ų198140.3 Ų140.386%0.86176%0.757SS**  trans88.8120.6162.5-60.4180-179.7179.50119
473E32.2Very low30.4Very low180 Ų180141.9 Ų141.984%0.84176%0.757SS**  trans-75.9-168.9146-46-169127.200109.7
474P51.5Low30.4Very low94 Ų94146.3 Ų146.361%0.6177%0.771SS**  cis-139.8-168-0.620.78.4000115.8
475H30.9Very low30.5Very low155 Ų155147 Ų14772%0.71878%0.779SS**  trans92.3110.6155.6-61.9-67.5000121.8
476Q28.8Very low30.4Very low166 Ų166148.8 Ų148.878%0.77679%0.785SS**  50.8115.2123.2-70.6-178.7-26.900122.3
477S27.2Very low30.6Very low105 Ų105146.4 Ų146.473%0.73478%0.78SS**  94.4165.4119.679.80000121.8
478T27.8Very low30.8Very low124 Ų124145.5 Ų145.576%0.76179%0.786SS**  trans79.5128.2167.4670000122.6
479S27.6Very low31.2Very low100 Ų100143.8 Ų143.870%0.69978%0.784SS**  trans49119.8144.652.60000123.2
480R30.9Very low31.2Very low233 Ų233145.3 Ų145.388%0.87979%0.788SS**  25.9125.6120.6-58.8176.1176.6-178.8-1.7115.5
481Q29.3Very low31.3Very low171 Ų171147.3 Ų147.380%0.79979%0.791SS**  178.1147.561-141.7169.1-37.600110.5
482S31.8Very low31.3Very low118 Ų118148 Ų14883%0.82579%0.791SS**  trans168.3149.9133.944.20000111.9
483D31.2Very low31.3Very low136 Ų136145.1 Ų145.173%0.72778%0.784SS**  trans-92.2154.1-166.6-50.8-95.8000114.2
484K32.6Very low31.1Very low212 Ų212147.8 Ų147.892%0.92279%0.787SS**  trans-157.9137.7140.5-104.6137.9-168.8173.30111.1
485C30.1Very low30Very low126 Ų126147.7 Ų147.785%0.85179%0.789SS**  trans-82.7159.9-170.3-63.50000113.9
486F28.1Very low30Very low203 Ų203150.2 Ų150.289%0.8980%0.798SS**  trans-59149163.5-88.4-121.4000111.9
487A31.3Very low30Very low95 Ų95150.3 Ų150.379%0.78580%0.803SS**  trans-126.2138.6159.400000109
488V30.3Very low30.2Very low127 Ų127153.6 Ų153.677%0.7781%0.812SS**  trans-105.2123.6-174.7177.70000110.1
489P35.1Very low30.3Very low123 Ų123151 Ų15180%0.79981%0.809SS**  trans-68141.6171.4-18.332.1000111.9
490K31.4Very low30.5Very low193 Ų193155 Ų15584%0.83982%0.817SS**  trans-103.9142.8170.9-77-173.5176.6-178.80111.5
491V30.4Very low30.4Very low138 Ų138152.2 Ų152.284%0.83682%0.819SS**  trans18120.2148.7-170.10000117.3
492V30.2Very low30.3Very low112 Ų112153.9 Ų153.968%0.67982%0.817SS**  trans-95.8130.4164.21800000109.1
493D28.2Very low30.1Very low137 Ų137155.7 Ų155.773%0.73382%0.817SS**  trans-104142.2167.5-176.117.7000109.6
494W29.1Very low29.9Very low235 Ų235155.1 Ų155.189%0.8981%0.814SS**  trans-118.689.3-172.7-84.397.3000111
495S27.8Very low29.8Very low93 Ų93152.6 Ų152.665%0.6581%0.809SS**  trans-127.4115.4173.254.70000113.6
496K30.5Very low29.7Very low208 Ų208151.2 Ų151.290%0.90480%0.8SS**  trans65107.9161.1-60.9176179.8174.80118.4
497L29.6Very low29.7Very low168 Ų168152.6 Ų152.688%0.8880%0.799SS**  trans-143.4100.1150.3-135.5173.1000110.3
498N31.3Very low29.6Very low173 Ų173158 Ų15893%0.92581%0.805SS**  trans-168.2147.3154.4-109.9-16.2000109.5
499G29.7Very low29.5Very low69 Ų69158.7 Ų158.771%0.71180%0.804SS**  trans-112.3161.5-158.900000117.1
500H32.3Very low29.2Very low184 Ų184161.6 Ų161.685%0.85280%0.804SS**  trans24123.3154.6-86.3-72.7000120.9
501L27.8Very low29.2Very low176 Ų176159.3 Ų159.392%0.92180%0.797SS**  -141.9170117.9-111.7160.2000110.5
502R27.4Very low29.1Very low205 Ų205158.4 Ų158.477%0.77479%0.787SS**  trans-114.2143.2-148.1173.9-170.9-172.4167.63112.1
503L27.3Very low29.1Very low157 Ų157159.7 Ų159.782%0.82279%0.79SS**  trans176.2100.6139-95.8156.5000113.9
504D28.2Very low29.1Very low123 Ų123161.4 Ų161.466%0.65879%0.793SS**  trans47.2153.5130.9-68.8-65.5000127
505I30Very low29.2Very low160 Ų160156.3 Ų156.382%0.82179%0.788SS**  trans88.977161.5-62152.7000120.2
506C26.9Very low29.2Very low97 Ų97156.9 Ų156.966%0.65579%0.792SS**  61.4126.9111.3-132.50000124.7
507R29.6Very low29.8Very low231 Ų231152.6 Ų152.687%0.87279%0.786SS**  trans66137.4148.9-74.2163.9179.4173-1.3118.1
508K28.9Very low29.7Very low210 Ų210151.6 Ų151.691%0.91379%0.786SS**  cis-129.417133.3-75.4177.2175.91720114.5
509N28.2Very low29.7Very low141 Ų141149.5 Ų149.575%0.75477%0.774SS**  trans-142.2138.4-176.6-17714.8000110.7
510K29Very low30Very low184 Ų184152.1 Ų152.180%0.878%0.779SS**  trans-167.1126.4154.9-102.7-173.1171-173.20106.7
511Q31.5Very low29.8Very low145 Ų145150 Ų15068%0.67877%0.774SS**  68.3133.456.2-76.6-176.4-29.700113.3
512N28.3Very low29.7Very low118 Ų118152.4 Ų152.463%0.63177%0.771SS**  cis-142.5164.419.9-92.1-34.9000114.3
513N29.6Very low29.6Very low139 Ų139151.1 Ų151.174%0.74377%0.771SS**  trans20.5155.3135-44.9-6.7000120.5
514E28.8Very low29.7Very low173 Ų173151 Ų15181%0.80877%0.77SS**  cis-150.9149.438.6-81.2-17211500116.8
515V30.4Very low30Very low128 Ų128151.4 Ų151.478%0.77678%0.78SS**  trans48.5126.1132.8-174.30000122.1
516S27.7Very low29.8Very low105 Ų105151.6 Ų151.673%0.73478%0.777SS**  trans-88.3168.1166.4-35.10000112.6
517P43Very low29.9Very low119 Ų119153.3 Ų153.377%0.77378%0.779SS**  -156.1154.59138.5-19000119.5
518V27.3Very low29.9Very low147 Ų147148.1 Ų148.189%0.89177%0.774SS**  trans77.8150.4143168.50000121.2
519L31.2Very low29.9Very low129 Ų129143.3 Ų143.368%0.67577%0.767SS**  trans-91.9167.3-169.5-144.479.6000112.5
520P36.9Very low29.8Very low124 Ų124143.1 Ų143.181%0.80577%0.771SS**  -146168.389.338.2-21.7000116.4
521N27.3Very low30.3Very low139 Ų139140.3 Ų140.374%0.74377%0.771SS**  trans-79.5146.8173.7-74.3-53.5000112.8
522R26.1Very low30.3Very low227 Ų227140.8 Ų140.886%0.85778%0.779SS**  169.7135.7109.7-92.6-164.8167.6-179.4-3.7114.8
523F25.2Very low30.8Very low177 Ų177141.5 Ų141.578%0.77679%0.789SS**  trans52.5137.6141.1-81.1-96.8000124
524L30.9Very low30.7Very low156 Ų156140.2 Ų140.282%0.81779%0.791SS**  trans68.9127.4159-62.7174.2000119.6
525P32.7Very low30.9Very low131 Ų131138.6 Ų138.685%0.85179%0.793SS**  trans-114.4158.9138.837.2-29.7000111.6
526E27.3Very low30.8Very low164 Ų164139.4 Ų139.477%0.76680%0.799SS**  trans-124.8141.4-177.3-143.1-164.913100110.6
527N28.2Very low31Very low132 Ų132143.9 Ų143.971%0.70680%0.8SS**  trans65.3158.2164.1-51.6-43000116.9
528T28.7Very low30.6Very low122 Ų122144 Ų14475%0.74880%0.8SS**  cis-135.2138.47.247.70000114.2
529S29.2Very low30.8Very low110 Ų110145 Ų14577%0.76979%0.793SS**  trans57.2114.5137.968.60000123.5
530T27.3Very low31.5Very low136 Ų136144 Ų14483%0.83479%0.794SS**  trans-127.7142.3141.234.60000109.7
531P38.3Very low31Very low126 Ų126144.8 Ų144.882%0.81880%0.796SS**  trans-91.4126.5-177.933.4-32.3000113.4
532N31.8Very low31.1Very low155 Ų155144.5 Ų144.583%0.82980%0.8SS**  trans-102.7161.4157.7-77-43.9000109.4
533P39.2Very low31.2Very low132 Ų132137.7 Ų137.786%0.85779%0.793SS**  trans-121.4129.7142.934.1-25.5000111.6
534S28.3Very low31.5Very low112 Ų112139.4 Ų139.478%0.78380%0.8SS**  trans-101.1163.1176.956.60000112.6
535T32.9Very low31.5Very low139 Ų139140.5 Ų140.585%0.85380%0.8SS**  trans-76.9155.4-179.146.90000114.2
536T28.4Very low31.4Very low145 Ų145146.2 Ų146.289%0.8981%0.805SS**  trans-148.5164162-5.40000111
537R31.3Very low31.8Very low200 Ų200146.5 Ų146.576%0.75581%0.806SS**  trans-141.2133.1-163.6176.6-153.3-174.9-17313.4112.4
538P34.4Very low32Very low121 Ų121146.1 Ų146.179%0.78681%0.811SS**  trans-98.5163.7166.134.9-29.1000114
539K30.6Very low31.9Very low169 Ų169148.5 Ų148.574%0.73582%0.818SS**  trans-155171.2173.4-128.8-157.7171.7-166.90108.6
540P47.3Very low31.9Very low106 Ų106152.5 Ų152.569%0.68882%0.822SS**  -129160.3-104.240.7-25.6000116.2
541T24.9Very low32Very low141 Ų141152 Ų15287%0.86582%0.824SS**  trans-146.7160.6161.5-16.90000112.8
542T30.1Very low31.5Very low133 Ų133151 Ų15182%0.81682%0.82SS**  trans-65.4165.3-174.354.10000113.8
543A28.6Very low31.3Very low85 Ų85153.9 Ų153.970%0.70283%0.825SS**  cis-165.217628.900000115.4
544K31.2Very low30.8Very low213 Ų213153.4 Ų153.493%0.92682%0.82SS**  trans85.7142161.9-65.1-174.1177.3179.70120
545H31.8Very low30.8Very low179 Ų179154 Ų15483%0.82982%0.819SS**  trans-88.5156.5-174.1-106-125.8000113.6
546R30.5Very low30.3Very low250 Ų250157.9 Ų157.994%0.94382%0.819SS**  trans-150.2149141.7-113.2178.8-179.9-176.4-0.9110.6
547E34.2Very low30.3Very low170 Ų170156.9 Ų156.979%0.79481%0.813SS**PPolyproline II helixtrans-94.4159-175.2-67.2-169.5137.300112.8
548P32.1Very low30.1Very low124 Ų124154.7 Ų154.781%0.80582%0.816SS**PPolyproline II helixtrans-73130.1173.330.2-34.5000111.8
549L27Very low30.3Very low173 Ų173153.6 Ų153.691%0.90681%0.809SS**PPolyproline II helixtrans-78.5137.2176.6-173.563.2000111.1
550K29.3Very low30.1Very low193 Ų193155 Ų15584%0.83982%0.816SS**PPolyproline II helixtrans-87.1138.3174.2-57.5166.7-173.8168.80109.6
551S30.3Very low29.2Very low126 Ų126155.8 Ų155.888%0.88182%0.818SS**PPolyproline II helixtrans-92.9146.5156.953.80000109.8
552S28.1Very low29.8Very low104 Ų104154.9 Ų154.973%0.72782%0.815SS**  trans-119.8143.3-173.5520000111.3
553F26.4Very low29.7Very low217 Ų217156.7 Ų156.795%0.95281%0.814SS**  trans-132147.7157.9-124.8-93.2000109.8
554T30.1Very low30.2Very low121 Ų121158.9 Ų158.974%0.74282%0.821SS**  trans-107.1136.4-158.9-53.20000111.9
555V27.3Very low30Very low125 Ų125153.8 Ų153.876%0.75881%0.812SS**  trans-89.8133.9169.4176.80000109.2
556Y22.8Very low29.9Very low220 Ų220151.5 Ų151.586%0.86381%0.811SS**  trans-76.9130.4173.7-108-96.9000111.4
557T29Very low29.7Very low125 Ų125144.9 Ų144.977%0.76780%0.803SS**  trans-146121.5163.754.30000110
558D26.6Very low29.4Very low153 Ų153140.6 Ų140.682%0.81881%0.805SS**  trans-86.4169.1175.3-117.7-4.5000111.6
559P37.7Very low29.2Very low98 Ų98139.9 Ų139.964%0.63680%0.802SS**  trans-133.2-172.6-13235.5-13.3000115.9
560K27.3Very low29.2Very low200 Ų200139.5 Ų139.587%0.8780%0.8SS**  trans85.3120.7165.6-59.3176.8179.5173.60117.8
561T28.8Very low29.3Very low122 Ų122138.9 Ų138.975%0.74880%0.8SS**  trans-80.3168.2156.255.40000110
562P36.4Very low30.3Very low122 Ų122138.1 Ų138.179%0.79279%0.792SS**  -142.1170.888.336.5-20.4000115.2
563H28.6Very low31.4Very low171 Ų171138 Ų13879%0.79279%0.788SS**  trans-78.4167.1167.7-58.9-88.1000111.2
564P39.6Very low31.7Very low130 Ų130138.9 Ų138.984%0.84479%0.786SS**  -141.1-172.590.338.8-23.9000114.7
565S27.1Very low31.9Very low106 Ų106137.9 Ų137.974%0.74178%0.784SS**  trans-101.2179.7-17556.70000114.1
566T27.9Very low32.3Very low132 Ų132139 Ų13981%0.8178%0.784SS**  144.4169.5129.5-53.70000112.2
567S28Very low32.7Very low110 Ų110135.5 Ų135.577%0.76978%0.779SS**  trans-113154.2-153.854.60000116.8
568G26.6Very low32.7Very low81 Ų81134.2 Ų134.284%0.83578%0.775SS**  trans88.6167.5161.600000115.3
569S28Very low33Very low108 Ų108131.4 Ų131.476%0.75577%0.768SS**  cis-169.1165.3-21-166.60000108.6
570L28.4Very low32.5Very low165 Ų165134.4 Ų134.486%0.86478%0.778SS**  trans75.6165.2168.5-52.5-179.4000119.2
571H30.4Very low32.6Very low181 Ų181129.4 Ų129.484%0.83877%0.768SS**  trans-120.5-173.2-158-84.3-63.7000110.6
572P52.1Low32.7Very low110 Ų110128.7 Ų128.771%0.71476%0.763SS**  cis-131.7-139.4-41.838.1-17.3000108.5
573P51.5Low32.4Very low100 Ų100129.5 Ų129.565%0.64976%0.761SS**  cis-134-176.3-21.140.7-22.9000116.3
574R32.7Very low32.6Very low237 Ų237128.3 Ų128.389%0.89476%0.759SS**  trans77.9137.1164.5-65.4175.6-179.3175.60115.9
575S34Very low32.2Very low100 Ų100129.4 Ų129.470%0.69976%0.757SS**  cis-156.41411.147.30000115.1
576I35Very low32.2Very low147 Ų147129.2 Ų129.275%0.75476%0.756SS**  trans74.1107.6149.5-63.5163.2000118.7
577L31.5Very low32.2Very low147 Ų147128.4 Ų128.477%0.7776%0.756SS**  trans37.8124.4134.4-51.4174.1000118.9
578S29.3Very low32.2Very low98 Ų98128.9 Ų128.969%0.68576%0.758SS**  cis66.6142.939.5103.70000113.4
579S31.7Very low32.4Very low94 Ų94132 Ų13266%0.65776%0.76SS**  cis-169.1170.73.439.60000111.6
580L28.4Very low32.4Very low162 Ų162135.9 Ų135.985%0.84876%0.763SS**  trans20.1150133-58169.9000120.1
581S28.6Very low32.9Very low95 Ų95139.5 Ų139.566%0.66477%0.765SS**  cis180-163-7.4-176.90000109
582T31.5Very low32.9Very low107 Ų107139.3 Ų139.366%0.65677%0.769SS**  trans75.5108.7153.456.10000122.3
583N30.7Very low32.1Very low138 Ų138140 Ų14074%0.73878%0.777SS**  73.1128.6113.8-66.3-13.8000124.9
584I32.3Very low30.9Very low146 Ų146139.2 Ų139.275%0.74979%0.787SS**  98.5122.9125-78.4171.5000121.7
585L30.3Very low30.9Very low153 Ų153132.4 Ų132.480%0.80178%0.781SS**  trans55.7121.2151.8-99.366.9000124.8
586S26.9Very low30.8Very low103 Ų103135.3 Ų135.372%0.7279%0.788SS**  96.8150.2114.4-155.80000122.2
587S28.7Very low30.6Very low115 Ų115134 Ų13480%0.80479%0.787SS**  trans88.9158.115780.70000119.4
588C28.1Very low30.8Very low120 Ų120131.7 Ų131.781%0.81179%0.789SS**  trans-96.1163-165.4-56.40000112.8
589V30.4Very low31.2Very low145 Ų145137.2 Ų137.288%0.87980%0.801SS**  -170.3174.7120.1140.70000110.5
590K29Very low31.5Very low191 Ų191135.6 Ų135.683%0.8380%0.799SS**  trans-89.5149-162.2-59161.3-176.61690113.4
591R37.4Very low32.6Very low240 Ų240132.6 Ų132.691%0.90679%0.791SS**  trans15.5125.3151.6-56.8180-174.2178.62.4118.7
592L30.1Very low33.8Very low177 Ų177137.8 Ų137.893%0.92780%0.802SS**  -150.1166.2120.1-139.172.3000110.9
593S36.3Very low35.7Very low126 Ų126134.6 Ų134.688%0.88178%0.783SS**  trans-99.5130.9-175.7-59.20000111.8
594G26.9Very low38.1Very low82 Ų82133 Ų13385%0.84578%0.777SS**  trans-158.3146.9171.200000109.1
595A32.5Very low40.8Very low94 Ų94127.7 Ų127.778%0.77775%0.754SS**  trans-118.7165.9-163.200000114.6
596L32Very low43.6Very low162 Ų162121.7 Ų121.785%0.84872%0.724SS**  trans77.7142.7176.6-47.2-179.9000114.2
597T30.3Very low46.7Very low120 Ų120121.6 Ų121.674%0.73672%0.715SS**  cis-141.9133.2-3.9-31.10000112.4
598A34.7Very low49.5Very low98 Ų98116.4 Ų116.481%0.8168%0.678SS**  trans-150.2125.915400000108.7G600A598-G600 VanDerWaalsContact C-N 3.29Å; A598-G600 PolarHBondContact O-N 3.47Å
599K38.5Very low52Low213 Ų213115 Ų11593%0.92668%0.676SS**  trans-82.165.6-172.3-73.9-173.8178.3177.10112.9
600G38.3Very low54.6Low60 Ų60110.7 Ų110.762%0.61965%0.651SS**  trans-70.8135.7157.700000110.3A598 K602A598-G600 VanDerWaalsContact C-N 3.29Å; A598-G600 PolarHBondContact O-N 3.47Å; G600-K602 PolarHBondContact O-N 2.97Å; G600-K602 VanDerWaalsContact O-N 3.13Å
601S50.8Low57.3Low99 Ų99104 Ų10469%0.69264%0.637SS**  trans-63.6111.9175.142.70000110.1V603S601-V603 VanDerWaalsContact C-N 3.34Å; S601-V603 PolarHBondContact O-N 3.06Å
602K54.6Low59.6Low205 Ų20597.7 Ų97.789%0.89161%0.613SS**  trans-7286.9-179.5-72.1-175.6178.8177.70110.4G600 T604G600-K602 PolarHBondContact O-N 2.97Å; G600-K602 VanDerWaalsContact O-N 3.13Å; K602-T604 PolarHBondContact O-N 2.87Å
603V70.9Confident62.6Low40 Ų4096.4 Ų96.424%0.24260%0.596CS.*  trans-63.1103.2172.5-179.40000109.1S601 S605 Y631 L654 M655S601-V603 VanDerWaalsContact C-N 3.34Å; S601-V603 PolarHBondContact O-N 3.06Å; V603-S605 PolarHBondContact O-N 3.21Å; V603-Y631 PolarHBondContact O-OH 2.81Å; V603-L654 HydrophobicContact CG1-CB 4.43Å; V603-M655 HydrophobicContact CG2-CE 3.79Å; V603-M655 HydrophobicContact CG2-CG 4.31Å
604T82Confident65.3Low103 Ų10390.6 Ų90.663%0.63256%0.555SS**PPolyproline II helixtrans-55.9121.9174.7-67.50000109.9K602K602-T604 PolarHBondContact O-N 2.87Å
605S87.3Confident68.4Low36 Ų3694.6 Ų94.625%0.25255%0.545SS..PPolyproline II helixtrans-53.5128.7179.6-60.40000111.6V603 R613 A614 Y631V603-S605 PolarHBondContact O-N 3.21Å; S605-R613 PolarHBondContact O-NH1 3.33Å; S605-A614 VanDerWaalsContact CB-O 3.23Å; S605-A614 WeakPolarHBondContact CB-O 3.38Å; S605-A614 PolarHBondContact OG-O 3.1Å; S605-Y631 WeakPolarHBondContact OG-CE1 3.45Å
606P90.4Very high71.2Confident27 Ų2795.6 Ų95.618%0.17553%0.528CS..PPolyproline II helixtrans-64.4159.9178.129.6-36.9000110.9A614 Y631 F647 L654P606-A614 HydrophobicContact CG-CB 4.19Å; P606-A614 WeakPolarHBondContact O-CB 3.49Å; P606-A614 PolarHBondContact O-N 3.42Å; P606-Y631 HydrophobicContact CG-CD1 4.42Å; P606-Y631 HydrophobicContact CG-CG 4.29Å; P606-F647 HydrophobicContact CB-CZ 4.14Å; P606-F647 HydrophobicContact CG-CE1 4.06Å; P606-F647 HydrophobicContact CG-CZ 3.87Å; P606-L654 HydrophobicContact CB-CD2 4.26Å; P606-L654 HydrophobicContact CG-CD1 3.95Å; P606-L654 HydrophobicContact CG-CD2 4.18Å
607L90.6Very high74.1Confident100 Ų10091.9 Ų91.952%0.52451%0.507SS..BIsolated β-bridgetrans-79.8140.3169.9-54.9-177000109.6R613L607-R613 HydrophobicContact CD2-CG 3.66Å
608C88.9Confident77Confident6 Ų689.3 Ų89.34%0.04149%0.491CS..PPolyproline II helixtrans-84.8170.2166.271.10000110.6C610 G611 R612 C633 F647C608-C610 PolarHBondContact O-N 3.16Å; C608-G611 WeakPolarHBondContact O-CA 3.26Å; C608-G611 PolarHBondContact O-N 2.92Å; C608-R612 PolarHBondContact N-O 3.16Å; C608-R612 PolarHBondContact SG-O 3.11Å; C608-C633 HydrophobicContact CB-CB 4.32Å; C608-C633 VanDerWaalsContact SG-SG 3.61Å; C608-F647 HydrophobicContact CB-CB 3.5Å; C608-F647 HydrophobicContact CB-CD1 3.88Å; C608-F647 HydrophobicContact CB-CD2 4.13Å; C608-F647 HydrophobicContact CB-CG 3.57Å
609A81.1Confident79.6Confident92 Ų9286.1 Ų86.176%0.7646%0.461SS*.THydrogen-bonded Turntrans-63.4-13.3179.400000114.4G611 C645A609-G611 PolarHBondContact O-N 3.27Å; A609-C645 HydrophobicContact CB-CB 3.98Å; A609-C645 PolarHBondContact N-SG 2.98Å
610C84.5Confident81.8Confident53 Ų5380.5 Ų80.536%0.35845%0.449SS..THydrogen-bonded Turntrans-81.18.8167.3-57.80000113.7C608 R612 C645C608-C610 PolarHBondContact O-N 3.16Å; C610-R612 HydrophobicContact CB-CG 4.47Å; C610-R612 PolarHBondContact O-N 3.21Å; C610-C645 WeakPolarHBondContact SG-CB 3.23Å; C610-C645 PolarHBondContact SG-SG 3.37Å
611G84.4Confident83.7Confident52 Ų5283.4 Ų83.454%0.53645%0.45SS..SBendtrans70.9-12.8-173.900000115.6C608 A609C608-G611 WeakPolarHBondContact O-CA 3.26Å; C608-G611 PolarHBondContact O-N 2.92Å; A609-G611 PolarHBondContact O-N 3.27Å
612R87Confident84.8Confident107 Ų10782.3 Ų82.340%0.40446%0.455SS..SBendtrans-77.4146-179.7-56.4179.5-168.3163.211.1110.7C608 C610 A614 P634 V635 E642C608-R612 PolarHBondContact N-O 3.16Å; C608-R612 PolarHBondContact SG-O 3.11Å; C610-R612 HydrophobicContact CB-CG 4.47Å; C610-R612 PolarHBondContact O-N 3.21Å; R612-A614 PolarHBondContact O-N 3.13Å; R612-P634 HydrophobicContact CB-CG 4.21Å; R612-V635 VanDerWaalsContact NH1-CG2 3.27Å; R612-E642 IonicContact CZ-OE1 2.68Å; R612-E642 IonicContact CZ-OE2 3.75Å; R612-E642 VanDerWaalsContact CZ-OE2 3.31Å; R612-E642 IonicContact NH1-OE1 3.13Å; R612-E642 IonicContact NH1-OE2 3.89Å; R612-E642 PolarHBondContact NH1-OE2 3.49Å; R612-E642 VanDerWaalsContact NH2-CD 3.29Å; R612-E642 IonicContact NH2-OE1 3.31Å; R612-E642 PolarHBondContact NH2-OE1 3.11Å; R612-E642 IonicContact NH2-OE2 2.74Å; R612-E642 PolarHBondContact NH2-OE2 2.82Å
613R92.9Very high86Confident150 Ų15074.8 Ų74.857%0.56644%0.435SS*.BIsolated β-bridgetrans-63.9134.5174.2-75.1-171.6-173.9-71.3-0.1111S605 L607 P634S605-R613 PolarHBondContact O-NH1 3.33Å; L607-R613 HydrophobicContact CD2-CG 3.66Å; R613-P634 WeakPolarHBondContact O-CD 3.33Å; R613-P634 WeakPolarHBondContact O-CG 3.32Å
614A92.1Very high86.2Confident3 Ų379 Ų793%0.02546%0.464CS..PPolyproline II helixtrans-70.1142.2177.600000111.7S605 P606 R612 Y631 C632 F647S605-A614 VanDerWaalsContact CB-O 3.23Å; S605-A614 WeakPolarHBondContact CB-O 3.38Å; S605-A614 PolarHBondContact OG-O 3.1Å; P606-A614 HydrophobicContact CG-CB 4.19Å; P606-A614 WeakPolarHBondContact O-CB 3.49Å; P606-A614 PolarHBondContact O-N 3.42Å; R612-A614 PolarHBondContact O-N 3.13Å; A614-Y631 HydrophobicContact CB-CD1 4.38Å; A614-C632 CarbonylContact C-O 3.52Å; A614-C632 WeakPolarHBondContact CA-O 3.46Å; A614-C632 WeakPolarHBondContact CB-O 3.23Å; A614-F647 HydrophobicContact CB-CD1 3.91Å; A614-F647 HydrophobicContact CB-CE1 3.6Å
615R92Very high86.1Confident167 Ų16777.9 Ų77.963%0.6345%0.454SS*.EExtended strand (participates in β ladder)trans-88.7126177.4-177.7173.61801661.1109.7Y631 C632 P634R615-Y631 WeakPolarHBondContact O-CA 3.42Å; R615-C632 PolarHBondContact N-O 2.78Å; R615-C632 PolarHBondContact O-N 2.92Å; R615-P634 HydrophobicContact CB-CB 4.41Å
616R92.7Very high86.2Confident114 Ų11481.6 Ų81.643%0.4347%0.467SS..EExtended strand (participates in β ladder)trans-69.2135.6169.7-169.8-178.1179.6-82.6-2.5110V618 F630 Y631 E651R616-V618 VanDerWaalsContact NH1-CG2 3.32Å; R616-F630 CarbonylContact C-O 3.56Å; R616-F630 WeakPolarHBondContact CA-O 3.46Å; R616-Y631 HydrophobicContact CB-CD1 4.03Å; R616-Y631 HydrophobicContact CB-CE1 3.87Å; R616-Y631 HydrophobicContact CG-CE1 4.38Å; R616-E651 IonicContact CZ-OE1 3.57Å; R616-E651 IonicContact CZ-OE2 3.59Å; R616-E651 VanDerWaalsContact CZ-OE2 3.31Å; R616-E651 VanDerWaalsContact NE-CD 3.27Å; R616-E651 IonicContact NE-OE1 3.44Å; R616-E651 PolarHBondContact NE-OE1 3.44Å; R616-E651 IonicContact NE-OE2 2.74Å; R616-E651 PolarHBondContact NE-OE2 2.96Å; R616-E651 VanDerWaalsContact NE-OE2 3.13Å; R616-E651 IonicContact NH2-OE1 2.71Å; R616-E651 IonicContact NH2-OE2 3.6Å; R616-E651 PolarHBondContact NH2-OE2 3.43Å
617Q91.6Very high86Confident85 Ų8582.5 Ų82.540%0.39748%0.481SS..EExtended strand (participates in β ladder)trans-134.2169.9171.6-64.3-164.565.400109.1G629 F630 C632Q617-G629 WeakPolarHBondContact O-CA 3.31Å; Q617-F630 HydrophobicContact CB-CD1 4.36Å; Q617-F630 HydrophobicContact CB-CD2 4.37Å; Q617-F630 HydrophobicContact CB-CE1 3.8Å; Q617-F630 HydrophobicContact CB-CE2 3.83Å; Q617-F630 HydrophobicContact CB-CZ 3.52Å; Q617-F630 HydrophobicContact CG-CE2 4.44Å; Q617-F630 HydrophobicContact CG-CZ 4.39Å; Q617-F630 PolarHBondContact N-O 2.92Å; Q617-F630 PolarHBondContact O-N 3.26Å; Q617-C632 PolarHBondContact NE2-SG 3.04Å
618V92.3Very high85.9Confident66 Ų6681.5 Ų81.540%0.448%0.476SS..EExtended strand (participates in β ladder)trans-132.1141.5179.41780000108.4R616 S620 G627 L628R616-V618 VanDerWaalsContact NH1-CG2 3.32Å; V618-S620 PolarHBondContact O-N 2.99Å; V618-S620 VanDerWaalsContact O-N 3.16Å; V618-G627 WeakPolarHBondContact CG1-O 3.18Å; V618-L628 WeakPolarHBondContact CA-O 3.35Å
619V89.3Confident86Confident30 Ų3081.6 Ų81.618%0.18248%0.477CS..  trans-71.8106.8177.5-178.90000110.2N621 N625 G627 L628 F630 W650V619-N621 HydrophobicContact CG1-CB 4.39Å; V619-N625 VanDerWaalsContact CB-O 3.27Å; V619-N625 WeakPolarHBondContact CB-O 3.38Å; V619-N625 HydrophobicContact CG2-CB 4.45Å; V619-G627 PolarHBondContact O-N 2.95Å; V619-L628 PolarHBondContact N-O 2.7Å; V619-F630 HydrophobicContact CG2-CD1 4.07Å; V619-F630 HydrophobicContact CG2-CE1 4.05Å; V619-W650 HydrophobicContact CG2-CH2 3.78Å; V619-W650 HydrophobicContact CG2-CZ3 3.82Å
620S84.7Confident86.6Confident95 Ų9578.7 Ų78.766%0.66445%0.448SS*.  trans-81.6-18.9174.753.90000113.9V618 H626V618-S620 PolarHBondContact O-N 2.99Å; V618-S620 VanDerWaalsContact O-N 3.16Å; S620-H626 PolarHBondContact O-CE1 3.03Å; S620-H626 PolarHBondContact O-ND1 3.45Å
621N78.2Confident87.1Confident121 Ų12176.4 Ų76.465%0.64743%0.432SS*.SBendtrans-74.5144.4-177.7-64.64.7000110.3V619 H626V619-N621 HydrophobicContact CG1-CB 4.39Å; N621-H626 WeakPolarHBondContact O-CB 3.27Å; N621-H626 PolarHBondContact O-ND1 2.94Å
622G72.9Confident87.4Confident77 Ų7775 Ų7579%0.79441%0.413SS*.SBendtrans-71.4138.2176.700000111.9
623G79.7Confident87.6Confident47 Ų4770.6 Ų70.649%0.48540%0.399SS..SBendtrans148.7-178.5-178.300000111.7N625 H626G623-N625 PolarHBondContact O-N 3.27Å; G623-H626 VanDerWaalsContact O-CB 3.26Å; G623-H626 WeakPolarHBondContact O-CB 3.41Å; G623-H626 PolarHBondContact O-N 2.76Å
624P76.6Confident87.2Confident129 Ų12966.1 Ų66.184%0.83839%0.389SS*.THydrogen-bonded Turntrans-58.7-24.2-174.1-27.435.9000115.4
625N79.3Confident86.7Confident79 Ų7967.4 Ų67.442%0.42240%0.396SS..THydrogen-bonded Turntrans-95.56.3178.9-64.3-43.7000113.7V619 G623 G627 L628 W650V619-N625 VanDerWaalsContact CB-O 3.27Å; V619-N625 WeakPolarHBondContact CB-O 3.38Å; V619-N625 HydrophobicContact CG2-CB 4.45Å; G623-N625 PolarHBondContact O-N 3.27Å; N625-G627 PolarHBondContact O-N 2.82Å; N625-L628 HydrophobicContact CB-CD1 4.1Å; N625-L628 VanDerWaalsContact O-CB 3.31Å; N625-L628 WeakPolarHBondContact O-CB 3.39Å; N625-L628 WeakPolarHBondContact O-CG 3.21Å; N625-L628 PolarHBondContact O-N 2.99Å; N625-L628 VanDerWaalsContact O-N 3.1Å; N625-W650 HydrophobicContact CB-CH2 4.09Å
626H88.2Confident85.3Confident114 Ų11468.8 Ų68.853%0.52840%0.402SS..THydrogen-bonded Turntrans-57.7134.6-178-173.776.4000111.6S620 N621 G623 L628S620-H626 PolarHBondContact O-CE1 3.03Å; S620-H626 PolarHBondContact O-ND1 3.45Å; N621-H626 WeakPolarHBondContact O-CB 3.27Å; N621-H626 PolarHBondContact O-ND1 2.94Å; G623-H626 VanDerWaalsContact O-CB 3.26Å; G623-H626 WeakPolarHBondContact O-CB 3.41Å; G623-H626 PolarHBondContact O-N 2.76Å; H626-L628 PolarHBondContact O-N 3.42Å
627G86.1Confident83.5Confident46 Ų4674.6 Ų74.647%0.47442%0.424SS..THydrogen-bonded Turntrans76.3-7.1-17700000115.5V618 V619 N625V618-G627 WeakPolarHBondContact CG1-O 3.18Å; V619-G627 PolarHBondContact O-N 2.95Å; N625-G627 PolarHBondContact O-N 2.82Å
628L89.3Confident81.3Confident79 Ų7974.5 Ų74.541%0.41443%0.433SS..  trans-73.8139.7177.3-60.8-173.5000112.3V618 V619 N625 H626 W650V618-L628 WeakPolarHBondContact CA-O 3.35Å; V619-L628 PolarHBondContact N-O 2.7Å; N625-L628 HydrophobicContact CB-CD1 4.1Å; N625-L628 VanDerWaalsContact O-CB 3.31Å; N625-L628 WeakPolarHBondContact O-CB 3.39Å; N625-L628 WeakPolarHBondContact O-CG 3.21Å; N625-L628 PolarHBondContact O-N 2.99Å; N625-L628 VanDerWaalsContact O-N 3.1Å; H626-L628 PolarHBondContact O-N 3.42Å; L628-W650 HydrophobicContact CB-CE3 4.31Å; L628-W650 HydrophobicContact CB-CZ3 3.92Å
629G91.8Very high79.1Confident7 Ų776.1 Ų76.17%0.07246%0.463CS..EExtended strand (participates in β ladder)trans-86.3138.6177.900000113.5Q617 E651Q617-G629 WeakPolarHBondContact O-CA 3.31Å; G629-E651 VanDerWaalsContact O-CB 3.23Å; G629-E651 WeakPolarHBondContact O-CB 3.42Å; G629-E651 PolarHBondContact O-N 2.74Å
630F93.3Very high77.3Confident31 Ų3177.3 Ų77.314%0.13648%0.481CS..EExtended strand (participates in β ladder)trans-138.8158.417267.9-87.3000111.3R616 Q617 V619 C632 F648 W650R616-F630 CarbonylContact C-O 3.56Å; R616-F630 WeakPolarHBondContact CA-O 3.46Å; Q617-F630 HydrophobicContact CB-CD1 4.36Å; Q617-F630 HydrophobicContact CB-CD2 4.37Å; Q617-F630 HydrophobicContact CB-CE1 3.8Å; Q617-F630 HydrophobicContact CB-CE2 3.83Å; Q617-F630 HydrophobicContact CB-CZ 3.52Å; Q617-F630 HydrophobicContact CG-CE2 4.44Å; Q617-F630 HydrophobicContact CG-CZ 4.39Å; Q617-F630 PolarHBondContact N-O 2.92Å; Q617-F630 PolarHBondContact O-N 3.26Å; V619-F630 HydrophobicContact CG2-CD1 4.07Å; V619-F630 HydrophobicContact CG2-CE1 4.05Å; F630-C632 HydrophobicContact CD2-CB 4.42Å; F630-C632 HydrophobicContact CE2-CB 4.28Å; F630-F648 HydrophobicContact CB-CE2 3.86Å; F630-F648 HydrophobicContact CB-CZ 4.02Å; F630-F648 HydrophobicContact CD1-CE2 4.44Å; F630-F648 AromaticContact CD2-CD2 3.71Å; F630-F648 HydrophobicContact CD2-CD2 3.71Å; F630-F648 AromaticContact CD2-CE2 3.33Å; F630-F648 HydrophobicContact CD2-CE2 3.33Å; F630-F648 HydrophobicContact CD2-CZ 4.31Å; F630-F648 HydrophobicContact CE2-CD2 4.21Å; F630-F648 AromaticContact CE2-CE2 3.9Å; F630-F648 HydrophobicContact CE2-CE2 3.9Å; F630-F648 HydrophobicContact CG-CD2 4.41Å; F630-F648 AromaticContact CG-CE2 3.64Å; F630-F648 HydrophobicContact CG-CE2 3.64Å; F630-F648 HydrophobicContact CG-CZ 4.21Å; F630-W650 HydrophobicContact CB-CD2 4.36Å; F630-W650 HydrophobicContact CB-CE3 3.75Å; F630-W650 HydrophobicContact CB-CZ3 4.03Å; F630-W650 HydrophobicContact CD1-CZ3 4.17Å
631Y93.7Very high75.8Confident6 Ų682.9 Ų82.92%0.02449%0.493CS..EExtended strand (participates in β ladder)trans-110.4135.7174.5-67.3-97.8000109.6V603 S605 P606 A614 R615 R616 F648 K649 E651 L654V603-Y631 PolarHBondContact O-OH 2.81Å; S605-Y631 WeakPolarHBondContact OG-CE1 3.45Å; P606-Y631 HydrophobicContact CG-CD1 4.42Å; P606-Y631 HydrophobicContact CG-CG 4.29Å; A614-Y631 HydrophobicContact CB-CD1 4.38Å; R615-Y631 WeakPolarHBondContact O-CA 3.42Å; R616-Y631 HydrophobicContact CB-CD1 4.03Å; R616-Y631 HydrophobicContact CB-CE1 3.87Å; R616-Y631 HydrophobicContact CG-CE1 4.38Å; Y631-F648 CarbonylContact O-C 3.51Å; Y631-F648 WeakPolarHBondContact O-CA 3.48Å; Y631-K649 PolarHBondContact N-O 3.48Å; Y631-K649 PolarHBondContact O-N 3.03Å; Y631-E651 HydrophobicContact CD2-CB 4.49Å; Y631-E651 HydrophobicContact CE2-CB 4.04Å; Y631-E651 HydrophobicContact CE2-CG 4.08Å; Y631-L654 HydrophobicContact CD2-CD1 3.32Å; Y631-L654 HydrophobicContact CE2-CD1 3.43Å; Y631-L654 VanDerWaalsContact CE2-CD1 3.43Å; Y631-L654 HydrophobicContact CG-CD1 4.13Å
632C91.3Very high74.8Confident22 Ų2282.6 Ų82.615%0.14949%0.488CS..EExtended strand (participates in β ladder)trans-130.8165.2173.376.60000112.8A614 R615 Q617 F630 F647A614-C632 CarbonylContact C-O 3.52Å; A614-C632 WeakPolarHBondContact CA-O 3.46Å; A614-C632 WeakPolarHBondContact CB-O 3.23Å; R615-C632 PolarHBondContact N-O 2.78Å; R615-C632 PolarHBondContact O-N 2.92Å; Q617-C632 PolarHBondContact NE2-SG 3.04Å; F630-C632 HydrophobicContact CD2-CB 4.42Å; F630-C632 HydrophobicContact CE2-CB 4.28Å; C632-F647 CarbonylContact C-O 3.55Å; C632-F647 WeakPolarHBondContact CA-O 2.98Å
633C91Very high74.2Confident14 Ų1489.7 Ų89.710%0.09549%0.491CS..  trans-54.5133.8167.6-168.70000110.3C608 V635 F647C608-C633 HydrophobicContact CB-CB 4.32Å; C608-C633 VanDerWaalsContact SG-SG 3.61Å; C633-V635 VanDerWaalsContact C-N 3.26Å; C633-V635 PolarHBondContact O-N 2.68Å; C633-F647 HydrophobicContact CB-CB 4.29Å; C633-F647 PolarHBondContact N-O 3.42Å
634P85.1Confident73.8Confident57 Ų5788 Ų8837%0.3747%0.473SS..SBendtrans-73.8-17.8177.930.6-36.5000113.1R612 R613 R615 R636R612-P634 HydrophobicContact CB-CG 4.21Å; R613-P634 WeakPolarHBondContact O-CD 3.33Å; R613-P634 WeakPolarHBondContact O-CG 3.32Å; R615-P634 HydrophobicContact CB-CB 4.41Å; P634-R636 PolarHBondContact O-N 3.13Å
635V81.6Confident74.1Confident29 Ų2984.2 Ų84.218%0.17645%0.449CS..  trans-76107.5178.7-173.70000108.9R612 C633 E642R612-V635 VanDerWaalsContact NH1-CG2 3.27Å; C633-V635 VanDerWaalsContact C-N 3.26Å; C633-V635 PolarHBondContact O-N 2.68Å; V635-E642 HydrophobicContact CG1-CB 4.31Å
636R62.8Low74.2Confident197 Ų19783.4 Ų83.474%0.74346%0.46SS*.  trans-72153175-74.1-177.4165.1-179.2-5.8110.8P634 S638P634-R636 PolarHBondContact O-N 3.13Å; R636-S638 WeakPolarHBondContact CB-OG 3.37Å; R636-S638 PolarHBondContact O-N 2.74Å
637R55.3Low74.3Confident235 Ų23580.4 Ų80.489%0.88745%0.445SS*.  trans-71.279.5162.3-69-177.4178.4-179.4-0.8108.9
638S44.2Very low74.5Confident84 Ų8483.1 Ų83.159%0.58744%0.444SS*.  trans-133.191.7-175.9-64.80000111.2R636 G640R636-S638 WeakPolarHBondContact CB-OG 3.37Å; R636-S638 PolarHBondContact O-N 2.74Å; S638-G640 PolarHBondContact O-N 3.5Å
639G47.5Very low74.6Confident100 Ų10082.6 Ų82.6100%1.03144%0.439SS*.SBendtrans64.7-5.9156.900000119.8
640G50.4Low74.6Confident55 Ų5585.9 Ų85.957%0.56745%0.449SS*.SBendtrans-129.4165.5-175.400000114.1S638 E642S638-G640 PolarHBondContact O-N 3.5Å; G640-E642 PolarHBondContact O-N 3.44Å; G640-E642 VanDerWaalsContact O-N 3.08Å
641K53.5Low74.5Confident212 Ų21286 Ų8692%0.92245%0.45SS*.SBendtrans-62.5-15.8-169.8-77.5-174.6173.3179.60115.7R643K641-R643 PolarHBondContact O-N 2.92Å
642E56.4Low74.1Confident115 Ų11589.1 Ų89.154%0.53747%0.473SS..  trans-81.590.8171.3-70-160.2150.300112.5R612 V635 G640 G644R612-E642 IonicContact CZ-OE1 2.68Å; R612-E642 IonicContact CZ-OE2 3.75Å; R612-E642 VanDerWaalsContact CZ-OE2 3.31Å; R612-E642 IonicContact NH1-OE1 3.13Å; R612-E642 IonicContact NH1-OE2 3.89Å; R612-E642 PolarHBondContact NH1-OE2 3.49Å; R612-E642 VanDerWaalsContact NH2-CD 3.29Å; R612-E642 IonicContact NH2-OE1 3.31Å; R612-E642 PolarHBondContact NH2-OE1 3.11Å; R612-E642 IonicContact NH2-OE2 2.74Å; R612-E642 PolarHBondContact NH2-OE2 2.82Å; V635-E642 HydrophobicContact CG1-CB 4.31Å; G640-E642 PolarHBondContact O-N 3.44Å; G640-E642 VanDerWaalsContact O-N 3.08Å; E642-G644 PolarHBondContact O-N 3.28Å; E642-G644 VanDerWaalsContact O-N 3.16Å
643R60.9Low73.6Confident225 Ų22590.1 Ų90.185%0.84948%0.482SS*.  trans-68110.5164.1-56.2-171.4-158.7-1545.6108.9K641 C645K641-R643 PolarHBondContact O-N 2.92Å; R643-C645 PolarHBondContact O-N 3.44Å
644G70.8Confident73Confident11 Ų1190.4 Ų90.411%0.11348%0.483CS..  trans-54.9134.4174.100000112.1E642 G646E642-G644 PolarHBondContact O-N 3.28Å; E642-G644 VanDerWaalsContact O-N 3.16Å; G644-G646 PolarHBondContact O-N 2.89Å
645C84.1Confident72.4Confident50 Ų5092.1 Ų92.134%0.33849%0.487SS..  trans-63.515.8-166.361.10000117.9A609 C610 R643 F647A609-C645 HydrophobicContact CB-CB 3.98Å; A609-C645 PolarHBondContact N-SG 2.98Å; C610-C645 WeakPolarHBondContact SG-CB 3.23Å; C610-C645 PolarHBondContact SG-SG 3.37Å; R643-C645 PolarHBondContact O-N 3.44Å; C645-F647 PolarHBondContact O-N 3.31Å
646G81.2Confident71.8Confident63 Ų6398.9 Ų98.965%0.64951%0.514SS*.  trans67.6-2.1176.900000115.9G644 F648G644-G646 PolarHBondContact O-N 2.89Å; G646-F648 PolarHBondContact O-N 3.16Å
647F89.8Confident71.6Confident50 Ų5092.8 Ų92.822%0.21950%0.502CS..  trans-50.4127.4-178.1178.9-87.6000112P606 C608 A614 C632 C633 C645 K649P606-F647 HydrophobicContact CB-CZ 4.14Å; P606-F647 HydrophobicContact CG-CE1 4.06Å; P606-F647 HydrophobicContact CG-CZ 3.87Å; C608-F647 HydrophobicContact CB-CB 3.5Å; C608-F647 HydrophobicContact CB-CD1 3.88Å; C608-F647 HydrophobicContact CB-CD2 4.13Å; C608-F647 HydrophobicContact CB-CG 3.57Å; A614-F647 HydrophobicContact CB-CD1 3.91Å; A614-F647 HydrophobicContact CB-CE1 3.6Å; C632-F647 CarbonylContact C-O 3.55Å; C632-F647 WeakPolarHBondContact CA-O 2.98Å; C633-F647 HydrophobicContact CB-CB 4.29Å; C633-F647 PolarHBondContact N-O 3.42Å; C645-F647 PolarHBondContact O-N 3.31Å; F647-K649 HydrophobicContact CE1-CB 4.43Å; F647-K649 HydrophobicContact CZ-CB 4.21Å
648F91.6Very high71.7Confident104 Ų10486.3 Ų86.346%0.45649%0.492SS..EExtended strand (participates in β ladder)trans-145.5133.2178175.4-88000109F630 Y631 G646 W650F630-F648 HydrophobicContact CB-CE2 3.86Å; F630-F648 HydrophobicContact CB-CZ 4.02Å; F630-F648 HydrophobicContact CD1-CE2 4.44Å; F630-F648 AromaticContact CD2-CD2 3.71Å; F630-F648 HydrophobicContact CD2-CD2 3.71Å; F630-F648 AromaticContact CD2-CE2 3.33Å; F630-F648 HydrophobicContact CD2-CE2 3.33Å; F630-F648 HydrophobicContact CD2-CZ 4.31Å; F630-F648 HydrophobicContact CE2-CD2 4.21Å; F630-F648 AromaticContact CE2-CE2 3.9Å; F630-F648 HydrophobicContact CE2-CE2 3.9Å; F630-F648 HydrophobicContact CG-CD2 4.41Å; F630-F648 AromaticContact CG-CE2 3.64Å; F630-F648 HydrophobicContact CG-CE2 3.64Å; F630-F648 HydrophobicContact CG-CZ 4.21Å; Y631-F648 CarbonylContact O-C 3.51Å; Y631-F648 WeakPolarHBondContact O-CA 3.48Å; G646-F648 PolarHBondContact O-N 3.16Å; F648-W650 AromaticContact CE1-CD1 3.97Å; F648-W650 HydrophobicContact CE1-CD2 4.29Å; F648-W650 AromaticContact CE1-CE2 3.86Å; F648-W650 HydrophobicContact CE1-CG 4.34Å; F648-W650 HydrophobicContact CE1-CZ2 4.35Å; F648-W650 AromaticContact CE1-NE1 3.66Å; F648-W650 HydrophobicContact CZ-CD2 4.04Å; F648-W650 AromaticContact CZ-CE2 3.65Å; F648-W650 HydrophobicContact CZ-CH2 4.25Å; F648-W650 AromaticContact CZ-CZ2 3.77Å; F648-W650 HydrophobicContact CZ-CZ2 3.77Å; F648-W650 AromaticContact CZ-NE1 3.95Å
649K90.6Very high72Confident67 Ų6786.8 Ų86.829%0.29150%0.496SS..EExtended strand (participates in β ladder)trans-151.6131.8171.2-168.5172.8177.6-1700111.3Y631 F647 A653 L654Y631-K649 PolarHBondContact N-O 3.48Å; Y631-K649 PolarHBondContact O-N 3.03Å; F647-K649 HydrophobicContact CE1-CB 4.43Å; F647-K649 HydrophobicContact CZ-CB 4.21Å; K649-A653 VanDerWaalsContact CE-C 3.5Å; K649-A653 WeakPolarHBondContact CE-O 3.48Å; K649-A653 HydrophobicContact CG-CB 4.3Å; K649-A653 PolarHBondContact NZ-O 3.15Å; K649-L654 HydrophobicContact CD-CD1 4.36Å; K649-L654 HydrophobicContact CD-CD2 3.98Å; K649-L654 HydrophobicContact CD-CG 3.87Å; K649-L654 HydrophobicContact CG-CD1 4.47Å; K649-L654 HydrophobicContact CG-CG 4.34Å
650W92.6Very high72Confident76 Ų7687.7 Ų87.729%0.28848%0.481SS..EExtended strand (participates in β ladder)trans-64.2144.8172.8-67.5110.6000111.8V619 N625 L628 F630 F648 S652 A653 L654V619-W650 HydrophobicContact CG2-CH2 3.78Å; V619-W650 HydrophobicContact CG2-CZ3 3.82Å; N625-W650 HydrophobicContact CB-CH2 4.09Å; L628-W650 HydrophobicContact CB-CE3 4.31Å; L628-W650 HydrophobicContact CB-CZ3 3.92Å; F630-W650 HydrophobicContact CB-CD2 4.36Å; F630-W650 HydrophobicContact CB-CE3 3.75Å; F630-W650 HydrophobicContact CB-CZ3 4.03Å; F630-W650 HydrophobicContact CD1-CZ3 4.17Å; F648-W650 AromaticContact CE1-CD1 3.97Å; F648-W650 HydrophobicContact CE1-CD2 4.29Å; F648-W650 AromaticContact CE1-CE2 3.86Å; F648-W650 HydrophobicContact CE1-CG 4.34Å; F648-W650 HydrophobicContact CE1-CZ2 4.35Å; F648-W650 AromaticContact CE1-NE1 3.66Å; F648-W650 HydrophobicContact CZ-CD2 4.04Å; F648-W650 AromaticContact CZ-CE2 3.65Å; F648-W650 HydrophobicContact CZ-CH2 4.25Å; F648-W650 AromaticContact CZ-CZ2 3.77Å; F648-W650 HydrophobicContact CZ-CZ2 3.77Å; F648-W650 AromaticContact CZ-NE1 3.95Å; W650-S652 VanDerWaalsContact C-N 3.35Å; W650-S652 PolarHBondContact O-N 3.4Å; W650-A653 HydrophobicContact CB-CB 4.34Å; W650-A653 WeakPolarHBondContact O-CB 3.42Å; W650-A653 PolarHBondContact O-N 3.06Å; W650-A653 VanDerWaalsContact O-N 3.16Å; W650-L654 PolarHBondContact O-N 3.47Å
651E89.9Confident71.4Confident34 Ų3489 Ų8916%0.15949%0.487CS..SBendtrans-65.3-36.8179-178.7167.3-128.400112.6R616 G629 Y631 A653 L654 M655R616-E651 IonicContact CZ-OE1 3.57Å; R616-E651 IonicContact CZ-OE2 3.59Å; R616-E651 VanDerWaalsContact CZ-OE2 3.31Å; R616-E651 VanDerWaalsContact NE-CD 3.27Å; R616-E651 IonicContact NE-OE1 3.44Å; R616-E651 PolarHBondContact NE-OE1 3.44Å; R616-E651 IonicContact NE-OE2 2.74Å; R616-E651 PolarHBondContact NE-OE2 2.96Å; R616-E651 VanDerWaalsContact NE-OE2 3.13Å; R616-E651 IonicContact NH2-OE1 2.71Å; R616-E651 IonicContact NH2-OE2 3.6Å; R616-E651 PolarHBondContact NH2-OE2 3.43Å; G629-E651 VanDerWaalsContact O-CB 3.23Å; G629-E651 WeakPolarHBondContact O-CB 3.42Å; G629-E651 PolarHBondContact O-N 2.74Å; Y631-E651 HydrophobicContact CD2-CB 4.49Å; Y631-E651 HydrophobicContact CE2-CB 4.04Å; Y631-E651 HydrophobicContact CE2-CG 4.08Å; E651-A653 PolarHBondContact O-N 3.01Å; E651-L654 WeakPolarHBondContact O-CA 3.43Å; E651-L654 WeakPolarHBondContact O-CB 3.49Å; E651-L654 PolarHBondContact O-N 3.48Å; E651-M655 PolarHBondContact O-N 2.99Å
652S85.2Confident70.9Confident72 Ų7284.3 Ų84.350%0.50348%0.478SS..Hα-helixtrans-58.2-35.5172.153.50000112.8W650 L654 M655 K656W650-S652 VanDerWaalsContact C-N 3.35Å; W650-S652 PolarHBondContact O-N 3.4Å; S652-L654 VanDerWaalsContact C-N 3.26Å; S652-L654 PolarHBondContact O-N 3.26Å; S652-M655 PolarHBondContact O-N 2.85Å; S652-K656 WeakPolarHBondContact O-CG 3.49Å; S652-K656 PolarHBondContact O-N 3.07Å
653A81.2Confident69.9Low42 Ų4284.9 Ų84.935%0.34749%0.491SS..Hα-helixtrans-77.9-6.2175.800000113.7K649 W650 E651 S657K649-A653 VanDerWaalsContact CE-C 3.5Å; K649-A653 WeakPolarHBondContact CE-O 3.48Å; K649-A653 HydrophobicContact CG-CB 4.3Å; K649-A653 PolarHBondContact NZ-O 3.15Å; W650-A653 HydrophobicContact CB-CB 4.34Å; W650-A653 WeakPolarHBondContact O-CB 3.42Å; W650-A653 PolarHBondContact O-N 3.06Å; W650-A653 VanDerWaalsContact O-N 3.16Å; E651-A653 PolarHBondContact O-N 3.01Å; A653-S657 PolarHBondContact O-OG 3.23Å
654L77.8Confident68.6Low21 Ų2179.2 Ų79.211%0.1149%0.493CS..Hα-helixtrans-94.6-42.4167.9-75.1153.1000110.8V603 P606 Y631 K649 W650 E651 S652 K656 S657 S658V603-L654 HydrophobicContact CG1-CB 4.43Å; P606-L654 HydrophobicContact CB-CD2 4.26Å; P606-L654 HydrophobicContact CG-CD1 3.95Å; P606-L654 HydrophobicContact CG-CD2 4.18Å; Y631-L654 HydrophobicContact CD2-CD1 3.32Å; Y631-L654 HydrophobicContact CE2-CD1 3.43Å; Y631-L654 VanDerWaalsContact CE2-CD1 3.43Å; Y631-L654 HydrophobicContact CG-CD1 4.13Å; K649-L654 HydrophobicContact CD-CD1 4.36Å; K649-L654 HydrophobicContact CD-CD2 3.98Å; K649-L654 HydrophobicContact CD-CG 3.87Å; K649-L654 HydrophobicContact CG-CD1 4.47Å; K649-L654 HydrophobicContact CG-CG 4.34Å; W650-L654 PolarHBondContact O-N 3.47Å; E651-L654 WeakPolarHBondContact O-CA 3.43Å; E651-L654 WeakPolarHBondContact O-CB 3.49Å; E651-L654 PolarHBondContact O-N 3.48Å; S652-L654 VanDerWaalsContact C-N 3.26Å; S652-L654 PolarHBondContact O-N 3.26Å; L654-K656 PolarHBondContact O-N 3.29Å; L654-S657 WeakPolarHBondContact CA-OG 3.49Å; L654-S657 PolarHBondContact O-N 3.13Å; L654-S657 PolarHBondContact O-OG 2.99Å; L654-S658 PolarHBondContact O-N 3.08Å
655M74Confident66.9Low92 Ų9284 Ų8445%0.45353%0.531SS..Hα-helixtrans-61.7-42.1175.5-69.5-173.1167.700112.2V603 E651 S652 S657 S658V603-M655 HydrophobicContact CG2-CE 3.79Å; V603-M655 HydrophobicContact CG2-CG 4.31Å; E651-M655 PolarHBondContact O-N 2.99Å; S652-M655 PolarHBondContact O-N 2.85Å; M655-S657 PolarHBondContact O-N 2.96Å; M655-S657 VanDerWaalsContact O-N 3.15Å; M655-S658 PolarHBondContact O-N 2.73Å; M655-S658 VanDerWaalsContact O-N 3.08Å
656K67.5Low64.4Low171 Ų17185 Ų8574%0.74355%0.55SS*.Hα-helixtrans-61.3-18171.8-76.6-171.9174-171.10114.6S652 L654 S659S652-K656 WeakPolarHBondContact O-CG 3.49Å; S652-K656 PolarHBondContact O-N 3.07Å; L654-K656 PolarHBondContact O-N 3.29Å; K656-S659 PolarHBondContact O-OG 2.87Å
657S59.9Low62Low69 Ų6987.9 Ų87.948%0.48356%0.56SS.*Hα-helixtrans-95.8-6.5175.251.10000114.3A653 L654 M655A653-S657 PolarHBondContact O-OG 3.23Å; L654-S657 WeakPolarHBondContact CA-OG 3.49Å; L654-S657 PolarHBondContact O-N 3.13Å; L654-S657 PolarHBondContact O-OG 2.99Å; M655-S657 PolarHBondContact O-N 2.96Å; M655-S657 VanDerWaalsContact O-N 3.15Å
658S57.7Low59.3Low99 Ų9990.2 Ų90.269%0.69258%0.583SS**Hα-helixtrans-99.6-2.7173.7-65.70000113.6L654 M655L654-S658 PolarHBondContact O-N 3.08Å; M655-S658 PolarHBondContact O-N 2.73Å; M655-S658 VanDerWaalsContact O-N 3.08Å
659S50.5Low56.4Low94 Ų9491.7 Ų91.766%0.65760%0.6SS**SBendtrans-92.77.5178.454.70000114.4K656K656-S659 PolarHBondContact O-OG 2.87Å
660V45.4Very low53.6Low119 Ų11993.2 Ų93.272%0.72162%0.619SS**  trans-102.3108.3172.8-177.70000108.3
661A38.9Very low50.6Low84 Ų8497.3 Ų97.369%0.69465%0.646SS**PPolyproline II helixtrans-76.7145.8173.700000110.8
662P43.2Very low47.8Very low113 Ų113101.2 Ų101.273%0.73468%0.675SS**PPolyproline II helixtrans-70.1151.9169.431.5-34.7000110.7
663P34.9Very low45.3Very low126 Ų126106.6 Ų106.682%0.81869%0.693SS**PPolyproline II helixtrans-64141.2170.328.7-34.3000110.3
664A34.3Very low42.9Very low106 Ų106110 Ų11088%0.87671%0.709SS**PPolyproline II helixtrans-73.7138.7178.800000111.3
665A35.5Very low40.6Very low111 Ų111115.7 Ų115.792%0.91774%0.739SS**PPolyproline II helixtrans-95.9134.3170.500000110.3
666G31.7Very low38.6Very low71 Ų71115.9 Ų115.973%0.73275%0.75SS**  trans176.894.1175.700000115.1
667S30.8Very low36.9Very low124 Ų124113.9 Ų113.987%0.86775%0.752SS**  trans63.3149.8165.7-73.10000119.1
668S32.2Very low35.6Very low100 Ų100118.3 Ų118.370%0.69977%0.77SS**  cis-166.8165.9-21.651.70000110.3
669V30.5Very low35.3Very low135 Ų135118.4 Ų118.482%0.81877%0.768SS**  trans61.9110.3165.6-1670000117.7
670S30.7Very low34.3Very low98 Ų98122.8 Ų122.869%0.68577%0.771SS**  178.5137.7103-163.20000114.1
671L31.6Very low33.5Very low163 Ų163126.3 Ų126.385%0.85377%0.772SS**  trans50.1151.8158.9-101.365.4000123.2
672C30.8Very low33.4Very low115 Ų115133.1 Ų133.178%0.77778%0.779SS**  trans-114.8154.7-178.4-49.80000110.9
673Q31.2Very low33.6Very low185 Ų185133.8 Ų133.886%0.86478%0.783SS**  trans159155.2142.9-91.8169.1-36.300110.2
674V32.3Very low33.8Very low114 Ų114137 Ų13769%0.69179%0.787SS**  cis-170.8156.7-32.1121.90000107.2
675N29.3Very low34.2Very low140 Ų140142.8 Ų142.875%0.74979%0.787SS**  trans67.1110165.3-74-12.5000122.9
676S31.5Very low34.5Very low97 Ų97147.6 Ų147.668%0.67879%0.787SS**  66140.6106.3-52.50000125.1
677T30.9Very low35.4Very low128 Ų128149.1 Ų149.179%0.78579%0.787SS**  trans70.3101.1148.4410000122.6
678L32.7Very low36Very low163 Ų163153.2 Ų153.285%0.85381%0.813SS**  32.7157.5111.8-76.2175.2000121.8
679P51.6Low36.2Very low101 Ų101155.9 Ų155.966%0.65682%0.819SS**  cis-142.1-163.2-0.839-17.1000116.6
680Y29.4Very low36.5Very low186 Ų186157 Ų15773%0.72982%0.819SS**  trans80.4148.9152.9-102.3-145.4000119.8
681R29.3Very low36.8Very low192 Ų192160.3 Ų160.373%0.72583%0.826SS**  cis-153.5160.7-9.9-151.8-168-155.2178.314.1111.1
682R36.6Very low37.1Very low228 Ų228160.1 Ų160.186%0.8683%0.825SS**  trans-88.8155.1160.7-71.6-177.7175.6173-2.1111.9
683P46.9Very low37.5Very low126 Ų126162.9 Ų162.982%0.81883%0.827SS**  trans-80.6159.7150.1-5.324.4000111.7
684Q39.6Very low37.9Very low193 Ų193161.5 Ų161.590%0.90283%0.825SS**  trans-133.5169.7177.6-154.1177.54.700110.9
685R43.2Very low38.3Very low228 Ų228164.9 Ų164.986%0.8684%0.835SS**  trans-52153.7176.4-68.5176.2171.5168.2-6.1113
686K41.8Very low39Very low212 Ų212166.8 Ų166.892%0.92284%0.841SS**  trans-104.3158.8145-75-172.5174.5-176.10109.2
687S49.5Very low39.6Very low104 Ų104172.6 Ų172.673%0.72786%0.855SS**  trans-133.2148.8-178.6-47.90000110.5
688C44.2Very low40.4Very low210 Ų210176.6 Ų176.6100%1.41986%0.861SS**  trans-135.80134.4-82.70000105.9

Retrieved 688 of 688 residues in 688.8 ms (Link to these results)

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