A0A087XRI8_POEFO Loading...

5-phosphohydroxy-L-lysine phospho-lyase

AlphaFold DB , UniProt , Accession A0A087XRI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M45.7Very low80.4Confident233 Ų233121.4 Ų121.4100%1.14858%0.58SS**  0132.30-71.3-172.1-84.900106.6E3M1-E3 PolarHBondContact O-N 2.96Å
2A50.7Low81.6Confident107 Ų107115 Ų11588%0.88455%0.552SS**  trans-70.399.3176.700000107.6
3E60.3Low82.8Confident170 Ų170116.1 Ų116.179%0.79456%0.556SS**  trans-61.6133.9174.6-73.4173.5168.600109.3M1 R5M1-E3 PolarHBondContact O-N 2.96Å; E3-R5 WeakPolarHBondContact O-CG 3.37Å; E3-R5 PolarHBondContact O-N 2.72Å; E3-R5 VanDerWaalsContact O-N 3.13Å
4E74.9Confident83.8Confident103 Ų103112 Ų11248%0.48154%0.537SS..  trans-62.6113.6172.7-70.1-169.5-15000109.6K33 V35 E45E4-K33 IonicContact OE2-NZ 3.72Å; E4-K33 PolarHBondContact OE2-NZ 3.26Å; E4-V35 HydrophobicContact CG-CB 4.41Å; E4-V35 HydrophobicContact CG-CG1 4.19Å; E4-V35 WeakPolarHBondContact OE1-CB 3.32Å; E4-V35 WeakPolarHBondContact OE1-CG1 3.49Å; E4-V35 VanDerWaalsContact OE1-CG2 3.3Å; E4-V35 WeakPolarHBondContact OE1-CG2 3.28Å; E4-E45 WeakPolarHBondContact OE2-CB 3.48Å
5R82Confident84.6Confident216 Ų216109.9 Ų109.982%0.81552%0.521SS*.  trans-85.6-24.2-172.9-63.8-172.5177.3-177-2.2114.4E3E3-R5 WeakPolarHBondContact O-CG 3.37Å; E3-R5 PolarHBondContact O-N 2.72Å; E3-R5 VanDerWaalsContact O-N 3.13Å
6F92.6Very high85.2Confident98 Ų98111.9 Ų111.943%0.4353%0.53SS..SBendtrans-142.6151.6-171.6-56.8-64.1000111.5E10 M14 K33F6-E10 HydrophobicContact CB-CB 4.06Å; F6-M14 HydrophobicContact CD1-SD 4.36Å; F6-M14 HydrophobicContact CD2-SD 4.11Å; F6-M14 HydrophobicContact CE1-SD 4.15Å; F6-M14 HydrophobicContact CE2-CE 4.23Å; F6-M14 HydrophobicContact CE2-SD 3.88Å; F6-M14 HydrophobicContact CG-SD 4.35Å; F6-M14 HydrophobicContact CZ-CE 4.25Å; F6-M14 HydrophobicContact CZ-SD 3.9Å; F6-K33 PolarHBondContact O-NZ 3.42Å
7R94.1Very high85.9Confident158 Ų158115.8 Ų115.860%0.59654%0.539SS*.  trans-70.4168.2167.7-65.4-179.4-66155.33.6111E9 E10 T11R7-E9 VanDerWaalsContact C-N 3.35Å; R7-E9 PolarHBondContact O-N 3.49Å; R7-E10 IonicContact CZ-OE1 3.53Å; R7-E10 PolarHBondContact N-OE2 2.92Å; R7-E10 IonicContact NE-OE1 2.86Å; R7-E10 PolarHBondContact NE-OE1 3.27Å; R7-E10 VanDerWaalsContact NE-OE1 3.08Å; R7-E10 IonicContact NE-OE2 3.54Å; R7-E10 IonicContact NH2-OE1 3.25Å; R7-E10 PolarHBondContact NH2-OE1 3.2Å; R7-E10 PolarHBondContact O-N 3.37Å; R7-T11 WeakPolarHBondContact O-CB 3.41Å; R7-T11 PolarHBondContact O-N 3.21Å; R7-T11 PolarHBondContact O-OG1 2.66Å
8K95.3Very high86.6Confident33 Ų33114.9 Ų114.914%0.14354%0.537CS..Hα-helixtrans-59.6-44.6179.9172.5177.1159.4174.20111.8T11 L12 D30 P31 K33 E45K8-T11 WeakPolarHBondContact O-CB 3.47Å; K8-T11 PolarHBondContact O-N 3.3Å; K8-L12 HydrophobicContact CG-CD1 4.14Å; K8-L12 WeakPolarHBondContact O-CG 3.38Å; K8-L12 PolarHBondContact O-N 3.13Å; K8-D30 IonicContact NZ-OD1 3.84Å; K8-D30 PolarHBondContact NZ-OD1 3.48Å; K8-P31 WeakPolarHBondContact CE-O 3.38Å; K8-P31 PolarHBondContact NZ-O 3.01Å; K8-K33 HydrophobicContact CB-CB 4.33Å; K8-K33 HydrophobicContact CB-CD 4.32Å; K8-K33 HydrophobicContact CG-CB 4.33Å; K8-E45 WeakPolarHBondContact CB-OE1 3.24Å
9E95.9Very high87.2Confident104 Ų104112.9 Ų112.949%0.48653%0.53SS..Hα-helixtrans-62.4-48.5-178.9-61.270.1-149.100110.9R7 T11 L12 E13R7-E9 VanDerWaalsContact C-N 3.35Å; R7-E9 PolarHBondContact O-N 3.49Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.45Å; E9-L12 WeakPolarHBondContact O-CB 3.42Å; E9-L12 PolarHBondContact O-N 3.09Å; E9-L12 VanDerWaalsContact O-N 3.09Å; E9-E13 WeakPolarHBondContact O-CG 3.44Å; E9-E13 PolarHBondContact O-N 2.95Å
10E96.6Very high87.6Confident59 Ų59109.6 Ų109.628%0.27653%0.527SS..Hα-helixtrans-59.9-40.9176.4-69.9161.3-176.100111.4F6 R7 L12 E13 M14F6-E10 HydrophobicContact CB-CB 4.06Å; R7-E10 IonicContact CZ-OE1 3.53Å; R7-E10 PolarHBondContact N-OE2 2.92Å; R7-E10 IonicContact NE-OE1 2.86Å; R7-E10 PolarHBondContact NE-OE1 3.27Å; R7-E10 VanDerWaalsContact NE-OE1 3.08Å; R7-E10 IonicContact NE-OE2 3.54Å; R7-E10 IonicContact NH2-OE1 3.25Å; R7-E10 PolarHBondContact NH2-OE1 3.2Å; R7-E10 PolarHBondContact O-N 3.37Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.45Å; E10-E13 PolarHBondContact O-N 2.78Å; E10-M14 WeakPolarHBondContact O-CB 3.49Å; E10-M14 VanDerWaalsContact O-CG 3.27Å; E10-M14 WeakPolarHBondContact O-CG 3.39Å; E10-M14 PolarHBondContact O-N 2.82Å
11T96.1Very high87.9Confident54 Ų54112.6 Ų112.633%0.33154%0.541SS..Hα-helixtrans-62.4-40.3175.7-57.20000111.4R7 K8 E9 R15R7-T11 WeakPolarHBondContact O-CB 3.41Å; R7-T11 PolarHBondContact O-N 3.21Å; R7-T11 PolarHBondContact O-OG1 2.66Å; K8-T11 WeakPolarHBondContact O-CB 3.47Å; K8-T11 PolarHBondContact O-N 3.3Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.45Å; T11-R15 VanDerWaalsContact O-CB 3.32Å; T11-R15 WeakPolarHBondContact O-CB 3.35Å; T11-R15 PolarHBondContact O-N 3.32Å
12L95.5Very high90.1Very high45 Ų45106.6 Ų106.624%0.23652%0.522CS..Hα-helixtrans-69.2-45.1178.6-72.1171.1000112.1K8 E9 E10 M14 R15 Q16 L25 P31K8-L12 HydrophobicContact CG-CD1 4.14Å; K8-L12 WeakPolarHBondContact O-CG 3.38Å; K8-L12 PolarHBondContact O-N 3.13Å; E9-L12 WeakPolarHBondContact O-CB 3.42Å; E9-L12 PolarHBondContact O-N 3.09Å; E9-L12 VanDerWaalsContact O-N 3.09Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.45Å; L12-M14 VanDerWaalsContact C-N 3.34Å; L12-M14 PolarHBondContact O-N 3.43Å; L12-R15 PolarHBondContact O-N 2.88Å; L12-Q16 WeakPolarHBondContact O-CG 3.36Å; L12-Q16 PolarHBondContact O-N 3.21Å; L12-L25 HydrophobicContact CD2-CD1 3.88Å; L12-P31 HydrophobicContact CD1-CG 3.99Å; L12-P31 HydrophobicContact CD2-CG 3.55Å; L12-P31 HydrophobicContact CG-CG 4.38Å
13E96.4Very high92.1Very high129 Ų129104.7 Ų104.760%0.60350%0.501SS*.Hα-helixtrans-58.2-47174.9-72.4178.3-177.300111.2E9 E10 R15 Q16 R17E9-E13 WeakPolarHBondContact O-CG 3.44Å; E9-E13 PolarHBondContact O-N 2.95Å; E10-E13 PolarHBondContact O-N 2.78Å; E13-R15 VanDerWaalsContact C-N 3.34Å; E13-R15 PolarHBondContact O-N 3.26Å; E13-Q16 PolarHBondContact O-N 3.46Å; E13-R17 PolarHBondContact O-N 3.09Å; E13-R17 VanDerWaalsContact O-N 3.08Å
14M96.6Very high93.6Very high59 Ų59107.4 Ų107.429%0.29150%0.504SS..Hα-helixtrans-62.3-42176-72.5-17572.300111.8F6 E10 L12 R17 L18F6-M14 HydrophobicContact CD1-SD 4.36Å; F6-M14 HydrophobicContact CD2-SD 4.11Å; F6-M14 HydrophobicContact CE1-SD 4.15Å; F6-M14 HydrophobicContact CE2-CE 4.23Å; F6-M14 HydrophobicContact CE2-SD 3.88Å; F6-M14 HydrophobicContact CG-SD 4.35Å; F6-M14 HydrophobicContact CZ-CE 4.25Å; F6-M14 HydrophobicContact CZ-SD 3.9Å; E10-M14 WeakPolarHBondContact O-CB 3.49Å; E10-M14 VanDerWaalsContact O-CG 3.27Å; E10-M14 WeakPolarHBondContact O-CG 3.39Å; E10-M14 PolarHBondContact O-N 2.82Å; L12-M14 VanDerWaalsContact C-N 3.34Å; L12-M14 PolarHBondContact O-N 3.43Å; M14-R17 PolarHBondContact O-N 3.39Å; M14-L18 HydrophobicContact CB-CD1 4.39Å; M14-L18 HydrophobicContact CE-CD1 3.98Å; M14-L18 WeakPolarHBondContact O-CB 3.36Å; M14-L18 WeakPolarHBondContact O-CG 3.38Å; M14-L18 PolarHBondContact O-N 2.88Å
15R95.9Very high94.5Very high80 Ų80105.9 Ų105.930%0.30250%0.499SS..Hα-helixtrans-62.3-44.8177-173.6-176.7178.583.6-0.4111.4T11 L12 E13 R17 L18 I19 C23T11-R15 VanDerWaalsContact O-CB 3.32Å; T11-R15 WeakPolarHBondContact O-CB 3.35Å; T11-R15 PolarHBondContact O-N 3.32Å; L12-R15 PolarHBondContact O-N 2.88Å; E13-R15 VanDerWaalsContact C-N 3.34Å; E13-R15 PolarHBondContact O-N 3.26Å; R15-R17 PolarHBondContact O-N 2.91Å; R15-L18 PolarHBondContact O-N 2.92Å; R15-I19 HydrophobicContact CG-CB 3.88Å; R15-I19 HydrophobicContact CG-CG1 3.94Å; R15-I19 WeakPolarHBondContact O-CA 3.44Å; R15-I19 WeakPolarHBondContact O-CB 3.47Å; R15-I19 PolarHBondContact O-N 3.38Å; R15-C23 PolarHBondContact NH2-O 3.43Å
16Q94.9Very high95.1Very high142 Ų142101.4 Ų101.466%0.66449%0.485SS*.Hα-helixtrans-60-35.5177.6-73.6173.92.900112L12 E13L12-Q16 WeakPolarHBondContact O-CG 3.36Å; L12-Q16 PolarHBondContact O-N 3.21Å; E13-Q16 PolarHBondContact O-N 3.46Å
17R97.4Very high95.1Very high179 Ų17998.7 Ų98.768%0.67547%0.473SS*.Hα-helixtrans-80.7-36.1178.8-173.6173.563.785.4-1.1114E13 M14 R15E13-R17 PolarHBondContact O-N 3.09Å; E13-R17 VanDerWaalsContact O-N 3.08Å; M14-R17 PolarHBondContact O-N 3.39Å; R15-R17 PolarHBondContact O-N 2.91Å
18L97.7Very high94.8Very high99 Ų9995.9 Ų95.952%0.51848%0.477SS..Hα-helixtrans-109.5-21.7-165.6-63175.5000114.6M14 R15M14-L18 HydrophobicContact CB-CD1 4.39Å; M14-L18 HydrophobicContact CE-CD1 3.98Å; M14-L18 WeakPolarHBondContact O-CB 3.36Å; M14-L18 WeakPolarHBondContact O-CG 3.38Å; M14-L18 PolarHBondContact O-N 2.88Å; R15-L18 PolarHBondContact O-N 2.92Å
19I97.4Very high94.6Very high77 Ų77102 Ų10240%0.39551%0.507SS..SBendtrans-114.6135.4-175.6-52.9-59.5000109.4R15 Q21 C23R15-I19 HydrophobicContact CG-CB 3.88Å; R15-I19 HydrophobicContact CG-CG1 3.94Å; R15-I19 WeakPolarHBondContact O-CA 3.44Å; R15-I19 WeakPolarHBondContact O-CB 3.47Å; R15-I19 PolarHBondContact O-N 3.38Å; I19-Q21 PolarHBondContact O-N 3.32Å; I19-C23 HydrophobicContact CG2-CB 3.98Å
20G96.3Very high94.4Very high46 Ų46100.3 Ų100.347%0.47450%0.501SS..  trans-56.4132.6179.100000112.2S22 C23G20-S22 PolarHBondContact O-N 3.34Å; G20-C23 WeakPolarHBondContact O-CB 3.43Å; G20-C23 PolarHBondContact O-N 2.91Å
21Q92.8Very high94.4Very high173 Ų17398.2 Ų98.281%0.80849%0.492SS*.THydrogen-bonded Turntrans-63.5-16.9-175.5-64.5-177.5-9.200113.9I19 C23I19-Q21 PolarHBondContact O-N 3.32Å; Q21-C23 PolarHBondContact O-N 3.46Å
22S92.6Very high94.4Very high108 Ų10897.1 Ų97.176%0.75549%0.485SS*.THydrogen-bonded Turntrans-65.8-21.6171.255.60000113.1G20 R24G20-S22 PolarHBondContact O-N 3.34Å; S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.96Å
23C93.4Very high94.4Very high67 Ų6796.7 Ų96.745%0.45348%0.481SS..SBendtrans-80.577.1174-61.30000110.3R15 I19 G20 Q21R15-C23 PolarHBondContact NH2-O 3.43Å; I19-C23 HydrophobicContact CG2-CB 3.98Å; G20-C23 WeakPolarHBondContact O-CB 3.43Å; G20-C23 PolarHBondContact O-N 2.91Å; Q21-C23 PolarHBondContact O-N 3.46Å
24R91.9Very high94.3Very high227 Ų22793.6 Ų93.686%0.85747%0.469SS*.PPolyproline II helixtrans-65.6147.9-177-63.6-171.6178.3-166.3-1.6112.6S22S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.96Å
25L94.1Very high94.3Very high70 Ų7093.7 Ų93.737%0.36647%0.472SS..PPolyproline II helixtrans-92.4151.6169.8-66.8172.9000109.9L12 P31L12-L25 HydrophobicContact CD2-CD1 3.88Å; L25-P31 HydrophobicContact CB-CB 4.2Å; L25-P31 HydrophobicContact CD1-CB 3.71Å; L25-P31 HydrophobicContact CD1-CG 3.9Å
26F92.8Very high94.3Very high122 Ų12296.5 Ų96.554%0.53549%0.486SS..SBendtrans-64.1149.2159.8-73.7-70.6000109.7S28F26-S28 PolarHBondContact O-N 2.9Å
27Y93.4Very high94.4Very high42 Ų4290.4 Ų90.417%0.16546%0.461CS..SBendtrans52.954.8179.5-46.6-75.2000111.9E29 D30 P31 V389 K393 F399 V400Y27-E29 PolarHBondContact O-N 3.45Å; Y27-D30 CarbonylContact O-C 3.55Å; Y27-D30 PolarHBondContact O-N 3.28Å; Y27-P31 WeakPolarHBondContact O-CA 3.46Å; Y27-P31 WeakPolarHBondContact O-CD 3.45Å; Y27-V389 HydrophobicContact CE1-CG1 3.72Å; Y27-K393 HydrophobicContact CD1-CB 4.27Å; Y27-K393 HydrophobicContact CD1-CD 3.3Å; Y27-K393 HydrophobicContact CD1-CG 4.37Å; Y27-K393 HydrophobicContact CD2-CD 3.68Å; Y27-K393 HydrophobicContact CE1-CB 3.89Å; Y27-K393 HydrophobicContact CE1-CD 3.73Å; Y27-K393 HydrophobicContact CE1-CG 4.38Å; Y27-K393 HydrophobicContact CE2-CD 4.07Å; Y27-K393 HydrophobicContact CG-CD 3.28Å; Y27-F399 HydrophobicContact CD2-CD1 4.4Å; Y27-F399 HydrophobicContact CD2-CE1 4.34Å; Y27-F399 AromaticContact CE2-CD1 3.41Å; Y27-F399 HydrophobicContact CE2-CD1 3.41Å; Y27-F399 VanDerWaalsContact CE2-CD1 3.41Å; Y27-F399 AromaticContact CE2-CE1 3.75Å; Y27-F399 HydrophobicContact CE2-CE1 3.75Å; Y27-F399 HydrophobicContact CE2-CG 4.26Å; Y27-F399 AromaticContact CZ-CD1 3.72Å; Y27-F399 VanDerWaalsContact OH-CA 3.32Å; Y27-F399 WeakPolarHBondContact OH-CA 3.34Å; Y27-V400 PolarHBondContact OH-N 3.38Å; Y27-V400 PolarHBondContact OH-O 2.99Å
28S88.6Confident94.5Very high99 Ų9990.2 Ų90.269%0.69246%0.46SS*.THydrogen-bonded Turntrans-56.6-26.1-168.450.90000115.7F26F26-S28 PolarHBondContact O-N 2.9Å
29E89.7Confident94.5Very high162 Ų16286.3 Ų86.376%0.75744%0.444SS*.THydrogen-bonded Turntrans-70.6-37174.6-65.1-179.9178.500112.5Y27 K390Y27-E29 PolarHBondContact O-N 3.45Å; E29-K390 IonicContact OE2-NZ 2.8Å; E29-K390 PolarHBondContact OE2-NZ 3.32Å
30D93.4Very high94.5Very high67 Ų6783.9 Ų83.936%0.35843%0.431SS..SBendtrans-146.877.3-179.3177.441.2000110.1K8 Y27 K393K8-D30 IonicContact NZ-OD1 3.84Å; K8-D30 PolarHBondContact NZ-OD1 3.48Å; Y27-D30 CarbonylContact O-C 3.55Å; Y27-D30 PolarHBondContact O-N 3.28Å; D30-K393 WeakPolarHBondContact O-CE 3.36Å; D30-K393 PolarHBondContact O-NZ 3.43Å; D30-K393 IonicContact OD2-NZ 3.36Å; D30-K393 PolarHBondContact OD2-NZ 2.77Å
31P95.1Very high94.6Very high15 Ų1584 Ų8410%0.09742%0.417CS..  trans-70.5147.9-177.927.3-34.6000110.9K8 L12 L25 Y27K8-P31 WeakPolarHBondContact CE-O 3.38Å; K8-P31 PolarHBondContact NZ-O 3.01Å; L12-P31 HydrophobicContact CD1-CG 3.99Å; L12-P31 HydrophobicContact CD2-CG 3.55Å; L12-P31 HydrophobicContact CG-CG 4.38Å; L25-P31 HydrophobicContact CB-CB 4.2Å; L25-P31 HydrophobicContact CD1-CB 3.71Å; L25-P31 HydrophobicContact CD1-CG 3.9Å; Y27-P31 WeakPolarHBondContact O-CA 3.46Å; Y27-P31 WeakPolarHBondContact O-CD 3.45Å
32V95.8Very high94.9Very high31 Ų3177.1 Ų77.119%0.18839%0.385CS..  trans-95.5131.8178.6-168.80000110I34 D44 Y50 K393 F399V32-I34 HydrophobicContact CB-CD1 4.2Å; V32-I34 HydrophobicContact CG1-CD1 3.6Å; V32-I34 PolarHBondContact O-N 3.45Å; V32-D44 HydrophobicContact CG1-CB 3.74Å; V32-Y50 HydrophobicContact CG1-CE2 3.87Å; V32-Y50 HydrophobicContact CG2-CE1 4.36Å; V32-K393 HydrophobicContact CG2-CD 4.28Å; V32-K393 VanDerWaalsContact CG2-CE 3.43Å; V32-F399 HydrophobicContact CB-CE1 4.45Å; V32-F399 HydrophobicContact CB-CZ 4Å; V32-F399 HydrophobicContact CG1-CZ 4.19Å; V32-F399 HydrophobicContact CG2-CE1 3.83Å; V32-F399 HydrophobicContact CG2-CZ 3.86Å
33K95.9Very high95.1Very high36 Ų3674.3 Ų74.316%0.15736%0.359CS..  trans-88.5101.4173.7174-169167.2-1460108.7E4 F6 K8 V35 D44 E45E4-K33 IonicContact OE2-NZ 3.72Å; E4-K33 PolarHBondContact OE2-NZ 3.26Å; F6-K33 PolarHBondContact O-NZ 3.42Å; K8-K33 HydrophobicContact CB-CB 4.33Å; K8-K33 HydrophobicContact CB-CD 4.32Å; K8-K33 HydrophobicContact CG-CB 4.33Å; K33-V35 HydrophobicContact CD-CG1 4.46Å; K33-V35 HydrophobicContact CG-CG1 4.16Å; K33-D44 VanDerWaalsContact O-CA 3.27Å; K33-D44 WeakPolarHBondContact O-CA 3.26Å; K33-E45 WeakPolarHBondContact CB-OE2 3.2Å; K33-E45 HydrophobicContact CD-CB 4.25Å; K33-E45 HydrophobicContact CD-CG 4.48Å; K33-E45 PolarHBondContact O-N 2.87Å
34I95.7Very high95.3Very high65 Ų6571.6 Ų71.633%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-84.5130.6179.3-56.4-56.2000110.6V32 M42 F399V32-I34 HydrophobicContact CB-CD1 4.2Å; V32-I34 HydrophobicContact CG1-CD1 3.6Å; V32-I34 PolarHBondContact O-N 3.45Å; I34-M42 HydrophobicContact CD1-CB 4.01Å; I34-M42 HydrophobicContact CD1-SD 4.35Å; I34-M42 HydrophobicContact CG1-CB 4.46Å; I34-M42 HydrophobicContact CG1-SD 4Å; I34-M42 HydrophobicContact CG2-CB 3.92Å; I34-M42 HydrophobicContact CG2-CG 4.22Å; I34-M42 HydrophobicContact CG2-SD 4.14Å; I34-F399 HydrophobicContact CD1-CE2 3.98Å; I34-F399 HydrophobicContact CD1-CZ 4.08Å
35V96.1Very high95.4Very high60 Ų6063.1 Ų63.136%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-123.4-19.3-174.2-57.20000112.9E4 K33 F43 D44 E45E4-V35 HydrophobicContact CG-CB 4.41Å; E4-V35 HydrophobicContact CG-CG1 4.19Å; E4-V35 WeakPolarHBondContact OE1-CB 3.32Å; E4-V35 WeakPolarHBondContact OE1-CG1 3.49Å; E4-V35 VanDerWaalsContact OE1-CG2 3.3Å; E4-V35 WeakPolarHBondContact OE1-CG2 3.28Å; K33-V35 HydrophobicContact CD-CG1 4.46Å; K33-V35 HydrophobicContact CG-CG1 4.16Å; V35-F43 PolarHBondContact N-O 3.41Å; V35-D44 VanDerWaalsContact CG2-O 3.32Å; V35-D44 WeakPolarHBondContact CG2-O 3.33Å; V35-E45 HydrophobicContact CG1-CB 4.15Å
36K95.9Very high95.4Very high139 Ų13966 Ų6660%0.60433%0.327SS*.EExtended strand (participates in β ladder)trans-148.8151.9179.1177.5-177.8-179.6-176.30110M42 F43K36-M42 CarbonylContact O-C 3.48Å; K36-F43 HydrophobicContact CB-CB 4.18Å; K36-F43 HydrophobicContact CB-CD2 4.38Å; K36-F43 HydrophobicContact CD-CD2 4.44Å; K36-F43 HydrophobicContact CG-CD2 4.15Å; K36-F43 PolarHBondContact N-O 2.83Å; K36-F43 PolarHBondContact O-N 3.23Å
37A97.4Very high95.5Very high15 Ų1562.7 Ų62.712%0.12433%0.327CS..EExtended strand (participates in β ladder)trans-152.2155.617300000111Y41 M42 H62 C63A37-Y41 CarbonylContact C-O 3.36Å; A37-Y41 VanDerWaalsContact CA-O 3.23Å; A37-Y41 WeakPolarHBondContact CA-O 3.48Å; A37-Y41 WeakPolarHBondContact CB-O 3.4Å; A37-M42 HydrophobicContact CB-CB 4.48Å; A37-M42 HydrophobicContact CB-CG 4.07Å; A37-H62 HydrophobicContact CB-CB 3.42Å; A37-H62 VanDerWaalsContact CB-CB 3.42Å; A37-C63 WeakPolarHBondContact O-CB 3.42Å; A37-C63 PolarHBondContact O-SG 3.34Å
38R97.7Very high95.6Very high174 Ų17464.6 Ų64.666%0.65734%0.336SS*.EExtended strand (participates in β ladder)trans-159.2131.6172.7-174.4168.1179.1169.3-1.5110.3Q40 Y41 H62R38-Q40 PolarHBondContact O-N 3.45Å; R38-Y41 PolarHBondContact N-O 3.43Å; R38-Y41 PolarHBondContact O-N 3.38Å; R38-H62 CarbonylContact C-O 3.6Å; R38-H62 WeakPolarHBondContact CA-O 3.26Å
39G98Very high96.1Very high17 Ų1766.8 Ų66.818%0.17533%0.329CS..BIsolated β-bridgetrans61.5-126.2-178.900000110.6G61 H62G39-G61 CarbonylContact O-C 3.37Å; G39-G61 WeakPolarHBondContact O-CA 3.04Å; G39-H62 PolarHBondContact N-O 3.15Å; G39-H62 WeakPolarHBondContact O-CB 3.4Å; G39-H62 PolarHBondContact O-CD2 2.94Å; G39-H62 PolarHBondContact O-N 2.98Å
40Q98.3Very high96.5Very high26 Ų2659.8 Ų59.812%0.12130%0.296CS..THydrogen-bonded Turntrans-89.86.4176.370.1-83.936.400114.1R38 L51 D52 P415 F418 D422R38-Q40 PolarHBondContact O-N 3.45Å; Q40-L51 HydrophobicContact CB-CD1 4.2Å; Q40-L51 HydrophobicContact CG-CD1 3.62Å; Q40-D52 WeakPolarHBondContact O-CB 3.43Å; Q40-D52 PolarHBondContact O-N 2.76Å; Q40-P415 HydrophobicContact CB-CB 4.41Å; Q40-P415 HydrophobicContact CB-CG 4.39Å; Q40-F418 HydrophobicContact CB-CD2 4.43Å; Q40-D422 WeakPolarHBondContact CG-OD2 3.5Å; Q40-D422 PolarHBondContact NE2-OD2 3.02Å
41Y98.6Very high96.8Very high50 Ų5056.9 Ų56.920%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-113.7141.1-175.3-58.9-69.3000112.9A37 R38 R49 Y50 L51 D422A37-Y41 CarbonylContact C-O 3.36Å; A37-Y41 VanDerWaalsContact CA-O 3.23Å; A37-Y41 WeakPolarHBondContact CA-O 3.48Å; A37-Y41 WeakPolarHBondContact CB-O 3.4Å; R38-Y41 PolarHBondContact N-O 3.43Å; R38-Y41 PolarHBondContact O-N 3.38Å; Y41-R49 HydrophobicContact CD1-CG 3.89Å; Y41-R49 HydrophobicContact CG-CG 4.1Å; Y41-Y50 CarbonylContact C-O 3.45Å; Y41-Y50 VanDerWaalsContact CA-O 3.29Å; Y41-Y50 WeakPolarHBondContact CA-O 3.34Å; Y41-L51 HydrophobicContact CD1-CB 4.35Å; Y41-L51 HydrophobicContact CD1-CD1 4.12Å; Y41-L51 HydrophobicContact CE1-CB 4.2Å; Y41-L51 HydrophobicContact CE1-CD1 3.66Å; Y41-D422 PolarHBondContact OH-OD1 2.9Å
42M98.3Very high96.9Very high28 Ų2856.2 Ų56.214%0.13828%0.276CS..EExtended strand (participates in β ladder)trans-114.7157.3168.6-64.6-175.7176.500110.4I34 K36 A37 R49 Y50 D52 H62 F399I34-M42 HydrophobicContact CD1-CB 4.01Å; I34-M42 HydrophobicContact CD1-SD 4.35Å; I34-M42 HydrophobicContact CG1-CB 4.46Å; I34-M42 HydrophobicContact CG1-SD 4Å; I34-M42 HydrophobicContact CG2-CB 3.92Å; I34-M42 HydrophobicContact CG2-CG 4.22Å; I34-M42 HydrophobicContact CG2-SD 4.14Å; K36-M42 CarbonylContact O-C 3.48Å; A37-M42 HydrophobicContact CB-CB 4.48Å; A37-M42 HydrophobicContact CB-CG 4.07Å; M42-R49 CarbonylContact O-C 3.56Å; M42-R49 WeakPolarHBondContact O-CA 3.42Å; M42-Y50 PolarHBondContact N-O 3.39Å; M42-Y50 PolarHBondContact O-N 3.14Å; M42-D52 WeakPolarHBondContact CE-OD2 3.28Å; M42-H62 WeakPolarHBondContact CE-CE1 3.25Å; M42-H62 VanDerWaalsContact CE-NE2 3.33Å; M42-H62 WeakPolarHBondContact CE-NE2 3.41Å; M42-F399 HydrophobicContact CB-CE2 4.39Å; M42-F399 HydrophobicContact SD-CD2 4.19Å; M42-F399 HydrophobicContact SD-CE2 4Å
43F97.7Very high97Very high48 Ų4854.7 Ų54.721%0.21127%0.267CS..EExtended strand (participates in β ladder)trans-132.7133.8180-56.6-100.3000110.1V35 K36 K48 R49V35-F43 PolarHBondContact N-O 3.41Å; K36-F43 HydrophobicContact CB-CB 4.18Å; K36-F43 HydrophobicContact CB-CD2 4.38Å; K36-F43 HydrophobicContact CD-CD2 4.44Å; K36-F43 HydrophobicContact CG-CD2 4.15Å; K36-F43 PolarHBondContact N-O 2.83Å; K36-F43 PolarHBondContact O-N 3.23Å; F43-K48 VanDerWaalsContact CA-O 3.27Å; F43-K48 WeakPolarHBondContact CA-O 3.26Å; F43-R49 HydrophobicContact CD1-CB 3.91Å; F43-R49 HydrophobicContact CD1-CG 4.2Å; F43-R49 HydrophobicContact CE1-CB 3.66Å; F43-R49 HydrophobicContact CE1-CG 3.63Å; F43-R49 HydrophobicContact CZ-CB 4.41Å; F43-R49 HydrophobicContact CZ-CG 3.88Å
44D96.2Very high96.9Very high11 Ų1154.1 Ų54.16%0.05927%0.265CS..EExtended strand (participates in β ladder)trans-80.8177.3173.876.75.9000112.5V32 K33 V35 N46 G47 K48 Y50V32-D44 HydrophobicContact CG1-CB 3.74Å; K33-D44 VanDerWaalsContact O-CA 3.27Å; K33-D44 WeakPolarHBondContact O-CA 3.26Å; V35-D44 VanDerWaalsContact CG2-O 3.32Å; V35-D44 WeakPolarHBondContact CG2-O 3.33Å; D44-N46 PolarHBondContact O-N 2.79Å; D44-N46 VanDerWaalsContact O-N 3.16Å; D44-N46 WeakPolarHBondContact OD1-CA 3.32Å; D44-N46 WeakPolarHBondContact OD1-CB 3.48Å; D44-N46 PolarHBondContact OD1-N 3.39Å; D44-G47 PolarHBondContact O-N 2.84Å; D44-G47 PolarHBondContact OD1-N 3.01Å; D44-K48 VanDerWaalsContact CG-CB 3.48Å; D44-K48 PolarHBondContact N-O 3.08Å; D44-K48 VanDerWaalsContact N-O 3.07Å; D44-K48 VanDerWaalsContact OD1-CB 3.29Å; D44-K48 WeakPolarHBondContact OD1-CB 3.19Å; D44-K48 PolarHBondContact OD1-N 3.03Å; D44-K48 VanDerWaalsContact OD2-CB 3.25Å; D44-K48 WeakPolarHBondContact OD2-CB 3.37Å; D44-Y50 HydrophobicContact CB-CE2 3.92Å
45E94.7Very high96.7Very high48 Ų4851.9 Ų51.922%0.22426%0.255CS..THydrogen-bonded Turntrans-62-16.2178.872.2-81.4-163.100114.4E4 K8 K33 V35E4-E45 WeakPolarHBondContact OE2-CB 3.48Å; K8-E45 WeakPolarHBondContact CB-OE1 3.24Å; K33-E45 WeakPolarHBondContact CB-OE2 3.2Å; K33-E45 HydrophobicContact CD-CB 4.25Å; K33-E45 HydrophobicContact CD-CG 4.48Å; K33-E45 PolarHBondContact O-N 2.87Å; V35-E45 HydrophobicContact CG1-CB 4.15Å
46N93.5Very high96.5Very high132 Ų13249.5 Ų49.571%0.70624%0.24SC*.THydrogen-bonded Turntrans-99.24.2177.5-56.4-62.5000112D44 K48D44-N46 PolarHBondContact O-N 2.79Å; D44-N46 VanDerWaalsContact O-N 3.16Å; D44-N46 WeakPolarHBondContact OD1-CA 3.32Å; D44-N46 WeakPolarHBondContact OD1-CB 3.48Å; D44-N46 PolarHBondContact OD1-N 3.39Å; N46-K48 VanDerWaalsContact C-N 3.29Å; N46-K48 PolarHBondContact O-N 3.45Å
47G94.8Very high96.6Very high52 Ų5244.9 Ų44.954%0.53622%0.224SC..  trans77.99.2-177.100000114.2D44 R49D44-G47 PolarHBondContact O-N 2.84Å; D44-G47 PolarHBondContact OD1-N 3.01Å; G47-R49 PolarHBondContact O-N 2.9Å
48K97Very high96.6Very high82 Ų8246.3 Ų46.336%0.35723%0.228SC..  trans-68.8127.5176.7-157.4-176.7-161.9-164.90109.3F43 D44 N46 Y50 Q397F43-K48 VanDerWaalsContact CA-O 3.27Å; F43-K48 WeakPolarHBondContact CA-O 3.26Å; D44-K48 VanDerWaalsContact CG-CB 3.48Å; D44-K48 PolarHBondContact N-O 3.08Å; D44-K48 VanDerWaalsContact N-O 3.07Å; D44-K48 VanDerWaalsContact OD1-CB 3.29Å; D44-K48 WeakPolarHBondContact OD1-CB 3.19Å; D44-K48 PolarHBondContact OD1-N 3.03Å; D44-K48 VanDerWaalsContact OD2-CB 3.25Å; D44-K48 WeakPolarHBondContact OD2-CB 3.37Å; N46-K48 VanDerWaalsContact C-N 3.29Å; N46-K48 PolarHBondContact O-N 3.45Å; K48-Y50 HydrophobicContact CB-CE2 3.94Å; K48-Y50 HydrophobicContact CD-CE2 4.15Å; K48-Y50 HydrophobicContact CG-CE2 4.19Å; K48-Y50 WeakPolarHBondContact O-CD2 3.23Å; K48-Q397 HydrophobicContact CD-CG 3.64Å; K48-Q397 HydrophobicContact CG-CG 3.96Å
49R98Very high96.6Very high144 Ų14438.1 Ų38.154%0.54320%0.197SC..EExtended strand (participates in β ladder)trans-88.3131.4-178.5-174.8-179.966.9178.21.4110.5Y41 M42 F43 G47 Q397Y41-R49 HydrophobicContact CD1-CG 3.89Å; Y41-R49 HydrophobicContact CG-CG 4.1Å; M42-R49 CarbonylContact O-C 3.56Å; M42-R49 WeakPolarHBondContact O-CA 3.42Å; F43-R49 HydrophobicContact CD1-CB 3.91Å; F43-R49 HydrophobicContact CD1-CG 4.2Å; F43-R49 HydrophobicContact CE1-CB 3.66Å; F43-R49 HydrophobicContact CE1-CG 3.63Å; F43-R49 HydrophobicContact CZ-CB 4.41Å; F43-R49 HydrophobicContact CZ-CG 3.88Å; G47-R49 PolarHBondContact O-N 2.9Å; R49-Q397 VanDerWaalsContact O-CB 3.28Å; R49-Q397 WeakPolarHBondContact O-CB 3.34Å
50Y98.7Very high96.6Very high16 Ų1637.4 Ų37.46%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-117134.5175.2-64.9-99.2000111.3V32 Y41 M42 D44 K48 Q397 F399V32-Y50 HydrophobicContact CG1-CE2 3.87Å; V32-Y50 HydrophobicContact CG2-CE1 4.36Å; Y41-Y50 CarbonylContact C-O 3.45Å; Y41-Y50 VanDerWaalsContact CA-O 3.29Å; Y41-Y50 WeakPolarHBondContact CA-O 3.34Å; M42-Y50 PolarHBondContact N-O 3.39Å; M42-Y50 PolarHBondContact O-N 3.14Å; D44-Y50 HydrophobicContact CB-CE2 3.92Å; K48-Y50 HydrophobicContact CB-CE2 3.94Å; K48-Y50 HydrophobicContact CD-CE2 4.15Å; K48-Y50 HydrophobicContact CG-CE2 4.19Å; K48-Y50 WeakPolarHBondContact O-CD2 3.23Å; Y50-Q397 CarbonylContact C-O 3.6Å; Y50-Q397 WeakPolarHBondContact CA-O 3.36Å; Y50-Q397 HydrophobicContact CD1-CB 3.63Å; Y50-Q397 HydrophobicContact CD1-CG 4.11Å; Y50-Q397 HydrophobicContact CE1-CB 3.9Å; Y50-Q397 HydrophobicContact CE1-CG 3.85Å; Y50-Q397 HydrophobicContact CG-CB 4.12Å; Y50-F399 VanDerWaalsContact CB-CE2 3.44Å; Y50-F399 HydrophobicContact CD1-CD1 4.09Å; Y50-F399 AromaticContact CD1-CE1 3.42Å; Y50-F399 HydrophobicContact CD1-CE1 3.42Å; Y50-F399 VanDerWaalsContact CD1-CE1 3.42Å; Y50-F399 AromaticContact CD1-CE2 3.97Å; Y50-F399 HydrophobicContact CD1-CE2 3.97Å; Y50-F399 AromaticContact CD1-CZ 3.34Å; Y50-F399 HydrophobicContact CD1-CZ 3.34Å; Y50-F399 HydrophobicContact CD2-CE2 4.42Å; Y50-F399 HydrophobicContact CD2-CZ 4.09Å; Y50-F399 AromaticContact CE1-CE1 3.83Å; Y50-F399 HydrophobicContact CE1-CE1 3.83Å; Y50-F399 AromaticContact CE1-CZ 3.89Å; Y50-F399 HydrophobicContact CE1-CZ 3.89Å; Y50-F399 HydrophobicContact CG-CD2 4.45Å; Y50-F399 HydrophobicContact CG-CE1 4.03Å; Y50-F399 AromaticContact CG-CE2 3.71Å; Y50-F399 HydrophobicContact CG-CE2 3.71Å; Y50-F399 AromaticContact CG-CZ 3.46Å; Y50-F399 HydrophobicContact CG-CZ 3.46Å; Y50-F399 VanDerWaalsContact CG-CZ 3.46Å
51L98.9Very high96.6Very high6 Ų636.1 Ų36.13%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-81.7127.1170.5176.762.6000109.8Q40 Y41 Q397 I398 F399 F418 D422 L425Q40-L51 HydrophobicContact CB-CD1 4.2Å; Q40-L51 HydrophobicContact CG-CD1 3.62Å; Y41-L51 HydrophobicContact CD1-CB 4.35Å; Y41-L51 HydrophobicContact CD1-CD1 4.12Å; Y41-L51 HydrophobicContact CE1-CB 4.2Å; Y41-L51 HydrophobicContact CE1-CD1 3.66Å; L51-Q397 PolarHBondContact N-O 3.13Å; L51-I398 HydrophobicContact CB-CG1 4.32Å; L51-I398 HydrophobicContact CB-CG2 4.34Å; L51-I398 HydrophobicContact CD2-CG2 4.31Å; L51-I398 HydrophobicContact CG-CG2 4.46Å; L51-F399 PolarHBondContact O-N 3.42Å; L51-F418 HydrophobicContact CD1-CD2 4.17Å; L51-F418 HydrophobicContact CD1-CE2 3.73Å; L51-F418 HydrophobicContact CD2-CE2 3.94Å; L51-F418 HydrophobicContact CD2-CZ 4.16Å; L51-F418 HydrophobicContact CG-CE2 3.98Å; L51-D422 HydrophobicContact CD1-CB 4.08Å; L51-D422 WeakPolarHBondContact CD1-OD1 3.14Å; L51-D422 HydrophobicContact CD2-CB 3.96Å; L51-L425 HydrophobicContact CD2-CD2 4.3Å
52D98.5Very high96.6Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-93.7106.7-179.2-177.1-3.3000111.9Q40 M42 I54 S55 H62 P414 P415Q40-D52 WeakPolarHBondContact O-CB 3.43Å; Q40-D52 PolarHBondContact O-N 2.76Å; M42-D52 WeakPolarHBondContact CE-OD2 3.28Å; D52-I54 WeakPolarHBondContact OD1-CG1 3.2Å; D52-I54 PolarHBondContact OD1-N 3.15Å; D52-S55 VanDerWaalsContact CG-OG 3.29Å; D52-S55 PolarHBondContact OD1-N 3Å; D52-S55 PolarHBondContact OD1-OG 3.42Å; D52-S55 WeakPolarHBondContact OD2-CB 3.41Å; D52-S55 PolarHBondContact OD2-OG 2.97Å; D52-H62 IonicContact OD2-CD2 2.79Å; D52-H62 IonicContact OD2-CE1 3.65Å; D52-H62 IonicContact OD2-NE2 2.85Å; D52-H62 PolarHBondContact OD2-NE2 3.41Å; D52-P414 WeakPolarHBondContact O-CB 3.31Å; D52-P415 WeakPolarHBondContact O-CD 3.49Å
53C98.1Very high96.6Very high0 Ų037 Ų370%020%0.197CC..SBendtrans-101.44.8175.2-57.90000113.6I398 F399 V400 F412 K413C53-I398 VanDerWaalsContact SG-CG2 3.58Å; C53-F399 WeakPolarHBondContact CA-O 3.48Å; C53-F399 WeakPolarHBondContact CB-O 3.39Å; C53-F399 PolarHBondContact N-O 3.45Å; C53-V400 HydrophobicContact CB-CG2 3.83Å; C53-F412 HydrophobicContact CB-CD1 4.11Å; C53-K413 CarbonylContact O-C 3.56Å; C53-K413 PolarHBondContact O-N 3.35Å
54I93.9Very high96.6Very high23 Ų2336 Ų3612%0.11819%0.193CC..SBendtrans-116-25.7-168.746.3172.9000114.5D52 N56 F399 K413D52-I54 WeakPolarHBondContact OD1-CG1 3.2Å; D52-I54 PolarHBondContact OD1-N 3.15Å; I54-N56 PolarHBondContact O-N 3.2Å; I54-F399 HydrophobicContact CD1-CB 3.89Å; I54-F399 HydrophobicContact CG1-CB 4.08Å; I54-K413 CarbonylContact C-O 3.55Å; I54-K413 WeakPolarHBondContact O-CG 3.02Å
55S90.4Very high96.7Very high19 Ų1939 Ų3913%0.13321%0.213CC..  trans-91.497.1-169.8-50.30000113.2D52 K413D52-S55 VanDerWaalsContact CG-OG 3.29Å; D52-S55 PolarHBondContact OD1-N 3Å; D52-S55 PolarHBondContact OD1-OG 3.42Å; D52-S55 WeakPolarHBondContact OD2-CB 3.41Å; D52-S55 PolarHBondContact OD2-OG 2.97Å; S55-K413 CarbonylContact C-O 3.43Å
56N92.1Very high96.9Very high9 Ų938.5 Ų38.55%0.04822%0.217CC..SBendtrans-79.2-7.9165.967.4-21.9000113.5I54 Q249 K413I54-N56 PolarHBondContact O-N 3.2Å; N56-Q249 PolarHBondContact ND2-O 2.96Å; N56-Q249 PolarHBondContact ND2-OE1 3.07Å; N56-K413 HydrophobicContact CB-CB 4.27Å; N56-K413 PolarHBondContact N-O 3.37Å; N56-K413 VanDerWaalsContact N-O 3.1Å
57V97Very high97.1Very high43 Ų4332.9 Ų32.926%0.26119%0.187SC..SBendtrans-71.9-48.4176.3173.90000111H59 K278 N282V57-H59 PolarHBondContact O-N 3.25Å; V57-K278 HydrophobicContact CG2-CB 4Å; V57-K278 HydrophobicContact CG2-CD 4.17Å; V57-K278 HydrophobicContact CG2-CG 3.93Å; V57-N282 CarbonylContact O-C 3.58Å; V57-N282 VanDerWaalsContact O-CA 3.29Å; V57-N282 WeakPolarHBondContact O-CA 3.42Å
58Q97.6Very high97.2Very high45 Ų4533.8 Ų33.821%0.2118%0.182CC..SBendtrans-79.658.7171.8-69.781.813.700110.3V60 G61 H62 N282 P415Q58-V60 PolarHBondContact O-N 3.3Å; Q58-G61 WeakPolarHBondContact O-CA 3.45Å; Q58-G61 PolarHBondContact O-N 3.35Å; Q58-H62 VanDerWaalsContact CD-CE1 3.48Å; Q58-H62 WeakPolarHBondContact CG-CE1 3.35Å; Q58-H62 VanDerWaalsContact CG-ND1 3.32Å; Q58-H62 WeakPolarHBondContact CG-ND1 3.36Å; Q58-H62 PolarHBondContact OE1-CE1 2.83Å; Q58-N282 VanDerWaalsContact CA-OD1 3.25Å; Q58-N282 WeakPolarHBondContact CA-OD1 3.4Å; Q58-P415 VanDerWaalsContact O-CB 3.28Å; Q58-P415 WeakPolarHBondContact O-CB 3.32Å; Q58-P415 WeakPolarHBondContact O-CG 3.42Å
59H98.3Very high97.3Very high1 Ų137.5 Ų37.51%0.00520%0.198CC..THydrogen-bonded Turntrans-54.5-45.3-171.8-16884.5000113.6V57 G61 F252 R254 P279 N282 M416V57-H59 PolarHBondContact O-N 3.25Å; H59-G61 VanDerWaalsContact C-N 3.28Å; H59-F252 PolarHBondContact CE1-O 2.89Å; H59-F252 PolarHBondContact NE2-O 2.96Å; H59-R254 PolarHBondContact ND1-NH2 3.02Å; H59-P279 HydrophobicContact CB-CB 3.45Å; H59-P279 VanDerWaalsContact CB-CB 3.45Å; H59-P279 VanDerWaalsContact CG-CB 3.41Å; H59-P279 VanDerWaalsContact ND1-CB 3.3Å; H59-P279 WeakPolarHBondContact ND1-CB 3.29Å; H59-N282 PolarHBondContact N-OD1 2.81Å; H59-M416 WeakPolarHBondContact CE1-CG 3.4Å; H59-M416 WeakPolarHBondContact NE2-CG 3.47Å; H59-M416 WeakPolarHBondContact O-CB 3.33Å; H59-M416 VanDerWaalsContact O-CG 3.31Å; H59-M416 WeakPolarHBondContact O-CG 3.29Å; H59-M416 PolarHBondContact O-N 3.32Å
60V98.4Very high97.4Very high2 Ų231.9 Ų31.91%0.01218%0.182CC..THydrogen-bonded Turntrans-94.617.3177.9-53.70000112.4Q58 H64 I67 N282 V323 V326 I327 L332Q58-V60 PolarHBondContact O-N 3.3Å; V60-H64 HydrophobicContact CG2-CB 3.95Å; V60-H64 PolarHBondContact O-CD2 2.87Å; V60-H64 VanDerWaalsContact O-CD2 3.27Å; V60-I67 HydrophobicContact CG2-CD1 4.19Å; V60-I67 HydrophobicContact CG2-CG1 3.89Å; V60-N282 HydrophobicContact CG2-CB 4.1Å; V60-N282 VanDerWaalsContact CG2-CG 3.41Å; V60-N282 WeakPolarHBondContact CG2-ND2 3.46Å; V60-N282 WeakPolarHBondContact CG2-OD1 3.27Å; V60-N282 PolarHBondContact N-OD1 3.1Å; V60-V323 HydrophobicContact CG1-CG1 4.14Å; V60-V326 HydrophobicContact CB-CB 4.3Å; V60-V326 HydrophobicContact CB-CG1 3.67Å; V60-V326 HydrophobicContact CG1-CB 4.13Å; V60-V326 HydrophobicContact CG1-CG1 3.89Å; V60-V326 HydrophobicContact CG2-CG1 4.22Å; V60-I327 HydrophobicContact CG1-CG1 4Å; V60-L332 HydrophobicContact CB-CD1 4.03Å; V60-L332 HydrophobicContact CG1-CD1 3.68Å
61G98.3Very high97.3Very high0 Ų032 Ų320%019%0.187CC..  trans92.1151.1-176.200000113.6G39 Q58 H59 N282G39-G61 CarbonylContact O-C 3.37Å; G39-G61 WeakPolarHBondContact O-CA 3.04Å; Q58-G61 WeakPolarHBondContact O-CA 3.45Å; Q58-G61 PolarHBondContact O-N 3.35Å; H59-G61 VanDerWaalsContact C-N 3.28Å; G61-N282 PolarHBondContact O-ND2 3.05Å
62H98.4Very high97.3Very high13 Ų1335.5 Ų35.56%0.0621%0.209CC..BIsolated β-bridgetrans-59.4137.2175.2-69.9-75.5000111.3A37 R38 G39 M42 D52 Q58 H64A37-H62 HydrophobicContact CB-CB 3.42Å; A37-H62 VanDerWaalsContact CB-CB 3.42Å; R38-H62 CarbonylContact C-O 3.6Å; R38-H62 WeakPolarHBondContact CA-O 3.26Å; G39-H62 PolarHBondContact N-O 3.15Å; G39-H62 WeakPolarHBondContact O-CB 3.4Å; G39-H62 PolarHBondContact O-CD2 2.94Å; G39-H62 PolarHBondContact O-N 2.98Å; M42-H62 WeakPolarHBondContact CE-CE1 3.25Å; M42-H62 VanDerWaalsContact CE-NE2 3.33Å; M42-H62 WeakPolarHBondContact CE-NE2 3.41Å; D52-H62 IonicContact OD2-CD2 2.79Å; D52-H62 IonicContact OD2-CE1 3.65Å; D52-H62 IonicContact OD2-NE2 2.85Å; D52-H62 PolarHBondContact OD2-NE2 3.41Å; Q58-H62 VanDerWaalsContact CD-CE1 3.48Å; Q58-H62 WeakPolarHBondContact CG-CE1 3.35Å; Q58-H62 VanDerWaalsContact CG-ND1 3.32Å; Q58-H62 WeakPolarHBondContact CG-ND1 3.36Å; Q58-H62 PolarHBondContact OE1-CE1 2.83Å; H62-H64 PolarHBondContact O-N 2.75Å; H62-H64 VanDerWaalsContact O-N 3.15Å
63C97.2Very high97.3Very high83 Ų8338.1 Ų38.156%0.56123%0.23SC*.THydrogen-bonded Turntrans50.338.9174.2-59.90000114.2A37A37-C63 WeakPolarHBondContact O-CB 3.42Å; A37-C63 PolarHBondContact O-SG 3.34Å
64H98.5Very high97.3Very high26 Ų2639.1 Ų39.112%0.1224%0.235CC..  trans-59.8124.6-179.1-169.1-80.7000111.6V60 H62 A66 I67 T68 V326 E330V60-H64 HydrophobicContact CG2-CB 3.95Å; V60-H64 PolarHBondContact O-CD2 2.87Å; V60-H64 VanDerWaalsContact O-CD2 3.27Å; H62-H64 PolarHBondContact O-N 2.75Å; H62-H64 VanDerWaalsContact O-N 3.15Å; H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 WeakPolarHBondContact ND1-CB 3.46Å; H64-A66 PolarHBondContact ND1-N 2.8Å; H64-A66 PolarHBondContact O-N 3.18Å; H64-I67 HydrophobicContact CB-CB 4.42Å; H64-I67 HydrophobicContact CB-CG1 3.87Å; H64-I67 WeakPolarHBondContact O-CB 3.23Å; H64-I67 PolarHBondContact O-N 3.43Å; H64-T68 PolarHBondContact O-N 3Å; H64-V326 WeakPolarHBondContact CE1-CG2 3.47Å; H64-E330 IonicContact CE1-OE1 3.92Å; H64-E330 IonicContact NE2-OE1 3.84Å; H64-E330 PolarHBondContact NE2-OE1 3.09Å; H64-E330 IonicContact NE2-OE2 2.91Å
65P98.3Very high97.6Very high74 Ų7443.3 Ų43.348%0.48126%0.255SS..Hα-helixtrans-59.4-33.8-171.8-26.534.4000114.9I67 T68 K69P65-I67 VanDerWaalsContact C-N 3.29Å; P65-I67 PolarHBondContact O-N 3.45Å; P65-T68 PolarHBondContact O-OG1 3.28Å; P65-T68 VanDerWaalsContact O-OG1 3.08Å; P65-K69 WeakPolarHBondContact O-CB 3.24Å; P65-K69 PolarHBondContact O-N 2.66Å
66A98.6Very high97.9Very high38 Ų3848.7 Ų48.731%0.31428%0.283SS..Hα-helixtrans-65.6-35177.200000112H64 A70 V326H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 WeakPolarHBondContact ND1-CB 3.46Å; H64-A66 PolarHBondContact ND1-N 2.8Å; H64-A66 PolarHBondContact O-N 3.18Å; A66-A70 WeakPolarHBondContact O-CB 3.25Å; A66-A70 PolarHBondContact O-N 3.35Å; A66-V326 HydrophobicContact CB-CG2 3.74Å
67I98.5Very high98.2Very high15 Ų1555 Ų558%0.07732%0.315CS..Hα-helixtrans-72.7-47.9-179.2-55.6-54.1000110.2V60 H64 P65 K69 A70 A71 N282 I319 A322 V323V60-I67 HydrophobicContact CG2-CD1 4.19Å; V60-I67 HydrophobicContact CG2-CG1 3.89Å; H64-I67 HydrophobicContact CB-CB 4.42Å; H64-I67 HydrophobicContact CB-CG1 3.87Å; H64-I67 WeakPolarHBondContact O-CB 3.23Å; H64-I67 PolarHBondContact O-N 3.43Å; P65-I67 VanDerWaalsContact C-N 3.29Å; P65-I67 PolarHBondContact O-N 3.45Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.82Å; I67-A70 PolarHBondContact O-N 3.18Å; I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 3.47Å; I67-N282 HydrophobicContact CG1-CB 4.45Å; I67-I319 HydrophobicContact CG2-CG1 4.5Å; I67-I319 HydrophobicContact CG2-CG2 3.98Å; I67-A322 HydrophobicContact CD1-CB 3.67Å; I67-V323 HydrophobicContact CD1-CB 4.35Å; I67-V323 HydrophobicContact CD1-CG2 3.58Å
68T97.6Very high98.2Very high71 Ų7156.8 Ų56.844%0.43632%0.323SS..Hα-helixtrans-62.6-42.1178.555.70000111.2H64 P65 A71 T72H64-T68 PolarHBondContact O-N 3Å; P65-T68 PolarHBondContact O-OG1 3.28Å; P65-T68 VanDerWaalsContact O-OG1 3.08Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-T72 WeakPolarHBondContact O-CB 3.13Å; T68-T72 PolarHBondContact O-N 3.13Å; T68-T72 PolarHBondContact O-OG1 3.33Å; T68-T72 VanDerWaalsContact O-OG1 3.12Å
69K98.6Very high98.2Very high160 Ų16058.5 Ų58.570%0.69633%0.334SS*.Hα-helixtrans-59.9-47.7175.4-177.5178.2177.4-177.80112.2P65 I67 A73P65-K69 WeakPolarHBondContact O-CB 3.24Å; P65-K69 PolarHBondContact O-N 2.66Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.82Å; K69-A73 WeakPolarHBondContact O-CB 3.44Å; K69-A73 PolarHBondContact O-N 2.83Å
70A98.7Very high98.1Very high25 Ų2559.7 Ų59.721%0.20734%0.344CS..Hα-helixtrans-63.8-43.2179.400000112.1A66 I67 Q74 A322A66-A70 WeakPolarHBondContact O-CB 3.25Å; A66-A70 PolarHBondContact O-N 3.35Å; I67-A70 PolarHBondContact O-N 3.18Å; A70-Q74 WeakPolarHBondContact O-CB 3.47Å; A70-Q74 PolarHBondContact O-N 3.23Å; A70-Q74 VanDerWaalsContact O-N 3.11Å; A70-A322 HydrophobicContact CB-CB 3.64Å
71A98.4Very high98Very high19 Ų1961.8 Ų61.816%0.15736%0.355CS..Hα-helixtrans-60.7-52.8177.600000111.9I67 T68 Q74 M75 I319I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 3.47Å; T68-A71 PolarHBondContact O-N 3.01Å; A71-Q74 PolarHBondContact O-N 2.81Å; A71-M75 VanDerWaalsContact O-CB 3.24Å; A71-M75 WeakPolarHBondContact O-CB 3.2Å; A71-M75 PolarHBondContact O-N 3.18Å; A71-I319 HydrophobicContact CB-CD1 3.73Å; A71-I319 HydrophobicContact CB-CG1 3.74Å
72T98.4Very high97.8Very high80 Ų8064.2 Ų64.249%0.49137%0.372SS..Hα-helixtrans-63.4-48.1-178.8-60.70000111.3T68 Q74 M75 D76T68-T72 WeakPolarHBondContact O-CB 3.13Å; T68-T72 PolarHBondContact O-N 3.13Å; T68-T72 PolarHBondContact O-OG1 3.33Å; T68-T72 VanDerWaalsContact O-OG1 3.12Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.31Å; T72-M75 PolarHBondContact O-N 3.44Å; T72-M75 VanDerWaalsContact O-N 3.12Å; T72-D76 PolarHBondContact O-N 2.87Å
73A98.6Very high97.6Very high54 Ų5470.1 Ų70.145%0.44639%0.394SS..Hα-helixtrans-59.4-41.9-178.900000112.3K69 L77K69-A73 WeakPolarHBondContact O-CB 3.44Å; K69-A73 PolarHBondContact O-N 2.83Å; A73-L77 WeakPolarHBondContact O-CG 3.21Å
74Q98.7Very high97.6Very high22 Ų2273.1 Ų73.110%0.10340%0.397CS..Hα-helixtrans-72.1-35.6177.2-175.660.760.800112.2A70 A71 T72 D76 L77 L78 H86 N88 P314 V315 A318A70-Q74 WeakPolarHBondContact O-CB 3.47Å; A70-Q74 PolarHBondContact O-N 3.23Å; A70-Q74 VanDerWaalsContact O-N 3.11Å; A71-Q74 PolarHBondContact O-N 2.81Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.31Å; Q74-D76 VanDerWaalsContact C-N 3.34Å; Q74-L77 PolarHBondContact O-N 3.45Å; Q74-L77 VanDerWaalsContact O-N 3.16Å; Q74-L78 PolarHBondContact NE2-O 3.2Å; Q74-L78 VanDerWaalsContact NE2-O 3.15Å; Q74-L78 PolarHBondContact O-N 2.98Å; Q74-H86 PolarHBondContact NE2-NE2 3.26Å; Q74-N88 PolarHBondContact OE1-ND2 2.85Å; Q74-P314 HydrophobicContact CG-CB 3.93Å; Q74-V315 HydrophobicContact CB-CG2 4.14Å; Q74-V315 HydrophobicContact CG-CB 4.39Å; Q74-V315 HydrophobicContact CG-CG2 3.81Å; Q74-A318 HydrophobicContact CB-CB 3.84Å; Q74-A318 HydrophobicContact CG-CB 3.99Å
75M98.2Very high97.6Very high111 Ų11180.5 Ų80.555%0.54744%0.437SS..Hα-helixtrans-67.6-34.2179.7-169.5166.6-61.800112.7A71 T72 L77 V315A71-M75 VanDerWaalsContact O-CB 3.24Å; A71-M75 WeakPolarHBondContact O-CB 3.2Å; A71-M75 PolarHBondContact O-N 3.18Å; T72-M75 PolarHBondContact O-N 3.44Å; T72-M75 VanDerWaalsContact O-N 3.12Å; M75-L77 PolarHBondContact O-N 3.03Å; M75-V315 HydrophobicContact CB-CG2 4.03Å; M75-V315 HydrophobicContact CE-CG1 3.93Å; M75-V315 HydrophobicContact CE-CG2 4.29Å
76D98.1Very high97.6Very high132 Ų13279.3 Ų79.371%0.70643%0.425SS*.THydrogen-bonded Turntrans-66.8-19.6173.8-70.7-19.4000112.6T72 Q74T72-D76 PolarHBondContact O-N 2.87Å; Q74-D76 VanDerWaalsContact C-N 3.34Å
77L97.9Very high97.6Very high140 Ų14083.1 Ų83.173%0.73344%0.44SS*.THydrogen-bonded Turntrans-96.8-60.4179.3-63.6174.8000112.3A73 Q74 M75A73-L77 WeakPolarHBondContact O-CG 3.21Å; Q74-L77 PolarHBondContact O-N 3.45Å; Q74-L77 VanDerWaalsContact O-N 3.16Å; M75-L77 PolarHBondContact O-N 3.03Å
78L97.2Very high97.6Very high82 Ų8283.5 Ų83.543%0.42944%0.442SS..  trans-167.7141.5-173.8-177.764.4000112Q74 A80Q74-L78 PolarHBondContact NE2-O 3.2Å; Q74-L78 VanDerWaalsContact NE2-O 3.15Å; Q74-L78 PolarHBondContact O-N 2.98Å; L78-A80 HydrophobicContact CD1-CB 3.98Å; L78-A80 HydrophobicContact CD2-CB 4.38Å; L78-A80 HydrophobicContact CG-CB 4.19Å
79N97.1Very high97.6Very high80 Ų8082 Ų8243%0.42843%0.431SS..  trans-141.368.9167.2-165.729.5000111.8T313 V315N79-T313 WeakPolarHBondContact OD1-CB 3.41Å; N79-T313 PolarHBondContact OD1-OG1 3.13Å; N79-V315 HydrophobicContact CB-CG2 3.64Å; N79-V315 VanDerWaalsContact CG-CG2 3.41Å; N79-V315 WeakPolarHBondContact OD1-CB 3.13Å; N79-V315 WeakPolarHBondContact OD1-CG2 3.33Å; N79-V315 PolarHBondContact OD1-N 2.93Å
80A96.2Very high97.6Very high26 Ų2678.9 Ų78.922%0.21543%0.425CS..  trans-90.4173.4177.900000112.8L78 F84 T313 P314L78-A80 HydrophobicContact CD1-CB 3.98Å; L78-A80 HydrophobicContact CD2-CB 4.38Å; L78-A80 HydrophobicContact CG-CB 4.19Å; A80-F84 HydrophobicContact CB-CD2 4.2Å; A80-T313 WeakPolarHBondContact O-CB 3.25Å; A80-P314 WeakPolarHBondContact O-CD 3.46Å
81N96.3Very high97.6Very high47 Ų4781.9 Ų81.925%0.25144%0.437SS..  trans-74.3167169.76863.1000111.9R83 F307 T309N81-R83 VanDerWaalsContact C-N 3.26Å; N81-R83 PolarHBondContact O-N 3.08Å; N81-R83 VanDerWaalsContact OD1-CB 3.3Å; N81-R83 WeakPolarHBondContact OD1-CB 3.33Å; N81-R83 PolarHBondContact OD1-N 3.44Å; N81-F307 HydrophobicContact CB-CE2 4.3Å; N81-F307 HydrophobicContact CB-CZ 3.98Å; N81-T309 VanDerWaalsContact CB-O 3.27Å; N81-T309 WeakPolarHBondContact CB-O 3.11Å
82S93.9Very high97.6Very high51 Ų5181 Ų8136%0.35743%0.43SS..THydrogen-bonded Turntrans-78.18.9-173.948.70000115.8G311S82-G311 WeakPolarHBondContact CB-O 3.32Å; S82-G311 PolarHBondContact OG-O 3.29Å; S82-G311 VanDerWaalsContact OG-O 3.05Å
83R95.8Very high97.7Very high137 Ų13778 Ų7852%0.51741%0.413SS..THydrogen-bonded Turntrans-80.7-18.7171.7-67.9177.4168.8153.6-5.7113N81 E305 F307N81-R83 VanDerWaalsContact C-N 3.26Å; N81-R83 PolarHBondContact O-N 3.08Å; N81-R83 VanDerWaalsContact OD1-CB 3.3Å; N81-R83 WeakPolarHBondContact OD1-CB 3.33Å; N81-R83 PolarHBondContact OD1-N 3.44Å; R83-E305 IonicContact CZ-OE1 2.89Å; R83-E305 IonicContact NE-OE1 3.08Å; R83-E305 PolarHBondContact NE-OE1 3.02Å; R83-E305 VanDerWaalsContact NH2-CD 3.28Å; R83-E305 IonicContact NH2-OE1 2.98Å; R83-E305 PolarHBondContact NH2-OE1 2.76Å; R83-E305 IonicContact NH2-OE2 2.7Å; R83-E305 PolarHBondContact NH2-OE2 2.96Å; R83-F307 HydrophobicContact CG-CD2 4.03Å; R83-F307 HydrophobicContact CG-CE2 3.65Å; R83-F307 HydrophobicContact CG-CZ 4.35Å
84F96.7Very high97.7Very high145 Ų14580.8 Ų80.864%0.63642%0.42SS*.SBendtrans-91.3141.5169.3-60.3-77.1000109.5A80 H86A80-F84 HydrophobicContact CB-CD2 4.2Å; F84-H86 PolarHBondContact O-N 3.31Å
85L97.8Very high97.7Very high182 Ų18282.3 Ų82.395%0.95343%0.425SS*.  trans-63.7135.2175.7-65.5177.7000110.5
86H98.3Very high97.7Very high49 Ų4977 Ų7723%0.22740%0.399CS..  trans-156.1134.1174.7-167.1-74.3000110.4Q74 F84 N88 I89 P314Q74-H86 PolarHBondContact NE2-NE2 3.26Å; F84-H86 PolarHBondContact O-N 3.31Å; H86-N88 PolarHBondContact CE1-ND2 2.79Å; H86-N88 PolarHBondContact ND1-N 2.98Å; H86-N88 PolarHBondContact O-N 3.21Å; H86-I89 WeakPolarHBondContact O-CG2 3.12Å; H86-P314 HydrophobicContact CB-CG 4.35Å
87D98.2Very high97.7Very high117 Ų11772.1 Ų72.163%0.62638%0.377SS*.Hα-helixtrans-66.3-35.9-170.9-62.9-16.9000113.5I89 V90 L91D87-I89 PolarHBondContact O-N 3Å; D87-I89 VanDerWaalsContact O-N 3.09Å; D87-V90 WeakPolarHBondContact O-CG2 3.5Å; D87-V90 PolarHBondContact O-N 3.38Å; D87-V90 VanDerWaalsContact O-N 3.09Å; D87-L91 HydrophobicContact CB-CD1 4.05Å; D87-L91 HydrophobicContact CB-CG 4.46Å; D87-L91 WeakPolarHBondContact O-CB 3.24Å; D87-L91 WeakPolarHBondContact O-CG 3.44Å; D87-L91 PolarHBondContact O-N 2.79Å
88N98.5Very high97.7Very high23 Ų2369.7 Ų69.712%0.12338%0.377CS..Hα-helixtrans-53-36.4-177.7-66.20.2000114.2Q74 H86 Y92 P314 C317 L321Q74-N88 PolarHBondContact OE1-ND2 2.85Å; H86-N88 PolarHBondContact CE1-ND2 2.79Å; H86-N88 PolarHBondContact ND1-N 2.98Å; H86-N88 PolarHBondContact O-N 3.21Å; N88-Y92 WeakPolarHBondContact O-CB 3.41Å; N88-Y92 PolarHBondContact O-N 3.07Å; N88-P314 PolarHBondContact ND2-O 2.97Å; N88-P314 VanDerWaalsContact ND2-O 3.09Å; N88-C317 HydrophobicContact CB-CB 3.65Å; N88-L321 HydrophobicContact CB-CD1 4.45Å
89I98.6Very high97.8Very high41 Ų4167 Ų6721%0.2136%0.364CS..Hα-helixtrans-69.1-39-177.8-162176000111.4H86 D87 A93 F109H86-I89 WeakPolarHBondContact O-CG2 3.12Å; D87-I89 PolarHBondContact O-N 3Å; D87-I89 VanDerWaalsContact O-N 3.09Å; I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 3.19Å; I89-F109 HydrophobicContact CD1-CD2 3.82Å; I89-F109 HydrophobicContact CD1-CE2 4.21Å; I89-F109 HydrophobicContact CG1-CD2 3.62Å; I89-F109 HydrophobicContact CG1-CE2 3.52Å; I89-F109 HydrophobicContact CG1-CZ 4.39Å
90V98.5Very high97.8Very high93 Ų9363.8 Ų63.856%0.56435%0.347SS*.Hα-helixtrans-78.9-38.7179.2-63.70000111.4D87 Y92 A93 D94D87-V90 WeakPolarHBondContact O-CG2 3.5Å; D87-V90 PolarHBondContact O-N 3.38Å; D87-V90 VanDerWaalsContact O-N 3.09Å; V90-Y92 VanDerWaalsContact C-N 3.3Å; V90-Y92 PolarHBondContact O-N 2.9Å; V90-A93 PolarHBondContact O-N 3.02Å; V90-D94 WeakPolarHBondContact O-CB 3.48Å; V90-D94 PolarHBondContact O-N 2.81Å
91L98.8Very high97.9Very high89 Ų8964.2 Ų64.247%0.46635%0.347SS..Hα-helixtrans-61-41.7173.4-71.1173.2000111.1D87 D94 R95 L321D87-L91 HydrophobicContact CB-CD1 4.05Å; D87-L91 HydrophobicContact CB-CG 4.46Å; D87-L91 WeakPolarHBondContact O-CB 3.24Å; D87-L91 WeakPolarHBondContact O-CG 3.44Å; D87-L91 PolarHBondContact O-N 2.79Å; L91-D94 PolarHBondContact O-N 3.16Å; L91-R95 WeakPolarHBondContact O-CB 3.37Å; L91-R95 WeakPolarHBondContact O-CG 3.29Å; L91-R95 PolarHBondContact O-N 2.74Å; L91-L321 HydrophobicContact CB-CD1 4.28Å; L91-L321 HydrophobicContact CB-CD2 4.5Å
92Y98.8Very high97.9Very high0 Ų071.8 Ų71.80%038%0.378CS..Hα-helixtrans-70.5-42.2179-173-143.3000112.3N88 V90 D94 R95 L96 F109 M280 L286 C317 G320 L321 L324N88-Y92 WeakPolarHBondContact O-CB 3.41Å; N88-Y92 PolarHBondContact O-N 3.07Å; V90-Y92 VanDerWaalsContact C-N 3.3Å; V90-Y92 PolarHBondContact O-N 2.9Å; Y92-D94 VanDerWaalsContact C-N 3.33Å; Y92-D94 PolarHBondContact O-N 2.89Å; Y92-R95 PolarHBondContact O-N 3.2Å; Y92-L96 HydrophobicContact CD1-CD1 4.22Å; Y92-L96 HydrophobicContact CD2-CD1 4.26Å; Y92-L96 HydrophobicContact CD2-CG 4.14Å; Y92-L96 HydrophobicContact CE1-CD1 3.99Å; Y92-L96 HydrophobicContact CE2-CD1 4Å; Y92-L96 HydrophobicContact CE2-CD2 4.04Å; Y92-L96 HydrophobicContact CE2-CG 3.87Å; Y92-L96 HydrophobicContact CG-CD1 4.36Å; Y92-L96 VanDerWaalsContact O-CG 3.32Å; Y92-L96 WeakPolarHBondContact O-CG 3.45Å; Y92-L96 PolarHBondContact O-N 3.2Å; Y92-F109 HydrophobicContact CD1-CD1 4.48Å; Y92-F109 AromaticContact CD1-CE1 3.49Å; Y92-F109 HydrophobicContact CD1-CE1 3.49Å; Y92-F109 VanDerWaalsContact CD1-CE1 3.49Å; Y92-F109 AromaticContact CD1-CZ 3.88Å; Y92-F109 HydrophobicContact CD1-CZ 3.88Å; Y92-F109 AromaticContact CE1-CE1 3.74Å; Y92-F109 HydrophobicContact CE1-CE1 3.74Å; Y92-M280 HydrophobicContact CD1-CE 4.39Å; Y92-M280 HydrophobicContact CE1-CE 3.28Å; Y92-M280 VanDerWaalsContact OH-CE 3.22Å; Y92-M280 WeakPolarHBondContact OH-CE 3.4Å; Y92-M280 WeakPolarHBondContact OH-CG 3.32Å; Y92-L286 HydrophobicContact CE1-CD1 4.46Å; Y92-L286 HydrophobicContact CE1-CD2 3.88Å; Y92-C317 HydrophobicContact CD1-CB 4.24Å; Y92-G320 VanDerWaalsContact CE2-C 3.42Å; Y92-G320 WeakPolarHBondContact OH-CA 3.49Å; Y92-L321 HydrophobicContact CD2-CD2 4.08Å; Y92-L321 HydrophobicContact CD2-CG 4.06Å; Y92-L321 HydrophobicContact CG-CG 4.29Å; Y92-L324 HydrophobicContact CD2-CD1 3.93Å; Y92-L324 HydrophobicContact CE2-CD1 3.68Å; Y92-L324 HydrophobicContact CE2-CG 4.07Å
93A98.8Very high98.1Very high16 Ų1673 Ų7313%0.13238%0.376CS..Hα-helixtrans-58.7-43.9172.900000112.1I89 V90 L96 A97 F107 F109I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 3.19Å; V90-A93 PolarHBondContact O-N 3.02Å; A93-L96 PolarHBondContact O-N 3.03Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.86Å; A93-F107 HydrophobicContact CB-CB 4.37Å; A93-F107 HydrophobicContact CB-CD2 3.82Å; A93-F107 HydrophobicContact CB-CE2 4.37Å; A93-F107 HydrophobicContact CB-CG 4.1Å; A93-F109 HydrophobicContact CB-CE2 4.26Å; A93-F109 HydrophobicContact CB-CZ 4.17Å
94D98.8Very high98.2Very high113 Ų11366.5 Ų66.560%0.60435%0.352SS*.Hα-helixtrans-60.5-47.6176.8-177.567.1000111.9V90 L91 Y92 L96 A97 A98V90-D94 WeakPolarHBondContact O-CB 3.48Å; V90-D94 PolarHBondContact O-N 2.81Å; L91-D94 PolarHBondContact O-N 3.16Å; Y92-D94 VanDerWaalsContact C-N 3.33Å; Y92-D94 PolarHBondContact O-N 2.89Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.84Å; D94-A97 WeakPolarHBondContact O-CB 3.31Å; D94-A97 PolarHBondContact O-N 3.18Å; D94-A98 PolarHBondContact O-N 2.71Å
95R98.8Very high98.3Very high55 Ų5562.2 Ų62.221%0.20834%0.34CS..Hα-helixtrans-62.4-36.6175.9-75.3-139.258.9-168.1-7.4113.4L91 Y92 L321 L324 D325 E328L91-R95 WeakPolarHBondContact O-CB 3.37Å; L91-R95 WeakPolarHBondContact O-CG 3.29Å; L91-R95 PolarHBondContact O-N 2.74Å; Y92-R95 PolarHBondContact O-N 3.2Å; R95-L321 HydrophobicContact CB-CD2 4.34Å; R95-L321 HydrophobicContact CG-CD2 4.02Å; R95-L324 HydrophobicContact CB-CD1 3.6Å; R95-D325 IonicContact NH1-OD1 2.7Å; R95-D325 PolarHBondContact NH1-OD1 3.48Å; R95-E328 IonicContact CZ-OE1 2.92Å; R95-E328 IonicContact CZ-OE2 2.79Å; R95-E328 IonicContact NH1-OE2 3.49Å; R95-E328 PolarHBondContact NH1-OE2 2.91Å; R95-E328 IonicContact NH2-OE1 2.93Å; R95-E328 PolarHBondContact NH2-OE1 3.25Å; R95-E328 IonicContact NH2-OE2 3.36Å; R95-E328 PolarHBondContact NH2-OE2 2.7Å
96L98.7Very high98.3Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-68.3-44.2173.4-71.6170.2000111.2Y92 A93 D94 A98 T99 L100 F107 F109 F252 W260 M276 M280 L324Y92-L96 HydrophobicContact CD1-CD1 4.22Å; Y92-L96 HydrophobicContact CD2-CD1 4.26Å; Y92-L96 HydrophobicContact CD2-CG 4.14Å; Y92-L96 HydrophobicContact CE1-CD1 3.99Å; Y92-L96 HydrophobicContact CE2-CD1 4Å; Y92-L96 HydrophobicContact CE2-CD2 4.04Å; Y92-L96 HydrophobicContact CE2-CG 3.87Å; Y92-L96 HydrophobicContact CG-CD1 4.36Å; Y92-L96 VanDerWaalsContact O-CG 3.32Å; Y92-L96 WeakPolarHBondContact O-CG 3.45Å; Y92-L96 PolarHBondContact O-N 3.2Å; A93-L96 PolarHBondContact O-N 3.03Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.84Å; L96-A98 PolarHBondContact O-N 3.45Å; L96-T99 PolarHBondContact O-N 2.83Å; L96-T99 PolarHBondContact O-OG1 2.9Å; L96-L100 PolarHBondContact O-N 2.62Å; L96-F107 HydrophobicContact CB-CD1 4.5Å; L96-F107 HydrophobicContact CB-CE1 3.79Å; L96-F107 HydrophobicContact CB-CZ 4.23Å; L96-F107 HydrophobicContact CD1-CD1 4.48Å; L96-F109 HydrophobicContact CD1-CE1 4.16Å; L96-F109 HydrophobicContact CD1-CZ 4.4Å; L96-F252 HydrophobicContact CD2-CE1 4.21Å; L96-F252 HydrophobicContact CD2-CZ 4.1Å; L96-W260 HydrophobicContact CD2-CZ2 4.47Å; L96-M276 HydrophobicContact CD1-SD 4.33Å; L96-M276 HydrophobicContact CD2-SD 4.2Å; L96-M280 HydrophobicContact CD1-CE 3.93Å; L96-L324 HydrophobicContact CD2-CD1 4.46Å
97A98.6Very high98.3Very high29 Ų2954.7 Ų54.724%0.2430%0.303CS..Hα-helixtrans-57-3817800000112.2A93 D94 T99 L100 F107A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.86Å; D94-A97 WeakPolarHBondContact O-CB 3.31Å; D94-A97 PolarHBondContact O-N 3.18Å; A97-T99 PolarHBondContact O-N 3.34Å; A97-T99 VanDerWaalsContact O-N 3.12Å; A97-L100 PolarHBondContact O-N 2.78Å; A97-L100 VanDerWaalsContact O-N 3.08Å; A97-F107 HydrophobicContact CB-CE2 3.85Å; A97-F107 HydrophobicContact CB-CZ 3.7Å
98A98.3Very high98.4Very high88 Ų8850.8 Ų50.873%0.72728%0.279SS*.THydrogen-bonded Turntrans-61.5-18.617600000114.2D94 L96D94-A98 PolarHBondContact O-N 2.71Å; L96-A98 PolarHBondContact O-N 3.45Å
99T98Very high98.4Very high25 Ų2550.5 Ų50.515%0.15328%0.277CS..THydrogen-bonded Turntrans-97.9-8.4177.871.80000113.5L96 A97 F259 W260L96-T99 PolarHBondContact O-N 2.83Å; L96-T99 PolarHBondContact O-OG1 2.9Å; A97-T99 PolarHBondContact O-N 3.34Å; A97-T99 VanDerWaalsContact O-N 3.12Å; T99-F259 HydrophobicContact CG2-CD1 4.07Å; T99-F259 HydrophobicContact CG2-CD2 3.91Å; T99-F259 HydrophobicContact CG2-CE1 4.08Å; T99-F259 HydrophobicContact CG2-CE2 3.95Å; T99-F259 HydrophobicContact CG2-CG 3.98Å; T99-F259 HydrophobicContact CG2-CZ 4.03Å; T99-W260 PolarHBondContact O-NE1 2.77Å; T99-W260 VanDerWaalsContact O-NE1 3.14Å; T99-W260 PolarHBondContact OG1-NE1 3.15Å
100L98.3Very high98.4Very high14 Ų1448.6 Ų48.67%0.07327%0.267CS..SBendtrans-106.7158-175.9-72.2163.8000111L96 A97 K102 L104 F107 W260 F262 V274 M276 A290L96-L100 PolarHBondContact O-N 2.62Å; A97-L100 PolarHBondContact O-N 2.78Å; A97-L100 VanDerWaalsContact O-N 3.08Å; L100-K102 PolarHBondContact O-N 3.03Å; L100-L104 HydrophobicContact CB-CB 4.28Å; L100-L104 HydrophobicContact CD1-CB 4.41Å; L100-L104 HydrophobicContact CD2-CD1 4.1Å; L100-F107 HydrophobicContact CD1-CE1 3.78Å; L100-F107 HydrophobicContact CD1-CZ 3.98Å; L100-W260 HydrophobicContact CD2-CD2 4.2Å; L100-W260 HydrophobicContact CD2-CG 4.16Å; L100-W260 HydrophobicContact CD2-CZ2 4.29Å; L100-W260 VanDerWaalsContact CD2-NE1 3.28Å; L100-W260 HydrophobicContact CG-CZ2 4.4Å; L100-F262 HydrophobicContact CD2-CE1 4.33Å; L100-F262 HydrophobicContact CD2-CZ 4.31Å; L100-V274 HydrophobicContact CD2-CG2 4.34Å; L100-M276 HydrophobicContact CD1-CE 4.39Å; L100-A290 HydrophobicContact CD1-CB 3.68Å
101P97.5Very high98.4Very high34 Ų3445.5 Ų45.522%0.22125%0.248CC..  trans-54.4137164-25.834.2000111.6K103 L104 F262 C270P101-K103 PolarHBondContact O-N 3.29Å; P101-L104 PolarHBondContact O-N 3.06Å; P101-F262 HydrophobicContact CG-CE2 4.03Å; P101-F262 HydrophobicContact CG-CZ 4.13Å; P101-C270 HydrophobicContact CB-CB 4.07Å; P101-C270 WeakPolarHBondContact CB-SG 3.46Å; P101-C270 HydrophobicContact CG-CB 4.1Å; P101-C270 VanDerWaalsContact CG-SG 3.58Å
102K96.9Very high98.4Very high207 Ų20743 Ų4390%0.924%0.237SC*.THydrogen-bonded Turntrans-51.1-28.5-171.4-67.3-176.4178.7178.90115.4L100 L104L100-K102 PolarHBondContact O-N 3.03Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.33Å
103K97.1Very high98.3Very high75 Ų7543.6 Ų43.633%0.32624%0.244SC..THydrogen-bonded Turntrans-67.5-27.1179.572.5-177.9-131.8-164.60112.9P101 S105 C270 P271 D272 T292P101-K103 PolarHBondContact O-N 3.29Å; K103-S105 PolarHBondContact O-N 2.82Å; K103-C270 HydrophobicContact CD-CB 3.93Å; K103-C270 WeakPolarHBondContact CD-SG 3.38Å; K103-C270 WeakPolarHBondContact CE-SG 3.44Å; K103-C270 WeakPolarHBondContact CG-SG 3.24Å; K103-C270 PolarHBondContact NZ-O 3.06Å; K103-P271 WeakPolarHBondContact CE-O 3.34Å; K103-P271 PolarHBondContact NZ-O 3.35Å; K103-D272 IonicContact NZ-OD1 2.97Å; K103-D272 PolarHBondContact NZ-OD1 2.79Å; K103-T292 HydrophobicContact CG-CG2 4.39Å; K103-T292 WeakPolarHBondContact O-CA 3.37Å
104L98.5Very high98.3Very high1 Ų143.4 Ų43.41%0.00524%0.241CC..  trans-87.787.9178-62.8172.2000109.1L100 P101 K102 P271 D272 V274 T292L100-L104 HydrophobicContact CB-CB 4.28Å; L100-L104 HydrophobicContact CD1-CB 4.41Å; L100-L104 HydrophobicContact CD2-CD1 4.1Å; P101-L104 PolarHBondContact O-N 3.06Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.33Å; L104-P271 HydrophobicContact CD1-CG 4.21Å; L104-D272 WeakPolarHBondContact CD2-O 3.21Å; L104-V274 HydrophobicContact CD1-CG2 3.54Å; L104-T292 HydrophobicContact CD2-CG2 4.29Å
105S97.9Very high98.3Very high55 Ų5540.9 Ų40.939%0.38523%0.226SC..  trans-130.7-0.6-16653.10000114.2K103 T291K103-S105 PolarHBondContact O-N 2.82Å; S105-T291 PolarHBondContact N-O 3.45Å
106V98.7Very high98.3Very high40 Ų4038.3 Ų38.324%0.24222%0.216CC..EExtended strand (participates in β ladder)trans-114.7131.4175.5-173.70000109.8Y108 A290 T291 V293 A296V106-Y108 HydrophobicContact CG1-CE2 4.13Å; V106-A290 CarbonylContact O-C 3.55Å; V106-A290 WeakPolarHBondContact O-CA 2.97Å; V106-T291 HydrophobicContact CB-CG2 4.24Å; V106-T291 PolarHBondContact N-O 3.32Å; V106-T291 PolarHBondContact O-N 2.94Å; V106-V293 HydrophobicContact CG2-CB 4.45Å; V106-V293 HydrophobicContact CG2-CG2 3.85Å; V106-A296 HydrophobicContact CB-CB 3.92Å; V106-A296 HydrophobicContact CG1-CB 3.61Å; V106-A296 HydrophobicContact CG2-CB 4.01Å
107F98.8Very high98.3Very high34 Ų3438.4 Ų38.415%0.14922%0.217CC..EExtended strand (participates in β ladder)trans-121.1134.2-171.1-61.7-92.5000111.4A93 L96 A97 L100 F109 V289 A290A93-F107 HydrophobicContact CB-CB 4.37Å; A93-F107 HydrophobicContact CB-CD2 3.82Å; A93-F107 HydrophobicContact CB-CE2 4.37Å; A93-F107 HydrophobicContact CB-CG 4.1Å; L96-F107 HydrophobicContact CB-CD1 4.5Å; L96-F107 HydrophobicContact CB-CE1 3.79Å; L96-F107 HydrophobicContact CB-CZ 4.23Å; L96-F107 HydrophobicContact CD1-CD1 4.48Å; A97-F107 HydrophobicContact CB-CE2 3.85Å; A97-F107 HydrophobicContact CB-CZ 3.7Å; L100-F107 HydrophobicContact CD1-CE1 3.78Å; L100-F107 HydrophobicContact CD1-CZ 3.98Å; F107-F109 HydrophobicContact CB-CE2 4.22Å; F107-V289 CarbonylContact C-O 3.51Å; F107-V289 WeakPolarHBondContact CA-O 3.37Å; F107-A290 HydrophobicContact CD1-CB 3.87Å; F107-A290 HydrophobicContact CE1-CB 3.65Å; F107-A290 HydrophobicContact CZ-CB 4.43Å
108Y98.7Very high98.3Very high34 Ų3439.6 Ų39.613%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-117118168.4-61.5-93.5000108.5V106 L119 L123 C288 V289 T291 A296 F299 Y306V106-Y108 HydrophobicContact CG1-CE2 4.13Å; Y108-L119 VanDerWaalsContact CB-CD2 3.43Å; Y108-L119 HydrophobicContact CD1-CD2 4.27Å; Y108-L119 HydrophobicContact CG-CD2 3.86Å; Y108-L123 HydrophobicContact CD2-CD1 4.15Å; Y108-L123 HydrophobicContact CE2-CD1 4.11Å; Y108-L123 HydrophobicContact CE2-CD2 4.2Å; Y108-C288 CarbonylContact O-C 3.54Å; Y108-C288 VanDerWaalsContact O-CA 3.24Å; Y108-C288 WeakPolarHBondContact O-CA 3.48Å; Y108-C288 PolarHBondContact O-SG 2.92Å; Y108-V289 PolarHBondContact N-O 3.32Å; Y108-V289 PolarHBondContact O-N 3.01Å; Y108-T291 HydrophobicContact CD2-CG2 4.38Å; Y108-T291 HydrophobicContact CE2-CG2 3.89Å; Y108-A296 HydrophobicContact CE2-CB 4.35Å; Y108-A296 WeakPolarHBondContact OH-CB 3.46Å; Y108-F299 HydrophobicContact CE1-CD1 4.15Å; Y108-F299 HydrophobicContact CE1-CE1 4.37Å; Y108-Y306 HydrophobicContact CD1-CD1 4.05Å; Y108-Y306 HydrophobicContact CD1-CE1 4.27Å
109F98.8Very high98.4Very high18 Ų1835.6 Ų35.68%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-89138178.7-68.1-81.6000111.6I89 Y92 A93 L96 F107 M280 L286 C288 G311 G312I89-F109 HydrophobicContact CD1-CD2 3.82Å; I89-F109 HydrophobicContact CD1-CE2 4.21Å; I89-F109 HydrophobicContact CG1-CD2 3.62Å; I89-F109 HydrophobicContact CG1-CE2 3.52Å; I89-F109 HydrophobicContact CG1-CZ 4.39Å; Y92-F109 HydrophobicContact CD1-CD1 4.48Å; Y92-F109 AromaticContact CD1-CE1 3.49Å; Y92-F109 HydrophobicContact CD1-CE1 3.49Å; Y92-F109 VanDerWaalsContact CD1-CE1 3.49Å; Y92-F109 AromaticContact CD1-CZ 3.88Å; Y92-F109 HydrophobicContact CD1-CZ 3.88Å; Y92-F109 AromaticContact CE1-CE1 3.74Å; Y92-F109 HydrophobicContact CE1-CE1 3.74Å; A93-F109 HydrophobicContact CB-CE2 4.26Å; A93-F109 HydrophobicContact CB-CZ 4.17Å; L96-F109 HydrophobicContact CD1-CE1 4.16Å; L96-F109 HydrophobicContact CD1-CZ 4.4Å; F107-F109 HydrophobicContact CB-CE2 4.22Å; F109-M280 HydrophobicContact CD1-CE 4.15Å; F109-M280 HydrophobicContact CE1-CE 3.92Å; F109-L286 HydrophobicContact CD1-CD1 4.27Å; F109-C288 HydrophobicContact CD1-CB 3.97Å; F109-C288 HydrophobicContact CE1-CB 4.21Å; F109-G311 VanDerWaalsContact O-CA 3.25Å; F109-G311 WeakPolarHBondContact O-CA 2.95Å; F109-G312 VanDerWaalsContact CB-N 3.32Å
110V98.7Very high98.4Very high0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-143.9-177-178.8-61.10000109.5E115 A116 L119 A287 Y306V110-E115 HydrophobicContact CB-CB 3.74Å; V110-E115 HydrophobicContact CG1-CB 4.29Å; V110-E115 HydrophobicContact CG2-CB 3.88Å; V110-A116 HydrophobicContact CG2-CB 3.75Å; V110-L119 HydrophobicContact CG1-CD2 4.24Å; V110-A287 CarbonylContact C-O 3.48Å; V110-A287 HydrophobicContact CG2-CB 3.65Å; V110-A287 PolarHBondContact N-O 3.46Å; V110-A287 CarbonylContact O-C 3.47Å; V110-A287 PolarHBondContact O-N 3.36Å; V110-Y306 WeakPolarHBondContact CG1-OH 3.45Å
111N98.3Very high98.4Very high29 Ų2934 Ų3416%0.15518%0.176CC..SBendtrans-108.2-13.6-167.2-49-68.7000113.8E115 P285 L286 N308 F310N111-E115 WeakPolarHBondContact CB-OE2 3.06Å; N111-E115 PolarHBondContact N-OE2 2.93Å; N111-E115 PolarHBondContact ND2-OE2 3.26Å; N111-P285 HydrophobicContact CB-CB 4.45Å; N111-P285 CarbonylContact O-C 3.44Å; N111-L286 PolarHBondContact O-N 3.28Å; N111-N308 PolarHBondContact ND2-ND2 2.9Å; N111-N308 PolarHBondContact ND2-OD1 3.15Å; N111-F310 VanDerWaalsContact OD1-C 3.24Å; N111-F310 WeakPolarHBondContact OD1-CB 3.47Å; N111-F310 PolarHBondContact OD1-O 3.44Å
112S98.6Very high98.5Very high36 Ų3637 Ų3725%0.25218%0.183SC..SBendtrans-150.1160179.372.30000112.3S114 E115 A116 A287S112-S114 PolarHBondContact O-N 3.24Å; S112-S114 PolarHBondContact OG-N 3.05Å; S112-E115 PolarHBondContact O-N 2.95Å; S112-E115 VanDerWaalsContact O-N 3.11Å; S112-E115 PolarHBondContact OG-N 3.03Å; S112-E115 VanDerWaalsContact OG-N 3.11Å; S112-A116 PolarHBondContact O-N 3.07Å; S112-A287 WeakPolarHBondContact O-CB 3.43Å
113G98.4Very high98.5Very high13 Ų1327.2 Ų27.213%0.13414%0.14CC..Hα-helixtrans-58.7-32171.800000112.6A116 N117G113-A116 PolarHBondContact O-N 3.25Å; G113-N117 WeakPolarHBondContact O-CB 3.49Å; G113-N117 PolarHBondContact O-N 2.93Å
114S98.6Very high98.6Very high11 Ų1123.6 Ų23.68%0.07713%0.125CC..Hα-helixtrans-64.3-45.9173.1-53.50000111.6S112 A116 N117 D118 H143 L147S112-S114 PolarHBondContact O-N 3.24Å; S112-S114 PolarHBondContact OG-N 3.05Å; S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.75Å; S114-N117 PolarHBondContact O-N 2.71Å; S114-D118 VanDerWaalsContact O-CB 3.31Å; S114-D118 WeakPolarHBondContact O-CB 3.28Å; S114-D118 PolarHBondContact O-N 2.67Å; S114-H143 PolarHBondContact OG-CD2 2.78Å; S114-H143 PolarHBondContact OG-N 2.9Å; S114-H143 PolarHBondContact OG-NE2 3.1Å; S114-L147 WeakPolarHBondContact O-CD1 3.45Å
115E98.8Very high98.6Very high61 Ų6126.9 Ų26.929%0.28514%0.14SC..Hα-helixtrans-63.7-35.3176.3-69.6-178.8176.300111.7V110 N111 S112 L119 N308V110-E115 HydrophobicContact CB-CB 3.74Å; V110-E115 HydrophobicContact CG1-CB 4.29Å; V110-E115 HydrophobicContact CG2-CB 3.88Å; N111-E115 WeakPolarHBondContact CB-OE2 3.06Å; N111-E115 PolarHBondContact N-OE2 2.93Å; N111-E115 PolarHBondContact ND2-OE2 3.26Å; S112-E115 PolarHBondContact O-N 2.95Å; S112-E115 VanDerWaalsContact O-N 3.11Å; S112-E115 PolarHBondContact OG-N 3.03Å; S112-E115 VanDerWaalsContact OG-N 3.11Å; E115-L119 WeakPolarHBondContact O-CB 3.28Å; E115-L119 PolarHBondContact O-N 3.23Å; E115-N308 PolarHBondContact OE2-ND2 2.9Å; E115-N308 VanDerWaalsContact OE2-ND2 3.15Å
116A98.9Very high98.6Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-66.7-46.8177.500000111.8V110 S112 G113 S114 L119 A120 T275 A287 V289V110-A116 HydrophobicContact CG2-CB 3.75Å; S112-A116 PolarHBondContact O-N 3.07Å; G113-A116 PolarHBondContact O-N 3.25Å; S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.75Å; A116-L119 PolarHBondContact O-N 3.49Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.07Å; A116-T275 HydrophobicContact CB-CG2 4.33Å; A116-A287 HydrophobicContact CB-CB 4.34Å; A116-V289 HydrophobicContact CB-CG2 3.83Å; A116-V289 WeakPolarHBondContact O-CG2 3.04Å
117N98.9Very high98.6Very high2 Ų228.7 Ų28.71%0.01114%0.136CC..Hα-helixtrans-67.4-37179-75.8-22000112.5G113 S114 A120 L121 H141 L147 F211 D246 T275G113-N117 WeakPolarHBondContact O-CB 3.49Å; G113-N117 PolarHBondContact O-N 2.93Å; S114-N117 PolarHBondContact O-N 2.71Å; N117-A120 PolarHBondContact O-N 3.2Å; N117-L121 PolarHBondContact O-N 3.46Å; N117-H141 WeakPolarHBondContact CB-O 3.37Å; N117-H141 PolarHBondContact ND2-O 3.42Å; N117-L147 HydrophobicContact CB-CD1 3.79Å; N117-L147 HydrophobicContact CB-CD2 3.75Å; N117-L147 HydrophobicContact CB-CG 4.45Å; N117-F211 HydrophobicContact CB-CE1 4.18Å; N117-F211 HydrophobicContact CB-CZ 3.7Å; N117-F211 VanDerWaalsContact OD1-CE1 3.31Å; N117-F211 WeakPolarHBondContact OD1-CE1 3.33Å; N117-F211 WeakPolarHBondContact OD1-CZ 3.48Å; N117-D246 PolarHBondContact ND2-OD2 3.45Å; N117-T275 WeakPolarHBondContact OD1-CB 3.39Å; N117-T275 VanDerWaalsContact OD1-CG2 3.24Å; N117-T275 WeakPolarHBondContact OD1-CG2 3.32Å; N117-T275 PolarHBondContact OD1-OG1 2.82Å
118D98.8Very high98.6Very high55 Ų5527.8 Ų27.829%0.29413%0.133SC..Hα-helixtrans-67.4-42.1176-176.275.6000111.7S114 L121 R122 L144 S146 L147S114-D118 VanDerWaalsContact O-CB 3.31Å; S114-D118 WeakPolarHBondContact O-CB 3.28Å; S114-D118 PolarHBondContact O-N 2.67Å; D118-L121 WeakPolarHBondContact O-CB 3.49Å; D118-L121 PolarHBondContact O-N 3.17Å; D118-R122 PolarHBondContact O-N 3.29Å; D118-L144 HydrophobicContact CB-CD1 3.58Å; D118-S146 WeakPolarHBondContact OD1-CB 3.4Å; D118-S146 PolarHBondContact OD1-OG 3.13Å; D118-L147 HydrophobicContact CB-CD1 4.1Å; D118-L147 HydrophobicContact CB-CG 4.31Å
119L98.8Very high98.6Very high4 Ų434 Ų342%0.02116%0.157CC..Hα-helixtrans-64.9-39.6173-179.861000111.8Y108 V110 E115 A116 L121 R122 L123 V289 F299 Y306Y108-L119 VanDerWaalsContact CB-CD2 3.43Å; Y108-L119 HydrophobicContact CD1-CD2 4.27Å; Y108-L119 HydrophobicContact CG-CD2 3.86Å; V110-L119 HydrophobicContact CG1-CD2 4.24Å; E115-L119 WeakPolarHBondContact O-CB 3.28Å; E115-L119 PolarHBondContact O-N 3.23Å; A116-L119 PolarHBondContact O-N 3.49Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.07Å; L119-R122 PolarHBondContact O-N 2.81Å; L119-L123 HydrophobicContact CD1-CG 4.31Å; L119-L123 HydrophobicContact CG-CD1 4.24Å; L119-L123 HydrophobicContact CG-CG 4.31Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.44Å; L119-V289 HydrophobicContact CB-CG2 4.14Å; L119-V289 HydrophobicContact CD2-CB 4.48Å; L119-V289 HydrophobicContact CD2-CG2 4.01Å; L119-V289 HydrophobicContact CG-CG2 4.27Å; L119-F299 HydrophobicContact CD1-CE1 4.39Å; L119-F299 HydrophobicContact CD1-CZ 4.16Å; L119-Y306 HydrophobicContact CD1-CD2 4.18Å; L119-Y306 HydrophobicContact CD1-CE2 3.76Å; L119-Y306 HydrophobicContact CD2-CE1 3.99Å; L119-Y306 HydrophobicContact CD2-CE2 4.41Å
120A98.9Very high98.5Very high0 Ų034.7 Ų34.70%016%0.16CC..Hα-helixtrans-60.8-41.1176.100000112.2A116 N117 L123 A124 F211 V244 I273 T275 V289A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.07Å; N117-A120 PolarHBondContact O-N 3.2Å; A120-L123 PolarHBondContact O-N 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.92Å; A120-F211 HydrophobicContact CB-CE2 4.21Å; A120-F211 HydrophobicContact CB-CZ 4.31Å; A120-V244 HydrophobicContact CB-CG1 4.09Å; A120-I273 HydrophobicContact CB-CG2 3.78Å; A120-T275 HydrophobicContact CB-CG2 3.52Å; A120-V289 HydrophobicContact CB-CG1 4.33Å
121L98.5Very high98.4Very high6 Ų641.1 Ų41.13%0.03119%0.19CC..Hα-helixtrans-59.4-49.8173179.760000110.9N117 D118 L119 L123 A124 E125 V133N117-L121 PolarHBondContact O-N 3.46Å; D118-L121 WeakPolarHBondContact O-CB 3.49Å; D118-L121 PolarHBondContact O-N 3.17Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.07Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.97Å; L121-A124 WeakPolarHBondContact O-CB 3.45Å; L121-A124 PolarHBondContact O-N 3.24Å; L121-A124 VanDerWaalsContact O-N 3.15Å; L121-E125 HydrophobicContact CD1-CG 4.36Å; L121-E125 WeakPolarHBondContact O-CG 3.29Å; L121-E125 PolarHBondContact O-N 3.38Å; L121-V133 HydrophobicContact CD1-CG2 3.44Å; L121-V133 VanDerWaalsContact CD1-CG2 3.44Å
122R98.1Very high98.4Very high97 Ų9740 Ų4037%0.36618%0.184SC..Hα-helixtrans-61-38.3178.1-171.5-178.6172.5-162.9-6.9113D118 L119 Q126 F299D118-R122 PolarHBondContact O-N 3.29Å; L119-R122 PolarHBondContact O-N 2.81Å; R122-Q126 VanDerWaalsContact O-CB 3.23Å; R122-Q126 WeakPolarHBondContact O-CB 3.45Å; R122-Q126 PolarHBondContact O-N 2.78Å; R122-Q126 VanDerWaalsContact O-N 3.08Å; R122-F299 HydrophobicContact CG-CE2 3.98Å
123L98.8Very high98.4Very high0 Ų038.2 Ų38.20%017%0.172CC..Hα-helixtrans-64.4-44.3175-73.4174.1000111.2Y108 L119 A120 L121 Q126 Y127 I273 V289 T291 I295 F299Y108-L123 HydrophobicContact CD2-CD1 4.15Å; Y108-L123 HydrophobicContact CE2-CD1 4.11Å; Y108-L123 HydrophobicContact CE2-CD2 4.2Å; L119-L123 HydrophobicContact CD1-CG 4.31Å; L119-L123 HydrophobicContact CG-CD1 4.24Å; L119-L123 HydrophobicContact CG-CG 4.31Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.44Å; A120-L123 PolarHBondContact O-N 3.25Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.97Å; L123-Q126 PolarHBondContact O-N 2.86Å; L123-Y127 VanDerWaalsContact O-CB 3.31Å; L123-Y127 WeakPolarHBondContact O-CB 3.37Å; L123-Y127 PolarHBondContact O-N 3.04Å; L123-I273 HydrophobicContact CB-CD1 3.98Å; L123-V289 HydrophobicContact CD1-CG1 3.87Å; L123-T291 HydrophobicContact CD1-CG2 4.34Å; L123-I295 HydrophobicContact CB-CG2 3.92Å; L123-I295 HydrophobicContact CD2-CG2 4.45Å; L123-F299 HydrophobicContact CD2-CB 3.52Å; L123-F299 HydrophobicContact CD2-CD1 3.7Å; L123-F299 HydrophobicContact CD2-CD2 3.79Å; L123-F299 HydrophobicContact CD2-CE1 4.3Å; L123-F299 HydrophobicContact CD2-CE2 4.43Å; L123-F299 HydrophobicContact CD2-CG 3.41Å; L123-F299 VanDerWaalsContact CD2-CG 3.41Å
124A98.8Very high98.5Very high0 Ų037.6 Ų37.60%017%0.165CC..Hα-helixtrans-63.1-48.9178.500000112A120 L121 Q126 Y127 T128 A209 V242 I273A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.92Å; L121-A124 WeakPolarHBondContact O-CB 3.45Å; L121-A124 PolarHBondContact O-N 3.24Å; L121-A124 VanDerWaalsContact O-N 3.15Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 2.95Å; A124-Y127 PolarHBondContact O-N 2.84Å; A124-T128 WeakPolarHBondContact O-CB 3.43Å; A124-T128 VanDerWaalsContact O-CG2 3.32Å; A124-T128 WeakPolarHBondContact O-CG2 3.36Å; A124-T128 PolarHBondContact O-N 3.28Å; A124-T128 PolarHBondContact O-OG1 3.07Å; A124-A209 HydrophobicContact CB-CB 3.92Å; A124-V242 HydrophobicContact CB-CG2 3.48Å; A124-V242 VanDerWaalsContact CB-CG2 3.48Å; A124-I273 HydrophobicContact CB-CD1 4.38Å
125E98.2Very high98.5Very high69 Ų6937.1 Ų37.132%0.32216%0.162SC..Hα-helixtrans-59.1-45.1177.3-70170.9178.500111.5L121 Y127 R129 H130 A208L121-E125 HydrophobicContact CD1-CG 4.36Å; L121-E125 WeakPolarHBondContact O-CG 3.29Å; L121-E125 PolarHBondContact O-N 3.38Å; E125-Y127 PolarHBondContact O-N 2.83Å; E125-R129 VanDerWaalsContact O-CA 3.23Å; E125-R129 WeakPolarHBondContact O-CA 3.48Å; E125-R129 PolarHBondContact O-N 3.23Å; E125-H130 WeakPolarHBondContact CA-O 3.48Å; E125-A208 HydrophobicContact CG-CB 4.25Å
126Q98.1Very high98.4Very high30 Ų3034.2 Ų34.214%0.1415%0.148CC..Hα-helixtrans-67.2-37.7-179.4176.361.52500112.8R122 L123 A124 R129 A298 F299R122-Q126 VanDerWaalsContact O-CB 3.23Å; R122-Q126 WeakPolarHBondContact O-CB 3.45Å; R122-Q126 PolarHBondContact O-N 2.78Å; R122-Q126 VanDerWaalsContact O-N 3.08Å; L123-Q126 PolarHBondContact O-N 2.86Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 2.95Å; Q126-R129 VanDerWaalsContact NE2-NH1 3.19Å; Q126-R129 PolarHBondContact O-NE 3.37Å; Q126-A298 WeakPolarHBondContact CG-O 3.14Å; Q126-A298 PolarHBondContact NE2-O 2.89Å; Q126-F299 HydrophobicContact CB-CD2 4.18Å; Q126-F299 HydrophobicContact CG-CB 4.48Å; Q126-F299 HydrophobicContact CG-CD2 3.97Å
127Y98.6Very high98.4Very high104 Ų10435.6 Ų35.641%0.40816%0.155SC..Hα-helixtrans-71.9-46.6178.2177.1-106.8000112.1L123 A124 E125 V242 E294 I295 A298L123-Y127 VanDerWaalsContact O-CB 3.31Å; L123-Y127 WeakPolarHBondContact O-CB 3.37Å; L123-Y127 PolarHBondContact O-N 3.04Å; A124-Y127 PolarHBondContact O-N 2.84Å; E125-Y127 PolarHBondContact O-N 2.83Å; Y127-V242 HydrophobicContact CD1-CG1 3.63Å; Y127-V242 HydrophobicContact CE1-CG1 3.84Å; Y127-E294 HydrophobicContact CE2-CB 4.07Å; Y127-I295 HydrophobicContact CD1-CG1 3.87Å; Y127-I295 HydrophobicContact CD2-CB 4.3Å; Y127-I295 HydrophobicContact CD2-CG1 3.82Å; Y127-I295 HydrophobicContact CE1-CG1 4.14Å; Y127-I295 HydrophobicContact CE2-CG1 4.1Å; Y127-I295 HydrophobicContact CG-CB 4.38Å; Y127-I295 HydrophobicContact CG-CG1 3.7Å; Y127-A298 HydrophobicContact CD2-CB 3.69Å; Y127-A298 HydrophobicContact CG-CB 4.46Å
128T98.5Very high98.2Very high14 Ų1437.7 Ų37.79%0.08617%0.165CC..Hα-helixtrans-85.5-23.5-173.661.20000113.6A124 H130 A208 G240 V242A124-T128 WeakPolarHBondContact O-CB 3.43Å; A124-T128 VanDerWaalsContact O-CG2 3.32Å; A124-T128 WeakPolarHBondContact O-CG2 3.36Å; A124-T128 PolarHBondContact O-N 3.28Å; A124-T128 PolarHBondContact O-OG1 3.07Å; T128-H130 PolarHBondContact O-CD2 3.34Å; T128-H130 VanDerWaalsContact O-CD2 3.26Å; T128-H130 PolarHBondContact O-N 2.91Å; T128-H130 PolarHBondContact O-NE2 3.26Å; T128-H130 PolarHBondContact OG1-N 2.82Å; T128-A208 WeakPolarHBondContact CG2-O 3.24Å; T128-A208 WeakPolarHBondContact OG1-CA 3.35Å; T128-G240 VanDerWaalsContact CG2-O 3.28Å; T128-G240 WeakPolarHBondContact CG2-O 3.17Å; T128-V242 HydrophobicContact CG2-CG1 4.01Å
129R98.1Very high98.1Very high166 Ų16635.2 Ų35.263%0.62615%0.152SC*.  trans60.824.2-168.3-51.6-59.9-172.3-173.3-8.2113.6E125 Q126E125-R129 VanDerWaalsContact O-CA 3.23Å; E125-R129 WeakPolarHBondContact O-CA 3.48Å; E125-R129 PolarHBondContact O-N 3.23Å; Q126-R129 VanDerWaalsContact NE2-NH1 3.19Å; Q126-R129 PolarHBondContact O-NE 3.37Å
130H98.2Very high98.1Very high32 Ų3238.1 Ų38.115%0.14816%0.164CC..  trans-113.5164.5177.5-56.9160.3000109.7E125 T128 K206 I207 A208E125-H130 WeakPolarHBondContact CA-O 3.48Å; T128-H130 PolarHBondContact O-CD2 3.34Å; T128-H130 VanDerWaalsContact O-CD2 3.26Å; T128-H130 PolarHBondContact O-N 2.91Å; T128-H130 PolarHBondContact O-NE2 3.26Å; T128-H130 PolarHBondContact OG1-N 2.82Å; H130-K206 HydrophobicContact CB-CB 4.1Å; H130-K206 WeakPolarHBondContact CB-O 3.2Å; H130-K206 WeakPolarHBondContact NE2-CD 3.06Å; H130-I207 VanDerWaalsContact CB-C 3.5Å; H130-I207 WeakPolarHBondContact CB-O 3.48Å; H130-I207 PolarHBondContact ND1-O 2.96Å; H130-A208 HydrophobicContact CB-CB 4.05Å; H130-A208 WeakPolarHBondContact O-CB 3.24Å
131E95.9Very high98.1Very high134 Ų13438.3 Ų38.363%0.62616%0.164SC*.  trans-117.5-26.6-177.6-65.3-178.5175.200113
132D98.6Very high98Very high5 Ų538.1 Ų38.13%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-76.7144.2-169.4-67.532.8000112.4W164 H166 R205 K206 I207 A208 A209D132-W164 CarbonylContact C-O 3.58Å; D132-W164 WeakPolarHBondContact CA-O 3.32Å; D132-H166 IonicContact OD2-CD2 3.38Å; D132-H166 IonicContact OD2-CE1 2.84Å; D132-H166 IonicContact OD2-NE2 2.81Å; D132-H166 PolarHBondContact OD2-NE2 3.41Å; D132-R205 IonicContact OD1-CZ 2.74Å; D132-R205 IonicContact OD1-NE 2.82Å; D132-R205 PolarHBondContact OD1-NE 3.08Å; D132-R205 IonicContact OD1-NH2 3.7Å; D132-R205 PolarHBondContact OD1-NH2 3.11Å; D132-R205 WeakPolarHBondContact OD2-CB 3.26Å; D132-R205 IonicContact OD2-CZ 3.18Å; D132-R205 IonicContact OD2-NE 3.96Å; D132-R205 PolarHBondContact OD2-NE 3.21Å; D132-R205 IonicContact OD2-NH2 3.21Å; D132-K206 VanDerWaalsContact CB-O 3.29Å; D132-K206 WeakPolarHBondContact CB-O 3.47Å; D132-K206 PolarHBondContact N-O 3.36Å; D132-I207 HydrophobicContact CB-CG2 4.28Å; D132-I207 CarbonylContact O-C 3.59Å; D132-I207 VanDerWaalsContact O-CA 3.31Å; D132-I207 WeakPolarHBondContact O-CA 3.46Å; D132-A208 PolarHBondContact O-N 2.76Å; D132-A209 PolarHBondContact O-N 3.32Å
133V98.8Very high97.9Very high0 Ų039.2 Ų39.20%017%0.173CC..EExtended strand (participates in β ladder)trans-124.6134.4179.6-177.60000110L121 V135 I150 W164 H166 A209 F211L121-V133 HydrophobicContact CD1-CG2 3.44Å; L121-V133 VanDerWaalsContact CD1-CG2 3.44Å; V133-V135 HydrophobicContact CG1-CG1 3.84Å; V133-I150 HydrophobicContact CB-CG2 4.3Å; V133-I150 HydrophobicContact CG1-CG2 4.31Å; V133-W164 HydrophobicContact CB-CE3 4.45Å; V133-W164 HydrophobicContact CB-CZ3 4.24Å; V133-W164 HydrophobicContact CG2-CE3 4.14Å; V133-W164 HydrophobicContact CG2-CZ3 3.82Å; V133-W164 PolarHBondContact N-O 2.76Å; V133-H166 PolarHBondContact O-N 2.92Å; V133-A209 WeakPolarHBondContact CA-O 3.4Å; V133-A209 HydrophobicContact CG1-CB 4.49Å; V133-F211 HydrophobicContact CG1-CB 4.33Å
134V98.9Very high97.9Very high0 Ų041.8 Ų41.80%019%0.186CC..EExtended strand (participates in β ladder)trans-98.9128.6167.8-176.40000108.8H166 A168 V193 L196 I197 I200 I207 A209 F210 F211V134-H166 CarbonylContact C-O 3.57Å; V134-H166 WeakPolarHBondContact CA-O 3.4Å; V134-H166 HydrophobicContact CG2-CB 4.2Å; V134-A168 HydrophobicContact CG1-CB 4.15Å; V134-V193 HydrophobicContact CG1-CG1 4.36Å; V134-L196 HydrophobicContact CG1-CD2 3.9Å; V134-I197 HydrophobicContact CG2-CG1 4.4Å; V134-I200 HydrophobicContact CG2-CD1 4.02Å; V134-I207 HydrophobicContact CG2-CG2 4.05Å; V134-A209 PolarHBondContact N-O 3.33Å; V134-F210 HydrophobicContact CB-CD2 3.86Å; V134-F210 HydrophobicContact CG1-CD2 3.65Å; V134-F210 HydrophobicContact CG1-CE2 4Å; V134-F210 CarbonylContact O-C 3.59Å; V134-F210 VanDerWaalsContact O-CA 3.32Å; V134-F210 WeakPolarHBondContact O-CA 3.42Å; V134-F211 PolarHBondContact O-N 3.43Å
135V98.8Very high97.8Very high0 Ų050.1 Ų50.10%022%0.223CC..EExtended strand (participates in β ladder)trans-126.3160.3175-61.90000111.2V133 I150 P152 V165 H166 V167 A168 F211V133-V135 HydrophobicContact CG1-CG1 3.84Å; V135-I150 HydrophobicContact CG1-CB 3.93Å; V135-I150 WeakPolarHBondContact CG1-O 3.35Å; V135-P152 HydrophobicContact CG2-CG 3.79Å; V135-V165 HydrophobicContact CG2-CG1 4.23Å; V135-H166 PolarHBondContact N-O 3.4Å; V135-V167 HydrophobicContact CG2-CG2 4.3Å; V135-V167 WeakPolarHBondContact O-CA 3.24Å; V135-A168 PolarHBondContact O-N 2.84Å; V135-F211 HydrophobicContact CG1-CB 3.88Å
136L98.5Very high97.8Very high1 Ų148.1 Ų48.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-78148.1171.3-67.5179000111.5A139 A168 P171 F210 A212 P216 Y228L136-A139 HydrophobicContact CB-CB 4.44Å; L136-A139 WeakPolarHBondContact O-CB 3.22Å; L136-A139 PolarHBondContact O-N 2.9Å; L136-A168 CarbonylContact C-O 3.55Å; L136-A168 HydrophobicContact CD2-CB 4.2Å; L136-P171 HydrophobicContact CD2-CG 4.36Å; L136-F210 HydrophobicContact CD2-CE2 4.3Å; L136-F210 HydrophobicContact CD2-CZ 3.96Å; L136-F210 HydrophobicContact CG-CZ 4.05Å; L136-A212 HydrophobicContact CD1-CB 3.85Å; L136-A212 HydrophobicContact CG-CB 4.28Å; L136-P216 HydrophobicContact CD1-CG 4.33Å; L136-Y228 HydrophobicContact CD2-CE1 4.46Å; L136-Y228 WeakPolarHBondContact CD2-OH 3.14Å
137D97.3Very high97.8Very high28 Ų2846.7 Ų46.715%0.1521%0.21CC..THydrogen-bonded Turntrans-59.4148.9171-155.8-5.4000111.5A139 R156 V167 A168 L170D137-A139 PolarHBondContact O-N 3.4Å; D137-R156 VanDerWaalsContact CG-CZ 3.49Å; D137-R156 IonicContact OD1-CZ 2.79Å; D137-R156 IonicContact OD1-NE 3.36Å; D137-R156 IonicContact OD1-NH1 2.83Å; D137-R156 PolarHBondContact OD1-NH1 3.48Å; D137-R156 IonicContact OD1-NH2 3.78Å; D137-R156 PolarHBondContact OD1-NH2 2.94Å; D137-R156 IonicContact OD2-CZ 2.8Å; D137-R156 VanDerWaalsContact OD2-CZ 3.28Å; D137-R156 IonicContact OD2-NH1 2.72Å; D137-R156 PolarHBondContact OD2-NH1 3.4Å; D137-R156 IonicContact OD2-NH2 3.08Å; D137-R156 PolarHBondContact OD2-NH2 3.35Å; D137-V167 HydrophobicContact CB-CG1 3.81Å; D137-A168 PolarHBondContact N-O 3.03Å; D137-L170 HydrophobicContact CB-CB 4.3Å
138H95.8Very high97.7Very high47 Ų4743.4 Ų43.422%0.21820%0.199CC..THydrogen-bonded Turntrans59.26.1-174.2-54.9-68.7000115.9L170 P405H138-L170 HydrophobicContact CB-CD2 4.43Å; H138-P405 VanDerWaalsContact CE1-CG 3.42Å; H138-P405 WeakPolarHBondContact CE1-CG 3.34Å; H138-P405 WeakPolarHBondContact NE2-CG 3.37Å
139A97.3Very high97.7Very high3 Ų344 Ų443%0.02520%0.201CC..  trans-63.4150.5177.800000112.5L136 D137 H141 S151 P152 Y153L136-A139 HydrophobicContact CB-CB 4.44Å; L136-A139 WeakPolarHBondContact O-CB 3.22Å; L136-A139 PolarHBondContact O-N 2.9Å; D137-A139 PolarHBondContact O-N 3.4Å; A139-H141 WeakPolarHBondContact CB-NE2 3.5Å; A139-S151 CarbonylContact O-C 3.17Å; A139-S151 WeakPolarHBondContact O-CA 3.34Å; A139-P152 WeakPolarHBondContact O-CD 3.35Å; A139-Y153 WeakPolarHBondContact O-CB 3.31Å; A139-Y153 PolarHBondContact O-N 3.32Å
140Y98Very high97.7Very high65 Ų6536 Ų3626%0.25517%0.171SC..  trans-136.3113.2172.6175.1-104.1000111.1G142 Y153 K154 E213Y140-G142 WeakPolarHBondContact CE2-O 3.22Å; Y140-Y153 HydrophobicContact CD2-CD1 4.09Å; Y140-Y153 HydrophobicContact CG-CD1 4.37Å; Y140-K154 HydrophobicContact CD2-CG 3.88Å; Y140-K154 HydrophobicContact CE2-CD 4.5Å; Y140-K154 HydrophobicContact CE2-CG 3.94Å; Y140-E213 PolarHBondContact N-OE1 3.21Å; Y140-E213 VanDerWaalsContact N-OE1 3.15Å
141H98Very high97.7Very high3 Ų334.5 Ų34.51%0.01416%0.164CC..  trans-109.8-1.6-175.3-62.8-53.9000113.9N117 A139 L147 I150 S151 F211 D246N117-H141 WeakPolarHBondContact CB-O 3.37Å; N117-H141 PolarHBondContact ND2-O 3.42Å; A139-H141 WeakPolarHBondContact CB-NE2 3.5Å; H141-L147 HydrophobicContact CB-CD2 4.4Å; H141-L147 WeakPolarHBondContact O-CD1 3.45Å; H141-I150 HydrophobicContact CB-CD1 4.23Å; H141-I150 HydrophobicContact CB-CG1 4.45Å; H141-S151 PolarHBondContact N-OG 2.79Å; H141-F211 HydrophobicContact CB-CD1 4.46Å; H141-F211 HydrophobicContact CB-CE1 4.24Å; H141-F211 AromaticContact CD2-CD1 3.75Å; H141-F211 AromaticContact CE1-CD1 3.47Å; H141-F211 VanDerWaalsContact CE1-CD1 3.47Å; H141-F211 WeakPolarHBondContact CE1-CD1 3.46Å; H141-F211 AromaticContact CG-CD1 3.64Å; H141-F211 AromaticContact CG-CE1 3.81Å; H141-F211 AromaticContact ND1-CD1 3.45Å; H141-F211 WeakPolarHBondContact ND1-CD1 3.48Å; H141-F211 AromaticContact ND1-CE1 3.61Å; H141-F211 AromaticContact NE2-CD1 3.65Å; H141-D246 IonicContact CE1-OD2 3.25Å; H141-D246 IonicContact CG-OD2 2.72Å; H141-D246 IonicContact ND1-OD2 3.86Å; H141-D246 PolarHBondContact ND1-OD2 3.08Å
142G97.2Very high97.8Very high3 Ų328.2 Ų28.23%0.03114%0.135CC..  trans143.7-171.1172.200000113.6Y140Y140-G142 WeakPolarHBondContact CE2-O 3.22Å
143H96.5Very high97.7Very high119 Ų11931.2 Ų31.255%0.55115%0.146SC*.SBendtrans-114-1.6-172.168.471.9000114.5S114S114-H143 PolarHBondContact OG-CD2 2.78Å; S114-H143 PolarHBondContact OG-N 2.9Å; S114-H143 PolarHBondContact OG-NE2 3.1Å
144L98Very high97.5Very high54 Ų5434.7 Ų34.728%0.28316%0.161SC..SBendtrans-67.7155.1171.8-63.6177.5000109.5D118 S146 L147 I148D118-L144 HydrophobicContact CB-CD1 3.58Å; L144-S146 PolarHBondContact O-N 3.23Å; L144-L147 HydrophobicContact CB-CB 4.43Å; L144-L147 HydrophobicContact CB-CD1 4.17Å; L144-L147 HydrophobicContact CB-CG 4.27Å; L144-L147 HydrophobicContact CD1-CD1 4.45Å; L144-L147 HydrophobicContact CG-CD1 4.5Å; L144-L147 CarbonylContact O-C 3.51Å; L144-L147 WeakPolarHBondContact O-CA 3.42Å; L144-L147 WeakPolarHBondContact O-CB 3.36Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 3.26Å
145K97.1Very high97.4Very high175 Ų17534.9 Ų34.976%0.76116%0.162SC*.Hα-helixtrans-55.5-48.8-173.6-176.6-177.1174.7-171.30112.5L147 I148 D149K145-L147 PolarHBondContact O-N 3.35Å; K145-I148 PolarHBondContact O-N 2.81Å; K145-D149 PolarHBondContact O-N 3.28Å; K145-D149 VanDerWaalsContact O-N 3.12Å
146S97.1Very high97.2Very high27 Ų2740.9 Ų40.919%0.18919%0.185CC..Hα-helixtrans-52-40.6171.745.80000112.6D118 L144 D149 I150D118-S146 WeakPolarHBondContact OD1-CB 3.4Å; D118-S146 PolarHBondContact OD1-OG 3.13Å; L144-S146 PolarHBondContact O-N 3.23Å; S146-D149 PolarHBondContact O-N 3.17Å; S146-I150 PolarHBondContact O-N 3Å
147L98.1Very high97Very high0 Ų047.8 Ų47.80%022%0.215CC..Hα-helixtrans-80.6-30.1-177.5-61.7179.6000113.9S114 N117 D118 H141 L144 K145 D149 I150 S151S114-L147 WeakPolarHBondContact O-CD1 3.45Å; N117-L147 HydrophobicContact CB-CD1 3.79Å; N117-L147 HydrophobicContact CB-CD2 3.75Å; N117-L147 HydrophobicContact CB-CG 4.45Å; D118-L147 HydrophobicContact CB-CD1 4.1Å; D118-L147 HydrophobicContact CB-CG 4.31Å; H141-L147 HydrophobicContact CB-CD2 4.4Å; H141-L147 WeakPolarHBondContact O-CD1 3.45Å; L144-L147 HydrophobicContact CB-CB 4.43Å; L144-L147 HydrophobicContact CB-CD1 4.17Å; L144-L147 HydrophobicContact CB-CG 4.27Å; L144-L147 HydrophobicContact CD1-CD1 4.45Å; L144-L147 HydrophobicContact CG-CD1 4.5Å; L144-L147 CarbonylContact O-C 3.51Å; L144-L147 WeakPolarHBondContact O-CA 3.42Å; L144-L147 WeakPolarHBondContact O-CB 3.36Å; L144-L147 PolarHBondContact O-N 3.49Å; K145-L147 PolarHBondContact O-N 3.35Å; L147-D149 VanDerWaalsContact C-N 3.28Å; L147-I150 HydrophobicContact CD2-CD1 3.74Å; L147-I150 HydrophobicContact CD2-CG1 4.1Å; L147-I150 PolarHBondContact O-N 3.33Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 2.94Å; L147-S151 VanDerWaalsContact O-N 3.16Å; L147-S151 PolarHBondContact O-OG 3.5Å
148I98.1Very high96.8Very high36 Ų3652.2 Ų52.219%0.18524%0.238CC..Hα-helixtrans-62.3-42.2168-66.6-63000109.5L144 K145 I150 S151 K154 L158L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 3.26Å; K145-I148 PolarHBondContact O-N 2.81Å; I148-I150 VanDerWaalsContact C-N 3.29Å; I148-I150 PolarHBondContact O-N 3.37Å; I148-S151 PolarHBondContact O-N 3.18Å; I148-K154 HydrophobicContact CD1-CB 3.94Å; I148-K154 HydrophobicContact CD1-CG 3.86Å; I148-K154 HydrophobicContact CG2-CB 4.31Å; I148-L158 HydrophobicContact CG2-CD1 3.65Å
149D98Very high96.6Very high25 Ų2554.3 Ų54.313%0.13426%0.263CS..Hα-helixtrans-62.7-32.7179.4-72.2-21.6000112.5K145 S146 L147 F155 K162 W164K145-D149 PolarHBondContact O-N 3.28Å; K145-D149 VanDerWaalsContact O-N 3.12Å; S146-D149 PolarHBondContact O-N 3.17Å; L147-D149 VanDerWaalsContact C-N 3.28Å; D149-F155 WeakPolarHBondContact O-CD1 3.29Å; D149-F155 WeakPolarHBondContact O-CE1 3.2Å; D149-K162 HydrophobicContact CB-CG 3.91Å; D149-K162 VanDerWaalsContact CG-CE 3.49Å; D149-K162 WeakPolarHBondContact OD1-CE 3.24Å; D149-W164 HydrophobicContact CB-CH2 4.14Å; D149-W164 HydrophobicContact CB-CZ2 3.75Å
150I98.1Very high96.4Very high0 Ų055.4 Ų55.40%028%0.275CS..THydrogen-bonded Turntrans-9711.7175.769.6165.2000114.6V133 V135 H141 S146 L147 I148 P152 W164 V165 F211V133-I150 HydrophobicContact CB-CG2 4.3Å; V133-I150 HydrophobicContact CG1-CG2 4.31Å; V135-I150 HydrophobicContact CG1-CB 3.93Å; V135-I150 WeakPolarHBondContact CG1-O 3.35Å; H141-I150 HydrophobicContact CB-CD1 4.23Å; H141-I150 HydrophobicContact CB-CG1 4.45Å; S146-I150 PolarHBondContact O-N 3Å; L147-I150 HydrophobicContact CD2-CD1 3.74Å; L147-I150 HydrophobicContact CD2-CG1 4.1Å; L147-I150 PolarHBondContact O-N 3.33Å; I148-I150 VanDerWaalsContact C-N 3.29Å; I148-I150 PolarHBondContact O-N 3.37Å; I150-P152 WeakPolarHBondContact O-CD 3.22Å; I150-W164 HydrophobicContact CG2-CH2 3.51Å; I150-W164 HydrophobicContact CG2-CZ3 3.48Å; I150-W164 VanDerWaalsContact CG2-CZ3 3.48Å; I150-V165 HydrophobicContact CG2-CG2 3.89Å; I150-F211 HydrophobicContact CD1-CD2 4.21Å; I150-F211 HydrophobicContact CD1-CE2 4.5Å; I150-F211 HydrophobicContact CD1-CG 4.35Å
151S98.3Very high96.4Very high0 Ų057.2 Ų57.20%029%0.286CS..  trans-112.495.2179.2-66.10000111.3A139 H141 L147 I148 Y153 K154 F155A139-S151 CarbonylContact O-C 3.17Å; A139-S151 WeakPolarHBondContact O-CA 3.34Å; H141-S151 PolarHBondContact N-OG 2.79Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 2.94Å; L147-S151 VanDerWaalsContact O-N 3.16Å; L147-S151 PolarHBondContact O-OG 3.5Å; I148-S151 PolarHBondContact O-N 3.18Å; S151-Y153 PolarHBondContact O-N 2.82Å; S151-Y153 VanDerWaalsContact O-N 3.08Å; S151-K154 WeakPolarHBondContact O-CA 3.36Å; S151-K154 PolarHBondContact O-N 2.72Å; S151-F155 VanDerWaalsContact C-CE1 3.48Å; S151-F155 WeakPolarHBondContact O-CD1 3.39Å; S151-F155 PolarHBondContact O-N 2.7Å
152P97.6Very high96.4Very high1 Ų160.5 Ų60.51%0.00630%0.3CS..Hα-helixtrans-55.1-30.4179.7-26.634.7000113.9V135 A139 I150 K154 F155 R156 V167V135-P152 HydrophobicContact CG2-CG 3.79Å; A139-P152 WeakPolarHBondContact O-CD 3.35Å; I150-P152 WeakPolarHBondContact O-CD 3.22Å; P152-K154 PolarHBondContact O-N 3.48Å; P152-F155 VanDerWaalsContact CA-CZ 3.44Å; P152-F155 HydrophobicContact CB-CE1 3.92Å; P152-F155 HydrophobicContact CB-CE2 4.34Å; P152-F155 HydrophobicContact CB-CZ 3.7Å; P152-F155 HydrophobicContact CG-CE1 3.62Å; P152-F155 HydrophobicContact CG-CZ 3.64Å; P152-R156 WeakPolarHBondContact O-CB 3.4Å; P152-R156 VanDerWaalsContact O-CG 3.3Å; P152-R156 WeakPolarHBondContact O-CG 3.46Å; P152-V167 HydrophobicContact CG-CG1 4.11Å; P152-V167 HydrophobicContact CG-CG2 4.03Å
153Y95.9Very high96.4Very high69 Ų6967.3 Ų67.327%0.27133%0.331SS..Hα-helixtrans-56.6-30.1172.7177.1-109.9000113.7A139 Y140 S151 V218A139-Y153 WeakPolarHBondContact O-CB 3.31Å; A139-Y153 PolarHBondContact O-N 3.32Å; Y140-Y153 HydrophobicContact CD2-CD1 4.09Å; Y140-Y153 HydrophobicContact CG-CD1 4.37Å; S151-Y153 PolarHBondContact O-N 2.82Å; S151-Y153 VanDerWaalsContact O-N 3.08Å; Y153-V218 HydrophobicContact CD1-CG1 3.95Å; Y153-V218 HydrophobicContact CD2-CG1 3.3Å; Y153-V218 HydrophobicContact CE1-CG1 4.07Å; Y153-V218 HydrophobicContact CE2-CG1 3.44Å; Y153-V218 VanDerWaalsContact CE2-CG1 3.44Å; Y153-V218 HydrophobicContact CG-CG1 3.58Å
154K95.5Very high96.4Very high72 Ų7264.4 Ų64.431%0.31332%0.316SS..Hα-helixtrans-104-55.2-178-66.1-62.1-170.8-1780112.6Y140 I148 S151 P152 R156 K157Y140-K154 HydrophobicContact CD2-CG 3.88Å; Y140-K154 HydrophobicContact CE2-CD 4.5Å; Y140-K154 HydrophobicContact CE2-CG 3.94Å; I148-K154 HydrophobicContact CD1-CB 3.94Å; I148-K154 HydrophobicContact CD1-CG 3.86Å; I148-K154 HydrophobicContact CG2-CB 4.31Å; S151-K154 WeakPolarHBondContact O-CA 3.36Å; S151-K154 PolarHBondContact O-N 2.72Å; P152-K154 PolarHBondContact O-N 3.48Å; K154-R156 PolarHBondContact O-N 3.32Å; K154-R156 VanDerWaalsContact O-N 3.15Å; K154-K157 PolarHBondContact O-N 3.39Å
155F96.5Very high96.4Very high4 Ų461.9 Ų61.92%0.01830%0.302CS..Hα-helixtrans-64.1-26.8-169.966.9-117.3000113.3D149 S151 P152 K157 L158 G160 Q161 V165 V167D149-F155 WeakPolarHBondContact O-CD1 3.29Å; D149-F155 WeakPolarHBondContact O-CE1 3.2Å; S151-F155 VanDerWaalsContact C-CE1 3.48Å; S151-F155 WeakPolarHBondContact O-CD1 3.39Å; S151-F155 PolarHBondContact O-N 2.7Å; P152-F155 VanDerWaalsContact CA-CZ 3.44Å; P152-F155 HydrophobicContact CB-CE1 3.92Å; P152-F155 HydrophobicContact CB-CE2 4.34Å; P152-F155 HydrophobicContact CB-CZ 3.7Å; P152-F155 HydrophobicContact CG-CE1 3.62Å; P152-F155 HydrophobicContact CG-CZ 3.64Å; F155-K157 PolarHBondContact O-N 2.64Å; F155-L158 CarbonylContact O-C 3.47Å; F155-L158 PolarHBondContact O-N 2.95Å; F155-G160 WeakPolarHBondContact O-CA 3.45Å; F155-G160 PolarHBondContact O-N 3.02Å; F155-Q161 HydrophobicContact CD2-CB 4.19Å; F155-Q161 HydrophobicContact CE2-CB 3.67Å; F155-Q161 HydrophobicContact CE2-CG 4.22Å; F155-Q161 HydrophobicContact CZ-CB 4.14Å; F155-Q161 HydrophobicContact CZ-CG 4.19Å; F155-V165 HydrophobicContact CE1-CG1 4.28Å; F155-V167 HydrophobicContact CZ-CG2 3.84Å
156R95.4Very high96.5Very high126 Ų12654.5 Ų54.548%0.47527%0.27SS..THydrogen-bonded Turntrans-64.6-20.4174.7-70.9-177.6174.1174.90.6113.4D137 P152 K154D137-R156 VanDerWaalsContact CG-CZ 3.49Å; D137-R156 IonicContact OD1-CZ 2.79Å; D137-R156 IonicContact OD1-NE 3.36Å; D137-R156 IonicContact OD1-NH1 2.83Å; D137-R156 PolarHBondContact OD1-NH1 3.48Å; D137-R156 IonicContact OD1-NH2 3.78Å; D137-R156 PolarHBondContact OD1-NH2 2.94Å; D137-R156 IonicContact OD2-CZ 2.8Å; D137-R156 VanDerWaalsContact OD2-CZ 3.28Å; D137-R156 IonicContact OD2-NH1 2.72Å; D137-R156 PolarHBondContact OD2-NH1 3.4Å; D137-R156 IonicContact OD2-NH2 3.08Å; D137-R156 PolarHBondContact OD2-NH2 3.35Å; P152-R156 WeakPolarHBondContact O-CB 3.4Å; P152-R156 VanDerWaalsContact O-CG 3.3Å; P152-R156 WeakPolarHBondContact O-CG 3.46Å; K154-R156 PolarHBondContact O-N 3.32Å; K154-R156 VanDerWaalsContact O-N 3.15Å
157K92.9Very high96.6Very high146 Ų14654.6 Ų54.664%0.63527%0.27SS*.THydrogen-bonded Turntrans-97.35.8174.3-55.2-177.9-177.3-176.30112.3K154 F155K154-K157 PolarHBondContact O-N 3.39Å; F155-K157 PolarHBondContact O-N 2.64Å
158L93.4Very high96.6Very high122 Ų12254.6 Ų54.664%0.63927%0.27SS*.THydrogen-bonded Turntrans-129.9-131.9-175.6-61.9173.9000109.7I148 F155 G160I148-L158 HydrophobicContact CG2-CD1 3.65Å; F155-L158 CarbonylContact O-C 3.47Å; F155-L158 PolarHBondContact O-N 2.95Å; L158-G160 PolarHBondContact O-N 3.15Å
159A90.8Very high96.6Very high90 Ų9054.9 Ų54.974%0.74427%0.274SS*.THydrogen-bonded Turntrans-783.5-175.700000114.6
160G94.8Very high96.6Very high27 Ų2754.5 Ų54.528%0.27827%0.272SS..  trans80.9-175.9-17700000114.1F155 L158F155-G160 WeakPolarHBondContact O-CA 3.45Å; F155-G160 PolarHBondContact O-N 3.02Å; L158-G160 PolarHBondContact O-N 3.15Å
161Q97.3Very high96.6Very high102 Ų10254.5 Ų54.548%0.47727%0.272SS..  trans-70.7136.4-176.7-175.6177.6-25.400111.2F155 V165F155-Q161 HydrophobicContact CD2-CB 4.19Å; F155-Q161 HydrophobicContact CE2-CB 3.67Å; F155-Q161 HydrophobicContact CE2-CG 4.22Å; F155-Q161 HydrophobicContact CZ-CB 4.14Å; F155-Q161 HydrophobicContact CZ-CG 4.19Å; Q161-V165 HydrophobicContact CG-CB 4.33Å; Q161-V165 HydrophobicContact CG-CG1 4.48Å; Q161-V165 WeakPolarHBondContact CG-O 3.21Å; Q161-V165 PolarHBondContact NE2-O 3.08Å
162K97.6Very high96.5Very high73 Ų7355.3 Ų55.332%0.31728%0.276SS..  trans-78.9155172.1-56.6-57.8-177.1-174.70110.9D149 W164 V165D149-K162 HydrophobicContact CB-CG 3.91Å; D149-K162 VanDerWaalsContact CG-CE 3.49Å; D149-K162 WeakPolarHBondContact OD1-CE 3.24Å; K162-W164 VanDerWaalsContact C-N 3.27Å; K162-W164 HydrophobicContact CB-CG 4.4Å; K162-W164 PolarHBondContact O-N 2.93Å; K162-V165 HydrophobicContact CB-CB 4.47Å; K162-V165 HydrophobicContact CB-CG2 4.04Å; K162-V165 PolarHBondContact O-N 3.3Å
163E96.9Very high96.5Very high146 Ų14657.4 Ų57.468%0.68229%0.289SS*.THydrogen-bonded Turntrans-59.4-36.1-179-166.8-166.6155.700113.4V165 H166 R205E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 3.4Å; E163-H166 PolarHBondContact O-CE1 3.24Å; E163-R205 VanDerWaalsContact CD-NH1 3.28Å; E163-R205 IonicContact OE1-CZ 2.71Å; E163-R205 IonicContact OE1-NH1 3.87Å; E163-R205 PolarHBondContact OE1-NH1 2.98Å; E163-R205 IonicContact OE2-NH1 2.72Å
164W97.8Very high96.6Very high58 Ų5855.4 Ų55.422%0.2228%0.281CS..THydrogen-bonded Turntrans-82.2-2.6179.861.4-94.4000113.6D132 V133 D149 I150 K162D132-W164 CarbonylContact C-O 3.58Å; D132-W164 WeakPolarHBondContact CA-O 3.32Å; V133-W164 HydrophobicContact CB-CE3 4.45Å; V133-W164 HydrophobicContact CB-CZ3 4.24Å; V133-W164 HydrophobicContact CG2-CE3 4.14Å; V133-W164 HydrophobicContact CG2-CZ3 3.82Å; V133-W164 PolarHBondContact N-O 2.76Å; D149-W164 HydrophobicContact CB-CH2 4.14Å; D149-W164 HydrophobicContact CB-CZ2 3.75Å; I150-W164 HydrophobicContact CG2-CH2 3.51Å; I150-W164 HydrophobicContact CG2-CZ3 3.48Å; I150-W164 VanDerWaalsContact CG2-CZ3 3.48Å; K162-W164 VanDerWaalsContact C-N 3.27Å; K162-W164 HydrophobicContact CB-CG 4.4Å; K162-W164 PolarHBondContact O-N 2.93Å
165V98.4Very high96.5Very high0 Ų053.7 Ų53.70%027%0.273CS..EExtended strand (participates in β ladder)trans-105.9131.4179179.10000108.9V135 I150 F155 Q161 K162 E163V135-V165 HydrophobicContact CG2-CG1 4.23Å; I150-V165 HydrophobicContact CG2-CG2 3.89Å; F155-V165 HydrophobicContact CE1-CG1 4.28Å; Q161-V165 HydrophobicContact CG-CB 4.33Å; Q161-V165 HydrophobicContact CG-CG1 4.48Å; Q161-V165 WeakPolarHBondContact CG-O 3.21Å; Q161-V165 PolarHBondContact NE2-O 3.08Å; K162-V165 HydrophobicContact CB-CB 4.47Å; K162-V165 HydrophobicContact CB-CG2 4.04Å; K162-V165 PolarHBondContact O-N 3.3Å; E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 3.4Å
166H98.6Very high96.4Very high20 Ų2054.4 Ų54.49%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-124.8135-178.3-54.4-78.8000109.9D132 V133 V134 V135 E163 L196 I200D132-H166 IonicContact OD2-CD2 3.38Å; D132-H166 IonicContact OD2-CE1 2.84Å; D132-H166 IonicContact OD2-NE2 2.81Å; D132-H166 PolarHBondContact OD2-NE2 3.41Å; V133-H166 PolarHBondContact O-N 2.92Å; V134-H166 CarbonylContact C-O 3.57Å; V134-H166 WeakPolarHBondContact CA-O 3.4Å; V134-H166 HydrophobicContact CG2-CB 4.2Å; V135-H166 PolarHBondContact N-O 3.4Å; E163-H166 PolarHBondContact O-CE1 3.24Å; H166-L196 HydrophobicContact CB-CD1 4.22Å; H166-L196 HydrophobicContact CB-CD2 3.92Å; H166-L196 HydrophobicContact CB-CG 4.16Å; H166-I200 HydrophobicContact CB-CD1 3.83Å; H166-I200 WeakPolarHBondContact CD2-CD1 3.46Å
167V98.6Very high96.4Very high29 Ų2953.4 Ų53.418%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-111.7115.2-172.8-174.20000109.9V135 D137 P152 F155V135-V167 HydrophobicContact CG2-CG2 4.3Å; V135-V167 WeakPolarHBondContact O-CA 3.24Å; D137-V167 HydrophobicContact CB-CG1 3.81Å; P152-V167 HydrophobicContact CG-CG1 4.11Å; P152-V167 HydrophobicContact CG-CG2 4.03Å; F155-V167 HydrophobicContact CZ-CG2 3.84Å
168A98.6Very high96.6Very high1 Ų149.9 Ų49.91%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-84.914816900000110.4V134 V135 L136 D137 V193 L196V134-A168 HydrophobicContact CG1-CB 4.15Å; V135-A168 PolarHBondContact O-N 2.84Å; L136-A168 CarbonylContact C-O 3.55Å; L136-A168 HydrophobicContact CD2-CB 4.2Å; D137-A168 PolarHBondContact N-O 3.03Å; A168-V193 HydrophobicContact CB-CG2 3.79Å; A168-L196 HydrophobicContact CB-CD2 4.29Å
169P98.1Very high96.7Very high41 Ų4148.4 Ų48.427%0.26625%0.253SS..PPolyproline II helixtrans-62141176.327-34.3000111P171 I177 Y189 T192P169-P171 VanDerWaalsContact O-CD 3.31Å; P169-P171 WeakPolarHBondContact O-CD 3.36Å; P169-I177 HydrophobicContact CB-CD1 4.17Å; P169-I177 HydrophobicContact CG-CD1 3.87Å; P169-Y189 HydrophobicContact CB-CE1 4.24Å; P169-Y189 HydrophobicContact CG-CD1 4.16Å; P169-Y189 HydrophobicContact CG-CE1 4.3Å; P169-T192 WeakPolarHBondContact CD-OG1 3.33Å; P169-T192 HydrophobicContact CG-CG2 4.15Å; P169-T192 WeakPolarHBondContact CG-OG1 3.49Å
170L97.9Very high96.8Very high18 Ų1852.2 Ų52.29%0.09426%0.256CS..PPolyproline II helixtrans-63.1125.9173.4-178.560.5000109.9D137 H138 D172 Y189 P216 I222D137-L170 HydrophobicContact CB-CB 4.3Å; H138-L170 HydrophobicContact CB-CD2 4.43Å; L170-D172 HydrophobicContact CG-CB 4.43Å; L170-D172 PolarHBondContact O-N 3.25Å; L170-Y189 WeakPolarHBondContact O-CE1 3.41Å; L170-P216 HydrophobicContact CD1-CB 3.81Å; L170-P216 HydrophobicContact CD1-CG 3.66Å; L170-I222 HydrophobicContact CD1-CG1 4.49Å; L170-I222 HydrophobicContact CD2-CG1 3.98Å; L170-I222 HydrophobicContact CG-CG1 4.4Å
171P97.7Very high96.8Very high0 Ų057.9 Ų57.90%028%0.275CS..  trans-72.659.6177.8-20.534.8000114.2L136 P169 Y189 L224 P225 Y228L136-P171 HydrophobicContact CD2-CG 4.36Å; P169-P171 VanDerWaalsContact O-CD 3.31Å; P169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-Y189 HydrophobicContact CB-CD1 4.06Å; P171-Y189 HydrophobicContact CB-CD2 3.75Å; P171-Y189 HydrophobicContact CB-CE1 4.4Å; P171-Y189 HydrophobicContact CB-CE2 4.11Å; P171-Y189 HydrophobicContact CB-CG 3.73Å; P171-Y189 HydrophobicContact CG-CD1 4.11Å; P171-Y189 HydrophobicContact CG-CG 4.04Å; P171-L224 HydrophobicContact CB-CD2 3.9Å; P171-L224 HydrophobicContact CG-CD2 3.99Å; P171-P225 HydrophobicContact CB-CG 4.01Å; P171-P225 WeakPolarHBondContact O-CD 3.33Å; P171-Y228 HydrophobicContact CG-CD1 4.02Å; P171-Y228 HydrophobicContact CG-CD2 4.17Å; P171-Y228 HydrophobicContact CG-CE1 3.62Å; P171-Y228 HydrophobicContact CG-CE2 3.76Å; P171-Y228 HydrophobicContact CG-CG 4.29Å; P171-Y228 VanDerWaalsContact CG-CZ 3.48Å
172D97.4Very high96.8Very high17 Ų1756.1 Ų56.19%0.09127%0.267CS..  trans-87.5107.3177176.81000110.5L170 Y174 R175 G176 Y189 I222L170-D172 HydrophobicContact CG-CB 4.43Å; L170-D172 PolarHBondContact O-N 3.25Å; D172-Y174 PolarHBondContact O-N 3.48Å; D172-Y174 WeakPolarHBondContact OD1-CA 3.12Å; D172-Y174 WeakPolarHBondContact OD1-CB 3.28Å; D172-Y174 PolarHBondContact OD1-N 3.39Å; D172-R175 PolarHBondContact OD1-N 3.49Å; D172-R175 WeakPolarHBondContact OD2-CB 3.42Å; D172-R175 PolarHBondContact OD2-N 3.3Å; D172-G176 WeakPolarHBondContact O-CA 3.47Å; D172-G176 PolarHBondContact O-N 2.68Å; D172-Y189 PolarHBondContact O-OH 2.71Å; D172-I222 HydrophobicContact CB-CD1 4.27Å; D172-I222 HydrophobicContact CB-CG2 4.48Å
173T97.1Very high96.7Very high44 Ų4458.7 Ų58.727%0.2729%0.291SS..THydrogen-bonded Turntrans-75.1-10.2178.955.60000113.8R179 E180 P185 P225T173-R179 CarbonylContact O-C 3.55Å; T173-R179 VanDerWaalsContact O-CA 3.23Å; T173-R179 WeakPolarHBondContact O-CA 3.33Å; T173-R179 WeakPolarHBondContact O-CB 3.36Å; T173-E180 PolarHBondContact O-N 2.79Å; T173-P185 HydrophobicContact CG2-CB 4.15Å; T173-P185 HydrophobicContact CG2-CG 4.18Å; T173-P225 HydrophobicContact CG2-CB 4.09Å; T173-P225 HydrophobicContact CG2-CG 4.34Å
174Y96.8Very high96.7Very high28 Ų2855.3 Ų55.311%0.1128%0.277CS..THydrogen-bonded Turntrans-84-48.2172.8178-122.7000110.9D172 G358 D359 E370 K378D172-Y174 PolarHBondContact O-N 3.48Å; D172-Y174 WeakPolarHBondContact OD1-CA 3.12Å; D172-Y174 WeakPolarHBondContact OD1-CB 3.28Å; D172-Y174 PolarHBondContact OD1-N 3.39Å; Y174-G358 WeakPolarHBondContact OH-CA 3.47Å; Y174-D359 HydrophobicContact CD1-CB 3.92Å; Y174-D359 HydrophobicContact CD2-CB 3.91Å; Y174-D359 HydrophobicContact CE1-CB 3.94Å; Y174-D359 HydrophobicContact CE2-CB 3.91Å; Y174-D359 HydrophobicContact CG-CB 3.94Å; Y174-E370 WeakPolarHBondContact CD1-OE2 3.43Å; Y174-E370 HydrophobicContact CE1-CG 4.33Å; Y174-E370 WeakPolarHBondContact CE1-OE2 3.28Å; Y174-K378 HydrophobicContact CD2-CD 4.29Å; Y174-K378 HydrophobicContact CE1-CD 4.14Å; Y174-K378 HydrophobicContact CE1-CG 4.46Å; Y174-K378 HydrophobicContact CE2-CD 3.79Å; Y174-K378 HydrophobicContact CE2-CG 4.28Å; Y174-K378 PolarHBondContact O-NZ 2.95Å
175R93.3Very high96.7Very high36 Ų3653.7 Ų53.714%0.13627%0.274CS..THydrogen-bonded Turntrans-116-23.6-174.5-63.1176167.4-82.4-1.5116.3D172 R179 E370 V372 K378D172-R175 PolarHBondContact OD1-N 3.49Å; D172-R175 WeakPolarHBondContact OD2-CB 3.42Å; D172-R175 PolarHBondContact OD2-N 3.3Å; R175-R179 PolarHBondContact O-NE 3.38Å; R175-R179 PolarHBondContact O-NH2 2.78Å; R175-E370 IonicContact CZ-OE1 3.64Å; R175-E370 IonicContact NE-OE1 3.09Å; R175-E370 PolarHBondContact NE-OE1 2.98Å; R175-E370 IonicContact NE-OE2 3.29Å; R175-E370 IonicContact NH2-OE1 3.26Å; R175-E370 PolarHBondContact NH2-OE1 2.82Å; R175-V372 VanDerWaalsContact NH2-CG1 3.26Å; R175-K378 HydrophobicContact CG-CD 4.34Å; R175-K378 VanDerWaalsContact NH1-CB 3.3Å; R175-K378 PolarHBondContact NH1-O 2.92Å; R175-K378 PolarHBondContact NH2-O 3.24Å
176G94.6Very high96.7Very high19 Ų1953.8 Ų53.820%0.19628%0.275CS..SBendtrans-68.2-175-168.200000113.5D172 Y178 R179 Y189D172-G176 WeakPolarHBondContact O-CA 3.47Å; D172-G176 PolarHBondContact O-N 2.68Å; G176-Y178 VanDerWaalsContact C-N 3.29Å; G176-Y178 PolarHBondContact O-N 3.31Å; G176-R179 WeakPolarHBondContact O-CG 3.45Å; G176-R179 PolarHBondContact O-NE 3.19Å; G176-Y189 VanDerWaalsContact CA-OH 3.22Å; G176-Y189 WeakPolarHBondContact CA-OH 3.32Å
177I96.3Very high96.6Very high105 Ų10555.7 Ų55.754%0.53828%0.284SS..SBendtrans-65.1-30.1-175.555.5170.7000113.2P169 Y189 T192P169-I177 HydrophobicContact CB-CD1 4.17Å; P169-I177 HydrophobicContact CG-CD1 3.87Å; I177-Y189 HydrophobicContact CD1-CD1 4.37Å; I177-Y189 HydrophobicContact CD1-CE1 3.97Å; I177-Y189 HydrophobicContact CG1-CD1 4.28Å; I177-Y189 HydrophobicContact CG1-CE1 3.47Å; I177-Y189 VanDerWaalsContact CG1-CE1 3.47Å; I177-Y189 PolarHBondContact N-OH 3.38Å; I177-Y189 VanDerWaalsContact N-OH 3.08Å; I177-T192 HydrophobicContact CD1-CG2 3.94Å
178Y97.6Very high96.6Very high71 Ų7154.6 Ų54.628%0.27828%0.278SS..SBendtrans-121.5102.6175.8-53.6-65000109.3G176 H182 A188 Y189 T192G176-Y178 VanDerWaalsContact C-N 3.29Å; G176-Y178 PolarHBondContact O-N 3.31Å; Y178-H182 AromaticContact CD1-CD2 3.61Å; Y178-H182 AromaticContact CD1-NE2 3.83Å; Y178-A188 HydrophobicContact CD1-CB 3.77Å; Y178-A188 HydrophobicContact CD2-CB 3.46Å; Y178-A188 VanDerWaalsContact CD2-CB 3.46Å; Y178-A188 HydrophobicContact CE1-CB 3.85Å; Y178-A188 HydrophobicContact CE2-CB 3.54Å; Y178-A188 VanDerWaalsContact CE2-O 3.26Å; Y178-A188 WeakPolarHBondContact CE2-O 3.38Å; Y178-A188 HydrophobicContact CG-CB 3.57Å; Y178-Y189 HydrophobicContact CD2-CD1 4.07Å; Y178-Y189 AromaticContact CD2-CD2 3.96Å; Y178-Y189 HydrophobicContact CD2-CD2 3.96Å; Y178-Y189 HydrophobicContact CD2-CE1 4.16Å; Y178-Y189 HydrophobicContact CD2-CE2 4.05Å; Y178-Y189 AromaticContact CD2-CG 3.96Å; Y178-Y189 HydrophobicContact CD2-CG 3.96Å; Y178-Y189 HydrophobicContact CG-CE2 4.36Å; Y178-Y189 PolarHBondContact N-OH 3.14Å; Y178-Y189 VanDerWaalsContact O-CE2 3.24Å; Y178-Y189 WeakPolarHBondContact O-CE2 3.14Å; Y178-T192 HydrophobicContact CE2-CG2 3.85Å
179R95.6Very high96.6Very high92 Ų9254.5 Ų54.535%0.34728%0.277SS..  trans-92.2-178.4-173.1-63.3175.8-175.8177.5-2.1111.7T173 R175 G176 E181 H182T173-R179 CarbonylContact O-C 3.55Å; T173-R179 VanDerWaalsContact O-CA 3.23Å; T173-R179 WeakPolarHBondContact O-CA 3.33Å; T173-R179 WeakPolarHBondContact O-CB 3.36Å; R175-R179 PolarHBondContact O-NE 3.38Å; R175-R179 PolarHBondContact O-NH2 2.78Å; G176-R179 WeakPolarHBondContact O-CG 3.45Å; G176-R179 PolarHBondContact O-NE 3.19Å; R179-E181 VanDerWaalsContact CB-CD 3.45Å; R179-E181 WeakPolarHBondContact CB-OE1 3.27Å; R179-E181 WeakPolarHBondContact CB-OE2 3.25Å; R179-E181 PolarHBondContact O-N 3.47Å; R179-E181 VanDerWaalsContact O-N 3.15Å; R179-H182 WeakPolarHBondContact O-CB 3.29Å; R179-H182 PolarHBondContact O-N 3.44Å
180E91.4Very high96.7Very high169 Ų16952.6 Ų52.679%0.7927%0.265SS*.THydrogen-bonded Turntrans-54.1-30.2-179.2-168.3171-157.500113.6T173 H182T173-E180 PolarHBondContact O-N 2.79Å; E180-H182 VanDerWaalsContact C-N 3.27Å; E180-H182 PolarHBondContact O-N 2.88Å
181E94.5Very high96.7Very high147 Ų14754 Ų5469%0.68727%0.273SS*.THydrogen-bonded Turntrans-72.3-13.9175.264.4-89.1-159.500114.7R179R179-E181 VanDerWaalsContact CB-CD 3.45Å; R179-E181 WeakPolarHBondContact CB-OE1 3.27Å; R179-E181 WeakPolarHBondContact CB-OE2 3.25Å; R179-E181 PolarHBondContact O-N 3.47Å; R179-E181 VanDerWaalsContact O-N 3.15Å
182H97.4Very high96.7Very high65 Ų6555.2 Ų55.230%0.30128%0.28SS..SBendtrans-69.6136.4177.3-168.8-87.2000109.8Y178 R179 E180 N184 P185 A188Y178-H182 AromaticContact CD1-CD2 3.61Å; Y178-H182 AromaticContact CD1-NE2 3.83Å; R179-H182 WeakPolarHBondContact O-CB 3.29Å; R179-H182 PolarHBondContact O-N 3.44Å; E180-H182 VanDerWaalsContact C-N 3.27Å; E180-H182 PolarHBondContact O-N 2.88Å; H182-N184 PolarHBondContact CE1-O 3.25Å; H182-N184 PolarHBondContact ND1-N 2.68Å; H182-N184 VanDerWaalsContact ND1-N 3.2Å; H182-N184 PolarHBondContact ND1-O 3.19Å; H182-N184 PolarHBondContact O-N 3.02Å; H182-P185 HydrophobicContact CB-CB 4.41Å; H182-P185 WeakPolarHBondContact O-CD 3.39Å; H182-A188 VanDerWaalsContact CE1-CB 3.47Å; H182-A188 WeakPolarHBondContact CE1-CB 3.47Å
183P96.8Very high96.8Very high127 Ų12754.4 Ų54.483%0.82528%0.276SS*.SBendtrans-65-26.9-174.823.8-35000114
184N97.3Very high96.9Very high74 Ų7456.1 Ų56.140%0.39628%0.279SS..  trans-15175.6176.8-165.7-27.7000111.3H182 G186 Q187 A188H182-N184 PolarHBondContact CE1-O 3.25Å; H182-N184 PolarHBondContact ND1-N 2.68Å; H182-N184 VanDerWaalsContact ND1-N 3.2Å; H182-N184 PolarHBondContact ND1-O 3.19Å; H182-N184 PolarHBondContact O-N 3.02Å; N184-G186 PolarHBondContact O-N 3.01Å; N184-Q187 HydrophobicContact CB-CB 4.24Å; N184-Q187 PolarHBondContact O-N 3.34Å; N184-Q187 WeakPolarHBondContact OD1-CB 3.49Å; N184-Q187 PolarHBondContact OD1-N 3.42Å; N184-A188 PolarHBondContact O-N 3.12Å; N184-A188 VanDerWaalsContact O-N 3.17Å
185P97.6Very high97Very high25 Ų2559.9 Ų59.916%0.16230%0.298CS..Hα-helixtrans-62.8-32.5-176.724.8-32.8000111.7T173 H182 Q187 A188 Y189 P225T173-P185 HydrophobicContact CG2-CB 4.15Å; T173-P185 HydrophobicContact CG2-CG 4.18Å; H182-P185 HydrophobicContact CB-CB 4.41Å; H182-P185 WeakPolarHBondContact O-CD 3.39Å; P185-Q187 PolarHBondContact O-N 2.9Å; P185-A188 PolarHBondContact O-N 3.06Å; P185-Y189 HydrophobicContact CB-CD2 4.46Å; P185-Y189 VanDerWaalsContact O-CD2 3.24Å; P185-Y189 WeakPolarHBondContact O-CD2 3.32Å; P185-Y189 PolarHBondContact O-N 3.03Å; P185-P225 HydrophobicContact CB-CB 4.19Å; P185-P225 HydrophobicContact CB-CG 4.44Å; P185-P225 HydrophobicContact CG-CB 3.93Å
186G97.2Very high97.2Very high1 Ų160 Ų601%0.0130%0.301CS..Hα-helixtrans-60.4-44.9177.100000113.4N184 A190N184-G186 PolarHBondContact O-N 3.01Å; G186-A190 WeakPolarHBondContact O-CB 3.46Å; G186-A190 PolarHBondContact O-N 3.45Å
187Q97.9Very high97.4Very high60 Ų6059.4 Ų59.428%0.2829%0.293SS..Hα-helixtrans-62.6-51.6171.7-174.963.658.600111.3N184 P185 Y189 A190 D191 K231N184-Q187 HydrophobicContact CB-CB 4.24Å; N184-Q187 PolarHBondContact O-N 3.34Å; N184-Q187 WeakPolarHBondContact OD1-CB 3.49Å; N184-Q187 PolarHBondContact OD1-N 3.42Å; P185-Q187 PolarHBondContact O-N 2.9Å; Q187-Y189 VanDerWaalsContact C-N 3.3Å; Q187-Y189 PolarHBondContact O-N 3.14Å; Q187-A190 CarbonylContact O-C 3.57Å; Q187-A190 WeakPolarHBondContact O-CA 3.47Å; Q187-A190 WeakPolarHBondContact O-CB 3.25Å; Q187-A190 PolarHBondContact O-N 2.78Å; Q187-D191 WeakPolarHBondContact CG-OD2 3.06Å; Q187-D191 PolarHBondContact NE2-OD1 2.77Å; Q187-D191 PolarHBondContact O-N 3.34Å; Q187-K231 HydrophobicContact CB-CD 4.32Å; Q187-K231 VanDerWaalsContact CB-NZ 3.32Å
188A98.4Very high97.5Very high6 Ų658 Ų585%0.0529%0.285CS..Hα-helixtrans-62.5-39.2-170.400000111.9Y178 H182 N184 P185 D191 T192Y178-A188 HydrophobicContact CD1-CB 3.77Å; Y178-A188 HydrophobicContact CD2-CB 3.46Å; Y178-A188 VanDerWaalsContact CD2-CB 3.46Å; Y178-A188 HydrophobicContact CE1-CB 3.85Å; Y178-A188 HydrophobicContact CE2-CB 3.54Å; Y178-A188 VanDerWaalsContact CE2-O 3.26Å; Y178-A188 WeakPolarHBondContact CE2-O 3.38Å; Y178-A188 HydrophobicContact CG-CB 3.57Å; H182-A188 VanDerWaalsContact CE1-CB 3.47Å; H182-A188 WeakPolarHBondContact CE1-CB 3.47Å; N184-A188 PolarHBondContact O-N 3.12Å; N184-A188 VanDerWaalsContact O-N 3.17Å; P185-A188 PolarHBondContact O-N 3.06Å; A188-D191 PolarHBondContact O-N 3.44Å; A188-T192 WeakPolarHBondContact O-CG2 3.45Å; A188-T192 PolarHBondContact O-N 2.92Å
189Y98.6Very high97.6Very high0 Ų058.9 Ų58.90%029%0.291CS..Hα-helixtrans-66.6-41.3171-83-69.2000112.8P169 L170 P171 D172 G176 I177 Y178 P185 Q187 D191 T192 V193 P225P169-Y189 HydrophobicContact CB-CE1 4.24Å; P169-Y189 HydrophobicContact CG-CD1 4.16Å; P169-Y189 HydrophobicContact CG-CE1 4.3Å; L170-Y189 WeakPolarHBondContact O-CE1 3.41Å; P171-Y189 HydrophobicContact CB-CD1 4.06Å; P171-Y189 HydrophobicContact CB-CD2 3.75Å; P171-Y189 HydrophobicContact CB-CE1 4.4Å; P171-Y189 HydrophobicContact CB-CE2 4.11Å; P171-Y189 HydrophobicContact CB-CG 3.73Å; P171-Y189 HydrophobicContact CG-CD1 4.11Å; P171-Y189 HydrophobicContact CG-CG 4.04Å; D172-Y189 PolarHBondContact O-OH 2.71Å; G176-Y189 VanDerWaalsContact CA-OH 3.22Å; G176-Y189 WeakPolarHBondContact CA-OH 3.32Å; I177-Y189 HydrophobicContact CD1-CD1 4.37Å; I177-Y189 HydrophobicContact CD1-CE1 3.97Å; I177-Y189 HydrophobicContact CG1-CD1 4.28Å; I177-Y189 HydrophobicContact CG1-CE1 3.47Å; I177-Y189 VanDerWaalsContact CG1-CE1 3.47Å; I177-Y189 PolarHBondContact N-OH 3.38Å; I177-Y189 VanDerWaalsContact N-OH 3.08Å; Y178-Y189 HydrophobicContact CD2-CD1 4.07Å; Y178-Y189 AromaticContact CD2-CD2 3.96Å; Y178-Y189 HydrophobicContact CD2-CD2 3.96Å; Y178-Y189 HydrophobicContact CD2-CE1 4.16Å; Y178-Y189 HydrophobicContact CD2-CE2 4.05Å; Y178-Y189 AromaticContact CD2-CG 3.96Å; Y178-Y189 HydrophobicContact CD2-CG 3.96Å; Y178-Y189 HydrophobicContact CG-CE2 4.36Å; Y178-Y189 PolarHBondContact N-OH 3.14Å; Y178-Y189 VanDerWaalsContact O-CE2 3.24Å; Y178-Y189 WeakPolarHBondContact O-CE2 3.14Å; P185-Y189 HydrophobicContact CB-CD2 4.46Å; P185-Y189 VanDerWaalsContact O-CD2 3.24Å; P185-Y189 WeakPolarHBondContact O-CD2 3.32Å; P185-Y189 PolarHBondContact O-N 3.03Å; Q187-Y189 VanDerWaalsContact C-N 3.3Å; Q187-Y189 PolarHBondContact O-N 3.14Å; Y189-D191 VanDerWaalsContact C-N 3.28Å; Y189-D191 PolarHBondContact O-N 3.42Å; Y189-T192 WeakPolarHBondContact O-CB 3.39Å; Y189-T192 PolarHBondContact O-N 3.26Å; Y189-T192 VanDerWaalsContact O-N 3.14Å; Y189-T192 PolarHBondContact O-OG1 2.87Å; Y189-V193 PolarHBondContact O-N 2.92Å; Y189-P225 HydrophobicContact CD2-CG 4.24Å
190A98.6Very high97.7Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-62.4-36.4176.700000112.2G186 Q187 T192 V193 K194 Y228 K231 V232G186-A190 WeakPolarHBondContact O-CB 3.46Å; G186-A190 PolarHBondContact O-N 3.45Å; Q187-A190 CarbonylContact O-C 3.57Å; Q187-A190 WeakPolarHBondContact O-CA 3.47Å; Q187-A190 WeakPolarHBondContact O-CB 3.25Å; Q187-A190 PolarHBondContact O-N 2.78Å; A190-T192 VanDerWaalsContact C-N 3.27Å; A190-T192 PolarHBondContact O-N 3.31Å; A190-V193 WeakPolarHBondContact O-CA 3.4Å; A190-V193 WeakPolarHBondContact O-CB 3.33Å; A190-V193 PolarHBondContact O-N 2.93Å; A190-K194 PolarHBondContact O-N 2.69Å; A190-Y228 HydrophobicContact CB-CD2 4.16Å; A190-Y228 HydrophobicContact CB-CE2 4.42Å; A190-K231 HydrophobicContact CB-CB 3.46Å; A190-K231 VanDerWaalsContact CB-CB 3.46Å; A190-K231 HydrophobicContact CB-CD 4.28Å; A190-V232 HydrophobicContact CB-CG2 3.91Å
191D98.6Very high98Very high49 Ų4949.8 Ų49.826%0.26226%0.255SS..Hα-helixtrans-63.7-31.8175.2-67.3-25000112.1Q187 A188 Y189 V193 K194 H195Q187-D191 WeakPolarHBondContact CG-OD2 3.06Å; Q187-D191 PolarHBondContact NE2-OD1 2.77Å; Q187-D191 PolarHBondContact O-N 3.34Å; A188-D191 PolarHBondContact O-N 3.44Å; Y189-D191 VanDerWaalsContact C-N 3.28Å; Y189-D191 PolarHBondContact O-N 3.42Å; D191-V193 VanDerWaalsContact C-N 3.3Å; D191-V193 PolarHBondContact O-N 2.82Å; D191-K194 WeakPolarHBondContact O-CB 3.48Å; D191-K194 PolarHBondContact O-N 2.77Å; D191-H195 VanDerWaalsContact O-CG 3.26Å; D191-H195 PolarHBondContact O-N 3.07Å; D191-H195 PolarHBondContact O-ND1 2.87Å
192T98.6Very high98.1Very high25 Ų2549.9 Ų49.915%0.15325%0.253CS..Hα-helixtrans-64.6-36.9172.470.80000112.2P169 I177 Y178 A188 Y189 A190 L196P169-T192 WeakPolarHBondContact CD-OG1 3.33Å; P169-T192 HydrophobicContact CG-CG2 4.15Å; P169-T192 WeakPolarHBondContact CG-OG1 3.49Å; I177-T192 HydrophobicContact CD1-CG2 3.94Å; Y178-T192 HydrophobicContact CE2-CG2 3.85Å; A188-T192 WeakPolarHBondContact O-CG2 3.45Å; A188-T192 PolarHBondContact O-N 2.92Å; Y189-T192 WeakPolarHBondContact O-CB 3.39Å; Y189-T192 PolarHBondContact O-N 3.26Å; Y189-T192 VanDerWaalsContact O-N 3.14Å; Y189-T192 PolarHBondContact O-OG1 2.87Å; A190-T192 VanDerWaalsContact C-N 3.27Å; A190-T192 PolarHBondContact O-N 3.31Å; T192-L196 WeakPolarHBondContact O-CB 3.27Å; T192-L196 PolarHBondContact O-N 2.91Å
193V98.8Very high98.1Very high0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-67.9-42.9174.3-179.10000109.9V134 A168 Y189 A190 D191 H195 L196 I197 F210 Y228 V232V134-V193 HydrophobicContact CG1-CG1 4.36Å; A168-V193 HydrophobicContact CB-CG2 3.79Å; Y189-V193 PolarHBondContact O-N 2.92Å; A190-V193 WeakPolarHBondContact O-CA 3.4Å; A190-V193 WeakPolarHBondContact O-CB 3.33Å; A190-V193 PolarHBondContact O-N 2.93Å; D191-V193 VanDerWaalsContact C-N 3.3Å; D191-V193 PolarHBondContact O-N 2.82Å; V193-H195 PolarHBondContact O-N 2.8Å; V193-L196 WeakPolarHBondContact O-CB 3.37Å; V193-L196 PolarHBondContact O-N 3.05Å; V193-I197 HydrophobicContact CG1-CD1 3.86Å; V193-I197 HydrophobicContact CG1-CG1 4.38Å; V193-I197 VanDerWaalsContact O-CG1 3.25Å; V193-I197 WeakPolarHBondContact O-CG1 3.26Å; V193-I197 PolarHBondContact O-N 3.2Å; V193-F210 HydrophobicContact CG1-CD2 4.18Å; V193-F210 HydrophobicContact CG1-CE2 4.28Å; V193-F210 HydrophobicContact CG2-CE2 4.19Å; V193-Y228 HydrophobicContact CG2-CE2 4.41Å; V193-V232 HydrophobicContact CB-CG2 4.16Å; V193-V232 HydrophobicContact CG1-CG1 4.06Å; V193-V232 HydrophobicContact CG1-CG2 4.45Å; V193-V232 HydrophobicContact CG2-CG2 3.9Å
194K98.8Very high98.1Very high80 Ų8051.4 Ų51.435%0.34827%0.265SS..Hα-helixtrans-55.9-52.4174.9-173.4-174.1172.5-1720112A190 D191 L196 I197 E198 H235A190-K194 PolarHBondContact O-N 2.69Å; D191-K194 WeakPolarHBondContact O-CB 3.48Å; D191-K194 PolarHBondContact O-N 2.77Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 3.32Å; K194-I197 WeakPolarHBondContact O-CB 3.14Å; K194-I197 PolarHBondContact O-N 3.07Å; K194-I197 VanDerWaalsContact O-N 3.16Å; K194-E198 WeakPolarHBondContact CE-OE1 3.46Å; K194-E198 WeakPolarHBondContact O-CG 3.18Å; K194-E198 PolarHBondContact O-N 2.73Å; K194-H235 HydrophobicContact CB-CB 4.43Å
195H98.6Very high98.1Very high106 Ų10650.4 Ų50.449%0.49126%0.256SS..Hα-helixtrans-60.4-40.3178.5-64.8154.7000111.7D191 V193 I197 E198 E199D191-H195 VanDerWaalsContact O-CG 3.26Å; D191-H195 PolarHBondContact O-N 3.07Å; D191-H195 PolarHBondContact O-ND1 2.87Å; V193-H195 PolarHBondContact O-N 2.8Å; H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 PolarHBondContact O-N 3.21Å; H195-E198 IonicContact CD2-OE2 3.62Å; H195-E198 PolarHBondContact O-N 3.39Å; H195-E199 WeakPolarHBondContact O-CG 3.11Å; H195-E199 PolarHBondContact O-N 3.06Å
196L98.5Very high98.1Very high40 Ų4054.8 Ų54.821%0.20927%0.272CS..Hα-helixtrans-60.1-45.1175.7-17759.7000111.5V134 H166 A168 T192 V193 K194 E198 E199 I200V134-L196 HydrophobicContact CG1-CD2 3.9Å; H166-L196 HydrophobicContact CB-CD1 4.22Å; H166-L196 HydrophobicContact CB-CD2 3.92Å; H166-L196 HydrophobicContact CB-CG 4.16Å; A168-L196 HydrophobicContact CB-CD2 4.29Å; T192-L196 WeakPolarHBondContact O-CB 3.27Å; T192-L196 PolarHBondContact O-N 2.91Å; V193-L196 WeakPolarHBondContact O-CB 3.37Å; V193-L196 PolarHBondContact O-N 3.05Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 3.32Å; L196-E198 VanDerWaalsContact C-N 3.35Å; L196-E198 PolarHBondContact O-N 2.97Å; L196-E199 PolarHBondContact O-N 3.27Å; L196-I200 HydrophobicContact CG-CD1 4.19Å; L196-I200 WeakPolarHBondContact O-CD1 3.44Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.12Å
197I98.7Very high98.2Very high6 Ų654.8 Ų54.83%0.03127%0.272CS..Hα-helixtrans-62-41.4176-66.5170.8000111.6V134 V193 K194 H195 E199 I200 N201 I207 H235 V236 A239V134-I197 HydrophobicContact CG2-CG1 4.4Å; V193-I197 HydrophobicContact CG1-CD1 3.86Å; V193-I197 HydrophobicContact CG1-CG1 4.38Å; V193-I197 VanDerWaalsContact O-CG1 3.25Å; V193-I197 WeakPolarHBondContact O-CG1 3.26Å; V193-I197 PolarHBondContact O-N 3.2Å; K194-I197 WeakPolarHBondContact O-CB 3.14Å; K194-I197 PolarHBondContact O-N 3.07Å; K194-I197 VanDerWaalsContact O-N 3.16Å; H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 PolarHBondContact O-N 3.21Å; I197-E199 VanDerWaalsContact C-N 3.35Å; I197-E199 PolarHBondContact O-N 2.99Å; I197-I200 PolarHBondContact O-N 3.34Å; I197-N201 WeakPolarHBondContact O-CB 3.31Å; I197-N201 VanDerWaalsContact O-CG 3.3Å; I197-N201 PolarHBondContact O-N 3.16Å; I197-N201 PolarHBondContact O-ND2 3.39Å; I197-I207 HydrophobicContact CD1-CD1 3.64Å; I197-I207 HydrophobicContact CG1-CD1 3.82Å; I197-I207 HydrophobicContact CG2-CD1 4.18Å; I197-H235 HydrophobicContact CD1-CB 4.36Å; I197-V236 HydrophobicContact CD1-CG2 3.86Å; I197-A239 HydrophobicContact CG2-CB 3.46Å; I197-A239 VanDerWaalsContact CG2-CB 3.46Å
198E98.6Very high98.2Very high76 Ų7651.9 Ų51.936%0.35526%0.259SS..Hα-helixtrans-61.5-41.9175.4-70.7170.7176.900111.9K194 H195 L196 N201 K202K194-E198 WeakPolarHBondContact CE-OE1 3.46Å; K194-E198 WeakPolarHBondContact O-CG 3.18Å; K194-E198 PolarHBondContact O-N 2.73Å; H195-E198 IonicContact CD2-OE2 3.62Å; H195-E198 PolarHBondContact O-N 3.39Å; L196-E198 VanDerWaalsContact C-N 3.35Å; L196-E198 PolarHBondContact O-N 2.97Å; E198-N201 PolarHBondContact O-N 2.91Å; E198-K202 VanDerWaalsContact O-CG 3.31Å; E198-K202 WeakPolarHBondContact O-CG 3.44Å; E198-K202 PolarHBondContact O-N 3.4Å
199E98.4Very high98.3Very high89 Ų8951.6 Ų51.642%0.41626%0.256SS..Hα-helixtrans-66.9-36.6175.9-68.9-54.9121.100113H195 L196 I197 K202 K203H195-E199 WeakPolarHBondContact O-CG 3.11Å; H195-E199 PolarHBondContact O-N 3.06Å; L196-E199 PolarHBondContact O-N 3.27Å; I197-E199 VanDerWaalsContact C-N 3.35Å; I197-E199 PolarHBondContact O-N 2.99Å; E199-K202 WeakPolarHBondContact OE1-CD 3.44Å; E199-K202 IonicContact OE1-NZ 3.16Å; E199-K202 PolarHBondContact OE1-NZ 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.1Å
200I97.9Very high98.3Very high2 Ų251.6 Ų51.61%0.0126%0.256CS..Hα-helixtrans-61.1-49.1172.9-66.7164.3000109.8V134 H166 L196 I197 K202 K203 R205 I207V134-I200 HydrophobicContact CG2-CD1 4.02Å; H166-I200 HydrophobicContact CB-CD1 3.83Å; H166-I200 WeakPolarHBondContact CD2-CD1 3.46Å; L196-I200 HydrophobicContact CG-CD1 4.19Å; L196-I200 WeakPolarHBondContact O-CD1 3.44Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.12Å; I197-I200 PolarHBondContact O-N 3.34Å; I200-K202 PolarHBondContact O-N 2.9Å; I200-K203 WeakPolarHBondContact O-CB 3.4Å; I200-K203 PolarHBondContact O-N 2.9Å; I200-K203 VanDerWaalsContact O-N 3.09Å; I200-R205 HydrophobicContact CG2-CB 3.7Å; I200-R205 PolarHBondContact O-N 2.99Å; I200-I207 HydrophobicContact CD1-CG2 3.76Å; I200-I207 HydrophobicContact CG2-CG2 4.05Å
201N97.6Very high98.3Very high68 Ų6851.6 Ų51.636%0.36426%0.256SS..Hα-helixtrans-64.5-37.9-179.5-71.6-21.6000112.6I197 E198 K203 G204 R205I197-N201 WeakPolarHBondContact O-CB 3.31Å; I197-N201 VanDerWaalsContact O-CG 3.3Å; I197-N201 PolarHBondContact O-N 3.16Å; I197-N201 PolarHBondContact O-ND2 3.39Å; E198-N201 PolarHBondContact O-N 2.91Å; N201-K203 PolarHBondContact O-N 2.81Å; N201-G204 WeakPolarHBondContact O-CA 3.39Å; N201-G204 PolarHBondContact O-N 3.49Å; N201-R205 WeakPolarHBondContact CA-O 3.5Å; N201-R205 PolarHBondContact OD1-O 3.2Å
202K97.9Very high98.2Very high148 Ų14849.3 Ų49.364%0.64324%0.244SC*.Hα-helixtrans-59.4-27.3174.3-76.5172.4-169.4169.80112.9E198 E199 I200 G204E198-K202 VanDerWaalsContact O-CG 3.31Å; E198-K202 WeakPolarHBondContact O-CG 3.44Å; E198-K202 PolarHBondContact O-N 3.4Å; E199-K202 WeakPolarHBondContact OE1-CD 3.44Å; E199-K202 IonicContact OE1-NZ 3.16Å; E199-K202 PolarHBondContact OE1-NZ 3.28Å; I200-K202 PolarHBondContact O-N 2.9Å; K202-G204 VanDerWaalsContact C-N 3.26Å
203K96.8Very high98.2Very high155 Ų15548.2 Ų48.267%0.67424%0.237SC*.THydrogen-bonded Turntrans-85.45.8174.7-63.7173.1-176175.90113.1E199 I200 N201 R205E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.1Å; I200-K203 WeakPolarHBondContact O-CB 3.4Å; I200-K203 PolarHBondContact O-N 2.9Å; I200-K203 VanDerWaalsContact O-N 3.09Å; N201-K203 PolarHBondContact O-N 2.81Å; K203-R205 HydrophobicContact CB-CG 4.37Å; K203-R205 PolarHBondContact O-N 2.95Å
204G97Very high98.2Very high69 Ų6948.4 Ų48.471%0.71124%0.238SC*.THydrogen-bonded Turntrans73.910-177.700000114.3N201 K202N201-G204 WeakPolarHBondContact O-CA 3.39Å; N201-G204 PolarHBondContact O-N 3.49Å; K202-G204 VanDerWaalsContact C-N 3.26Å
205R97.8Very high98.2Very high54 Ų5444.8 Ų44.820%0.20422%0.223CC..  trans-92.8160.7177.5-57.3-17667.888.217.6109.8D132 E163 I200 N201 K203D132-R205 IonicContact OD1-CZ 2.74Å; D132-R205 IonicContact OD1-NE 2.82Å; D132-R205 PolarHBondContact OD1-NE 3.08Å; D132-R205 IonicContact OD1-NH2 3.7Å; D132-R205 PolarHBondContact OD1-NH2 3.11Å; D132-R205 WeakPolarHBondContact OD2-CB 3.26Å; D132-R205 IonicContact OD2-CZ 3.18Å; D132-R205 IonicContact OD2-NE 3.96Å; D132-R205 PolarHBondContact OD2-NE 3.21Å; D132-R205 IonicContact OD2-NH2 3.21Å; E163-R205 VanDerWaalsContact CD-NH1 3.28Å; E163-R205 IonicContact OE1-CZ 2.71Å; E163-R205 IonicContact OE1-NH1 3.87Å; E163-R205 PolarHBondContact OE1-NH1 2.98Å; E163-R205 IonicContact OE2-NH1 2.72Å; I200-R205 HydrophobicContact CG2-CB 3.7Å; I200-R205 PolarHBondContact O-N 2.99Å; N201-R205 WeakPolarHBondContact CA-O 3.5Å; N201-R205 PolarHBondContact OD1-O 3.2Å; K203-R205 HydrophobicContact CB-CG 4.37Å; K203-R205 PolarHBondContact O-N 2.95Å
206K97.9Very high98.1Very high117 Ų11740 Ų4051%0.50920%0.201SC..  trans-138.2144.7-179.4-61.8-173.2-178.2-179.40110.3H130 D132H130-K206 HydrophobicContact CB-CB 4.1Å; H130-K206 WeakPolarHBondContact CB-O 3.2Å; H130-K206 WeakPolarHBondContact NE2-CD 3.06Å; D132-K206 VanDerWaalsContact CB-O 3.29Å; D132-K206 WeakPolarHBondContact CB-O 3.47Å; D132-K206 PolarHBondContact N-O 3.36Å
207I98.3Very high97.9Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-87.3133.2-177.567.8176.3000111.7H130 D132 V134 I197 I200 V236 A239 G241H130-I207 VanDerWaalsContact CB-C 3.5Å; H130-I207 WeakPolarHBondContact CB-O 3.48Å; H130-I207 PolarHBondContact ND1-O 2.96Å; D132-I207 HydrophobicContact CB-CG2 4.28Å; D132-I207 CarbonylContact O-C 3.59Å; D132-I207 VanDerWaalsContact O-CA 3.31Å; D132-I207 WeakPolarHBondContact O-CA 3.46Å; V134-I207 HydrophobicContact CG2-CG2 4.05Å; I197-I207 HydrophobicContact CD1-CD1 3.64Å; I197-I207 HydrophobicContact CG1-CD1 3.82Å; I197-I207 HydrophobicContact CG2-CD1 4.18Å; I200-I207 HydrophobicContact CD1-CG2 3.76Å; I200-I207 HydrophobicContact CG2-CG2 4.05Å; I207-V236 HydrophobicContact CD1-CB 4.36Å; I207-V236 HydrophobicContact CD1-CG1 4.08Å; I207-V236 HydrophobicContact CD1-CG2 4.3Å; I207-A239 HydrophobicContact CD1-CB 3.98Å; I207-A239 HydrophobicContact CG1-CB 4.19Å; I207-G241 WeakPolarHBondContact O-CA 3.41Å
208A98.8Very high97.7Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-82.2-46.4167.700000111E125 T128 H130 D132 G241 V242E125-A208 HydrophobicContact CG-CB 4.25Å; T128-A208 WeakPolarHBondContact CG2-O 3.24Å; T128-A208 WeakPolarHBondContact OG1-CA 3.35Å; H130-A208 HydrophobicContact CB-CB 4.05Å; H130-A208 WeakPolarHBondContact O-CB 3.24Å; D132-A208 PolarHBondContact O-N 2.76Å; A208-G241 WeakPolarHBondContact O-CA 3.45Å; A208-V242 WeakPolarHBondContact O-CG2 3.26Å; A208-V242 PolarHBondContact O-N 3.06Å
209A98.8Very high97.5Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-146.6149.5-171.400000113.6A124 D132 V133 V134 V242 V244A124-A209 HydrophobicContact CB-CB 3.92Å; D132-A209 PolarHBondContact O-N 3.32Å; V133-A209 WeakPolarHBondContact CA-O 3.4Å; V133-A209 HydrophobicContact CG1-CB 4.49Å; V134-A209 PolarHBondContact N-O 3.33Å; A209-V242 CarbonylContact C-O 3.57Å; A209-V242 VanDerWaalsContact CA-O 3.28Å; A209-V242 WeakPolarHBondContact CA-O 3.45Å; A209-V242 HydrophobicContact CB-CG2 4.33Å; A209-V244 HydrophobicContact CB-CG2 4.13Å
210F98.9Very high97.4Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-102.7125.7153.1176.1-91.9000108.9V134 L136 V193 A212 Y228 V232 V236 V242 F243 V244V134-F210 HydrophobicContact CB-CD2 3.86Å; V134-F210 HydrophobicContact CG1-CD2 3.65Å; V134-F210 HydrophobicContact CG1-CE2 4Å; V134-F210 CarbonylContact O-C 3.59Å; V134-F210 VanDerWaalsContact O-CA 3.32Å; V134-F210 WeakPolarHBondContact O-CA 3.42Å; L136-F210 HydrophobicContact CD2-CE2 4.3Å; L136-F210 HydrophobicContact CD2-CZ 3.96Å; L136-F210 HydrophobicContact CG-CZ 4.05Å; V193-F210 HydrophobicContact CG1-CD2 4.18Å; V193-F210 HydrophobicContact CG1-CE2 4.28Å; V193-F210 HydrophobicContact CG2-CE2 4.19Å; F210-A212 HydrophobicContact CD1-CB 4.27Å; F210-A212 HydrophobicContact CE1-CB 3.46Å; F210-A212 VanDerWaalsContact CE1-CB 3.46Å; F210-A212 HydrophobicContact CZ-CB 3.99Å; F210-Y228 HydrophobicContact CZ-CE1 4.43Å; F210-V232 HydrophobicContact CD1-CG1 3.69Å; F210-V232 HydrophobicContact CD2-CG1 3.82Å; F210-V232 HydrophobicContact CE1-CG1 3.72Å; F210-V232 HydrophobicContact CE2-CG1 3.89Å; F210-V232 HydrophobicContact CG-CG1 3.74Å; F210-V232 HydrophobicContact CZ-CG1 3.84Å; F210-V236 HydrophobicContact CB-CB 4.42Å; F210-V236 HydrophobicContact CB-CG1 4.11Å; F210-V236 HydrophobicContact CB-CG2 3.52Å; F210-V236 HydrophobicContact CG-CG2 4.17Å; F210-V242 PolarHBondContact N-O 3.06Å; F210-F243 AromaticContact CD1-CD2 3.66Å; F210-F243 HydrophobicContact CD1-CD2 3.66Å; F210-F243 AromaticContact CD1-CE2 3.36Å; F210-F243 HydrophobicContact CD1-CE2 3.36Å; F210-F243 HydrophobicContact CD1-CG 4.4Å; F210-F243 AromaticContact CD1-CZ 3.85Å; F210-F243 HydrophobicContact CD1-CZ 3.85Å; F210-F243 HydrophobicContact CE1-CD2 4.29Å; F210-F243 AromaticContact CE1-CE2 3.52Å; F210-F243 HydrophobicContact CE1-CE2 3.52Å; F210-F243 AromaticContact CE1-CZ 3.79Å; F210-F243 HydrophobicContact CE1-CZ 3.79Å; F210-F243 HydrophobicContact CG-CE2 4.48Å; F210-V244 PolarHBondContact O-N 3.24Å
211F98.3Very high97.4Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-113.7124.8-177.4-135.4-75.2000110.2N117 A120 V133 V134 V135 H141 I150 V244 D246N117-F211 HydrophobicContact CB-CE1 4.18Å; N117-F211 HydrophobicContact CB-CZ 3.7Å; N117-F211 VanDerWaalsContact OD1-CE1 3.31Å; N117-F211 WeakPolarHBondContact OD1-CE1 3.33Å; N117-F211 WeakPolarHBondContact OD1-CZ 3.48Å; A120-F211 HydrophobicContact CB-CE2 4.21Å; A120-F211 HydrophobicContact CB-CZ 4.31Å; V133-F211 HydrophobicContact CG1-CB 4.33Å; V134-F211 PolarHBondContact O-N 3.43Å; V135-F211 HydrophobicContact CG1-CB 3.88Å; H141-F211 HydrophobicContact CB-CD1 4.46Å; H141-F211 HydrophobicContact CB-CE1 4.24Å; H141-F211 AromaticContact CD2-CD1 3.75Å; H141-F211 AromaticContact CE1-CD1 3.47Å; H141-F211 VanDerWaalsContact CE1-CD1 3.47Å; H141-F211 WeakPolarHBondContact CE1-CD1 3.46Å; H141-F211 AromaticContact CG-CD1 3.64Å; H141-F211 AromaticContact CG-CE1 3.81Å; H141-F211 AromaticContact ND1-CD1 3.45Å; H141-F211 WeakPolarHBondContact ND1-CD1 3.48Å; H141-F211 AromaticContact ND1-CE1 3.61Å; H141-F211 AromaticContact NE2-CD1 3.65Å; I150-F211 HydrophobicContact CD1-CD2 4.21Å; I150-F211 HydrophobicContact CD1-CE2 4.5Å; I150-F211 HydrophobicContact CD1-CG 4.35Å; F211-V244 HydrophobicContact CD1-CB 4.49Å; F211-V244 HydrophobicContact CD1-CG1 4.31Å; F211-V244 HydrophobicContact CD2-CB 3.79Å; F211-V244 HydrophobicContact CD2-CG1 3.93Å; F211-V244 HydrophobicContact CD2-CG2 4Å; F211-V244 HydrophobicContact CE1-CG1 3.95Å; F211-V244 HydrophobicContact CE2-CB 3.9Å; F211-V244 HydrophobicContact CE2-CG1 3.53Å; F211-V244 HydrophobicContact CE2-CG2 4.1Å; F211-V244 HydrophobicContact CG-CB 4.1Å; F211-V244 HydrophobicContact CG-CG1 4.31Å; F211-V244 HydrophobicContact CZ-CB 4.3Å; F211-V244 HydrophobicContact CZ-CG1 3.53Å; F211-D246 HydrophobicContact CD1-CB 4.44Å; F211-D246 HydrophobicContact CE1-CB 4.03Å
212A98.5Very high97.4Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-145.8136.2177.600000112.9L136 F210 S214 F229 V244 D246L136-A212 HydrophobicContact CD1-CB 3.85Å; L136-A212 HydrophobicContact CG-CB 4.28Å; F210-A212 HydrophobicContact CD1-CB 4.27Å; F210-A212 HydrophobicContact CE1-CB 3.46Å; F210-A212 VanDerWaalsContact CE1-CB 3.46Å; F210-A212 HydrophobicContact CZ-CB 3.99Å; A212-S214 PolarHBondContact O-N 2.94Å; A212-F229 HydrophobicContact CB-CE1 4.1Å; A212-F229 HydrophobicContact CB-CZ 4.09Å; A212-V244 PolarHBondContact N-O 3.27Å; A212-V244 VanDerWaalsContact N-O 3.15Å; A212-D246 PolarHBondContact O-N 2.99Å
213E98.6Very high97.4Very high3 Ų323.4 Ų23.41%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-62.3129.7157.5-69171.6-10600108.4Y140 L215 P216 S217 D246Y140-E213 PolarHBondContact N-OE1 3.21Å; Y140-E213 VanDerWaalsContact N-OE1 3.15Å; E213-L215 PolarHBondContact O-N 3.37Å; E213-P216 HydrophobicContact CB-CG 4.39Å; E213-S217 PolarHBondContact OE2-N 3.22Å; E213-D246 HydrophobicContact CG-CB 4.41Å
214S97.9Very high97.4Very high3 Ų316.3 Ų16.32%0.02110%0.095CC..SBendtrans-61.2-33.3179.8-67.30000113.1A212 L224 D246 E247 F262A212-S214 PolarHBondContact O-N 2.94Å; S214-L224 WeakPolarHBondContact O-CD1 3.25Å; S214-D246 PolarHBondContact N-O 3.33Å; S214-E247 WeakPolarHBondContact CB-OE1 3.05Å; S214-E247 VanDerWaalsContact OG-CD 3.3Å; S214-E247 PolarHBondContact OG-OE1 3.14Å; S214-F262 WeakPolarHBondContact OG-CB 3.33Å; S214-F262 PolarHBondContact OG-N 2.76Å
215L97.9Very high97.4Very high5 Ų513.7 Ų13.73%0.0267%0.066CC..SBendtrans-133.4102.7165.4-55.2171.7000107.5E213 S217 I223 T250 T255 A261 L264 V363 F366E213-L215 PolarHBondContact O-N 3.37Å; L215-S217 PolarHBondContact O-N 3.37Å; L215-I223 HydrophobicContact CD1-CD1 4.32Å; L215-I223 HydrophobicContact CD2-CD1 3.83Å; L215-T250 HydrophobicContact CB-CG2 3.77Å; L215-T250 HydrophobicContact CD1-CG2 4.07Å; L215-T250 HydrophobicContact CG-CG2 4.21Å; L215-T255 HydrophobicContact CD1-CG2 3.74Å; L215-A261 HydrophobicContact CD1-CB 3.98Å; L215-A261 HydrophobicContact CG-CB 3.99Å; L215-L264 HydrophobicContact CD1-CD1 4.31Å; L215-L264 HydrophobicContact CD2-CD1 4.34Å; L215-V363 HydrophobicContact CD1-CG1 3.88Å; L215-F366 HydrophobicContact CB-CD1 4.37Å; L215-F366 HydrophobicContact CB-CE1 3.73Å; L215-F366 HydrophobicContact CB-CZ 3.94Å; L215-F366 HydrophobicContact CD1-CD1 4.14Å; L215-F366 HydrophobicContact CD1-CE1 4.34Å; L215-F366 WeakPolarHBondContact O-CZ 3.48Å
216P97.8Very high97.3Very high4 Ų417.3 Ų17.33%0.0269%0.085CC..  trans-55.3109.3-176.6-30.137.7000112.2L136 L170 E213 Q221 I222 L224L136-P216 HydrophobicContact CD1-CG 4.33Å; L170-P216 HydrophobicContact CD1-CB 3.81Å; L170-P216 HydrophobicContact CD1-CG 3.66Å; E213-P216 HydrophobicContact CB-CG 4.39Å; P216-Q221 WeakPolarHBondContact O-CA 3.38Å; P216-Q221 PolarHBondContact O-N 2.89Å; P216-I222 HydrophobicContact CB-CB 4.19Å; P216-I222 HydrophobicContact CB-CG1 4.45Å; P216-I222 HydrophobicContact CG-CB 4.38Å; P216-I222 PolarHBondContact O-N 2.85Å; P216-L224 HydrophobicContact CG-CD2 4.04Å
217S94.4Very high97.2Very high1 Ų112.6 Ų12.61%0.0077%0.07CC..THydrogen-bonded Turntrans-78.5-56.8-175.3178.40000110.4E213 L215 G219 G220 Q221 D403 K413E213-S217 PolarHBondContact OE2-N 3.22Å; L215-S217 PolarHBondContact O-N 3.37Å; S217-G219 PolarHBondContact O-N 3.19Å; S217-G220 WeakPolarHBondContact O-CA 3.23Å; S217-G220 PolarHBondContact O-N 3.1Å; S217-Q221 PolarHBondContact O-N 2.88Å; S217-Q221 VanDerWaalsContact O-N 3.1Å; S217-Q221 PolarHBondContact O-NE2 3.35Å; S217-Q221 VanDerWaalsContact O-NE2 3.08Å; S217-Q221 PolarHBondContact OG-NE2 2.93Å; S217-D403 VanDerWaalsContact O-OD2 3.09Å; S217-D403 PolarHBondContact OG-OD2 2.97Å; S217-K413 VanDerWaalsContact OG-CE 3.26Å; S217-K413 WeakPolarHBondContact OG-CE 3.46Å; S217-K413 PolarHBondContact OG-NZ 3.05Å; S217-K413 VanDerWaalsContact OG-NZ 3.11Å
218V93.9Very high97.2Very high15 Ų1512.6 Ų12.69%0.0917%0.07CC..THydrogen-bonded Turntrans-64.9-28.8-177.3178.70000111Y153 G220 G404Y153-V218 HydrophobicContact CD1-CG1 3.95Å; Y153-V218 HydrophobicContact CD2-CG1 3.3Å; Y153-V218 HydrophobicContact CE1-CG1 4.07Å; Y153-V218 HydrophobicContact CE2-CG1 3.44Å; Y153-V218 VanDerWaalsContact CE2-CG1 3.44Å; Y153-V218 HydrophobicContact CG-CG1 3.58Å; V218-G220 PolarHBondContact O-N 2.9Å; V218-G220 VanDerWaalsContact O-N 3.13Å; V218-G404 VanDerWaalsContact O-CA 3.29Å; V218-G404 WeakPolarHBondContact O-CA 3.39Å; V218-G404 PolarHBondContact O-N 3Å
219G95.1Very high97.1Very high4 Ų412.6 Ų12.64%0.0417%0.07CC..THydrogen-bonded Turntrans-63.5-8.4169.700000114.7S217S217-G219 PolarHBondContact O-N 3.19Å
220G96.3Very high97.1Very high0 Ų015.1 Ų15.10%09%0.087CC..THydrogen-bonded Turntrans108.540175.700000113.8S217 V218 R361S217-G220 WeakPolarHBondContact O-CA 3.23Å; S217-G220 PolarHBondContact O-N 3.1Å; V218-G220 PolarHBondContact O-N 2.9Å; V218-G220 VanDerWaalsContact O-N 3.13Å; G220-R361 VanDerWaalsContact O-CZ 3.24Å; G220-R361 PolarHBondContact O-NE 3.42Å; G220-R361 PolarHBondContact O-NH2 3.13Å
221Q96.9Very high97Very high0 Ų017.1 Ų17.10%010%0.096CC..SBendtrans61.248.6178.5-47-62.1-84.600113.2P216 S217 R361 F366 D403 K411P216-Q221 WeakPolarHBondContact O-CA 3.38Å; P216-Q221 PolarHBondContact O-N 2.89Å; S217-Q221 PolarHBondContact O-N 2.88Å; S217-Q221 VanDerWaalsContact O-N 3.1Å; S217-Q221 PolarHBondContact O-NE2 3.35Å; S217-Q221 VanDerWaalsContact O-NE2 3.08Å; S217-Q221 PolarHBondContact OG-NE2 2.93Å; Q221-R361 WeakPolarHBondContact O-CD 3.47Å; Q221-F366 VanDerWaalsContact CA-CE1 3.49Å; Q221-F366 HydrophobicContact CB-CD1 4.22Å; Q221-F366 HydrophobicContact CB-CE1 3.73Å; Q221-F366 HydrophobicContact CB-CZ 4.31Å; Q221-F366 HydrophobicContact CG-CE1 4.38Å; Q221-F366 VanDerWaalsContact OE1-CE2 3.3Å; Q221-D403 PolarHBondContact NE2-OD2 2.74Å; Q221-K411 HydrophobicContact CG-CB 4.2Å
222I97.9Very high97Very high3 Ų317.1 Ų17.12%0.01510%0.096CC..PPolyproline II helixtrans-77.6130.8-171.7-56.4-54.3000111.4L170 D172 P216 L224L170-I222 HydrophobicContact CD1-CG1 4.49Å; L170-I222 HydrophobicContact CD2-CG1 3.98Å; L170-I222 HydrophobicContact CG-CG1 4.4Å; D172-I222 HydrophobicContact CB-CD1 4.27Å; D172-I222 HydrophobicContact CB-CG2 4.48Å; P216-I222 HydrophobicContact CB-CB 4.19Å; P216-I222 HydrophobicContact CB-CG1 4.45Å; P216-I222 HydrophobicContact CG-CB 4.38Å; P216-I222 PolarHBondContact O-N 2.85Å; I222-L224 HydrophobicContact CG2-CD2 4.13Å
223I97.6Very high97Very high58 Ų5817.1 Ų17.130%0.29710%0.096SC..PPolyproline II helixtrans-92116.8165.7-55.1-54.4000107.6L215 V363L215-I223 HydrophobicContact CD1-CD1 4.32Å; L215-I223 HydrophobicContact CD2-CD1 3.83Å; I223-V363 HydrophobicContact CD1-CB 4.45Å; I223-V363 HydrophobicContact CD1-CG1 3.9Å
224L97.4Very high97Very high7 Ų722.6 Ų22.64%0.03712%0.122CC..PPolyproline II helixtrans-72.2141.7179.5-57.8178.6000110.3P171 S214 P216 I222 Y228 F229 Q265P171-L224 HydrophobicContact CB-CD2 3.9Å; P171-L224 HydrophobicContact CG-CD2 3.99Å; S214-L224 WeakPolarHBondContact O-CD1 3.25Å; P216-L224 HydrophobicContact CG-CD2 4.04Å; I222-L224 HydrophobicContact CG2-CD2 4.13Å; L224-Y228 HydrophobicContact CB-CD1 4.47Å; L224-Y228 HydrophobicContact CD1-CD1 4.18Å; L224-Y228 HydrophobicContact CD1-CE1 4.46Å; L224-F229 HydrophobicContact CD1-CD1 4.06Å; L224-F229 HydrophobicContact CD1-CE1 3.17Å; L224-F229 HydrophobicContact CD1-CE2 4.31Å; L224-F229 HydrophobicContact CD1-CZ 3.32Å; L224-Q265 PolarHBondContact O-NE2 2.96Å
225P96.9Very high97Very high14 Ų1423.8 Ų23.89%0.09113%0.127CC..PPolyproline II helixtrans-62.1150178.525.3-32.8000111.3P171 T173 P185 Y189 Y228 Q265P171-P225 HydrophobicContact CB-CG 4.01Å; P171-P225 WeakPolarHBondContact O-CD 3.33Å; T173-P225 HydrophobicContact CG2-CB 4.09Å; T173-P225 HydrophobicContact CG2-CG 4.34Å; P185-P225 HydrophobicContact CB-CB 4.19Å; P185-P225 HydrophobicContact CB-CG 4.44Å; P185-P225 HydrophobicContact CG-CB 3.93Å; Y189-P225 HydrophobicContact CD2-CG 4.24Å; P225-Y228 VanDerWaalsContact O-CB 3.29Å; P225-Y228 WeakPolarHBondContact O-CB 3.3Å; P225-Y228 PolarHBondContact O-N 3.31Å; P225-Q265 PolarHBondContact O-NE2 3.22Å; P225-Q265 PolarHBondContact O-OE1 2.96Å
226Q95.5Very high97.1Very high129 Ų12923.5 Ų23.560%0.60313%0.125SC*.THydrogen-bonded Turntrans-60.9143-176.5-88.5-64.56.200113.1Y228 L264Q226-Y228 PolarHBondContact O-N 2.98Å; Q226-L264 PolarHBondContact NE2-O 3.5Å; Q226-L264 PolarHBondContact OE1-O 3.29Å
227G94.8Very high97.1Very high19 Ų1928 Ų2820%0.19614%0.141CC..THydrogen-bonded Turntrans70.92.1179.400000115.6K231G227-K231 WeakPolarHBondContact O-CD 3Å; G227-K231 WeakPolarHBondContact O-CG 3.32Å; G227-K231 PolarHBondContact O-N 2.63Å
228Y98.2Very high97.3Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-59.6-50.9177.4172.2-111.8000111.3L136 P171 A190 V193 F210 L224 P225 Q226 S230 K231 V232 Q265L136-Y228 HydrophobicContact CD2-CE1 4.46Å; L136-Y228 WeakPolarHBondContact CD2-OH 3.14Å; P171-Y228 HydrophobicContact CG-CD1 4.02Å; P171-Y228 HydrophobicContact CG-CD2 4.17Å; P171-Y228 HydrophobicContact CG-CE1 3.62Å; P171-Y228 HydrophobicContact CG-CE2 3.76Å; P171-Y228 HydrophobicContact CG-CG 4.29Å; P171-Y228 VanDerWaalsContact CG-CZ 3.48Å; A190-Y228 HydrophobicContact CB-CD2 4.16Å; A190-Y228 HydrophobicContact CB-CE2 4.42Å; V193-Y228 HydrophobicContact CG2-CE2 4.41Å; F210-Y228 HydrophobicContact CZ-CE1 4.43Å; L224-Y228 HydrophobicContact CB-CD1 4.47Å; L224-Y228 HydrophobicContact CD1-CD1 4.18Å; L224-Y228 HydrophobicContact CD1-CE1 4.46Å; P225-Y228 VanDerWaalsContact O-CB 3.29Å; P225-Y228 WeakPolarHBondContact O-CB 3.3Å; P225-Y228 PolarHBondContact O-N 3.31Å; Q226-Y228 PolarHBondContact O-N 2.98Å; Y228-S230 PolarHBondContact O-N 3.41Å; Y228-K231 PolarHBondContact O-N 3.14Å; Y228-V232 HydrophobicContact CD2-CG2 3.91Å; Y228-V232 HydrophobicContact CE1-CG2 4.19Å; Y228-V232 HydrophobicContact CE2-CG2 3.42Å; Y228-V232 VanDerWaalsContact CE2-CG2 3.42Å; Y228-V232 HydrophobicContact CG-CG2 4.48Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.2Å; Y228-Q265 VanDerWaalsContact N-OE1 3.09Å
229F98.3Very high97.5Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-64.5-42.4-177.6-82.44.2000113.3A212 L224 K231 V232 A233 F243 F262 Q265 F269A212-F229 HydrophobicContact CB-CE1 4.1Å; A212-F229 HydrophobicContact CB-CZ 4.09Å; L224-F229 HydrophobicContact CD1-CD1 4.06Å; L224-F229 HydrophobicContact CD1-CE1 3.17Å; L224-F229 HydrophobicContact CD1-CE2 4.31Å; L224-F229 HydrophobicContact CD1-CZ 3.32Å; F229-K231 VanDerWaalsContact C-N 3.3Å; F229-K231 PolarHBondContact O-N 3.4Å; F229-V232 PolarHBondContact O-N 3.32Å; F229-A233 VanDerWaalsContact O-CB 3.26Å; F229-A233 WeakPolarHBondContact O-CB 3.35Å; F229-A233 PolarHBondContact O-N 3.17Å; F229-F243 HydrophobicContact CB-CE2 4.43Å; F229-F243 HydrophobicContact CB-CZ 4.21Å; F229-F243 HydrophobicContact CD1-CE2 4.18Å; F229-F243 AromaticContact CD1-CZ 3.69Å; F229-F243 HydrophobicContact CD1-CZ 3.69Å; F229-F243 HydrophobicContact CD2-CE1 4.3Å; F229-F243 AromaticContact CD2-CZ 3.84Å; F229-F243 HydrophobicContact CD2-CZ 3.84Å; F229-F243 AromaticContact CE1-CZ 3.89Å; F229-F243 HydrophobicContact CE1-CZ 3.89Å; F229-F243 HydrophobicContact CE2-CE1 4.39Å; F229-F243 HydrophobicContact CE2-CZ 4.07Å; F229-F243 HydrophobicContact CG-CE2 4.26Å; F229-F243 AromaticContact CG-CZ 3.67Å; F229-F243 HydrophobicContact CG-CZ 3.67Å; F229-F243 HydrophobicContact CZ-CZ 4.08Å; F229-F262 HydrophobicContact CD2-CB 4.38Å; F229-F262 HydrophobicContact CE2-CB 4.27Å; F229-Q265 HydrophobicContact CB-CB 3.93Å; F229-Q265 HydrophobicContact CB-CG 3.76Å; F229-Q265 HydrophobicContact CD2-CB 4.27Å; F229-Q265 HydrophobicContact CD2-CG 3.58Å; F229-Q265 HydrophobicContact CE2-CG 4.33Å; F229-Q265 HydrophobicContact CG-CB 4.38Å; F229-Q265 HydrophobicContact CG-CG 3.71Å; F229-F269 HydrophobicContact CB-CD1 4.22Å; F229-F269 HydrophobicContact CB-CD2 4.05Å; F229-F269 HydrophobicContact CB-CE1 3.88Å; F229-F269 HydrophobicContact CB-CE2 3.68Å; F229-F269 HydrophobicContact CB-CG 4.32Å; F229-F269 HydrophobicContact CB-CZ 3.61Å; F229-F269 HydrophobicContact CD2-CD1 4.23Å; F229-F269 AromaticContact CD2-CE1 3.62Å; F229-F269 HydrophobicContact CD2-CE1 3.62Å; F229-F269 AromaticContact CD2-CZ 3.97Å; F229-F269 HydrophobicContact CD2-CZ 3.97Å; F229-F269 HydrophobicContact CG-CE1 4.19Å; F229-F269 HydrophobicContact CG-CZ 4.13Å; F229-F269 WeakPolarHBondContact O-CE2 3.21Å
230S96.9Very high97.7Very high52 Ų5234.5 Ų34.536%0.36419%0.194SC..Hα-helixtrans-58.8-43.3178.7-580000111.8Y228 E234Y228-S230 PolarHBondContact O-N 3.41Å; S230-E234 PolarHBondContact O-N 3.45Å
231K97.9Very high97.8Very high43 Ų4334.7 Ų34.719%0.18720%0.196CC..Hα-helixtrans-71.2-43.5179.2-67.2171.5-179.2-172.40112.5Q187 A190 G227 Y228 F229 A233 E234 H235Q187-K231 HydrophobicContact CB-CD 4.32Å; Q187-K231 VanDerWaalsContact CB-NZ 3.32Å; A190-K231 HydrophobicContact CB-CB 3.46Å; A190-K231 VanDerWaalsContact CB-CB 3.46Å; A190-K231 HydrophobicContact CB-CD 4.28Å; G227-K231 WeakPolarHBondContact O-CD 3Å; G227-K231 WeakPolarHBondContact O-CG 3.32Å; G227-K231 PolarHBondContact O-N 2.63Å; Y228-K231 PolarHBondContact O-N 3.14Å; F229-K231 VanDerWaalsContact C-N 3.3Å; F229-K231 PolarHBondContact O-N 3.4Å; K231-A233 VanDerWaalsContact C-N 3.32Å; K231-A233 PolarHBondContact O-N 3.01Å; K231-E234 WeakPolarHBondContact O-CB 3.27Å; K231-E234 PolarHBondContact O-N 3.38Å; K231-H235 PolarHBondContact O-CD2 2.79Å; K231-H235 VanDerWaalsContact O-CG 3.31Å; K231-H235 PolarHBondContact O-N 2.93Å
232V98.6Very high97.9Very high0 Ų034.9 Ų34.90%020%0.197CC..Hα-helixtrans-60.4-44.6174.6169.40000110.9A190 V193 F210 Y228 F229 E234 H235 V236 F243A190-V232 HydrophobicContact CB-CG2 3.91Å; V193-V232 HydrophobicContact CB-CG2 4.16Å; V193-V232 HydrophobicContact CG1-CG1 4.06Å; V193-V232 HydrophobicContact CG1-CG2 4.45Å; V193-V232 HydrophobicContact CG2-CG2 3.9Å; F210-V232 HydrophobicContact CD1-CG1 3.69Å; F210-V232 HydrophobicContact CD2-CG1 3.82Å; F210-V232 HydrophobicContact CE1-CG1 3.72Å; F210-V232 HydrophobicContact CE2-CG1 3.89Å; F210-V232 HydrophobicContact CG-CG1 3.74Å; F210-V232 HydrophobicContact CZ-CG1 3.84Å; Y228-V232 HydrophobicContact CD2-CG2 3.91Å; Y228-V232 HydrophobicContact CE1-CG2 4.19Å; Y228-V232 HydrophobicContact CE2-CG2 3.42Å; Y228-V232 VanDerWaalsContact CE2-CG2 3.42Å; Y228-V232 HydrophobicContact CG-CG2 4.48Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.2Å; F229-V232 PolarHBondContact O-N 3.32Å; V232-E234 VanDerWaalsContact C-N 3.31Å; V232-E234 PolarHBondContact O-N 3.48Å; V232-H235 PolarHBondContact O-N 3.26Å; V232-V236 HydrophobicContact CG1-CG2 3.89Å; V232-V236 WeakPolarHBondContact O-CB 3.41Å; V232-V236 WeakPolarHBondContact O-CG2 3.47Å; V232-V236 PolarHBondContact O-N 3.08Å; V232-F243 HydrophobicContact CB-CE2 4.35Å; V232-F243 HydrophobicContact CG1-CD2 4.23Å; V232-F243 HydrophobicContact CG1-CE2 3.95Å
233A98.5Very high97.9Very high0 Ų034.7 Ų34.70%020%0.197CC..Hα-helixtrans-63.6-36.4178.700000112.3F229 K231 R237 F243 F269F229-A233 VanDerWaalsContact O-CB 3.26Å; F229-A233 WeakPolarHBondContact O-CB 3.35Å; F229-A233 PolarHBondContact O-N 3.17Å; K231-A233 VanDerWaalsContact C-N 3.32Å; K231-A233 PolarHBondContact O-N 3.01Å; A233-R237 VanDerWaalsContact O-CB 3.25Å; A233-R237 WeakPolarHBondContact O-CB 3.32Å; A233-R237 WeakPolarHBondContact O-CD 3.44Å; A233-R237 WeakPolarHBondContact O-CG 3.22Å; A233-R237 PolarHBondContact O-N 2.97Å; A233-F243 HydrophobicContact CB-CB 4.3Å; A233-F243 HydrophobicContact CB-CD2 3.78Å; A233-F243 HydrophobicContact CB-CE2 4.5Å; A233-F243 HydrophobicContact CB-CG 4.28Å; A233-F269 HydrophobicContact CB-CE2 3.8Å
234E98.2Very high98Very high118 Ų11832 Ų3255%0.55118%0.182SC*.Hα-helixtrans-57.6-54.9170.3-174.7-173.6160.600110.8S230 K231 V232 V236 R237 S238S230-E234 PolarHBondContact O-N 3.45Å; K231-E234 WeakPolarHBondContact O-CB 3.27Å; K231-E234 PolarHBondContact O-N 3.38Å; V232-E234 VanDerWaalsContact C-N 3.31Å; V232-E234 PolarHBondContact O-N 3.48Å; E234-V236 PolarHBondContact O-N 3.33Å; E234-R237 PolarHBondContact O-N 2.67Å; E234-S238 WeakPolarHBondContact O-CB 3.13Å; E234-S238 PolarHBondContact O-N 2.57Å; E234-S238 PolarHBondContact O-OG 2.75Å; E234-S238 VanDerWaalsContact O-OG 3.06Å
235H98.6Very high98Very high27 Ų2731.6 Ų31.613%0.12518%0.181CC..Hα-helixtrans-60.5-42.8-179-59.1-29.5000113K194 I197 K231 V232 A239K194-H235 HydrophobicContact CB-CB 4.43Å; I197-H235 HydrophobicContact CD1-CB 4.36Å; K231-H235 PolarHBondContact O-CD2 2.79Å; K231-H235 VanDerWaalsContact O-CG 3.31Å; K231-H235 PolarHBondContact O-N 2.93Å; V232-H235 PolarHBondContact O-N 3.26Å; H235-A239 PolarHBondContact O-N 3.24Å
236V98.7Very high98.1Very high0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-65-46.2-179.9169.60000111I197 I207 F210 V232 E234 A239 G240 G241I197-V236 HydrophobicContact CD1-CG2 3.86Å; I207-V236 HydrophobicContact CD1-CB 4.36Å; I207-V236 HydrophobicContact CD1-CG1 4.08Å; I207-V236 HydrophobicContact CD1-CG2 4.3Å; F210-V236 HydrophobicContact CB-CB 4.42Å; F210-V236 HydrophobicContact CB-CG1 4.11Å; F210-V236 HydrophobicContact CB-CG2 3.52Å; F210-V236 HydrophobicContact CG-CG2 4.17Å; V232-V236 HydrophobicContact CG1-CG2 3.89Å; V232-V236 WeakPolarHBondContact O-CB 3.41Å; V232-V236 WeakPolarHBondContact O-CG2 3.47Å; V232-V236 PolarHBondContact O-N 3.08Å; E234-V236 PolarHBondContact O-N 3.33Å; V236-A239 PolarHBondContact O-N 3.2Å; V236-G240 PolarHBondContact O-N 3.03Å; V236-G241 PolarHBondContact O-N 3.28Å
237R98.6Very high98.3Very high97 Ų9725 Ų2537%0.36615%0.149SC..Hα-helixtrans-68.2-38.6179.2-70.4168.4-178.6148.3-0.9112A233 E234 A239 G240 C270 D272A233-R237 VanDerWaalsContact O-CB 3.25Å; A233-R237 WeakPolarHBondContact O-CB 3.32Å; A233-R237 WeakPolarHBondContact O-CD 3.44Å; A233-R237 WeakPolarHBondContact O-CG 3.22Å; A233-R237 PolarHBondContact O-N 2.97Å; E234-R237 PolarHBondContact O-N 2.67Å; R237-A239 PolarHBondContact O-N 3.44Å; R237-G240 PolarHBondContact O-N 3.42Å; R237-C270 PolarHBondContact NH2-O 2.92Å; R237-D272 IonicContact CZ-OD1 3.82Å; R237-D272 IonicContact CZ-OD2 3.93Å; R237-D272 IonicContact NE-OD1 2.67Å; R237-D272 PolarHBondContact NE-OD1 3.26Å; R237-D272 IonicContact NE-OD2 3.36Å; R237-D272 PolarHBondContact NE-OD2 3.45Å; R237-D272 VanDerWaalsContact NE-OD2 3.09Å; R237-D272 VanDerWaalsContact NH2-CG 3.34Å; R237-D272 IonicContact NH2-OD1 3.55Å; R237-D272 PolarHBondContact NH2-OD1 3.07Å; R237-D272 IonicContact NH2-OD2 3.56Å; R237-D272 PolarHBondContact NH2-OD2 2.84Å
238S98.4Very high98.5Very high101 Ų10124.5 Ų24.571%0.70614%0.142SC*.Hα-helixtrans-60.8-27.7173.3-65.80000112.8E234 G240E234-S238 WeakPolarHBondContact O-CB 3.13Å; E234-S238 PolarHBondContact O-N 2.57Å; E234-S238 PolarHBondContact O-OG 2.75Å; E234-S238 VanDerWaalsContact O-OG 3.06Å; S238-G240 VanDerWaalsContact C-N 3.33Å
239A98.3Very high98.3Very high20 Ų2025.6 Ų25.617%0.16515%0.147CC..THydrogen-bonded Turntrans-87.42.1173.700000114I197 I207 H235 V236 R237I197-A239 HydrophobicContact CG2-CB 3.46Å; I197-A239 VanDerWaalsContact CG2-CB 3.46Å; I207-A239 HydrophobicContact CD1-CB 3.98Å; I207-A239 HydrophobicContact CG1-CB 4.19Å; H235-A239 PolarHBondContact O-N 3.24Å; V236-A239 PolarHBondContact O-N 3.2Å; R237-A239 PolarHBondContact O-N 3.44Å
240G98.3Very high98.2Very high36 Ų3625.6 Ų25.637%0.37115%0.147SC..THydrogen-bonded Turntrans81.711.8-179.900000114.9T128 V236 R237 S238T128-G240 VanDerWaalsContact CG2-O 3.28Å; T128-G240 WeakPolarHBondContact CG2-O 3.17Å; V236-G240 PolarHBondContact O-N 3.03Å; R237-G240 PolarHBondContact O-N 3.42Å; S238-G240 VanDerWaalsContact C-N 3.33Å
241G98.8Very high98.3Very high5 Ų523.1 Ų23.15%0.05213%0.13CC..  trans-89.8174.9172.800000113.2I207 A208 V236I207-G241 WeakPolarHBondContact O-CA 3.41Å; A208-G241 WeakPolarHBondContact O-CA 3.45Å; V236-G241 PolarHBondContact O-N 3.28Å
242V98.9Very high98.3Very high3 Ų321.1 Ų21.12%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-117.1153.4173.7-60.50000112.3A124 Y127 T128 A208 A209 F210 V244 D272 I273 I295A124-V242 HydrophobicContact CB-CG2 3.48Å; A124-V242 VanDerWaalsContact CB-CG2 3.48Å; Y127-V242 HydrophobicContact CD1-CG1 3.63Å; Y127-V242 HydrophobicContact CE1-CG1 3.84Å; T128-V242 HydrophobicContact CG2-CG1 4.01Å; A208-V242 WeakPolarHBondContact O-CG2 3.26Å; A208-V242 PolarHBondContact O-N 3.06Å; A209-V242 CarbonylContact C-O 3.57Å; A209-V242 VanDerWaalsContact CA-O 3.28Å; A209-V242 WeakPolarHBondContact CA-O 3.45Å; A209-V242 HydrophobicContact CB-CG2 4.33Å; F210-V242 PolarHBondContact N-O 3.06Å; V242-V244 HydrophobicContact CG2-CG2 4.49Å; V242-D272 HydrophobicContact CB-CB 3.93Å; V242-D272 HydrophobicContact CG1-CB 4.38Å; V242-I273 HydrophobicContact CG2-CD1 4.32Å; V242-I295 HydrophobicContact CG1-CD1 4.11Å
243F98.9Very high98.3Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-94.2124.4174.4-167.2-71.8000111.1F210 F229 V232 A233 A245 F269 P271 D272 I273F210-F243 AromaticContact CD1-CD2 3.66Å; F210-F243 HydrophobicContact CD1-CD2 3.66Å; F210-F243 AromaticContact CD1-CE2 3.36Å; F210-F243 HydrophobicContact CD1-CE2 3.36Å; F210-F243 HydrophobicContact CD1-CG 4.4Å; F210-F243 AromaticContact CD1-CZ 3.85Å; F210-F243 HydrophobicContact CD1-CZ 3.85Å; F210-F243 HydrophobicContact CE1-CD2 4.29Å; F210-F243 AromaticContact CE1-CE2 3.52Å; F210-F243 HydrophobicContact CE1-CE2 3.52Å; F210-F243 AromaticContact CE1-CZ 3.79Å; F210-F243 HydrophobicContact CE1-CZ 3.79Å; F210-F243 HydrophobicContact CG-CE2 4.48Å; F229-F243 HydrophobicContact CB-CE2 4.43Å; F229-F243 HydrophobicContact CB-CZ 4.21Å; F229-F243 HydrophobicContact CD1-CE2 4.18Å; F229-F243 AromaticContact CD1-CZ 3.69Å; F229-F243 HydrophobicContact CD1-CZ 3.69Å; F229-F243 HydrophobicContact CD2-CE1 4.3Å; F229-F243 AromaticContact CD2-CZ 3.84Å; F229-F243 HydrophobicContact CD2-CZ 3.84Å; F229-F243 AromaticContact CE1-CZ 3.89Å; F229-F243 HydrophobicContact CE1-CZ 3.89Å; F229-F243 HydrophobicContact CE2-CE1 4.39Å; F229-F243 HydrophobicContact CE2-CZ 4.07Å; F229-F243 HydrophobicContact CG-CE2 4.26Å; F229-F243 AromaticContact CG-CZ 3.67Å; F229-F243 HydrophobicContact CG-CZ 3.67Å; F229-F243 HydrophobicContact CZ-CZ 4.08Å; V232-F243 HydrophobicContact CB-CE2 4.35Å; V232-F243 HydrophobicContact CG1-CD2 4.23Å; V232-F243 HydrophobicContact CG1-CE2 3.95Å; A233-F243 HydrophobicContact CB-CB 4.3Å; A233-F243 HydrophobicContact CB-CD2 3.78Å; A233-F243 HydrophobicContact CB-CE2 4.5Å; A233-F243 HydrophobicContact CB-CG 4.28Å; F243-A245 HydrophobicContact CE1-CB 4.18Å; F243-F269 AromaticContact CD1-CZ 3.95Å; F243-F269 HydrophobicContact CD1-CZ 3.95Å; F243-F269 HydrophobicContact CD2-CZ 4.38Å; F243-F269 HydrophobicContact CE1-CE1 4.32Å; F243-F269 AromaticContact CE1-CZ 3.77Å; F243-F269 HydrophobicContact CE1-CZ 3.77Å; F243-F269 HydrophobicContact CE2-CZ 4.2Å; F243-F269 HydrophobicContact CG-CZ 4.26Å; F243-F269 AromaticContact CZ-CZ 3.9Å; F243-F269 HydrophobicContact CZ-CZ 3.9Å; F243-P271 HydrophobicContact CD1-CB 3.67Å; F243-P271 HydrophobicContact CE1-CB 4.32Å; F243-D272 PolarHBondContact N-OD2 2.85Å; F243-D272 PolarHBondContact O-N 3.38Å; F243-I273 PolarHBondContact O-N 3.38Å; F243-I273 VanDerWaalsContact O-N 3.13Å
244V98.9Very high98.3Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-109.2118.8174.6-170.50000110.3A120 A209 F210 F211 A212 V242 I273 T275A120-V244 HydrophobicContact CB-CG1 4.09Å; A209-V244 HydrophobicContact CB-CG2 4.13Å; F210-V244 PolarHBondContact O-N 3.24Å; F211-V244 HydrophobicContact CD1-CB 4.49Å; F211-V244 HydrophobicContact CD1-CG1 4.31Å; F211-V244 HydrophobicContact CD2-CB 3.79Å; F211-V244 HydrophobicContact CD2-CG1 3.93Å; F211-V244 HydrophobicContact CD2-CG2 4Å; F211-V244 HydrophobicContact CE1-CG1 3.95Å; F211-V244 HydrophobicContact CE2-CB 3.9Å; F211-V244 HydrophobicContact CE2-CG1 3.53Å; F211-V244 HydrophobicContact CE2-CG2 4.1Å; F211-V244 HydrophobicContact CG-CB 4.1Å; F211-V244 HydrophobicContact CG-CG1 4.31Å; F211-V244 HydrophobicContact CZ-CB 4.3Å; F211-V244 HydrophobicContact CZ-CG1 3.53Å; A212-V244 PolarHBondContact N-O 3.27Å; A212-V244 VanDerWaalsContact N-O 3.15Å; V242-V244 HydrophobicContact CG2-CG2 4.49Å; V244-I273 WeakPolarHBondContact CA-O 3.36Å; V244-I273 HydrophobicContact CG1-CB 4.17Å; V244-I273 HydrophobicContact CG1-CG2 4.29Å; V244-I273 HydrophobicContact CG2-CB 4.15Å; V244-I273 HydrophobicContact CG2-CD1 4.28Å; V244-T275 HydrophobicContact CG1-CG2 4.27Å
245A98.8Very high98.3Very high0 Ų015.6 Ų15.60%010%0.095CC..EExtended strand (participates in β ladder)trans-96.8116.4172.500000110.4F243 E247 F262 P271 I273 V274 T275F243-A245 HydrophobicContact CE1-CB 4.18Å; A245-E247 PolarHBondContact O-N 3.15Å; A245-F262 HydrophobicContact CB-CB 4.27Å; A245-F262 HydrophobicContact CB-CD1 4.15Å; A245-F262 HydrophobicContact CB-CG 4.48Å; A245-P271 HydrophobicContact CB-CB 3.81Å; A245-P271 HydrophobicContact CB-CG 3.82Å; A245-I273 PolarHBondContact N-O 3.19Å; A245-V274 HydrophobicContact CB-CG2 4.45Å; A245-V274 WeakPolarHBondContact O-CA 3.46Å; A245-T275 PolarHBondContact O-N 2.94Å
246D98.8Very high98.3Very high5 Ų514.3 Ų14.33%0.0279%0.089CC..EExtended strand (participates in β ladder)trans-86.7103.9173.4-174.5-23.4000109.9N117 H141 F211 A212 E213 S214 V248 T275N117-D246 PolarHBondContact ND2-OD2 3.45Å; H141-D246 IonicContact CE1-OD2 3.25Å; H141-D246 IonicContact CG-OD2 2.72Å; H141-D246 IonicContact ND1-OD2 3.86Å; H141-D246 PolarHBondContact ND1-OD2 3.08Å; F211-D246 HydrophobicContact CD1-CB 4.44Å; F211-D246 HydrophobicContact CE1-CB 4.03Å; A212-D246 PolarHBondContact O-N 2.99Å; E213-D246 HydrophobicContact CG-CB 4.41Å; S214-D246 PolarHBondContact N-O 3.33Å; D246-V248 WeakPolarHBondContact OD1-CB 3.43Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.41Å; D246-V248 PolarHBondContact OD1-N 3.12Å; D246-T275 WeakPolarHBondContact CA-OG1 3.43Å
247E98.8Very high98.2Very high0 Ų017.7 Ų17.70%011%0.11CC..  trans-100.712.5179.3-71.6-68.1171.600112.5S214 A245 Q249 T250 G251 W260 A261 F262 V274 T275S214-E247 WeakPolarHBondContact CB-OE1 3.05Å; S214-E247 VanDerWaalsContact OG-CD 3.3Å; S214-E247 PolarHBondContact OG-OE1 3.14Å; A245-E247 PolarHBondContact O-N 3.15Å; E247-Q249 PolarHBondContact O-N 3.49Å; E247-T250 PolarHBondContact O-N 2.7Å; E247-T250 PolarHBondContact OE2-OG1 3.01Å; E247-G251 PolarHBondContact O-N 2.89Å; E247-G251 PolarHBondContact OE2-N 2.88Å; E247-W260 HydrophobicContact CB-CE3 3.71Å; E247-W260 HydrophobicContact CB-CZ3 4.08Å; E247-W260 HydrophobicContact CG-CB 4.32Å; E247-W260 HydrophobicContact CG-CE3 3.85Å; E247-A261 VanDerWaalsContact CD-N 3.3Å; E247-A261 PolarHBondContact OE1-N 3.16Å; E247-A261 WeakPolarHBondContact OE2-CB 3.45Å; E247-A261 PolarHBondContact OE2-N 2.91Å; E247-F262 HydrophobicContact CG-CD1 4.01Å; E247-F262 VanDerWaalsContact OE1-CD1 3.22Å; E247-F262 WeakPolarHBondContact OE1-CD1 3.39Å; E247-F262 PolarHBondContact OE1-N 2.59Å; E247-V274 HydrophobicContact CB-CG1 4.19Å; E247-V274 HydrophobicContact CG-CG1 3.9Å; E247-T275 WeakPolarHBondContact CA-O 3.26Å; E247-T275 WeakPolarHBondContact CB-O 3.34Å; E247-T275 PolarHBondContact N-O 2.7Å
248V98.3Very high98.2Very high8 Ų815.5 Ų15.55%0.04810%0.104CC..THydrogen-bonded Turntrans-60.7-32.5-176178.30000110.8D246 K278D246-V248 WeakPolarHBondContact OD1-CB 3.43Å; D246-V248 WeakPolarHBondContact OD1-CG2 3.41Å; D246-V248 PolarHBondContact OD1-N 3.12Å; V248-K278 HydrophobicContact CG1-CB 4.12Å; V248-K278 HydrophobicContact CG1-CD 3.94Å; V248-K278 HydrophobicContact CG1-CG 3.61Å; V248-K278 WeakPolarHBondContact O-CB 3.01Å; V248-K278 WeakPolarHBondContact O-CD 3.22Å
249Q95.8Very high98.1Very high22 Ų2211.4 Ų11.410%0.1037%0.073CC..THydrogen-bonded Turntrans-85.8-32.3176.9-66.9-74.423.700114.2N56 E247 K278N56-Q249 PolarHBondContact ND2-O 2.96Å; N56-Q249 PolarHBondContact ND2-OE1 3.07Å; E247-Q249 PolarHBondContact O-N 3.49Å; Q249-K278 VanDerWaalsContact OE1-NZ 3.12Å
250T96.3Very high98.2Very high0 Ų010.4 Ų10.40%07%0.065CC..THydrogen-bonded Turntrans-127.4-1.8-153.651.40000114.4L215 E247 R254 A261 F366L215-T250 HydrophobicContact CB-CG2 3.77Å; L215-T250 HydrophobicContact CD1-CG2 4.07Å; L215-T250 HydrophobicContact CG-CG2 4.21Å; E247-T250 PolarHBondContact O-N 2.7Å; E247-T250 PolarHBondContact OE2-OG1 3.01Å; T250-R254 WeakPolarHBondContact O-CB 3.36Å; T250-A261 HydrophobicContact CG2-CB 4.5Å; T250-F366 HydrophobicContact CG2-CD2 3.97Å; T250-F366 HydrophobicContact CG2-CE2 3.72Å; T250-F366 HydrophobicContact CG2-CZ 4.14Å
251G97.9Very high98.2Very high0 Ų08.8 Ų8.80%05%0.048CC..THydrogen-bonded Turntrans-71.7-173.6173.300000113.6E247 G253 R254 F259E247-G251 PolarHBondContact O-N 2.89Å; E247-G251 PolarHBondContact OE2-N 2.88Å; G251-G253 VanDerWaalsContact C-N 3.27Å; G251-G253 PolarHBondContact O-N 3.35Å; G251-R254 PolarHBondContact O-N 2.87Å; G251-F259 CarbonylContact C-O 3.54Å
252F98.6Very high98.1Very high1 Ų18.5 Ų8.50%0.0045%0.046CC..THydrogen-bonded Turntrans60.629.4175.6-66-99.8000114.7H59 L96 F259 W260 M276 P279 M280 V323 L324 I327H59-F252 PolarHBondContact CE1-O 2.89Å; H59-F252 PolarHBondContact NE2-O 2.96Å; L96-F252 HydrophobicContact CD2-CE1 4.21Å; L96-F252 HydrophobicContact CD2-CZ 4.1Å; F252-F259 HydrophobicContact CB-CE1 4.38Å; F252-F259 HydrophobicContact CB-CZ 4.38Å; F252-F259 AromaticContact CD1-CE1 4Å; F252-F259 HydrophobicContact CD1-CE1 4Å; F252-F259 AromaticContact CD1-CZ 3.84Å; F252-F259 HydrophobicContact CD1-CZ 3.84Å; F252-F259 HydrophobicContact CE1-CE1 4.39Å; F252-F259 HydrophobicContact CE1-CZ 4.4Å; F252-F259 HydrophobicContact CG-CE1 4.13Å; F252-F259 HydrophobicContact CG-CZ 4.27Å; F252-F259 PolarHBondContact N-O 3.4Å; F252-W260 AromaticContact CD2-CH2 3.99Å; F252-W260 HydrophobicContact CD2-CH2 3.99Å; F252-W260 AromaticContact CD2-CZ3 3.87Å; F252-W260 HydrophobicContact CD2-CZ3 3.87Å; F252-W260 AromaticContact CE2-CH2 3.53Å; F252-W260 HydrophobicContact CE2-CH2 3.53Å; F252-W260 AromaticContact CE2-CZ3 3.72Å; F252-W260 HydrophobicContact CE2-CZ3 3.72Å; F252-W260 AromaticContact CZ-CH2 3.88Å; F252-W260 HydrophobicContact CZ-CH2 3.88Å; F252-M276 HydrophobicContact CE2-CB 4.18Å; F252-M276 HydrophobicContact CZ-SD 4.39Å; F252-P279 HydrophobicContact CB-CB 4.14Å; F252-P279 HydrophobicContact CB-CG 4.08Å; F252-P279 HydrophobicContact CD2-CB 4.27Å; F252-P279 HydrophobicContact CD2-CG 3.54Å; F252-P279 HydrophobicContact CE2-CG 4.31Å; F252-P279 HydrophobicContact CG-CB 4.26Å; F252-P279 HydrophobicContact CG-CG 4.01Å; F252-M280 HydrophobicContact CE1-CB 4.22Å; F252-M280 HydrophobicContact CE1-CG 4.17Å; F252-M280 HydrophobicContact CE2-CB 3.78Å; F252-M280 HydrophobicContact CE2-CG 4.17Å; F252-M280 HydrophobicContact CZ-CB 3.54Å; F252-M280 HydrophobicContact CZ-CG 3.51Å; F252-M280 HydrophobicContact CZ-SD 4.26Å; F252-V323 HydrophobicContact CD1-CG1 4.43Å; F252-L324 HydrophobicContact CD1-CD2 4.05Å; F252-L324 HydrophobicContact CE1-CD2 3.9Å; F252-I327 HydrophobicContact CB-CD1 3.99Å; F252-I327 HydrophobicContact CD1-CD1 4.04Å
253G98.3Very high98.1Very high0 Ų010.4 Ų10.40%05%0.054CC..THydrogen-bonded Turntrans88.97.6174.500000115G251 T255 G256 H258 F259 M416G251-G253 VanDerWaalsContact C-N 3.27Å; G251-G253 PolarHBondContact O-N 3.35Å; G253-T255 PolarHBondContact O-N 3.49Å; G253-T255 VanDerWaalsContact O-N 3.14Å; G253-G256 WeakPolarHBondContact O-CA 3.49Å; G253-G256 PolarHBondContact O-N 2.86Å; G253-H258 VanDerWaalsContact CA-O 3.32Å; G253-H258 WeakPolarHBondContact CA-O 3.19Å; G253-F259 PolarHBondContact N-O 2.87Å; G253-M416 WeakPolarHBondContact O-CE 3.16Å
254R98.4Very high98Very high1 Ų112.2 Ų12.20%0.0046%0.063CC..THydrogen-bonded Turntrans-50.3-38.4-179.3174.45552.4179.9-2113.9H59 T250 G251 G256 L365 F366 P414H59-R254 PolarHBondContact ND1-NH2 3.02Å; T250-R254 WeakPolarHBondContact O-CB 3.36Å; G251-R254 PolarHBondContact O-N 2.87Å; R254-G256 PolarHBondContact O-N 2.8Å; R254-L365 WeakPolarHBondContact CD-O 3.29Å; R254-L365 VanDerWaalsContact NH1-CB 3.27Å; R254-L365 PolarHBondContact NH1-O 3.05Å; R254-L365 PolarHBondContact O-N 2.75Å; R254-L365 VanDerWaalsContact O-N 3.07Å; R254-F366 HydrophobicContact CG-CB 4Å; R254-P414 VanDerWaalsContact CZ-O 3.27Å; R254-P414 PolarHBondContact NH1-O 3Å; R254-P414 PolarHBondContact NH2-O 2.97Å
255T97.9Very high97.9Very high2 Ų212.9 Ų12.91%0.0127%0.067CC..THydrogen-bonded Turntrans-79.3-6.6179.7630000112.9L215 G253 T257 H258 A261 L264 V363L215-T255 HydrophobicContact CD1-CG2 3.74Å; G253-T255 PolarHBondContact O-N 3.49Å; G253-T255 VanDerWaalsContact O-N 3.14Å; T255-T257 VanDerWaalsContact C-N 3.33Å; T255-T257 PolarHBondContact O-N 3.48Å; T255-H258 PolarHBondContact OG1-O 2.96Å; T255-A261 HydrophobicContact CG2-CB 3.66Å; T255-L264 HydrophobicContact CG2-CD1 3.88Å; T255-V363 HydrophobicContact CG2-CG1 3.96Å
256G98.1Very high97.5Very high0 Ų014.3 Ų14.30%08%0.082CC..SBendtrans81-71.6-178.900000112.2G253 R254 H258 R333G253-G256 WeakPolarHBondContact O-CA 3.49Å; G253-G256 PolarHBondContact O-N 2.86Å; R254-G256 PolarHBondContact O-N 2.8Å; G256-H258 PolarHBondContact O-N 2.66Å; G256-H258 VanDerWaalsContact O-N 3.13Å; G256-R333 WeakPolarHBondContact CA-O 3.35Å; G256-R333 WeakPolarHBondContact O-CB 3.47Å; G256-R333 PolarHBondContact O-NE 2.88Å
257T97.1Very high96.8Very high70 Ų7023.1 Ų23.143%0.42912%0.123SC..SBendtrans-61.3-26.9-173.152.20000113.5T255 R333 I337T255-T257 VanDerWaalsContact C-N 3.33Å; T255-T257 PolarHBondContact O-N 3.48Å; T257-R333 PolarHBondContact O-NH2 3.38Å; T257-I337 HydrophobicContact CG2-CD1 4.06Å; T257-I337 HydrophobicContact CG2-CG1 4.21Å
258H97.8Very high96.3Very high51 Ų5131 Ų3124%0.23617%0.165CC..  trans-128.2156.7-177.5-63.982.3000111.3G253 T255 G256 W260 Q263 L264G253-H258 VanDerWaalsContact CA-O 3.32Å; G253-H258 WeakPolarHBondContact CA-O 3.19Å; T255-H258 PolarHBondContact OG1-O 2.96Å; G256-H258 PolarHBondContact O-N 2.66Å; G256-H258 VanDerWaalsContact O-N 3.13Å; H258-W260 WeakPolarHBondContact CB-O 3.37Å; H258-Q263 HydrophobicContact CB-CB 3.97Å; H258-Q263 WeakPolarHBondContact CD2-CB 3.2Å; H258-L264 WeakPolarHBondContact ND1-CD2 3.41Å
259F98.3Very high96.2Very high15 Ų1531 Ų317%0.06616%0.164CC..SBendtrans-78.9-36.2174.9-159.4-83.7000111T99 G251 F252 G253 L324 I327T99-F259 HydrophobicContact CG2-CD1 4.07Å; T99-F259 HydrophobicContact CG2-CD2 3.91Å; T99-F259 HydrophobicContact CG2-CE1 4.08Å; T99-F259 HydrophobicContact CG2-CE2 3.95Å; T99-F259 HydrophobicContact CG2-CG 3.98Å; T99-F259 HydrophobicContact CG2-CZ 4.03Å; G251-F259 CarbonylContact C-O 3.54Å; F252-F259 HydrophobicContact CB-CE1 4.38Å; F252-F259 HydrophobicContact CB-CZ 4.38Å; F252-F259 AromaticContact CD1-CE1 4Å; F252-F259 HydrophobicContact CD1-CE1 4Å; F252-F259 AromaticContact CD1-CZ 3.84Å; F252-F259 HydrophobicContact CD1-CZ 3.84Å; F252-F259 HydrophobicContact CE1-CE1 4.39Å; F252-F259 HydrophobicContact CE1-CZ 4.4Å; F252-F259 HydrophobicContact CG-CE1 4.13Å; F252-F259 HydrophobicContact CG-CZ 4.27Å; F252-F259 PolarHBondContact N-O 3.4Å; G253-F259 PolarHBondContact N-O 2.87Å; F259-L324 HydrophobicContact CE1-CD2 4.5Å; F259-L324 HydrophobicContact CE2-CD2 4.3Å; F259-L324 HydrophobicContact CZ-CD2 3.57Å; F259-I327 HydrophobicContact CE2-CG2 4.4Å
260W98.6Very high96.3Very high0 Ų030.7 Ų30.70%016%0.164CC..SBendtrans-119.8136.3177.1-51.7103000110L96 T99 L100 E247 F252 H258 F262 Q263 M276L96-W260 HydrophobicContact CD2-CZ2 4.47Å; T99-W260 PolarHBondContact O-NE1 2.77Å; T99-W260 VanDerWaalsContact O-NE1 3.14Å; T99-W260 PolarHBondContact OG1-NE1 3.15Å; L100-W260 HydrophobicContact CD2-CD2 4.2Å; L100-W260 HydrophobicContact CD2-CG 4.16Å; L100-W260 HydrophobicContact CD2-CZ2 4.29Å; L100-W260 VanDerWaalsContact CD2-NE1 3.28Å; L100-W260 HydrophobicContact CG-CZ2 4.4Å; E247-W260 HydrophobicContact CB-CE3 3.71Å; E247-W260 HydrophobicContact CB-CZ3 4.08Å; E247-W260 HydrophobicContact CG-CB 4.32Å; E247-W260 HydrophobicContact CG-CE3 3.85Å; F252-W260 AromaticContact CD2-CH2 3.99Å; F252-W260 HydrophobicContact CD2-CH2 3.99Å; F252-W260 AromaticContact CD2-CZ3 3.87Å; F252-W260 HydrophobicContact CD2-CZ3 3.87Å; F252-W260 AromaticContact CE2-CH2 3.53Å; F252-W260 HydrophobicContact CE2-CH2 3.53Å; F252-W260 AromaticContact CE2-CZ3 3.72Å; F252-W260 HydrophobicContact CE2-CZ3 3.72Å; F252-W260 AromaticContact CZ-CH2 3.88Å; F252-W260 HydrophobicContact CZ-CH2 3.88Å; H258-W260 WeakPolarHBondContact CB-O 3.37Å; W260-F262 VanDerWaalsContact C-N 3.31Å; W260-F262 HydrophobicContact CB-CD1 3.64Å; W260-F262 HydrophobicContact CB-CE1 3.34Å; W260-F262 HydrophobicContact CB-CG 4.46Å; W260-F262 HydrophobicContact CB-CZ 3.96Å; W260-F262 HydrophobicContact CG-CD1 4.49Å; W260-F262 AromaticContact CG-CE1 3.77Å; W260-F262 HydrophobicContact CG-CE1 3.77Å; W260-F262 HydrophobicContact CG-CZ 4.3Å; W260-F262 PolarHBondContact O-N 3.26Å; W260-Q263 HydrophobicContact CB-CG 4.2Å; W260-Q263 VanDerWaalsContact O-CB 3.32Å; W260-Q263 WeakPolarHBondContact O-CB 3.42Å; W260-Q263 WeakPolarHBondContact O-CG 3.34Å; W260-Q263 PolarHBondContact O-N 3.2Å; W260-Q263 PolarHBondContact O-OE1 2.77Å; W260-M276 HydrophobicContact CH2-CB 4.16Å; W260-M276 HydrophobicContact CH2-CE 3.49Å; W260-M276 VanDerWaalsContact CH2-CE 3.49Å; W260-M276 HydrophobicContact CH2-CG 4.46Å; W260-M276 HydrophobicContact CH2-SD 3.48Å; W260-M276 WeakPolarHBondContact CH2-SD 3.45Å; W260-M276 HydrophobicContact CZ2-CE 3.81Å; W260-M276 HydrophobicContact CZ2-SD 4.15Å; W260-M276 HydrophobicContact CZ3-CB 3.98Å; W260-M276 HydrophobicContact CZ3-CE 4.05Å; W260-M276 HydrophobicContact CZ3-SD 4.24Å
261A98.2Very high96.4Very high1 Ų130.7 Ų30.71%0.00816%0.164CC..G310 helixtrans-69.8-25.2-172.900000113.9L215 E247 T250 T255 Q263 L264L215-A261 HydrophobicContact CD1-CB 3.98Å; L215-A261 HydrophobicContact CG-CB 3.99Å; E247-A261 VanDerWaalsContact CD-N 3.3Å; E247-A261 PolarHBondContact OE1-N 3.16Å; E247-A261 WeakPolarHBondContact OE2-CB 3.45Å; E247-A261 PolarHBondContact OE2-N 2.91Å; T250-A261 HydrophobicContact CG2-CB 4.5Å; T255-A261 HydrophobicContact CG2-CB 3.66Å; A261-Q263 PolarHBondContact O-N 3.17Å; A261-Q263 VanDerWaalsContact O-N 3.12Å; A261-L264 VanDerWaalsContact O-CB 3.24Å; A261-L264 WeakPolarHBondContact O-CB 3.48Å; A261-L264 WeakPolarHBondContact O-CG 3.44Å; A261-L264 PolarHBondContact O-N 3.32Å
262F98.4Very high96.4Very high0 Ų031.5 Ų31.50%017%0.168CC..G310 helixtrans-58.3-26.8174.971-106.8000111.9L100 P101 S214 F229 A245 E247 W260 L264 Q265 F269 P271 V274L100-F262 HydrophobicContact CD2-CE1 4.33Å; L100-F262 HydrophobicContact CD2-CZ 4.31Å; P101-F262 HydrophobicContact CG-CE2 4.03Å; P101-F262 HydrophobicContact CG-CZ 4.13Å; S214-F262 WeakPolarHBondContact OG-CB 3.33Å; S214-F262 PolarHBondContact OG-N 2.76Å; F229-F262 HydrophobicContact CD2-CB 4.38Å; F229-F262 HydrophobicContact CE2-CB 4.27Å; A245-F262 HydrophobicContact CB-CB 4.27Å; A245-F262 HydrophobicContact CB-CD1 4.15Å; A245-F262 HydrophobicContact CB-CG 4.48Å; E247-F262 HydrophobicContact CG-CD1 4.01Å; E247-F262 VanDerWaalsContact OE1-CD1 3.22Å; E247-F262 WeakPolarHBondContact OE1-CD1 3.39Å; E247-F262 PolarHBondContact OE1-N 2.59Å; W260-F262 VanDerWaalsContact C-N 3.31Å; W260-F262 HydrophobicContact CB-CD1 3.64Å; W260-F262 HydrophobicContact CB-CE1 3.34Å; W260-F262 HydrophobicContact CB-CG 4.46Å; W260-F262 HydrophobicContact CB-CZ 3.96Å; W260-F262 HydrophobicContact CG-CD1 4.49Å; W260-F262 AromaticContact CG-CE1 3.77Å; W260-F262 HydrophobicContact CG-CE1 3.77Å; W260-F262 HydrophobicContact CG-CZ 4.3Å; W260-F262 PolarHBondContact O-N 3.26Å; F262-L264 PolarHBondContact O-N 2.93Å; F262-Q265 WeakPolarHBondContact O-CB 3.37Å; F262-Q265 PolarHBondContact O-N 2.75Å; F262-Q265 VanDerWaalsContact O-N 3.07Å; F262-F269 HydrophobicContact CB-CD1 4.23Å; F262-F269 HydrophobicContact CB-CE1 4.01Å; F262-F269 AromaticContact CD2-CD1 3.91Å; F262-F269 HydrophobicContact CD2-CD1 3.91Å; F262-F269 HydrophobicContact CD2-CE1 4.18Å; F262-F269 HydrophobicContact CG-CE1 4.42Å; F262-P271 HydrophobicContact CD1-CG 4.19Å; F262-P271 HydrophobicContact CD2-CG 4.32Å; F262-P271 HydrophobicContact CE1-CG 4.19Å; F262-P271 HydrophobicContact CE2-CG 4.32Å; F262-P271 HydrophobicContact CG-CG 4.29Å; F262-P271 HydrophobicContact CZ-CG 4.26Å; F262-V274 HydrophobicContact CD1-CG2 4.35Å; F262-V274 HydrophobicContact CE1-CG1 4.44Å; F262-V274 HydrophobicContact CE1-CG2 3.78Å; F262-V274 HydrophobicContact CZ-CG2 4.42Å
263Q97.7Very high96.5Very high43 Ų4331.5 Ų31.520%0.20117%0.168CC..G310 helixtrans-65.9-18.7178.9-57.2176.1-67.300112H258 W260 A261 Q265 G266H258-Q263 HydrophobicContact CB-CB 3.97Å; H258-Q263 WeakPolarHBondContact CD2-CB 3.2Å; W260-Q263 HydrophobicContact CB-CG 4.2Å; W260-Q263 VanDerWaalsContact O-CB 3.32Å; W260-Q263 WeakPolarHBondContact O-CB 3.42Å; W260-Q263 WeakPolarHBondContact O-CG 3.34Å; W260-Q263 PolarHBondContact O-N 3.2Å; W260-Q263 PolarHBondContact O-OE1 2.77Å; A261-Q263 PolarHBondContact O-N 3.17Å; A261-Q263 VanDerWaalsContact O-N 3.12Å; Q263-Q265 PolarHBondContact O-N 2.97Å; Q263-G266 PolarHBondContact O-N 2.7Å
264L96.9Very high96.5Very high37 Ų3731.5 Ų31.519%0.19417%0.168CC..G310 helixtrans-62.3-19.2172-66.6171.8000113L215 Q226 T255 H258 A261 F262 G266 V363L215-L264 HydrophobicContact CD1-CD1 4.31Å; L215-L264 HydrophobicContact CD2-CD1 4.34Å; Q226-L264 PolarHBondContact NE2-O 3.5Å; Q226-L264 PolarHBondContact OE1-O 3.29Å; T255-L264 HydrophobicContact CG2-CD1 3.88Å; H258-L264 WeakPolarHBondContact ND1-CD2 3.41Å; A261-L264 VanDerWaalsContact O-CB 3.24Å; A261-L264 WeakPolarHBondContact O-CB 3.48Å; A261-L264 WeakPolarHBondContact O-CG 3.44Å; A261-L264 PolarHBondContact O-N 3.32Å; F262-L264 PolarHBondContact O-N 2.93Å; L264-G266 VanDerWaalsContact C-N 3.25Å; L264-G266 PolarHBondContact O-N 2.91Å; L264-V363 HydrophobicContact CD1-CG1 3.88Å
265Q96.4Very high96.5Very high15 Ų1531.4 Ų31.47%0.0717%0.168CC..G310 helixtrans-82.8-0.4179.8-66.9-79.5-51.300113.6L224 P225 Y228 F229 F262 Q263 F269L224-Q265 PolarHBondContact O-NE2 2.96Å; P225-Q265 PolarHBondContact O-NE2 3.22Å; P225-Q265 PolarHBondContact O-OE1 2.96Å; Y228-Q265 VanDerWaalsContact N-OE1 3.09Å; F229-Q265 HydrophobicContact CB-CB 3.93Å; F229-Q265 HydrophobicContact CB-CG 3.76Å; F229-Q265 HydrophobicContact CD2-CB 4.27Å; F229-Q265 HydrophobicContact CD2-CG 3.58Å; F229-Q265 HydrophobicContact CE2-CG 4.33Å; F229-Q265 HydrophobicContact CG-CB 4.38Å; F229-Q265 HydrophobicContact CG-CG 3.71Å; F262-Q265 WeakPolarHBondContact O-CB 3.37Å; F262-Q265 PolarHBondContact O-N 2.75Å; F262-Q265 VanDerWaalsContact O-N 3.07Å; Q263-Q265 PolarHBondContact O-N 2.97Å; Q265-F269 HydrophobicContact CB-CB 4.41Å; Q265-F269 HydrophobicContact CB-CD1 4.3Å; Q265-F269 HydrophobicContact CB-CG 4.35Å
266G91.2Very high96.5Very high30 Ų3031.3 Ų31.331%0.30917%0.167SC..  trans131.9149.4175.800000112.3Q263 L264 D268 F269Q263-G266 PolarHBondContact O-N 2.7Å; L264-G266 VanDerWaalsContact C-N 3.25Å; L264-G266 PolarHBondContact O-N 2.91Å; G266-D268 PolarHBondContact O-N 2.65Å; G266-F269 WeakPolarHBondContact O-CB 3.37Å; G266-F269 PolarHBondContact O-N 3.06Å
267E84.1Confident96.5Very high190 Ų19031.4 Ų31.489%0.88817%0.168SC*.THydrogen-bonded Turntrans-60.8-32.6-178.1-63.6-17316700112.9
268D88.5Confident96.6Very high165 Ų16531.1 Ų31.188%0.88216%0.161SC*.THydrogen-bonded Turntrans-83.4-10.3178.9-62-43.6000113.3G266 C270G266-D268 PolarHBondContact O-N 2.65Å; D268-C270 PolarHBondContact O-N 3.21Å
269F95.7Very high96.6Very high8 Ų828.7 Ų28.74%0.03515%0.15CC..  trans-73.8122.7179.8-178.9-104.2000110.5F229 A233 F243 F262 Q265 G266 P271F229-F269 HydrophobicContact CB-CD1 4.22Å; F229-F269 HydrophobicContact CB-CD2 4.05Å; F229-F269 HydrophobicContact CB-CE1 3.88Å; F229-F269 HydrophobicContact CB-CE2 3.68Å; F229-F269 HydrophobicContact CB-CG 4.32Å; F229-F269 HydrophobicContact CB-CZ 3.61Å; F229-F269 HydrophobicContact CD2-CD1 4.23Å; F229-F269 AromaticContact CD2-CE1 3.62Å; F229-F269 HydrophobicContact CD2-CE1 3.62Å; F229-F269 AromaticContact CD2-CZ 3.97Å; F229-F269 HydrophobicContact CD2-CZ 3.97Å; F229-F269 HydrophobicContact CG-CE1 4.19Å; F229-F269 HydrophobicContact CG-CZ 4.13Å; F229-F269 WeakPolarHBondContact O-CE2 3.21Å; A233-F269 HydrophobicContact CB-CE2 3.8Å; F243-F269 AromaticContact CD1-CZ 3.95Å; F243-F269 HydrophobicContact CD1-CZ 3.95Å; F243-F269 HydrophobicContact CD2-CZ 4.38Å; F243-F269 HydrophobicContact CE1-CE1 4.32Å; F243-F269 AromaticContact CE1-CZ 3.77Å; F243-F269 HydrophobicContact CE1-CZ 3.77Å; F243-F269 HydrophobicContact CE2-CZ 4.2Å; F243-F269 HydrophobicContact CG-CZ 4.26Å; F243-F269 AromaticContact CZ-CZ 3.9Å; F243-F269 HydrophobicContact CZ-CZ 3.9Å; F262-F269 HydrophobicContact CB-CD1 4.23Å; F262-F269 HydrophobicContact CB-CE1 4.01Å; F262-F269 AromaticContact CD2-CD1 3.91Å; F262-F269 HydrophobicContact CD2-CD1 3.91Å; F262-F269 HydrophobicContact CD2-CE1 4.18Å; F262-F269 HydrophobicContact CG-CE1 4.42Å; Q265-F269 HydrophobicContact CB-CB 4.41Å; Q265-F269 HydrophobicContact CB-CD1 4.3Å; Q265-F269 HydrophobicContact CB-CG 4.35Å; G266-F269 WeakPolarHBondContact O-CB 3.37Å; G266-F269 PolarHBondContact O-N 3.06Å; F269-P271 HydrophobicContact CE1-CB 4.48Å; F269-P271 HydrophobicContact CZ-CB 4.48Å
270C97.6Very high96.6Very high15 Ų1528 Ų2810%0.10115%0.147CC..  trans-136.4122.8172.8-1740000111P101 K103 R237 D268P101-C270 HydrophobicContact CB-CB 4.07Å; P101-C270 WeakPolarHBondContact CB-SG 3.46Å; P101-C270 HydrophobicContact CG-CB 4.1Å; P101-C270 VanDerWaalsContact CG-SG 3.58Å; K103-C270 HydrophobicContact CD-CB 3.93Å; K103-C270 WeakPolarHBondContact CD-SG 3.38Å; K103-C270 WeakPolarHBondContact CE-SG 3.44Å; K103-C270 WeakPolarHBondContact CG-SG 3.24Å; K103-C270 PolarHBondContact NZ-O 3.06Å; R237-C270 PolarHBondContact NH2-O 2.92Å; D268-C270 PolarHBondContact O-N 3.21Å
271P98.6Very high96.6Very high0 Ų028 Ų280%015%0.147CC..  trans-68.8172171.633-36.9000110.7K103 L104 F243 A245 F262 F269 V274K103-P271 WeakPolarHBondContact CE-O 3.34Å; K103-P271 PolarHBondContact NZ-O 3.35Å; L104-P271 HydrophobicContact CD1-CG 4.21Å; F243-P271 HydrophobicContact CD1-CB 3.67Å; F243-P271 HydrophobicContact CE1-CB 4.32Å; A245-P271 HydrophobicContact CB-CB 3.81Å; A245-P271 HydrophobicContact CB-CG 3.82Å; F262-P271 HydrophobicContact CD1-CG 4.19Å; F262-P271 HydrophobicContact CD2-CG 4.32Å; F262-P271 HydrophobicContact CE1-CG 4.19Å; F262-P271 HydrophobicContact CE2-CG 4.32Å; F262-P271 HydrophobicContact CG-CG 4.29Å; F262-P271 HydrophobicContact CZ-CG 4.26Å; F269-P271 HydrophobicContact CE1-CB 4.48Å; F269-P271 HydrophobicContact CZ-CB 4.48Å; P271-V274 HydrophobicContact CB-CG2 4.44Å; P271-V274 HydrophobicContact CG-CG2 3.41Å; P271-V274 VanDerWaalsContact CG-CG2 3.41Å
272D98.9Very high96.6Very high18 Ų1828.8 Ų28.810%0.09615%0.151CC..SBendtrans-95.4-29179.1-55.6-44.9000111.4K103 L104 R237 V242 F243 T291 I295K103-D272 IonicContact NZ-OD1 2.97Å; K103-D272 PolarHBondContact NZ-OD1 2.79Å; L104-D272 WeakPolarHBondContact CD2-O 3.21Å; R237-D272 IonicContact CZ-OD1 3.82Å; R237-D272 IonicContact CZ-OD2 3.93Å; R237-D272 IonicContact NE-OD1 2.67Å; R237-D272 PolarHBondContact NE-OD1 3.26Å; R237-D272 IonicContact NE-OD2 3.36Å; R237-D272 PolarHBondContact NE-OD2 3.45Å; R237-D272 VanDerWaalsContact NE-OD2 3.09Å; R237-D272 VanDerWaalsContact NH2-CG 3.34Å; R237-D272 IonicContact NH2-OD1 3.55Å; R237-D272 PolarHBondContact NH2-OD1 3.07Å; R237-D272 IonicContact NH2-OD2 3.56Å; R237-D272 PolarHBondContact NH2-OD2 2.84Å; V242-D272 HydrophobicContact CB-CB 3.93Å; V242-D272 HydrophobicContact CG1-CB 4.38Å; F243-D272 PolarHBondContact N-OD2 2.85Å; F243-D272 PolarHBondContact O-N 3.38Å; D272-T291 PolarHBondContact O-OG1 3.41Å; D272-I295 HydrophobicContact CB-CD1 3.91Å
273I98.9Very high96.4Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-134.5139.1172.4-51.6-179.3000108.8A120 L123 A124 V242 F243 V244 A245 V289 A290 I295A120-I273 HydrophobicContact CB-CG2 3.78Å; L123-I273 HydrophobicContact CB-CD1 3.98Å; A124-I273 HydrophobicContact CB-CD1 4.38Å; V242-I273 HydrophobicContact CG2-CD1 4.32Å; F243-I273 PolarHBondContact O-N 3.38Å; F243-I273 VanDerWaalsContact O-N 3.13Å; V244-I273 WeakPolarHBondContact CA-O 3.36Å; V244-I273 HydrophobicContact CG1-CB 4.17Å; V244-I273 HydrophobicContact CG1-CG2 4.29Å; V244-I273 HydrophobicContact CG2-CB 4.15Å; V244-I273 HydrophobicContact CG2-CD1 4.28Å; A245-I273 PolarHBondContact N-O 3.19Å; I273-V289 HydrophobicContact CG2-CG1 3.36Å; I273-A290 CarbonylContact C-O 3.54Å; I273-A290 WeakPolarHBondContact CA-O 3.4Å; I273-I295 HydrophobicContact CD1-CD1 4.31Å; I273-I295 HydrophobicContact CD1-CG2 4.31Å; I273-I295 HydrophobicContact CG1-CD1 3.89Å
274V98.9Very high96.4Very high0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-120.8131.5170.6178.80000109L100 L104 A245 E247 F262 P271 M276 V289 A290L100-V274 HydrophobicContact CD2-CG2 4.34Å; L104-V274 HydrophobicContact CD1-CG2 3.54Å; A245-V274 HydrophobicContact CB-CG2 4.45Å; A245-V274 WeakPolarHBondContact O-CA 3.46Å; E247-V274 HydrophobicContact CB-CG1 4.19Å; E247-V274 HydrophobicContact CG-CG1 3.9Å; F262-V274 HydrophobicContact CD1-CG2 4.35Å; F262-V274 HydrophobicContact CE1-CG1 4.44Å; F262-V274 HydrophobicContact CE1-CG2 3.78Å; F262-V274 HydrophobicContact CZ-CG2 4.42Å; P271-V274 HydrophobicContact CB-CG2 4.44Å; P271-V274 HydrophobicContact CG-CG2 3.41Å; P271-V274 VanDerWaalsContact CG-CG2 3.41Å; V274-M276 HydrophobicContact CG1-CE 3.96Å; V274-V289 WeakPolarHBondContact O-CA 3.32Å; V274-A290 HydrophobicContact CB-CB 4.45Å; V274-A290 PolarHBondContact N-O 3.3Å; V274-A290 PolarHBondContact O-N 3.05Å
275T98.9Very high96.5Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-109.7141172.962.30000110.7A116 N117 A120 V244 A245 D246 E247 V289A116-T275 HydrophobicContact CB-CG2 4.33Å; N117-T275 WeakPolarHBondContact OD1-CB 3.39Å; N117-T275 VanDerWaalsContact OD1-CG2 3.24Å; N117-T275 WeakPolarHBondContact OD1-CG2 3.32Å; N117-T275 PolarHBondContact OD1-OG1 2.82Å; A120-T275 HydrophobicContact CB-CG2 3.52Å; V244-T275 HydrophobicContact CG1-CG2 4.27Å; A245-T275 PolarHBondContact O-N 2.94Å; D246-T275 WeakPolarHBondContact CA-OG1 3.43Å; E247-T275 WeakPolarHBondContact CA-O 3.26Å; E247-T275 WeakPolarHBondContact CB-O 3.34Å; E247-T275 PolarHBondContact N-O 2.7Å; T275-V289 HydrophobicContact CG2-CG1 4.46Å; T275-V289 HydrophobicContact CG2-CG2 4.33Å
276M98.6Very high96.6Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-145153.1-175.160.2-172.274.700110.9L96 L100 F252 W260 V274 M280 A287 C288 A290L96-M276 HydrophobicContact CD1-SD 4.33Å; L96-M276 HydrophobicContact CD2-SD 4.2Å; L100-M276 HydrophobicContact CD1-CE 4.39Å; F252-M276 HydrophobicContact CE2-CB 4.18Å; F252-M276 HydrophobicContact CZ-SD 4.39Å; W260-M276 HydrophobicContact CH2-CB 4.16Å; W260-M276 HydrophobicContact CH2-CE 3.49Å; W260-M276 VanDerWaalsContact CH2-CE 3.49Å; W260-M276 HydrophobicContact CH2-CG 4.46Å; W260-M276 HydrophobicContact CH2-SD 3.48Å; W260-M276 WeakPolarHBondContact CH2-SD 3.45Å; W260-M276 HydrophobicContact CZ2-CE 3.81Å; W260-M276 HydrophobicContact CZ2-SD 4.15Å; W260-M276 HydrophobicContact CZ3-CB 3.98Å; W260-M276 HydrophobicContact CZ3-CE 4.05Å; W260-M276 HydrophobicContact CZ3-SD 4.24Å; V274-M276 HydrophobicContact CG1-CE 3.96Å; M276-M280 HydrophobicContact CG-SD 3.89Å; M276-M280 HydrophobicContact SD-CE 4.5Å; M276-M280 HydrophobicContact SD-SD 4.33Å; M276-A287 CarbonylContact O-C 3.58Å; M276-A287 WeakPolarHBondContact O-CA 3.47Å; M276-A287 WeakPolarHBondContact O-CB 3.4Å; M276-C288 HydrophobicContact CG-CB 3.8Å; M276-C288 WeakPolarHBondContact CG-O 3.47Å; M276-C288 PolarHBondContact N-O 2.77Å; M276-C288 PolarHBondContact O-N 3.03Å; M276-C288 HydrophobicContact SD-CB 4.1Å; M276-A290 HydrophobicContact CE-CB 4.08Å
277G98.3Very high96.9Very high1 Ų131.7 Ų31.71%0.0117%0.173CC..  trans-171.3-136.2-17500000110.2P279 M280G277-P279 WeakPolarHBondContact O-CD 3.28Å; G277-M280 WeakPolarHBondContact O-CB 3.3Å; G277-M280 PolarHBondContact O-N 2.91Å
278K97.6Very high97.6Very high64 Ų6422.7 Ų22.728%0.27813%0.131SC..G310 helixtrans31.1-91.6173.5-71.7-173.4-171.1101.70114.7V57 V248 Q249 M280V57-K278 HydrophobicContact CG2-CB 4Å; V57-K278 HydrophobicContact CG2-CD 4.17Å; V57-K278 HydrophobicContact CG2-CG 3.93Å; V248-K278 HydrophobicContact CG1-CB 4.12Å; V248-K278 HydrophobicContact CG1-CD 3.94Å; V248-K278 HydrophobicContact CG1-CG 3.61Å; V248-K278 WeakPolarHBondContact O-CB 3.01Å; V248-K278 WeakPolarHBondContact O-CD 3.22Å; Q249-K278 VanDerWaalsContact OE1-NZ 3.12Å; K278-M280 PolarHBondContact O-N 2.95Å; K278-M280 VanDerWaalsContact O-N 3.15Å
279P97.9Very high98.1Very high1 Ų114.8 Ų14.81%0.0069%0.089CC..G310 helixtrans-60.7-24.6-17728.7-39.5000114.2H59 F252 G277 G281 N282H59-P279 HydrophobicContact CB-CB 3.45Å; H59-P279 VanDerWaalsContact CB-CB 3.45Å; H59-P279 VanDerWaalsContact CG-CB 3.41Å; H59-P279 VanDerWaalsContact ND1-CB 3.3Å; H59-P279 WeakPolarHBondContact ND1-CB 3.29Å; F252-P279 HydrophobicContact CB-CB 4.14Å; F252-P279 HydrophobicContact CB-CG 4.08Å; F252-P279 HydrophobicContact CD2-CB 4.27Å; F252-P279 HydrophobicContact CD2-CG 3.54Å; F252-P279 HydrophobicContact CE2-CG 4.31Å; F252-P279 HydrophobicContact CG-CB 4.26Å; F252-P279 HydrophobicContact CG-CG 4.01Å; G277-P279 WeakPolarHBondContact O-CD 3.28Å; P279-G281 PolarHBondContact O-N 3.05Å; P279-G281 VanDerWaalsContact O-N 3.09Å; P279-N282 PolarHBondContact O-N 3.16Å
280M98.3Very high98.2Very high0 Ų014.4 Ų14.40%09%0.087CC..G310 helixtrans-52.8-33.4-174.5-172.8173.5-179.300114.4Y92 L96 F109 F252 M276 G277 K278 L286 A287 C288Y92-M280 HydrophobicContact CD1-CE 4.39Å; Y92-M280 HydrophobicContact CE1-CE 3.28Å; Y92-M280 VanDerWaalsContact OH-CE 3.22Å; Y92-M280 WeakPolarHBondContact OH-CE 3.4Å; Y92-M280 WeakPolarHBondContact OH-CG 3.32Å; L96-M280 HydrophobicContact CD1-CE 3.93Å; F109-M280 HydrophobicContact CD1-CE 4.15Å; F109-M280 HydrophobicContact CE1-CE 3.92Å; F252-M280 HydrophobicContact CE1-CB 4.22Å; F252-M280 HydrophobicContact CE1-CG 4.17Å; F252-M280 HydrophobicContact CE2-CB 3.78Å; F252-M280 HydrophobicContact CE2-CG 4.17Å; F252-M280 HydrophobicContact CZ-CB 3.54Å; F252-M280 HydrophobicContact CZ-CG 3.51Å; F252-M280 HydrophobicContact CZ-SD 4.26Å; M276-M280 HydrophobicContact CG-SD 3.89Å; M276-M280 HydrophobicContact SD-CE 4.5Å; M276-M280 HydrophobicContact SD-SD 4.33Å; G277-M280 WeakPolarHBondContact O-CB 3.3Å; G277-M280 PolarHBondContact O-N 2.91Å; K278-M280 PolarHBondContact O-N 2.95Å; K278-M280 VanDerWaalsContact O-N 3.15Å; M280-L286 HydrophobicContact CE-CD1 3.97Å; M280-L286 HydrophobicContact CE-CD2 4.23Å; M280-L286 HydrophobicContact CE-CG 3.83Å; M280-L286 HydrophobicContact CG-CD2 3.89Å; M280-L286 HydrophobicContact CG-CG 3.78Å; M280-L286 HydrophobicContact SD-CG 3.92Å; M280-A287 VanDerWaalsContact SD-CA 3.56Å; M280-C288 HydrophobicContact CE-CB 3.59Å; M280-C288 HydrophobicContact SD-CB 4.08Å
281G98.1Very high98.3Very high1 Ų113.7 Ų13.71%0.018%0.083CC..G310 helixtrans-111.65.3179.700000114.5P279 G283 H284 I319P279-G281 PolarHBondContact O-N 3.05Å; P279-G281 VanDerWaalsContact O-N 3.09Å; G281-G283 PolarHBondContact O-N 2.89Å; G281-G283 VanDerWaalsContact O-N 3.08Å; G281-H284 VanDerWaalsContact O-CB 3.28Å; G281-H284 WeakPolarHBondContact O-CB 3.4Å; G281-H284 PolarHBondContact O-N 3.36Å; G281-I319 WeakPolarHBondContact O-CG2 3.41Å
282N98.3Very high98.3Very high16 Ų1614.2 Ų14.29%0.0869%0.086CC..THydrogen-bonded Turntrans47.434.9-170.7-159.254.4000114V57 Q58 H59 V60 G61 I67 P279 V323V57-N282 CarbonylContact O-C 3.58Å; V57-N282 VanDerWaalsContact O-CA 3.29Å; V57-N282 WeakPolarHBondContact O-CA 3.42Å; Q58-N282 VanDerWaalsContact CA-OD1 3.25Å; Q58-N282 WeakPolarHBondContact CA-OD1 3.4Å; H59-N282 PolarHBondContact N-OD1 2.81Å; V60-N282 HydrophobicContact CG2-CB 4.1Å; V60-N282 VanDerWaalsContact CG2-CG 3.41Å; V60-N282 WeakPolarHBondContact CG2-ND2 3.46Å; V60-N282 WeakPolarHBondContact CG2-OD1 3.27Å; V60-N282 PolarHBondContact N-OD1 3.1Å; G61-N282 PolarHBondContact O-ND2 3.05Å; I67-N282 HydrophobicContact CG1-CB 4.45Å; P279-N282 PolarHBondContact O-N 3.16Å; N282-V323 HydrophobicContact CB-CG2 3.83Å
283G94.3Very high98.3Very high41 Ų4115.4 Ų15.442%0.4239%0.094SC..THydrogen-bonded Turntrans106.6-17.5-173.900000115.8G281G281-G283 PolarHBondContact O-N 2.89Å; G281-G283 VanDerWaalsContact O-N 3.08Å
284H98.3Very high98.3Very high62 Ų6220.5 Ų20.529%0.28712%0.117SC..SBendtrans-72.6138.9170-173.477.6000111G281 L286 S316 I319G281-H284 VanDerWaalsContact O-CB 3.28Å; G281-H284 WeakPolarHBondContact O-CB 3.4Å; G281-H284 PolarHBondContact O-N 3.36Å; H284-L286 PolarHBondContact O-N 3.5Å; H284-S316 PolarHBondContact NE2-OG 3.09Å; H284-I319 HydrophobicContact CB-CD1 3.86Å; H284-I319 HydrophobicContact CB-CG2 4.03Å; H284-I319 VanDerWaalsContact CG-CD1 3.46Å
285P98.4Very high98.3Very high79 Ų7920.6 Ų20.651%0.51312%0.118SC..SBendtrans-60.2104.2175.3-23.534.6000111.7N111N111-P285 HydrophobicContact CB-CB 4.45Å; N111-P285 CarbonylContact O-C 3.44Å
286L98.6Very high98.3Very high5 Ų521 Ų213%0.02612%0.121CC..  trans-159.1129.3-179.3178.457000109.3Y92 F109 N111 M280 H284 S316Y92-L286 HydrophobicContact CE1-CD1 4.46Å; Y92-L286 HydrophobicContact CE1-CD2 3.88Å; F109-L286 HydrophobicContact CD1-CD1 4.27Å; N111-L286 PolarHBondContact O-N 3.28Å; M280-L286 HydrophobicContact CE-CD1 3.97Å; M280-L286 HydrophobicContact CE-CD2 4.23Å; M280-L286 HydrophobicContact CE-CG 3.83Å; M280-L286 HydrophobicContact CG-CD2 3.89Å; M280-L286 HydrophobicContact CG-CG 3.78Å; M280-L286 HydrophobicContact SD-CG 3.92Å; H284-L286 PolarHBondContact O-N 3.5Å; L286-S316 VanDerWaalsContact CD2-O 3.25Å; L286-S316 WeakPolarHBondContact CD2-O 3.45Å
287A98.8Very high98.2Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-151165.9177.500000109.6V110 S112 A116 M276 M280V110-A287 CarbonylContact C-O 3.48Å; V110-A287 HydrophobicContact CG2-CB 3.65Å; V110-A287 PolarHBondContact N-O 3.46Å; V110-A287 CarbonylContact O-C 3.47Å; V110-A287 PolarHBondContact O-N 3.36Å; S112-A287 WeakPolarHBondContact O-CB 3.43Å; A116-A287 HydrophobicContact CB-CB 4.34Å; M276-A287 CarbonylContact O-C 3.58Å; M276-A287 WeakPolarHBondContact O-CA 3.47Å; M276-A287 WeakPolarHBondContact O-CB 3.4Å; M280-A287 VanDerWaalsContact SD-CA 3.56Å
288C98.2Very high98.2Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-153.9154.7180-179.40000111.6Y108 F109 M276 M280Y108-C288 CarbonylContact O-C 3.54Å; Y108-C288 VanDerWaalsContact O-CA 3.24Å; Y108-C288 WeakPolarHBondContact O-CA 3.48Å; Y108-C288 PolarHBondContact O-SG 2.92Å; F109-C288 HydrophobicContact CD1-CB 3.97Å; F109-C288 HydrophobicContact CE1-CB 4.21Å; M276-C288 HydrophobicContact CG-CB 3.8Å; M276-C288 WeakPolarHBondContact CG-O 3.47Å; M276-C288 PolarHBondContact N-O 2.77Å; M276-C288 PolarHBondContact O-N 3.03Å; M276-C288 HydrophobicContact SD-CB 4.1Å; M280-C288 HydrophobicContact CE-CB 3.59Å; M280-C288 HydrophobicContact SD-CB 4.08Å
289V98.9Very high98.2Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-112.2121.8165.2-172.70000107.9F107 Y108 A116 L119 A120 L123 I273 V274 T275F107-V289 CarbonylContact C-O 3.51Å; F107-V289 WeakPolarHBondContact CA-O 3.37Å; Y108-V289 PolarHBondContact N-O 3.32Å; Y108-V289 PolarHBondContact O-N 3.01Å; A116-V289 HydrophobicContact CB-CG2 3.83Å; A116-V289 WeakPolarHBondContact O-CG2 3.04Å; L119-V289 HydrophobicContact CB-CG2 4.14Å; L119-V289 HydrophobicContact CD2-CB 4.48Å; L119-V289 HydrophobicContact CD2-CG2 4.01Å; L119-V289 HydrophobicContact CG-CG2 4.27Å; A120-V289 HydrophobicContact CB-CG1 4.33Å; L123-V289 HydrophobicContact CD1-CG1 3.87Å; I273-V289 HydrophobicContact CG2-CG1 3.36Å; V274-V289 WeakPolarHBondContact O-CA 3.32Å; T275-V289 HydrophobicContact CG2-CG1 4.46Å; T275-V289 HydrophobicContact CG2-CG2 4.33Å
290A98.9Very high98.2Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-102133.3169.300000109.1L100 V106 F107 I273 V274 M276L100-A290 HydrophobicContact CD1-CB 3.68Å; V106-A290 CarbonylContact O-C 3.55Å; V106-A290 WeakPolarHBondContact O-CA 2.97Å; F107-A290 HydrophobicContact CD1-CB 3.87Å; F107-A290 HydrophobicContact CE1-CB 3.65Å; F107-A290 HydrophobicContact CZ-CB 4.43Å; I273-A290 CarbonylContact C-O 3.54Å; I273-A290 WeakPolarHBondContact CA-O 3.4Å; V274-A290 HydrophobicContact CB-CB 4.45Å; V274-A290 PolarHBondContact N-O 3.3Å; V274-A290 PolarHBondContact O-N 3.05Å; M276-A290 HydrophobicContact CE-CB 4.08Å
291T98.9Very high98.1Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-146.7174.7-176.7-168.90000111.7S105 V106 Y108 L123 D272 I295 A296S105-T291 PolarHBondContact N-O 3.45Å; V106-T291 HydrophobicContact CB-CG2 4.24Å; V106-T291 PolarHBondContact N-O 3.32Å; V106-T291 PolarHBondContact O-N 2.94Å; Y108-T291 HydrophobicContact CD2-CG2 4.38Å; Y108-T291 HydrophobicContact CE2-CG2 3.89Å; L123-T291 HydrophobicContact CD1-CG2 4.34Å; D272-T291 PolarHBondContact O-OG1 3.41Å; T291-I295 HydrophobicContact CG2-CG2 4.47Å; T291-I295 WeakPolarHBondContact OG1-CB 3Å; T291-I295 WeakPolarHBondContact OG1-CG2 3.41Å; T291-A296 HydrophobicContact CG2-CB 4.18Å
292T98.8Very high97.8Very high11 Ų1138 Ų387%0.06722%0.219CC..  trans-76.6158.6175.265.30000112.1K103 L104 E294 I295 A296K103-T292 HydrophobicContact CG-CG2 4.39Å; K103-T292 WeakPolarHBondContact O-CA 3.37Å; L104-T292 HydrophobicContact CD2-CG2 4.29Å; T292-E294 VanDerWaalsContact CB-OE2 3.32Å; T292-E294 WeakPolarHBondContact CB-OE2 3.17Å; T292-E294 PolarHBondContact O-N 2.99Å; T292-I295 PolarHBondContact O-N 3.46Å; T292-I295 WeakPolarHBondContact OG1-CG1 3.18Å; T292-I295 PolarHBondContact OG1-N 3.08Å; T292-A296 WeakPolarHBondContact O-CB 3.42Å; T292-A296 PolarHBondContact O-N 3.02Å; T292-A296 VanDerWaalsContact O-N 3.1Å
293V98.6Very high97.5Very high43 Ų4340.6 Ų40.626%0.26125%0.25SS..Hα-helixtrans-62.5-35.9176.2174.40000110.9V106 R297V106-V293 HydrophobicContact CG2-CB 4.45Å; V106-V293 HydrophobicContact CG2-CG2 3.85Å; V293-R297 HydrophobicContact CG1-CG 4.17Å; V293-R297 VanDerWaalsContact CG1-CZ 3.4Å; V293-R297 VanDerWaalsContact CG1-NE 3.34Å; V293-R297 VanDerWaalsContact O-CB 3.29Å; V293-R297 WeakPolarHBondContact O-CB 3.39Å; V293-R297 WeakPolarHBondContact O-CG 3.33Å; V293-R297 PolarHBondContact O-N 3.21Å
294E98.5Very high97.4Very high106 Ų10642.9 Ų42.950%0.49526%0.256SS..Hα-helixtrans-63.1-48.6-179.9-64.473.4-16200111.6Y127 T292 R297 A298Y127-E294 HydrophobicContact CE2-CB 4.07Å; T292-E294 VanDerWaalsContact CB-OE2 3.32Å; T292-E294 WeakPolarHBondContact CB-OE2 3.17Å; T292-E294 PolarHBondContact O-N 2.99Å; E294-R297 PolarHBondContact O-N 3.01Å; E294-A298 PolarHBondContact O-N 3.2Å; E294-A298 VanDerWaalsContact O-N 3.08Å
295I98.8Very high97.1Very high3 Ų346.3 Ų46.32%0.01527%0.272CS..Hα-helixtrans-65.3-45.7177.9-68.3171.1000110.5L123 Y127 V242 D272 I273 T291 T292 R297 A298 F299L123-I295 HydrophobicContact CB-CG2 3.92Å; L123-I295 HydrophobicContact CD2-CG2 4.45Å; Y127-I295 HydrophobicContact CD1-CG1 3.87Å; Y127-I295 HydrophobicContact CD2-CB 4.3Å; Y127-I295 HydrophobicContact CD2-CG1 3.82Å; Y127-I295 HydrophobicContact CE1-CG1 4.14Å; Y127-I295 HydrophobicContact CE2-CG1 4.1Å; Y127-I295 HydrophobicContact CG-CB 4.38Å; Y127-I295 HydrophobicContact CG-CG1 3.7Å; V242-I295 HydrophobicContact CG1-CD1 4.11Å; D272-I295 HydrophobicContact CB-CD1 3.91Å; I273-I295 HydrophobicContact CD1-CD1 4.31Å; I273-I295 HydrophobicContact CD1-CG2 4.31Å; I273-I295 HydrophobicContact CG1-CD1 3.89Å; T291-I295 HydrophobicContact CG2-CG2 4.47Å; T291-I295 WeakPolarHBondContact OG1-CB 3Å; T291-I295 WeakPolarHBondContact OG1-CG2 3.41Å; T292-I295 PolarHBondContact O-N 3.46Å; T292-I295 WeakPolarHBondContact OG1-CG1 3.18Å; T292-I295 PolarHBondContact OG1-N 3.08Å; I295-R297 VanDerWaalsContact C-N 3.34Å; I295-R297 PolarHBondContact O-N 2.85Å; I295-A298 PolarHBondContact O-N 3.39Å; I295-F299 PolarHBondContact O-N 3.28Å; I295-F299 VanDerWaalsContact O-N 3.07Å
296A98.6Very high97Very high7 Ų745.9 Ų45.96%0.05826%0.26CS..Hα-helixtrans-60.5-42.5177.700000112.4V106 Y108 T291 T292 A298 F299 T300V106-A296 HydrophobicContact CB-CB 3.92Å; V106-A296 HydrophobicContact CG1-CB 3.61Å; V106-A296 HydrophobicContact CG2-CB 4.01Å; Y108-A296 HydrophobicContact CE2-CB 4.35Å; Y108-A296 WeakPolarHBondContact OH-CB 3.46Å; T291-A296 HydrophobicContact CG2-CB 4.18Å; T292-A296 WeakPolarHBondContact O-CB 3.42Å; T292-A296 PolarHBondContact O-N 3.02Å; T292-A296 VanDerWaalsContact O-N 3.1Å; A296-A298 PolarHBondContact O-N 2.92Å; A296-F299 WeakPolarHBondContact O-CB 3.35Å; A296-F299 PolarHBondContact O-N 3.36Å; A296-T300 PolarHBondContact O-N 3.15Å; A296-T300 PolarHBondContact O-OG1 3.09Å
297R98.2Very high96.9Very high171 Ų17148.6 Ų48.665%0.64527%0.272SS*.Hα-helixtrans-62.4-41.8176.3-79.6176.1-179163.73.4112.2V293 E294 I295 F299 T300 A301V293-R297 HydrophobicContact CG1-CG 4.17Å; V293-R297 VanDerWaalsContact CG1-CZ 3.4Å; V293-R297 VanDerWaalsContact CG1-NE 3.34Å; V293-R297 VanDerWaalsContact O-CB 3.29Å; V293-R297 WeakPolarHBondContact O-CB 3.39Å; V293-R297 WeakPolarHBondContact O-CG 3.33Å; V293-R297 PolarHBondContact O-N 3.21Å; E294-R297 PolarHBondContact O-N 3.01Å; I295-R297 VanDerWaalsContact C-N 3.34Å; I295-R297 PolarHBondContact O-N 2.85Å; R297-F299 PolarHBondContact O-N 3.47Å; R297-T300 PolarHBondContact O-N 3.49Å; R297-A301 WeakPolarHBondContact O-CB 3.41Å; R297-A301 PolarHBondContact O-N 3.42Å
298A97.9Very high96.8Very high22 Ų2249.8 Ų49.818%0.18228%0.278CS..Hα-helixtrans-63.7-33.317600000112.3Q126 Y127 E294 I295 A296Q126-A298 WeakPolarHBondContact CG-O 3.14Å; Q126-A298 PolarHBondContact NE2-O 2.89Å; Y127-A298 HydrophobicContact CD2-CB 3.69Å; Y127-A298 HydrophobicContact CG-CB 4.46Å; E294-A298 PolarHBondContact O-N 3.2Å; E294-A298 VanDerWaalsContact O-N 3.08Å; I295-A298 PolarHBondContact O-N 3.39Å; A296-A298 PolarHBondContact O-N 2.92Å
299F97.8Very high96.8Very high5 Ų553.2 Ų53.22%0.02230%0.3CS..Hα-helixtrans-66.7-49.8172.4-167.3-119.9000112.1Y108 L119 R122 L123 Q126 I295 A296 R297 A301 N302 Y306Y108-F299 HydrophobicContact CE1-CD1 4.15Å; Y108-F299 HydrophobicContact CE1-CE1 4.37Å; L119-F299 HydrophobicContact CD1-CE1 4.39Å; L119-F299 HydrophobicContact CD1-CZ 4.16Å; R122-F299 HydrophobicContact CG-CE2 3.98Å; L123-F299 HydrophobicContact CD2-CB 3.52Å; L123-F299 HydrophobicContact CD2-CD1 3.7Å; L123-F299 HydrophobicContact CD2-CD2 3.79Å; L123-F299 HydrophobicContact CD2-CE1 4.3Å; L123-F299 HydrophobicContact CD2-CE2 4.43Å; L123-F299 HydrophobicContact CD2-CG 3.41Å; L123-F299 VanDerWaalsContact CD2-CG 3.41Å; Q126-F299 HydrophobicContact CB-CD2 4.18Å; Q126-F299 HydrophobicContact CG-CB 4.48Å; Q126-F299 HydrophobicContact CG-CD2 3.97Å; I295-F299 PolarHBondContact O-N 3.28Å; I295-F299 VanDerWaalsContact O-N 3.07Å; A296-F299 WeakPolarHBondContact O-CB 3.35Å; A296-F299 PolarHBondContact O-N 3.36Å; R297-F299 PolarHBondContact O-N 3.47Å; F299-A301 PolarHBondContact O-N 3.46Å; F299-N302 PolarHBondContact O-N 3.19Å; F299-N302 PolarHBondContact O-ND2 2.9Å; F299-N302 VanDerWaalsContact O-ND2 3.08Å; F299-N302 PolarHBondContact O-OD1 3.46Å; F299-Y306 HydrophobicContact CE1-CD2 4.22Å; F299-Y306 AromaticContact CE1-CG 3.9Å; F299-Y306 HydrophobicContact CE1-CG 3.9Å; F299-Y306 HydrophobicContact CZ-CD2 4.13Å; F299-Y306 HydrophobicContact CZ-CG 4.27Å
300T96.6Very high96.7Very high101 Ų10159.8 Ų59.862%0.6233%0.328SS*.Hα-helixtrans-58.1-35.8174.6-57.40000112.7A296 R297 N302 G303A296-T300 PolarHBondContact O-N 3.15Å; A296-T300 PolarHBondContact O-OG1 3.09Å; R297-T300 PolarHBondContact O-N 3.49Å; T300-N302 PolarHBondContact O-N 3.44Å; T300-N302 VanDerWaalsContact O-N 3.13Å; T300-G303 PolarHBondContact O-N 3.44Å
301A96.3Very high96.6Very high78 Ų7860 Ų6065%0.64533%0.33SS*.THydrogen-bonded Turntrans-66.7-9.6-178.700000114.6R297 F299 G303R297-A301 WeakPolarHBondContact O-CB 3.41Å; R297-A301 PolarHBondContact O-N 3.42Å; F299-A301 PolarHBondContact O-N 3.46Å; A301-G303 PolarHBondContact O-N 3.04Å
302N92.3Very high96.6Very high47 Ų4760.1 Ų60.125%0.25133%0.331SS..THydrogen-bonded Turntrans-70.1-12.316965.322.9000113.4F299 T300 V304F299-N302 PolarHBondContact O-N 3.19Å; F299-N302 PolarHBondContact O-ND2 2.9Å; F299-N302 VanDerWaalsContact O-ND2 3.08Å; F299-N302 PolarHBondContact O-OD1 3.46Å; T300-N302 PolarHBondContact O-N 3.44Å; T300-N302 VanDerWaalsContact O-N 3.13Å; N302-V304 PolarHBondContact O-N 3.08Å; N302-V304 PolarHBondContact OD1-N 2.88Å; N302-V304 PolarHBondContact OD1-O 3.41Å
303G92.3Very high96.6Very high72 Ų7259.9 Ų59.974%0.74233%0.33SS*.  trans74.26179.400000115T300 A301T300-G303 PolarHBondContact O-N 3.44Å; A301-G303 PolarHBondContact O-N 3.04Å
304V91.4Very high96.6Very high89 Ų8958.2 Ų58.254%0.53932%0.32SS..  trans-105.8127.4-178.2-177.10000109.8N302 Y306N302-V304 PolarHBondContact O-N 3.08Å; N302-V304 PolarHBondContact OD1-N 2.88Å; N302-V304 PolarHBondContact OD1-O 3.41Å; V304-Y306 PolarHBondContact O-N 2.9Å
305E92.3Very high96.6Very high133 Ų13353.2 Ų53.262%0.62130%0.297SS*.  trans-59.3133.8174.7-171.5-167.4-158.200110.9R83R83-E305 IonicContact CZ-OE1 2.89Å; R83-E305 IonicContact NE-OE1 3.08Å; R83-E305 PolarHBondContact NE-OE1 3.02Å; R83-E305 VanDerWaalsContact NH2-CD 3.28Å; R83-E305 IonicContact NH2-OE1 2.98Å; R83-E305 PolarHBondContact NH2-OE1 2.76Å; R83-E305 IonicContact NH2-OE2 2.7Å; R83-E305 PolarHBondContact NH2-OE2 2.96Å
306Y95.8Very high96.6Very high70 Ų7053.3 Ų53.328%0.27530%0.298SS..  trans-104.1127.7162.7176.5-96.6000109.6Y108 V110 L119 F299 V304Y108-Y306 HydrophobicContact CD1-CD1 4.05Å; Y108-Y306 HydrophobicContact CD1-CE1 4.27Å; V110-Y306 WeakPolarHBondContact CG1-OH 3.45Å; L119-Y306 HydrophobicContact CD1-CD2 4.18Å; L119-Y306 HydrophobicContact CD1-CE2 3.76Å; L119-Y306 HydrophobicContact CD2-CE1 3.99Å; L119-Y306 HydrophobicContact CD2-CE2 4.41Å; F299-Y306 HydrophobicContact CE1-CD2 4.22Å; F299-Y306 AromaticContact CE1-CG 3.9Å; F299-Y306 HydrophobicContact CE1-CG 3.9Å; F299-Y306 HydrophobicContact CZ-CD2 4.13Å; F299-Y306 HydrophobicContact CZ-CG 4.27Å; V304-Y306 PolarHBondContact O-N 2.9Å
307F96.3Very high96.6Very high62 Ų6253 Ų5327%0.27230%0.295SS..  trans-142.5135.4179.2177.4-115.1000110.6N81 R83N81-F307 HydrophobicContact CB-CE2 4.3Å; N81-F307 HydrophobicContact CB-CZ 3.98Å; R83-F307 HydrophobicContact CG-CD2 4.03Å; R83-F307 HydrophobicContact CG-CE2 3.65Å; R83-F307 HydrophobicContact CG-CZ 4.35Å
308N97.4Very high96.6Very high25 Ų2545.4 Ų45.413%0.13427%0.269CS..  trans-124.2115.4170.7-175.3-38.7000108.1N111 E115 F310 G311N111-N308 PolarHBondContact ND2-ND2 2.9Å; N111-N308 PolarHBondContact ND2-OD1 3.15Å; E115-N308 PolarHBondContact OE2-ND2 2.9Å; E115-N308 VanDerWaalsContact OE2-ND2 3.15Å; N308-F310 PolarHBondContact O-N 3.26Å; N308-F310 VanDerWaalsContact O-N 3.14Å; N308-F310 PolarHBondContact OD1-N 2.86Å; N308-G311 PolarHBondContact O-N 2.89Å; N308-G311 VanDerWaalsContact O-N 3.1Å; N308-G311 PolarHBondContact OD1-N 3.05Å
309T97.3Very high96.7Very high73 Ų7344.6 Ų44.645%0.44826%0.261SS..THydrogen-bonded Turntrans-53.4-38.5-173.4-56.70000113.6N81N81-T309 VanDerWaalsContact CB-O 3.27Å; N81-T309 WeakPolarHBondContact CB-O 3.11Å
310F97.8Very high96.7Very high138 Ų13844.3 Ų44.361%0.60526%0.26SS*.THydrogen-bonded Turntrans-107.2-3.2-177.8-58-54.5000112.9N111 N308 G312 T313N111-F310 VanDerWaalsContact OD1-C 3.24Å; N111-F310 WeakPolarHBondContact OD1-CB 3.47Å; N111-F310 PolarHBondContact OD1-O 3.44Å; N308-F310 PolarHBondContact O-N 3.26Å; N308-F310 VanDerWaalsContact O-N 3.14Å; N308-F310 PolarHBondContact OD1-N 2.86Å; F310-G312 PolarHBondContact O-N 2.83Å; F310-T313 HydrophobicContact CB-CG2 4.33Å; F310-T313 HydrophobicContact CD1-CG2 4.46Å; F310-T313 VanDerWaalsContact O-CG2 3.27Å; F310-T313 WeakPolarHBondContact O-CG2 3.32Å; F310-T313 PolarHBondContact O-N 2.93Å
311G97.7Very high96.8Very high3 Ų341 Ų413%0.03124%0.238CC..THydrogen-bonded Turntrans-63.4108.1175.800000111.1S82 F109 N308S82-G311 WeakPolarHBondContact CB-O 3.32Å; S82-G311 PolarHBondContact OG-O 3.29Å; S82-G311 VanDerWaalsContact OG-O 3.05Å; F109-G311 VanDerWaalsContact O-CA 3.25Å; F109-G311 WeakPolarHBondContact O-CA 2.95Å; N308-G311 PolarHBondContact O-N 2.89Å; N308-G311 VanDerWaalsContact O-N 3.1Å; N308-G311 PolarHBondContact OD1-N 3.05Å
312G97.6Very high97Very high3 Ų337.7 Ų37.73%0.03121%0.212CC..THydrogen-bonded Turntrans76.333.9174.100000114.2F109 F310 C317F109-G312 VanDerWaalsContact CB-N 3.32Å; F310-G312 PolarHBondContact O-N 2.83Å; G312-C317 PolarHBondContact O-SG 3.15Å
313T98.6Very high97.3Very high7 Ų735.5 Ų35.54%0.04320%0.2CC..  trans-60.1157.4174.180.20000111.9N79 A80 F310 V315 S316 C317N79-T313 WeakPolarHBondContact OD1-CB 3.41Å; N79-T313 PolarHBondContact OD1-OG1 3.13Å; A80-T313 WeakPolarHBondContact O-CB 3.25Å; F310-T313 HydrophobicContact CB-CG2 4.33Å; F310-T313 HydrophobicContact CD1-CG2 4.46Å; F310-T313 VanDerWaalsContact O-CG2 3.27Å; F310-T313 WeakPolarHBondContact O-CG2 3.32Å; F310-T313 PolarHBondContact O-N 2.93Å; T313-V315 VanDerWaalsContact C-N 3.29Å; T313-V315 PolarHBondContact O-N 2.99Å; T313-S316 PolarHBondContact O-N 2.89Å; T313-S316 PolarHBondContact OG1-N 3.26Å; T313-S316 PolarHBondContact OG1-OG 2.59Å; T313-C317 PolarHBondContact O-N 2.79Å; T313-C317 PolarHBondContact O-SG 2.79Å
314P98.7Very high97.6Very high7 Ų732.1 Ų32.15%0.04517%0.165CC..Hα-helixtrans-52.7-43.8177.9-30.436.8000113.8Q74 A80 H86 N88 C317 A318Q74-P314 HydrophobicContact CG-CB 3.93Å; A80-P314 WeakPolarHBondContact O-CD 3.46Å; H86-P314 HydrophobicContact CB-CG 4.35Å; N88-P314 PolarHBondContact ND2-O 2.97Å; N88-P314 VanDerWaalsContact ND2-O 3.09Å; P314-C317 PolarHBondContact O-N 3.02Å; P314-A318 WeakPolarHBondContact O-CB 3.38Å; P314-A318 PolarHBondContact O-N 3.46Å
315V98.8Very high97.9Very high1 Ų130.5 Ų30.51%0.00615%0.153CC..Hα-helixtrans-66.2-46.4179.4173.10000111.2Q74 M75 N79 T313 C317 A318 I319Q74-V315 HydrophobicContact CB-CG2 4.14Å; Q74-V315 HydrophobicContact CG-CB 4.39Å; Q74-V315 HydrophobicContact CG-CG2 3.81Å; M75-V315 HydrophobicContact CB-CG2 4.03Å; M75-V315 HydrophobicContact CE-CG1 3.93Å; M75-V315 HydrophobicContact CE-CG2 4.29Å; N79-V315 HydrophobicContact CB-CG2 3.64Å; N79-V315 VanDerWaalsContact CG-CG2 3.41Å; N79-V315 WeakPolarHBondContact OD1-CB 3.13Å; N79-V315 WeakPolarHBondContact OD1-CG2 3.33Å; N79-V315 PolarHBondContact OD1-N 2.93Å; T313-V315 VanDerWaalsContact C-N 3.29Å; T313-V315 PolarHBondContact O-N 2.99Å; V315-C317 VanDerWaalsContact C-N 3.32Å; V315-C317 PolarHBondContact O-N 3.36Å; V315-A318 PolarHBondContact O-N 2.93Å; V315-I319 HydrophobicContact CG1-CD1 3.88Å; V315-I319 WeakPolarHBondContact O-CG1 3.25Å; V315-I319 PolarHBondContact O-N 2.78Å
316S98.7Very high98.3Very high5 Ų524.4 Ų24.44%0.03513%0.125CC..Hα-helixtrans-60.3-44.1178.3-57.80000111.1H284 L286 T313 I319 G320H284-S316 PolarHBondContact NE2-OG 3.09Å; L286-S316 VanDerWaalsContact CD2-O 3.25Å; L286-S316 WeakPolarHBondContact CD2-O 3.45Å; T313-S316 PolarHBondContact O-N 2.89Å; T313-S316 PolarHBondContact OG1-N 3.26Å; T313-S316 PolarHBondContact OG1-OG 2.59Å; S316-I319 PolarHBondContact O-N 2.94Å; S316-G320 PolarHBondContact O-N 3.26Å
317C98.8Very high98.4Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-68.4-37.2178.4-60.60000112.5N88 Y92 G312 T313 P314 V315 I319 G320 L321N88-C317 HydrophobicContact CB-CB 3.65Å; Y92-C317 HydrophobicContact CD1-CB 4.24Å; G312-C317 PolarHBondContact O-SG 3.15Å; T313-C317 PolarHBondContact O-N 2.79Å; T313-C317 PolarHBondContact O-SG 2.79Å; P314-C317 PolarHBondContact O-N 3.02Å; V315-C317 VanDerWaalsContact C-N 3.32Å; V315-C317 PolarHBondContact O-N 3.36Å; C317-I319 VanDerWaalsContact C-N 3.33Å; C317-I319 PolarHBondContact O-N 2.83Å; C317-G320 PolarHBondContact O-N 2.83Å; C317-L321 WeakPolarHBondContact O-CB 3.41Å; C317-L321 WeakPolarHBondContact O-CG 3.49Å; C317-L321 PolarHBondContact O-N 2.99Å
318A98.9Very high98.5Very high12 Ų1223.8 Ų23.810%0.09913%0.125CC..Hα-helixtrans-61.6-41.6173.800000112Q74 P314 V315 A322Q74-A318 HydrophobicContact CB-CB 3.84Å; Q74-A318 HydrophobicContact CG-CB 3.99Å; P314-A318 WeakPolarHBondContact O-CB 3.38Å; P314-A318 PolarHBondContact O-N 3.46Å; V315-A318 PolarHBondContact O-N 2.93Å; A318-A322 WeakPolarHBondContact O-CB 3.48Å; A318-A322 PolarHBondContact O-N 3.48Å
319I98.9Very high98.6Very high5 Ų530 Ų303%0.02615%0.151CC..Hα-helixtrans-62.3-48.1173.9-72.1165.9000110.5I67 A71 G281 H284 V315 S316 C317 L321 A322 V323I67-I319 HydrophobicContact CG2-CG1 4.5Å; I67-I319 HydrophobicContact CG2-CG2 3.98Å; A71-I319 HydrophobicContact CB-CD1 3.73Å; A71-I319 HydrophobicContact CB-CG1 3.74Å; G281-I319 WeakPolarHBondContact O-CG2 3.41Å; H284-I319 HydrophobicContact CB-CD1 3.86Å; H284-I319 HydrophobicContact CB-CG2 4.03Å; H284-I319 VanDerWaalsContact CG-CD1 3.46Å; V315-I319 HydrophobicContact CG1-CD1 3.88Å; V315-I319 WeakPolarHBondContact O-CG1 3.25Å; V315-I319 PolarHBondContact O-N 2.78Å; S316-I319 PolarHBondContact O-N 2.94Å; C317-I319 VanDerWaalsContact C-N 3.33Å; C317-I319 PolarHBondContact O-N 2.83Å; I319-L321 PolarHBondContact O-N 3.32Å; I319-A322 PolarHBondContact O-N 2.94Å; I319-A322 VanDerWaalsContact O-N 3.15Å; I319-V323 WeakPolarHBondContact O-CG2 3.48Å; I319-V323 PolarHBondContact O-N 3.15Å
320G98.8Very high98.6Very high0 Ų030.9 Ų30.90%015%0.15CC..Hα-helixtrans-58.8-44.8178.300000113Y92 S316 C317 A322 V323 L324Y92-G320 VanDerWaalsContact CE2-C 3.42Å; Y92-G320 WeakPolarHBondContact OH-CA 3.49Å; S316-G320 PolarHBondContact O-N 3.26Å; C317-G320 PolarHBondContact O-N 2.83Å; G320-A322 VanDerWaalsContact C-N 3.34Å; G320-A322 PolarHBondContact O-N 2.86Å; G320-V323 WeakPolarHBondContact O-CB 3.46Å; G320-V323 PolarHBondContact O-N 3.03Å; G320-L324 WeakPolarHBondContact O-CG 3.39Å; G320-L324 PolarHBondContact O-N 3.18Å
321L98.9Very high98.7Very high30 Ų3027.9 Ų27.916%0.15714%0.14CC..Hα-helixtrans-58.9-44.6173.3-74.8165.7000111.7N88 L91 Y92 R95 C317 I319 V323 L324 D325N88-L321 HydrophobicContact CB-CD1 4.45Å; L91-L321 HydrophobicContact CB-CD1 4.28Å; L91-L321 HydrophobicContact CB-CD2 4.5Å; Y92-L321 HydrophobicContact CD2-CD2 4.08Å; Y92-L321 HydrophobicContact CD2-CG 4.06Å; Y92-L321 HydrophobicContact CG-CG 4.29Å; R95-L321 HydrophobicContact CB-CD2 4.34Å; R95-L321 HydrophobicContact CG-CD2 4.02Å; C317-L321 WeakPolarHBondContact O-CB 3.41Å; C317-L321 WeakPolarHBondContact O-CG 3.49Å; C317-L321 PolarHBondContact O-N 2.99Å; I319-L321 PolarHBondContact O-N 3.32Å; L321-V323 VanDerWaalsContact C-N 3.31Å; L321-V323 PolarHBondContact O-N 3.18Å; L321-L324 PolarHBondContact O-N 2.88Å; L321-D325 PolarHBondContact O-N 3.27Å
322A98.9Very high98.7Very high10 Ų1027.9 Ų27.98%0.08314%0.14CC..Hα-helixtrans-64.8-33.4177.100000112.6I67 A70 A318 I319 G320 V326I67-A322 HydrophobicContact CD1-CB 3.67Å; A70-A322 HydrophobicContact CB-CB 3.64Å; A318-A322 WeakPolarHBondContact O-CB 3.48Å; A318-A322 PolarHBondContact O-N 3.48Å; I319-A322 PolarHBondContact O-N 2.94Å; I319-A322 VanDerWaalsContact O-N 3.15Å; G320-A322 VanDerWaalsContact C-N 3.34Å; G320-A322 PolarHBondContact O-N 2.86Å; A322-V326 VanDerWaalsContact O-CG2 3.24Å; A322-V326 WeakPolarHBondContact O-CG2 3.2Å; A322-V326 PolarHBondContact O-N 2.94Å
323V98.9Very high98.8Very high0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-62.6-48.3172.1168.80000110.7V60 I67 F252 N282 I319 G320 L321 D325 V326 I327V60-V323 HydrophobicContact CG1-CG1 4.14Å; I67-V323 HydrophobicContact CD1-CB 4.35Å; I67-V323 HydrophobicContact CD1-CG2 3.58Å; F252-V323 HydrophobicContact CD1-CG1 4.43Å; N282-V323 HydrophobicContact CB-CG2 3.83Å; I319-V323 WeakPolarHBondContact O-CG2 3.48Å; I319-V323 PolarHBondContact O-N 3.15Å; G320-V323 WeakPolarHBondContact O-CB 3.46Å; G320-V323 PolarHBondContact O-N 3.03Å; L321-V323 VanDerWaalsContact C-N 3.31Å; L321-V323 PolarHBondContact O-N 3.18Å; V323-D325 VanDerWaalsContact C-N 3.32Å; V323-D325 PolarHBondContact O-N 3.35Å; V323-V326 PolarHBondContact O-N 3.25Å; V323-I327 HydrophobicContact CG1-CD1 3.81Å; V323-I327 HydrophobicContact CG1-CG1 4.48Å; V323-I327 WeakPolarHBondContact O-CG1 3.3Å; V323-I327 PolarHBondContact O-N 3.16Å
324L98.9Very high98.8Very high2 Ų232.4 Ų32.41%0.0116%0.158CC..Hα-helixtrans-60-43.9178-63.7-176.5000111.8Y92 R95 L96 F252 F259 G320 L321 V326 I327 E328Y92-L324 HydrophobicContact CD2-CD1 3.93Å; Y92-L324 HydrophobicContact CE2-CD1 3.68Å; Y92-L324 HydrophobicContact CE2-CG 4.07Å; R95-L324 HydrophobicContact CB-CD1 3.6Å; L96-L324 HydrophobicContact CD2-CD1 4.46Å; F252-L324 HydrophobicContact CD1-CD2 4.05Å; F252-L324 HydrophobicContact CE1-CD2 3.9Å; F259-L324 HydrophobicContact CE1-CD2 4.5Å; F259-L324 HydrophobicContact CE2-CD2 4.3Å; F259-L324 HydrophobicContact CZ-CD2 3.57Å; G320-L324 WeakPolarHBondContact O-CG 3.39Å; G320-L324 PolarHBondContact O-N 3.18Å; L321-L324 PolarHBondContact O-N 2.88Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.83Å; L324-I327 PolarHBondContact O-N 2.94Å; L324-E328 PolarHBondContact O-N 3.46Å
325D98.9Very high98.8Very high54 Ų5433.4 Ų33.429%0.28916%0.163SC..Hα-helixtrans-57.2-44.6175.7-91.623.2000112.6R95 L321 V323 E328 K329R95-D325 IonicContact NH1-OD1 2.7Å; R95-D325 PolarHBondContact NH1-OD1 3.48Å; L321-D325 PolarHBondContact O-N 3.27Å; V323-D325 VanDerWaalsContact C-N 3.32Å; V323-D325 PolarHBondContact O-N 3.35Å; D325-E328 PolarHBondContact O-N 3.08Å; D325-K329 HydrophobicContact CB-CD 4.38Å; D325-K329 VanDerWaalsContact O-CB 3.24Å; D325-K329 WeakPolarHBondContact O-CB 3.41Å; D325-K329 WeakPolarHBondContact O-CD 3.36Å; D325-K329 WeakPolarHBondContact O-CG 3.21Å; D325-K329 PolarHBondContact O-N 2.67Å; D325-K329 IonicContact OD2-NZ 3.78Å; D325-K329 PolarHBondContact OD2-NZ 2.98Å
326V98.9Very high98.8Very high6 Ų633.3 Ų33.34%0.03616%0.163CC..Hα-helixtrans-69.3-41.3-179.3174.10000111V60 H64 A66 A322 V323 L324 E328 K329 E330 L332V60-V326 HydrophobicContact CB-CB 4.3Å; V60-V326 HydrophobicContact CB-CG1 3.67Å; V60-V326 HydrophobicContact CG1-CB 4.13Å; V60-V326 HydrophobicContact CG1-CG1 3.89Å; V60-V326 HydrophobicContact CG2-CG1 4.22Å; H64-V326 WeakPolarHBondContact CE1-CG2 3.47Å; A66-V326 HydrophobicContact CB-CG2 3.74Å; A322-V326 VanDerWaalsContact O-CG2 3.24Å; A322-V326 WeakPolarHBondContact O-CG2 3.2Å; A322-V326 PolarHBondContact O-N 2.94Å; V323-V326 PolarHBondContact O-N 3.25Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.83Å; V326-E328 PolarHBondContact O-N 2.98Å; V326-K329 PolarHBondContact O-N 2.97Å; V326-E330 HydrophobicContact CG1-CG 4.19Å; V326-E330 WeakPolarHBondContact O-CB 3.45Å; V326-E330 PolarHBondContact O-N 2.88Å; V326-L332 HydrophobicContact CG1-CD1 4.14Å
327I98.8Very high98.8Very high4 Ų436.9 Ų36.92%0.02118%0.18CC..Hα-helixtrans-54.1-41.9175.5-70.6165.4000111.4V60 F252 F259 V323 L324 L332 R333V60-I327 HydrophobicContact CG1-CG1 4Å; F252-I327 HydrophobicContact CB-CD1 3.99Å; F252-I327 HydrophobicContact CD1-CD1 4.04Å; F259-I327 HydrophobicContact CE2-CG2 4.4Å; V323-I327 HydrophobicContact CG1-CD1 3.81Å; V323-I327 HydrophobicContact CG1-CG1 4.48Å; V323-I327 WeakPolarHBondContact O-CG1 3.3Å; V323-I327 PolarHBondContact O-N 3.16Å; L324-I327 PolarHBondContact O-N 2.94Å; I327-L332 HydrophobicContact CG1-CD1 4.15Å; I327-L332 PolarHBondContact O-N 2.97Å; I327-R333 HydrophobicContact CG2-CG 4.42Å
328E98.7Very high98.8Very high114 Ų11442.7 Ų42.753%0.53320%0.202SC..Hα-helixtrans-78.6-51.5-179.7-70.2173.7161.500113R95 L324 D325 V326 E330 D331R95-E328 IonicContact CZ-OE1 2.92Å; R95-E328 IonicContact CZ-OE2 2.79Å; R95-E328 IonicContact NH1-OE2 3.49Å; R95-E328 PolarHBondContact NH1-OE2 2.91Å; R95-E328 IonicContact NH2-OE1 2.93Å; R95-E328 PolarHBondContact NH2-OE1 3.25Å; R95-E328 IonicContact NH2-OE2 3.36Å; R95-E328 PolarHBondContact NH2-OE2 2.7Å; L324-E328 PolarHBondContact O-N 3.46Å; D325-E328 PolarHBondContact O-N 3.08Å; V326-E328 PolarHBondContact O-N 2.98Å; E328-E330 VanDerWaalsContact C-N 3.27Å; E328-E330 PolarHBondContact O-N 3.26Å; E328-D331 PolarHBondContact O-N 3.38Å
329K98.7Very high98.8Very high156 Ų15642.2 Ų42.268%0.67820%0.198SC*.Hα-helixtrans-65.7-30.4-173.7-72.1168-1791650112.6D325 V326D325-K329 HydrophobicContact CB-CD 4.38Å; D325-K329 VanDerWaalsContact O-CB 3.24Å; D325-K329 WeakPolarHBondContact O-CB 3.41Å; D325-K329 WeakPolarHBondContact O-CD 3.36Å; D325-K329 WeakPolarHBondContact O-CG 3.21Å; D325-K329 PolarHBondContact O-N 2.67Å; D325-K329 IonicContact OD2-NZ 3.78Å; D325-K329 PolarHBondContact OD2-NZ 2.98Å; V326-K329 PolarHBondContact O-N 2.97Å
330E98.7Very high98.8Very high92 Ų9242.1 Ų42.143%0.4320%0.198SC..THydrogen-bonded Turntrans-100.69-179.2-58.5-171.4-172.900113.4H64 V326 E328 L332H64-E330 IonicContact CE1-OE1 3.92Å; H64-E330 IonicContact NE2-OE1 3.84Å; H64-E330 PolarHBondContact NE2-OE1 3.09Å; H64-E330 IonicContact NE2-OE2 2.91Å; V326-E330 HydrophobicContact CG1-CG 4.19Å; V326-E330 WeakPolarHBondContact O-CB 3.45Å; V326-E330 PolarHBondContact O-N 2.88Å; E328-E330 VanDerWaalsContact C-N 3.27Å; E328-E330 PolarHBondContact O-N 3.26Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 HydrophobicContact CB-CD2 3.87Å; E330-L332 HydrophobicContact CB-CG 4.11Å; E330-L332 PolarHBondContact O-N 3.49Å
331D98.6Very high98.8Very high74 Ų7444.5 Ų44.540%0.39622%0.218SC..THydrogen-bonded Turntrans49.145.6-178.5-178.938.3000112.4E328 R333 G334 N335 R338E328-D331 PolarHBondContact O-N 3.38Å; D331-R333 PolarHBondContact O-N 3.43Å; D331-G334 PolarHBondContact O-N 3.06Å; D331-G334 VanDerWaalsContact O-N 3.1Å; D331-G334 VanDerWaalsContact OD1-CA 3.24Å; D331-G334 WeakPolarHBondContact OD1-CA 3.11Å; D331-G334 PolarHBondContact OD1-N 3.09Å; D331-G334 WeakPolarHBondContact OD2-CA 3.37Å; D331-N335 PolarHBondContact O-N 3.28Å; D331-R338 IonicContact OD2-CZ 3.38Å; D331-R338 IonicContact OD2-NH1 2.75Å; D331-R338 PolarHBondContact OD2-NH1 2.96Å; D331-R338 IonicContact OD2-NH2 3.97Å; D331-R338 PolarHBondContact OD2-NH2 3.06Å
332L98.8Very high98.8Very high4 Ų445.4 Ų45.42%0.02122%0.221CC..Hα-helixtrans-65.6-30-174.2-64.8-171.4000112.1V60 V326 I327 E330 N335 A336 M416V60-L332 HydrophobicContact CB-CD1 4.03Å; V60-L332 HydrophobicContact CG1-CD1 3.68Å; V326-L332 HydrophobicContact CG1-CD1 4.14Å; I327-L332 HydrophobicContact CG1-CD1 4.15Å; I327-L332 PolarHBondContact O-N 2.97Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 HydrophobicContact CB-CD2 3.87Å; E330-L332 HydrophobicContact CB-CG 4.11Å; E330-L332 PolarHBondContact O-N 3.49Å; L332-N335 PolarHBondContact O-N 3.48Å; L332-A336 WeakPolarHBondContact O-CB 3.24Å; L332-A336 PolarHBondContact O-N 3.35Å; L332-M416 HydrophobicContact CB-CB 4.02Å; L332-M416 HydrophobicContact CB-CE 4.47Å; L332-M416 HydrophobicContact CD1-CB 4.04Å; L332-M416 HydrophobicContact CD2-CB 4.39Å; L332-M416 HydrophobicContact CG-CB 4.39Å; L332-M416 WeakPolarHBondContact O-CE 3.42Å
333R98.6Very high98.8Very high95 Ų9545 Ų4536%0.35822%0.217SC..Hα-helixtrans-65.6-46.6171.4-78.6177.262.6-156.41.2111.8G256 T257 I327 D331 N335 A336 I337G256-R333 WeakPolarHBondContact CA-O 3.35Å; G256-R333 WeakPolarHBondContact O-CB 3.47Å; G256-R333 PolarHBondContact O-NE 2.88Å; T257-R333 PolarHBondContact O-NH2 3.38Å; I327-R333 HydrophobicContact CG2-CG 4.42Å; D331-R333 PolarHBondContact O-N 3.43Å; R333-N335 VanDerWaalsContact C-N 3.3Å; R333-N335 PolarHBondContact O-N 2.95Å; R333-A336 PolarHBondContact O-N 3.11Å; R333-I337 WeakPolarHBondContact O-CG1 3.11Å; R333-I337 PolarHBondContact O-N 3.12Å
334G98.8Very high98.8Very high9 Ų948 Ų489%0.09323%0.23CC..Hα-helixtrans-63.3-37.5174.500000112.1D331 I337 R338D331-G334 PolarHBondContact O-N 3.06Å; D331-G334 VanDerWaalsContact O-N 3.1Å; D331-G334 VanDerWaalsContact OD1-CA 3.24Å; D331-G334 WeakPolarHBondContact OD1-CA 3.11Å; D331-G334 PolarHBondContact OD1-N 3.09Å; D331-G334 WeakPolarHBondContact OD2-CA 3.37Å; G334-I337 PolarHBondContact O-N 3.44Å; G334-R338 WeakPolarHBondContact O-CG 3.39Å; G334-R338 PolarHBondContact O-N 2.92Å; G334-R338 PolarHBondContact O-NH1 2.97Å
335N98.8Very high98.8Very high28 Ų2852 Ų5215%0.1525%0.252CS..Hα-helixtrans-60.5-46.2172.5-167.758.8000111.6D331 L332 R333 I337 R338 V339 M416 F418D331-N335 PolarHBondContact O-N 3.28Å; L332-N335 PolarHBondContact O-N 3.48Å; R333-N335 VanDerWaalsContact C-N 3.3Å; R333-N335 PolarHBondContact O-N 2.95Å; N335-I337 VanDerWaalsContact C-N 3.28Å; N335-I337 PolarHBondContact O-N 2.98Å; N335-R338 PolarHBondContact O-N 3.42Å; N335-V339 WeakPolarHBondContact O-CB 3.25Å; N335-V339 PolarHBondContact O-N 2.95Å; N335-V339 VanDerWaalsContact OD1-CG2 3.24Å; N335-V339 WeakPolarHBondContact OD1-CG2 3.37Å; N335-M416 PolarHBondContact ND2-O 3.26Å; N335-F418 PolarHBondContact ND2-O 2.88Å
336A98.7Very high98.8Very high0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-62.3-34.3177.600000113.3L332 R333 G340 G364 L365 M416L332-A336 WeakPolarHBondContact O-CB 3.24Å; L332-A336 PolarHBondContact O-N 3.35Å; R333-A336 PolarHBondContact O-N 3.11Å; A336-G340 VanDerWaalsContact O-CA 3.26Å; A336-G340 WeakPolarHBondContact O-CA 3.42Å; A336-G340 PolarHBondContact O-N 3.46Å; A336-G364 WeakPolarHBondContact O-CA 3.36Å; A336-L365 HydrophobicContact CB-CB 4.49Å; A336-L365 HydrophobicContact CB-CD1 4.03Å; A336-L365 HydrophobicContact CB-CG 4.01Å; A336-M416 HydrophobicContact CB-CE 3.48Å; A336-M416 VanDerWaalsContact CB-CE 3.48Å; A336-M416 HydrophobicContact CB-SD 4.18Å
337I98.8Very high98.8Very high79 Ų7950.6 Ų50.641%0.40524%0.244SC..Hα-helixtrans-62.9-54.2171.7-66.2169.5000110.2T257 R333 G334 N335 A341T257-I337 HydrophobicContact CG2-CD1 4.06Å; T257-I337 HydrophobicContact CG2-CG1 4.21Å; R333-I337 WeakPolarHBondContact O-CG1 3.11Å; R333-I337 PolarHBondContact O-N 3.12Å; G334-I337 PolarHBondContact O-N 3.44Å; N335-I337 VanDerWaalsContact C-N 3.28Å; N335-I337 PolarHBondContact O-N 2.98Å; I337-A341 WeakPolarHBondContact O-CB 3.45Å; I337-A341 PolarHBondContact O-N 3.28Å; I337-A341 VanDerWaalsContact O-N 3.13Å
338R98.8Very high98.8Very high123 Ų12354.5 Ų54.546%0.46426%0.261SS..Hα-helixtrans-66.3-57-174.1-66.5-176.2-61.6-91.52.1111.7D331 G334 N335 H342 M420D331-R338 IonicContact OD2-CZ 3.38Å; D331-R338 IonicContact OD2-NH1 2.75Å; D331-R338 PolarHBondContact OD2-NH1 2.96Å; D331-R338 IonicContact OD2-NH2 3.97Å; D331-R338 PolarHBondContact OD2-NH2 3.06Å; G334-R338 WeakPolarHBondContact O-CG 3.39Å; G334-R338 PolarHBondContact O-N 2.92Å; G334-R338 PolarHBondContact O-NH1 2.97Å; N335-R338 PolarHBondContact O-N 3.42Å; R338-H342 WeakPolarHBondContact O-CB 3.32Å; R338-H342 PolarHBondContact O-N 2.97Å; R338-H342 VanDerWaalsContact O-N 3.09Å; R338-M420 VanDerWaalsContact C-CE 3.48Å; R338-M420 HydrophobicContact CB-CE 3.76Å; R338-M420 WeakPolarHBondContact O-CE 3.46Å
339V98.9Very high98.8Very high1 Ų155.2 Ų55.21%0.00626%0.263CS..Hα-helixtrans-72.4-37.5-175.3-179.40000111.4N335 H342 L343 L365 F418 S419 M420 A423N335-V339 WeakPolarHBondContact O-CB 3.25Å; N335-V339 PolarHBondContact O-N 2.95Å; N335-V339 VanDerWaalsContact OD1-CG2 3.24Å; N335-V339 WeakPolarHBondContact OD1-CG2 3.37Å; V339-H342 PolarHBondContact O-N 3.13Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 PolarHBondContact O-N 3.1Å; V339-L365 HydrophobicContact CB-CD2 4.37Å; V339-L365 HydrophobicContact CG1-CD2 4.09Å; V339-F418 HydrophobicContact CG1-CD1 3.97Å; V339-S419 WeakPolarHBondContact CG1-O 3.24Å; V339-M420 HydrophobicContact CB-SD 4.29Å; V339-M420 HydrophobicContact CG2-CE 4.09Å; V339-M420 HydrophobicContact CG2-CG 4.19Å; V339-M420 HydrophobicContact CG2-SD 3.9Å; V339-A423 HydrophobicContact CG1-CB 4.43Å
340G98.6Very high98.7Very high3 Ų348 Ų483%0.03123%0.232CC..Hα-helixtrans-62.9-43.3175.800000112.9A336 K344 G364A336-G340 VanDerWaalsContact O-CA 3.26Å; A336-G340 WeakPolarHBondContact O-CA 3.42Å; A336-G340 PolarHBondContact O-N 3.46Å; G340-K344 WeakPolarHBondContact O-CB 3.2Å; G340-K344 PolarHBondContact O-N 3.39Å; G340-G364 WeakPolarHBondContact CA-O 3.14Å
341A98.7Very high98.7Very high50 Ų5045.6 Ų45.641%0.41322%0.22SC..Hα-helixtrans-62.7-45.6173.900000111.3I337 K344 D345I337-A341 WeakPolarHBondContact O-CB 3.45Å; I337-A341 PolarHBondContact O-N 3.28Å; I337-A341 VanDerWaalsContact O-N 3.13Å; A341-K344 PolarHBondContact O-N 3.05Å; A341-D345 PolarHBondContact O-N 2.87Å
342H98.9Very high98.7Very high49 Ų4950 Ų5023%0.22724%0.238CC..Hα-helixtrans-60.9-48.2178.3-174.970.2000112.8R338 V339 K344 D345 L346 M420 E424R338-H342 WeakPolarHBondContact O-CB 3.32Å; R338-H342 PolarHBondContact O-N 2.97Å; R338-H342 VanDerWaalsContact O-N 3.09Å; V339-H342 PolarHBondContact O-N 3.13Å; H342-K344 VanDerWaalsContact C-N 3.32Å; H342-K344 PolarHBondContact O-N 2.87Å; H342-D345 PolarHBondContact O-N 2.88Å; H342-L346 WeakPolarHBondContact NE2-CD1 3.37Å; H342-L346 WeakPolarHBondContact O-CG 3.2Å; H342-L346 PolarHBondContact O-N 2.94Å; H342-M420 HydrophobicContact CB-CE 3.98Å; H342-M420 HydrophobicContact CB-SD 3.35Å; H342-M420 WeakPolarHBondContact CB-SD 3.4Å; H342-M420 PolarHBondContact CD2-SD 3.39Å; H342-E424 IonicContact NE2-OE1 3.55Å
343L98.9Very high98.6Very high1 Ų156.9 Ų56.91%0.00526%0.264CS..Hα-helixtrans-56.4-46.2174.7175.561.1000111.1V339 D345 L346 L347 V367 F412 A423 V426 V427V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 PolarHBondContact O-N 3.1Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.27Å; L343-L346 PolarHBondContact O-N 2.92Å; L343-L347 HydrophobicContact CD1-CD1 4.04Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 4.06Å; L343-L347 WeakPolarHBondContact O-CB 3.4Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.39Å; L343-L347 PolarHBondContact O-N 2.88Å; L343-V367 HydrophobicContact CD2-CB 4.38Å; L343-V367 HydrophobicContact CD2-CG2 4.28Å; L343-F412 HydrophobicContact CD2-CB 4.02Å; L343-F412 HydrophobicContact CD2-CG 4.26Å; L343-A423 HydrophobicContact CB-CB 4.06Å; L343-A423 HydrophobicContact CD1-CB 4.09Å; L343-V426 HydrophobicContact CD1-CG1 4.26Å; L343-V427 HydrophobicContact CD1-CG2 3.73Å
344K98.8Very high98.6Very high63 Ų6352.5 Ų52.527%0.27425%0.247SC..Hα-helixtrans-63.6-39.9179.2-160.3172.488.6-179.40112G340 A341 H342 L347 K348 V360 G362G340-K344 WeakPolarHBondContact O-CB 3.2Å; G340-K344 PolarHBondContact O-N 3.39Å; A341-K344 PolarHBondContact O-N 3.05Å; H342-K344 VanDerWaalsContact C-N 3.32Å; H342-K344 PolarHBondContact O-N 2.87Å; K344-L347 PolarHBondContact O-N 2.85Å; K344-K348 WeakPolarHBondContact O-CB 3.24Å; K344-K348 WeakPolarHBondContact O-CG 3.43Å; K344-K348 PolarHBondContact O-N 2.9Å; K344-V360 HydrophobicContact CG-CG1 3.86Å; K344-G362 PolarHBondContact NZ-O 3.16Å
345D98.8Very high98.5Very high87 Ų8759.6 Ų59.647%0.46528%0.278SS..Hα-helixtrans-67.4-41.3177.8-75.5-9.3000112.1A341 H342 L343 K348 K349A341-D345 PolarHBondContact O-N 2.87Å; H342-D345 PolarHBondContact O-N 2.88Å; L343-D345 VanDerWaalsContact C-N 3.34Å; L343-D345 PolarHBondContact O-N 3.27Å; D345-K348 PolarHBondContact O-N 3.34Å; D345-K349 WeakPolarHBondContact O-CG 3.46Å; D345-K349 PolarHBondContact O-N 3.33Å
346L98.9Very high98.4Very high31 Ų3160 Ų6016%0.16228%0.28CS..Hα-helixtrans-60.1-46.7173.2-72.2176.8000111.3H342 L343 K348 K349 L350 A423 E424 V427H342-L346 WeakPolarHBondContact NE2-CD1 3.37Å; H342-L346 WeakPolarHBondContact O-CG 3.2Å; H342-L346 PolarHBondContact O-N 2.94Å; L343-L346 PolarHBondContact O-N 2.92Å; L346-K348 PolarHBondContact O-N 3.28Å; L346-K349 WeakPolarHBondContact O-CB 3.43Å; L346-K349 PolarHBondContact O-N 3.45Å; L346-L350 PolarHBondContact O-N 2.9Å; L346-A423 HydrophobicContact CD1-CB 4.33Å; L346-E424 HydrophobicContact CD1-CG 4Å; L346-V427 HydrophobicContact CB-CB 4.16Å; L346-V427 HydrophobicContact CB-CG1 3.97Å; L346-V427 HydrophobicContact CB-CG2 3.88Å; L346-V427 HydrophobicContact CD1-CB 4.4Å; L346-V427 HydrophobicContact CD1-CG2 4.29Å
347L98.9Very high98.4Very high0 Ų060 Ų600%028%0.28CS..Hα-helixtrans-64.5-36.8177.1-70.1172.7000112.5L343 K344 L350 Q351 V360 V367 L369 F412 V427L343-L347 HydrophobicContact CD1-CD1 4.04Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 4.06Å; L343-L347 WeakPolarHBondContact O-CB 3.4Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.39Å; L343-L347 PolarHBondContact O-N 2.88Å; K344-L347 PolarHBondContact O-N 2.85Å; L347-L350 CarbonylContact O-C 3.6Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.41Å; L347-Q351 PolarHBondContact O-N 2.72Å; L347-V360 HydrophobicContact CB-CG1 3.69Å; L347-V360 HydrophobicContact CB-CG2 4.18Å; L347-V360 HydrophobicContact CD1-CG1 4.43Å; L347-V367 HydrophobicContact CD1-CG1 3.67Å; L347-L369 HydrophobicContact CB-CD1 4.49Å; L347-L369 HydrophobicContact CD2-CD1 4.18Å; L347-L369 HydrophobicContact CD2-CD2 3.99Å; L347-L369 HydrophobicContact CD2-CG 4.48Å; L347-F412 HydrophobicContact CD1-CD2 4.29Å; L347-F412 HydrophobicContact CD1-CE2 4.1Å; L347-V427 HydrophobicContact CD2-CG2 3.77Å; L347-V427 HydrophobicContact CG-CG2 4Å
348K98.8Very high98.4Very high86 Ų8656.7 Ų56.737%0.37427%0.265SS..Hα-helixtrans-66.7-38.3173.7-79.9-175.5172.2-167.60112.8K344 D345 L346 L350 Q351 Q352 V360K344-K348 WeakPolarHBondContact O-CB 3.24Å; K344-K348 WeakPolarHBondContact O-CG 3.43Å; K344-K348 PolarHBondContact O-N 2.9Å; D345-K348 PolarHBondContact O-N 3.34Å; L346-K348 PolarHBondContact O-N 3.28Å; K348-L350 VanDerWaalsContact C-N 3.27Å; K348-L350 PolarHBondContact O-N 2.9Å; K348-Q351 WeakPolarHBondContact O-CB 3.13Å; K348-Q351 PolarHBondContact O-N 3.41Å; K348-Q352 PolarHBondContact O-N 2.96Å; K348-V360 HydrophobicContact CG-CB 4.03Å; K348-V360 HydrophobicContact CG-CG1 4.04Å; K348-V360 HydrophobicContact CG-CG2 4.43Å
349K98.8Very high98.4Very high129 Ų12952.5 Ų52.556%0.56125%0.252SS*.Hα-helixtrans-62.6-39.3171.2-71170.5-176.4174.80110.7D345 L346 Q352D345-K349 WeakPolarHBondContact O-CG 3.46Å; D345-K349 PolarHBondContact O-N 3.33Å; L346-K349 WeakPolarHBondContact O-CB 3.43Å; L346-K349 PolarHBondContact O-N 3.45Å; K349-Q352 WeakPolarHBondContact O-CB 3.2Å; K349-Q352 PolarHBondContact O-N 2.82Å
350L98.3Very high98.4Very high5 Ų552.9 Ų52.93%0.02625%0.254CS..Hα-helixtrans-65.2-39.4175.4-164.365.7000112.2L346 L347 K348 Q352 R353 H354 I357 V427 I430 D431 L434L346-L350 PolarHBondContact O-N 2.9Å; L347-L350 CarbonylContact O-C 3.6Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.41Å; K348-L350 VanDerWaalsContact C-N 3.27Å; K348-L350 PolarHBondContact O-N 2.9Å; L350-Q352 PolarHBondContact O-N 3.48Å; L350-R353 PolarHBondContact O-N 3.47Å; L350-H354 WeakPolarHBondContact CD1-CD2 3.39Å; L350-H354 PolarHBondContact O-N 3.29Å; L350-I357 HydrophobicContact CB-CD1 4.04Å; L350-I357 HydrophobicContact CD2-CD1 3.86Å; L350-I357 HydrophobicContact CG-CD1 3.64Å; L350-V427 HydrophobicContact CB-CG1 4.45Å; L350-V427 HydrophobicContact CD2-CG1 4.19Å; L350-I430 HydrophobicContact CD2-CB 4.13Å; L350-I430 HydrophobicContact CD2-CG2 3.62Å; L350-D431 HydrophobicContact CD1-CB 3.49Å; L350-D431 VanDerWaalsContact CD1-CB 3.49Å; L350-D431 WeakPolarHBondContact CD1-OD1 3.43Å; L350-L434 HydrophobicContact CD2-CD1 4.35Å
351Q98.6Very high98.3Very high41 Ų4153.8 Ų53.819%0.19226%0.257CS..Hα-helixtrans-57.3-33.8172.7-177.3-177.637.500112.2L347 K348 R353 I357 G358 V360 R375L347-Q351 PolarHBondContact O-N 2.72Å; K348-Q351 WeakPolarHBondContact O-CB 3.13Å; K348-Q351 PolarHBondContact O-N 3.41Å; Q351-R353 PolarHBondContact O-N 3.25Å; Q351-I357 HydrophobicContact CB-CB 4.15Å; Q351-I357 HydrophobicContact CB-CG2 3.66Å; Q351-I357 HydrophobicContact CG-CB 4.15Å; Q351-I357 HydrophobicContact CG-CG2 3.69Å; Q351-G358 PolarHBondContact NE2-O 3.09Å; Q351-V360 HydrophobicContact CB-CG2 4.07Å; Q351-R375 PolarHBondContact O-NH2 3.45Å
352Q98.1Very high98.3Very high166 Ų16651.6 Ų51.678%0.77624%0.24SC*.Hα-helixtrans-70.1-22.4176-66.1172.61.600113.1K348 K349 L350K348-Q352 PolarHBondContact O-N 2.96Å; K349-Q352 WeakPolarHBondContact O-CB 3.2Å; K349-Q352 PolarHBondContact O-N 2.82Å; L350-Q352 PolarHBondContact O-N 3.48Å
353R97.4Very high98.2Very high148 Ų14851.2 Ų51.256%0.55824%0.24SC*.Hα-helixtrans-95.3-36.3-175.9-67174.758.7-166.6-11.5113.4L350 Q351 D431L350-R353 PolarHBondContact O-N 3.47Å; Q351-R353 PolarHBondContact O-N 3.25Å; R353-D431 IonicContact CZ-OD1 3.17Å; R353-D431 VanDerWaalsContact CZ-OD1 3.23Å; R353-D431 IonicContact CZ-OD2 3.19Å; R353-D431 IonicContact NE-OD1 3.52Å; R353-D431 IonicContact NH1-OD1 2.72Å; R353-D431 IonicContact NH1-OD2 2.64Å; R353-D431 PolarHBondContact NH1-OD2 2.91Å; R353-D431 VanDerWaalsContact NH2-CG 3.26Å; R353-D431 IonicContact NH2-OD1 2.92Å; R353-D431 PolarHBondContact NH2-OD1 2.98Å; R353-D431 IonicContact NH2-OD2 3.39Å; R353-D431 PolarHBondContact NH2-OD2 3.47Å
354H97.7Very high98.2Very high3 Ų351.5 Ų51.51%0.01424%0.244CC..  trans-114.1113.2-176.8-61.2-73.3000111.5L350 I356 I357 R375 D431 L434 T435 E438L350-H354 WeakPolarHBondContact CD1-CD2 3.39Å; L350-H354 PolarHBondContact O-N 3.29Å; H354-I356 HydrophobicContact CB-CG2 4.17Å; H354-I356 PolarHBondContact O-N 3.08Å; H354-I356 VanDerWaalsContact O-N 3.13Å; H354-I357 HydrophobicContact CB-CD1 4.13Å; H354-I357 HydrophobicContact CB-CG1 4.37Å; H354-I357 PolarHBondContact O-N 2.78Å; H354-I357 VanDerWaalsContact O-N 3.08Å; H354-R375 PolarHBondContact O-NH2 3.31Å; H354-D431 IonicContact CE1-OD1 2.68Å; H354-D431 IonicContact NE2-OD1 3.02Å; H354-D431 PolarHBondContact NE2-OD1 3.26Å; H354-L434 HydrophobicContact CB-CD1 4.06Å; H354-T435 PolarHBondContact CE1-OG1 2.89Å; H354-T435 VanDerWaalsContact CE1-OG1 3.32Å; H354-E438 IonicContact CE1-OE1 3.23Å; H354-E438 IonicContact CE1-OE2 2.78Å; H354-E438 PolarHBondContact CE1-OE2 2.8Å; H354-E438 IonicContact CG-OE1 2.98Å; H354-E438 IonicContact ND1-OE1 3.85Å; H354-E438 PolarHBondContact ND1-OE1 2.81Å; H354-E438 IonicContact ND1-OE2 2.79Å; H354-E438 PolarHBondContact ND1-OE2 2.83Å; H354-E438 VanDerWaalsContact ND1-OE2 3.13Å
355E96.1Very high98.2Very high159 Ų15948.6 Ų48.674%0.74323%0.231SC*.THydrogen-bonded Turntrans-57.5-30.3-179-67.9-167.7158.400112.7I357 R375E355-I357 PolarHBondContact O-N 2.92Å; E355-I357 VanDerWaalsContact O-N 3.14Å; E355-R375 PolarHBondContact O-NE 3.09Å; E355-R375 PolarHBondContact O-NH2 3.49Å
356I97.4Very high98.2Very high37 Ų3744.4 Ų44.419%0.1921%0.209CC..THydrogen-bonded Turntrans-63.1-19.4180-158.7166.6000113.6H354 G358 L371 V372 A381 T384 L434H354-I356 HydrophobicContact CB-CG2 4.17Å; H354-I356 PolarHBondContact O-N 3.08Å; H354-I356 VanDerWaalsContact O-N 3.13Å; I356-G358 PolarHBondContact O-N 2.94Å; I356-L371 HydrophobicContact CG1-CB 4.44Å; I356-L371 HydrophobicContact CG2-CD2 4.5Å; I356-L371 CarbonylContact O-C 3.48Å; I356-L371 VanDerWaalsContact O-CA 3.24Å; I356-L371 WeakPolarHBondContact O-CA 3.43Å; I356-V372 CarbonylContact C-O 3.6Å; I356-V372 VanDerWaalsContact CA-O 3.25Å; I356-V372 WeakPolarHBondContact CA-O 3.31Å; I356-V372 WeakPolarHBondContact CG1-O 3.28Å; I356-V372 PolarHBondContact O-N 2.75Å; I356-V372 VanDerWaalsContact O-O 3.05Å; I356-A381 HydrophobicContact CD1-CB 4.07Å; I356-A381 HydrophobicContact CG1-CB 4.04Å; I356-T384 HydrophobicContact CD1-CG2 3.28Å; I356-L434 HydrophobicContact CG2-CD1 4.23Å; I356-L434 HydrophobicContact CG2-CD2 4.07Å
357I98.6Very high98.2Very high0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-82.3110174.8-61.3168000108.4L350 Q351 H354 E355 V360 L369 L371 R375 L434L350-I357 HydrophobicContact CB-CD1 4.04Å; L350-I357 HydrophobicContact CD2-CD1 3.86Å; L350-I357 HydrophobicContact CG-CD1 3.64Å; Q351-I357 HydrophobicContact CB-CB 4.15Å; Q351-I357 HydrophobicContact CB-CG2 3.66Å; Q351-I357 HydrophobicContact CG-CB 4.15Å; Q351-I357 HydrophobicContact CG-CG2 3.69Å; H354-I357 HydrophobicContact CB-CD1 4.13Å; H354-I357 HydrophobicContact CB-CG1 4.37Å; H354-I357 PolarHBondContact O-N 2.78Å; H354-I357 VanDerWaalsContact O-N 3.08Å; E355-I357 PolarHBondContact O-N 2.92Å; E355-I357 VanDerWaalsContact O-N 3.14Å; I357-V360 HydrophobicContact CG2-CG2 3.94Å; I357-L369 HydrophobicContact CB-CD1 4.33Å; I357-L369 HydrophobicContact CD1-CD1 4.06Å; I357-L369 HydrophobicContact CG1-CD1 4.05Å; I357-L369 HydrophobicContact CG2-CD1 3.35Å; I357-L369 HydrophobicContact CG2-CG 4.4Å; I357-L371 HydrophobicContact CB-CD2 4.5Å; I357-L371 HydrophobicContact CG1-CD2 3.78Å; I357-R375 VanDerWaalsContact O-CZ 3.24Å; I357-R375 PolarHBondContact O-NE 3.44Å; I357-R375 PolarHBondContact O-NH2 2.72Å; I357-L434 HydrophobicContact CD1-CD1 4.03Å; I357-L434 HydrophobicContact CG1-CD1 4.28Å
358G98.2Very high98.1Very high9 Ų943 Ų439%0.09320%0.201CC..EExtended strand (participates in β ladder)trans-84.7-43.8-178.900000113.2Y174 Q351 I356 E370 V372Y174-G358 WeakPolarHBondContact OH-CA 3.47Å; Q351-G358 PolarHBondContact NE2-O 3.09Å; I356-G358 PolarHBondContact O-N 2.94Å; G358-E370 PolarHBondContact N-O 2.82Å; G358-V372 VanDerWaalsContact CA-CG2 3.48Å
359D98.5Very high98.1Very high34 Ų3438.9 Ų38.918%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-146.3147.4-176.9-175.338000112.4Y174 R361 E370Y174-D359 HydrophobicContact CD1-CB 3.92Å; Y174-D359 HydrophobicContact CD2-CB 3.91Å; Y174-D359 HydrophobicContact CE1-CB 3.94Å; Y174-D359 HydrophobicContact CE2-CB 3.91Å; Y174-D359 HydrophobicContact CG-CB 3.94Å; D359-R361 WeakPolarHBondContact OD2-CD 3.45Å; D359-R361 IonicContact OD2-CZ 3.59Å; D359-R361 IonicContact OD2-NE 3.18Å; D359-R361 IonicContact OD2-NH1 2.92Å; D359-R361 PolarHBondContact OD2-NH1 2.92Å; D359-E370 HydrophobicContact CB-CB 4.23Å; D359-E370 PolarHBondContact N-O 3.18Å; D359-E370 PolarHBondContact O-N 2.82Å
360V98.7Very high98.1Very high9 Ų932.8 Ų32.86%0.05516%0.157CC..EExtended strand (participates in β ladder)trans-128.7108.2173.4-178.20000107.9K344 L347 K348 Q351 I357 L369K344-V360 HydrophobicContact CG-CG1 3.86Å; L347-V360 HydrophobicContact CB-CG1 3.69Å; L347-V360 HydrophobicContact CB-CG2 4.18Å; L347-V360 HydrophobicContact CD1-CG1 4.43Å; K348-V360 HydrophobicContact CG-CB 4.03Å; K348-V360 HydrophobicContact CG-CG1 4.04Å; K348-V360 HydrophobicContact CG-CG2 4.43Å; Q351-V360 HydrophobicContact CB-CG2 4.07Å; I357-V360 HydrophobicContact CG2-CG2 3.94Å; V360-L369 HydrophobicContact CG2-CD1 3.74Å
361R98.2Very high98.1Very high22 Ų2232.7 Ų32.78%0.08316%0.156CC..EExtended strand (participates in β ladder)trans-130.3160.9-174.660.4-178.5168.8-90.55.4111.7G220 Q221 D359 V367 G368 E370G220-R361 VanDerWaalsContact O-CZ 3.24Å; G220-R361 PolarHBondContact O-NE 3.42Å; G220-R361 PolarHBondContact O-NH2 3.13Å; Q221-R361 WeakPolarHBondContact O-CD 3.47Å; D359-R361 WeakPolarHBondContact OD2-CD 3.45Å; D359-R361 IonicContact OD2-CZ 3.59Å; D359-R361 IonicContact OD2-NE 3.18Å; D359-R361 IonicContact OD2-NH1 2.92Å; D359-R361 PolarHBondContact OD2-NH1 2.92Å; R361-V367 WeakPolarHBondContact O-CA 3.45Å; R361-V367 WeakPolarHBondContact O-CG1 3.28Å; R361-G368 PolarHBondContact N-O 2.89Å; R361-G368 PolarHBondContact O-N 3.49Å; R361-E370 IonicContact CZ-OE2 2.76Å; R361-E370 IonicContact NH1-OE2 2.76Å; R361-E370 PolarHBondContact NH1-OE2 3.2Å; R361-E370 IonicContact NH2-OE2 3.67Å; R361-E370 PolarHBondContact NH2-OE2 3.17Å
362G97.4Very high98.1Very high5 Ų530.7 Ų30.75%0.05215%0.147CC..EExtended strand (participates in β ladder)trans135.1170.3-178.900000114.2K344 F366K344-G362 PolarHBondContact NZ-O 3.16Å; G362-F366 CarbonylContact C-O 3.5Å; G362-F366 WeakPolarHBondContact CA-O 3.49Å
363V98.1Very high98Very high40 Ų4026.7 Ų26.724%0.24213%0.13CC..EExtended strand (participates in β ladder)trans-149.9141.4178.562.70000109.2L215 I223 T255 L264 F366L215-V363 HydrophobicContact CD1-CG1 3.88Å; I223-V363 HydrophobicContact CD1-CB 4.45Å; I223-V363 HydrophobicContact CD1-CG1 3.9Å; T255-V363 HydrophobicContact CG2-CG1 3.96Å; L264-V363 HydrophobicContact CD1-CG1 3.88Å; V363-F366 PolarHBondContact N-O 3.03Å; V363-F366 PolarHBondContact O-N 2.65Å
364G98.4Very high97.8Very high8 Ų822.8 Ų22.88%0.08212%0.121CC..THydrogen-bonded Turntrans55.8-139.9-172.200000111.6A336 G340 F366A336-G364 WeakPolarHBondContact O-CA 3.36Å; G340-G364 WeakPolarHBondContact CA-O 3.14Å; G364-F366 VanDerWaalsContact C-N 3.25Å; G364-F366 PolarHBondContact O-N 2.97Å
365L98.5Very high97.7Very high1 Ų127.4 Ų27.41%0.00514%0.138CC..THydrogen-bonded Turntrans-9444.7176.2-69170.3000111.8R254 A336 V339 P414 M416 F418R254-L365 WeakPolarHBondContact CD-O 3.29Å; R254-L365 VanDerWaalsContact NH1-CB 3.27Å; R254-L365 PolarHBondContact NH1-O 3.05Å; R254-L365 PolarHBondContact O-N 2.75Å; R254-L365 VanDerWaalsContact O-N 3.07Å; A336-L365 HydrophobicContact CB-CB 4.49Å; A336-L365 HydrophobicContact CB-CD1 4.03Å; A336-L365 HydrophobicContact CB-CG 4.01Å; V339-L365 HydrophobicContact CB-CD2 4.37Å; V339-L365 HydrophobicContact CG1-CD2 4.09Å; L365-P414 HydrophobicContact CB-CG 4.44Å; L365-P414 HydrophobicContact CD2-CG 4.13Å; L365-M416 HydrophobicContact CB-SD 4.32Å; L365-M416 HydrophobicContact CD1-SD 4.03Å; L365-F418 HydrophobicContact CD1-CB 4.44Å
366F98.4Very high97.6Very high0 Ų029.9 Ų29.90%014%0.14CC..EExtended strand (participates in β ladder)trans-133.995171.5-175.6-86.6000107.5L215 Q221 T250 R254 G362 V363 G364L215-F366 HydrophobicContact CB-CD1 4.37Å; L215-F366 HydrophobicContact CB-CE1 3.73Å; L215-F366 HydrophobicContact CB-CZ 3.94Å; L215-F366 HydrophobicContact CD1-CD1 4.14Å; L215-F366 HydrophobicContact CD1-CE1 4.34Å; L215-F366 WeakPolarHBondContact O-CZ 3.48Å; Q221-F366 VanDerWaalsContact CA-CE1 3.49Å; Q221-F366 HydrophobicContact CB-CD1 4.22Å; Q221-F366 HydrophobicContact CB-CE1 3.73Å; Q221-F366 HydrophobicContact CB-CZ 4.31Å; Q221-F366 HydrophobicContact CG-CE1 4.38Å; Q221-F366 VanDerWaalsContact OE1-CE2 3.3Å; T250-F366 HydrophobicContact CG2-CD2 3.97Å; T250-F366 HydrophobicContact CG2-CE2 3.72Å; T250-F366 HydrophobicContact CG2-CZ 4.14Å; R254-F366 HydrophobicContact CG-CB 4Å; G362-F366 CarbonylContact C-O 3.5Å; G362-F366 WeakPolarHBondContact CA-O 3.49Å; V363-F366 PolarHBondContact N-O 3.03Å; V363-F366 PolarHBondContact O-N 2.65Å; G364-F366 VanDerWaalsContact C-N 3.25Å; G364-F366 PolarHBondContact O-N 2.97Å
367V98.5Very high97.5Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-132.5138.1-168.7-178.90000110.5L343 L347 R361 F412L343-V367 HydrophobicContact CD2-CB 4.38Å; L343-V367 HydrophobicContact CD2-CG2 4.28Å; L347-V367 HydrophobicContact CD1-CG1 3.67Å; R361-V367 WeakPolarHBondContact O-CA 3.45Å; R361-V367 WeakPolarHBondContact O-CG1 3.28Å; V367-F412 HydrophobicContact CB-CB 4.22Å; V367-F412 HydrophobicContact CB-CD2 4.46Å; V367-F412 HydrophobicContact CG1-CD2 4.42Å; V367-F412 PolarHBondContact N-O 2.97Å; V367-F412 PolarHBondContact O-N 3.15Å
368G98.4Very high97.4Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-118.7133.7174.200000111.2R361 L410R361-G368 PolarHBondContact N-O 2.89Å; R361-G368 PolarHBondContact O-N 3.49Å; G368-L410 WeakPolarHBondContact CA-O 3.37Å
369L98.8Very high97.3Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-113.4106.6170.3176.672.8000108.1L347 I357 V360 L371 V409 L410 F412 I430L347-L369 HydrophobicContact CB-CD1 4.49Å; L347-L369 HydrophobicContact CD2-CD1 4.18Å; L347-L369 HydrophobicContact CD2-CD2 3.99Å; L347-L369 HydrophobicContact CD2-CG 4.48Å; I357-L369 HydrophobicContact CB-CD1 4.33Å; I357-L369 HydrophobicContact CD1-CD1 4.06Å; I357-L369 HydrophobicContact CG1-CD1 4.05Å; I357-L369 HydrophobicContact CG2-CD1 3.35Å; I357-L369 HydrophobicContact CG2-CG 4.4Å; V360-L369 HydrophobicContact CG2-CD1 3.74Å; L369-L371 HydrophobicContact CD2-CD2 4.27Å; L369-L371 HydrophobicContact CG-CD2 4.17Å; L369-V409 CarbonylContact O-C 3.41Å; L369-V409 WeakPolarHBondContact O-CA 3.27Å; L369-L410 HydrophobicContact CB-CB 4.21Å; L369-L410 HydrophobicContact CD2-CD2 4.34Å; L369-L410 PolarHBondContact N-O 3.49Å; L369-L410 PolarHBondContact O-N 2.88Å; L369-F412 HydrophobicContact CB-CE2 4.03Å; L369-I430 HydrophobicContact CD2-CD1 4.48Å; L369-I430 HydrophobicContact CD2-CG2 4.35Å
370E98.5Very high97.2Very high2 Ų235.5 Ų35.51%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-93.4125.2-177-178160.7-177.100112.2Y174 R175 G358 D359 R361 V372 V409Y174-E370 WeakPolarHBondContact CD1-OE2 3.43Å; Y174-E370 HydrophobicContact CE1-CG 4.33Å; Y174-E370 WeakPolarHBondContact CE1-OE2 3.28Å; R175-E370 IonicContact CZ-OE1 3.64Å; R175-E370 IonicContact NE-OE1 3.09Å; R175-E370 PolarHBondContact NE-OE1 2.98Å; R175-E370 IonicContact NE-OE2 3.29Å; R175-E370 IonicContact NH2-OE1 3.26Å; R175-E370 PolarHBondContact NH2-OE1 2.82Å; G358-E370 PolarHBondContact N-O 2.82Å; D359-E370 HydrophobicContact CB-CB 4.23Å; D359-E370 PolarHBondContact N-O 3.18Å; D359-E370 PolarHBondContact O-N 2.82Å; R361-E370 IonicContact CZ-OE2 2.76Å; R361-E370 IonicContact NH1-OE2 2.76Å; R361-E370 PolarHBondContact NH1-OE2 3.2Å; R361-E370 IonicContact NH2-OE2 3.67Å; R361-E370 PolarHBondContact NH2-OE2 3.17Å; E370-V372 HydrophobicContact CG-CG1 4.24Å; E370-V409 HydrophobicContact CB-CG2 4.12Å; E370-V409 HydrophobicContact CG-CG2 4.01Å
371L98.6Very high97.1Very high2 Ų235 Ų351%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-97.8132.1177.2-52.6-171.5000111.4I356 I357 L369 A381 T384 A385 V388 S408 L410I356-L371 HydrophobicContact CG1-CB 4.44Å; I356-L371 HydrophobicContact CG2-CD2 4.5Å; I356-L371 CarbonylContact O-C 3.48Å; I356-L371 VanDerWaalsContact O-CA 3.24Å; I356-L371 WeakPolarHBondContact O-CA 3.43Å; I357-L371 HydrophobicContact CB-CD2 4.5Å; I357-L371 HydrophobicContact CG1-CD2 3.78Å; L369-L371 HydrophobicContact CD2-CD2 4.27Å; L369-L371 HydrophobicContact CG-CD2 4.17Å; L371-A381 HydrophobicContact CB-CB 3.95Å; L371-A381 PolarHBondContact O-N 3.4Å; L371-T384 HydrophobicContact CD1-CG2 4.32Å; L371-A385 HydrophobicContact CD1-CB 4.08Å; L371-V388 HydrophobicContact CD1-CG2 4.42Å; L371-S408 PolarHBondContact N-O 2.97Å; L371-L410 HydrophobicContact CD1-CD1 3.67Å; L371-L410 HydrophobicContact CG-CD1 3.89Å
372V98Very high97.1Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-137.1145.1179.5-58.10000110.6R175 I356 G358 E370 D374 R375 K378 T379R175-V372 VanDerWaalsContact NH2-CG1 3.26Å; I356-V372 CarbonylContact C-O 3.6Å; I356-V372 VanDerWaalsContact CA-O 3.25Å; I356-V372 WeakPolarHBondContact CA-O 3.31Å; I356-V372 WeakPolarHBondContact CG1-O 3.28Å; I356-V372 PolarHBondContact O-N 2.75Å; I356-V372 VanDerWaalsContact O-O 3.05Å; G358-V372 VanDerWaalsContact CA-CG2 3.48Å; E370-V372 HydrophobicContact CG-CG1 4.24Å; V372-D374 VanDerWaalsContact C-N 3.33Å; V372-R375 HydrophobicContact CG2-CG 4.18Å; V372-K378 HydrophobicContact CG1-CB 4.49Å; V372-T379 CarbonylContact C-O 3.52Å; V372-T379 WeakPolarHBondContact CA-O 3.48Å; V372-T379 VanDerWaalsContact CB-O 3.32Å; V372-T379 WeakPolarHBondContact CB-O 3.47Å
373I95.6Very high97Very high82 Ų8240.2 Ų40.242%0.42120%0.197SC..EExtended strand (participates in β ladder)trans-70.3-36.2177.1-55.5172.5000110.6T379 A381 E445I373-T379 HydrophobicContact CD1-CG2 3.85Å; I373-T379 PolarHBondContact N-O 2.97Å; I373-A381 HydrophobicContact CG1-CB 4.03Å; I373-E445 HydrophobicContact CD1-CB 3.35Å; I373-E445 HydrophobicContact CD1-CG 3.62Å; I373-E445 HydrophobicContact CG1-CB 4.1Å; I373-E445 HydrophobicContact CG1-CG 3.85Å
374D94.1Very high97Very high66 Ų6638.6 Ų38.635%0.35319%0.187SC..EExtended strand (participates in β ladder)trans-141.5129.6-179.8174.6-80.2000109V372 R376 T377 K378V372-D374 VanDerWaalsContact C-N 3.33Å; D374-R376 VanDerWaalsContact C-N 3.3Å; D374-R376 PolarHBondContact O-N 3.44Å; D374-R376 VanDerWaalsContact OD1-CA 3.32Å; D374-R376 WeakPolarHBondContact OD1-CA 3.24Å; D374-R376 VanDerWaalsContact OD1-CB 3.26Å; D374-R376 WeakPolarHBondContact OD1-CB 3.18Å; D374-R376 PolarHBondContact OD1-N 2.7Å; D374-T377 WeakPolarHBondContact CB-OG1 3.31Å; D374-T377 PolarHBondContact OD1-N 3.36Å; D374-T377 PolarHBondContact OD1-OG1 3.25Å; D374-K378 WeakPolarHBondContact O-CA 3.47Å; D374-K378 PolarHBondContact O-N 2.97Å
375R95.3Very high96.9Very high100 Ų10038.2 Ų38.238%0.37718%0.183SC..THydrogen-bonded Turntrans-71.1-22.9-175.9-68.2-175.7175.6178.4-3.2113.9Q351 H354 E355 I357 V372 K378Q351-R375 PolarHBondContact O-NH2 3.45Å; H354-R375 PolarHBondContact O-NH2 3.31Å; E355-R375 PolarHBondContact O-NE 3.09Å; E355-R375 PolarHBondContact O-NH2 3.49Å; I357-R375 VanDerWaalsContact O-CZ 3.24Å; I357-R375 PolarHBondContact O-NE 3.44Å; I357-R375 PolarHBondContact O-NH2 2.72Å; V372-R375 HydrophobicContact CG2-CG 4.18Å; R375-K378 WeakPolarHBondContact O-CG 3.4Å
376R93.6Very high96.9Very high210 Ų21040.9 Ų40.979%0.79221%0.205SC*.THydrogen-bonded Turntrans-83.3-50.5-178-178.2-174.166.2119.31.4110.8D374 K378D374-R376 VanDerWaalsContact C-N 3.3Å; D374-R376 PolarHBondContact O-N 3.44Å; D374-R376 VanDerWaalsContact OD1-CA 3.32Å; D374-R376 WeakPolarHBondContact OD1-CA 3.24Å; D374-R376 VanDerWaalsContact OD1-CB 3.26Å; D374-R376 WeakPolarHBondContact OD1-CB 3.18Å; D374-R376 PolarHBondContact OD1-N 2.7Å; R376-K378 VanDerWaalsContact C-N 3.27Å
377T94.8Very high96.8Very high75 Ų7543.1 Ų43.146%0.4622%0.217SC..THydrogen-bonded Turntrans-76.3-21.9175.768.80000111.6D374 T379D374-T377 WeakPolarHBondContact CB-OG1 3.31Å; D374-T377 PolarHBondContact OD1-N 3.36Å; D374-T377 PolarHBondContact OD1-OG1 3.25Å; T377-T379 PolarHBondContact O-N 3.15Å; T377-T379 PolarHBondContact OG1-N 2.94Å; T377-T379 PolarHBondContact OG1-OG1 3Å
378K96Very high96.8Very high31 Ų3143.1 Ų43.114%0.13522%0.217CC..THydrogen-bonded Turntrans5930.5-175-52.2175.6178174.50110.9Y174 R175 V372 D374 R375 R376 P380Y174-K378 HydrophobicContact CD2-CD 4.29Å; Y174-K378 HydrophobicContact CE1-CD 4.14Å; Y174-K378 HydrophobicContact CE1-CG 4.46Å; Y174-K378 HydrophobicContact CE2-CD 3.79Å; Y174-K378 HydrophobicContact CE2-CG 4.28Å; Y174-K378 PolarHBondContact O-NZ 2.95Å; R175-K378 HydrophobicContact CG-CD 4.34Å; R175-K378 VanDerWaalsContact NH1-CB 3.3Å; R175-K378 PolarHBondContact NH1-O 2.92Å; R175-K378 PolarHBondContact NH2-O 3.24Å; V372-K378 HydrophobicContact CG1-CB 4.49Å; D374-K378 WeakPolarHBondContact O-CA 3.47Å; D374-K378 PolarHBondContact O-N 2.97Å; R375-K378 WeakPolarHBondContact O-CG 3.4Å; R376-K378 VanDerWaalsContact C-N 3.27Å; K378-P380 WeakPolarHBondContact O-CD 3.1Å
379T96.4Very high96.8Very high65 Ų6543.9 Ų43.940%0.39922%0.222SC..EExtended strand (participates in β ladder)trans-60123.2179.6-560000109.5V372 I373 T377V372-T379 CarbonylContact C-O 3.52Å; V372-T379 WeakPolarHBondContact CA-O 3.48Å; V372-T379 VanDerWaalsContact CB-O 3.32Å; V372-T379 WeakPolarHBondContact CB-O 3.47Å; I373-T379 HydrophobicContact CD1-CG2 3.85Å; I373-T379 PolarHBondContact N-O 2.97Å; T377-T379 PolarHBondContact O-N 3.15Å; T377-T379 PolarHBondContact OG1-N 2.94Å; T377-T379 PolarHBondContact OG1-OG1 3Å
380P97.1Very high96.7Very high27 Ų2747.7 Ų47.718%0.17524%0.239CC..EExtended strand (participates in β ladder)trans-60.4139-176.2-22.732.9000112.9K378 T382 W406K378-P380 WeakPolarHBondContact O-CD 3.1Å; P380-T382 PolarHBondContact O-N 2.9Å; P380-W406 HydrophobicContact CB-CB 3.66Å; P380-W406 HydrophobicContact CB-CD2 4.41Å; P380-W406 HydrophobicContact CB-CG 3.98Å; P380-W406 HydrophobicContact CG-CB 3.74Å; P380-W406 HydrophobicContact CG-CD2 3.57Å; P380-W406 HydrophobicContact CG-CE3 3.98Å; P380-W406 HydrophobicContact CG-CG 3.45Å; P380-W406 VanDerWaalsContact CG-CG 3.45Å
381A97.1Very high96.7Very high0 Ų048.8 Ų48.80%024%0.243CC..  trans-99.964.9174.200000111I356 L371 I373 T384 A385 E445I356-A381 HydrophobicContact CD1-CB 4.07Å; I356-A381 HydrophobicContact CG1-CB 4.04Å; L371-A381 HydrophobicContact CB-CB 3.95Å; L371-A381 PolarHBondContact O-N 3.4Å; I373-A381 HydrophobicContact CG1-CB 4.03Å; A381-T384 PolarHBondContact O-N 2.94Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.37Å; A381-E445 WeakPolarHBondContact CA-OE1 3.17Å
382T96.9Very high96.7Very high49 Ų4948.7 Ų48.730%0.30124%0.242SC..Hα-helixtrans-65-46.4-171-59.60000113P380 T384 A385 A386 W406 E407 E445P380-T382 PolarHBondContact O-N 2.9Å; T382-T384 VanDerWaalsContact C-N 3.29Å; T382-T384 PolarHBondContact O-N 3.41Å; T382-A385 PolarHBondContact O-N 3.09Å; T382-A386 PolarHBondContact O-N 3.2Å; T382-W406 WeakPolarHBondContact CB-O 3.4Å; T382-W406 WeakPolarHBondContact CG2-O 3.32Å; T382-W406 PolarHBondContact OG1-O 3.48Å; T382-E407 HydrophobicContact CG2-CB 4.4Å; T382-E445 PolarHBondContact N-OE1 3.21Å
383K96.4Very high96.7Very high87 Ų8749 Ų4938%0.37824%0.243SC..Hα-helixtrans-67.3-36.6-179.7-63.6175.3176.7-173.70111A386 L387 L444 E445 E447K383-A386 PolarHBondContact O-N 3.32Å; K383-L387 WeakPolarHBondContact O-CB 3.49Å; K383-L387 PolarHBondContact O-N 3.16Å; K383-L444 HydrophobicContact CB-CB 4.26Å; K383-L444 WeakPolarHBondContact CD-O 3.5Å; K383-L444 PolarHBondContact NZ-O 3.44Å; K383-E445 WeakPolarHBondContact CA-OE1 3.3Å; K383-E445 WeakPolarHBondContact CB-OE1 3.27Å; K383-E445 PolarHBondContact N-OE1 3.36Å; K383-E445 PolarHBondContact N-OE2 2.98Å; K383-E447 PolarHBondContact NZ-O 3.33Å
384T96.7Very high96.8Very high5 Ų549.1 Ų49.13%0.03124%0.242CC..Hα-helixtrans-63.9-46.9175-530000110.9I356 L371 A381 T382 A386 L387 V388 M437 E445I356-T384 HydrophobicContact CD1-CG2 3.28Å; L371-T384 HydrophobicContact CD1-CG2 4.32Å; A381-T384 PolarHBondContact O-N 2.94Å; T382-T384 VanDerWaalsContact C-N 3.29Å; T382-T384 PolarHBondContact O-N 3.41Å; T384-A386 VanDerWaalsContact C-N 3.31Å; T384-A386 PolarHBondContact O-N 2.95Å; T384-L387 PolarHBondContact O-N 3.35Å; T384-L387 VanDerWaalsContact O-N 3.15Å; T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 WeakPolarHBondContact O-CG2 3.48Å; T384-V388 PolarHBondContact O-N 2.92Å; T384-M437 HydrophobicContact CG2-CE 3.47Å; T384-M437 VanDerWaalsContact CG2-CE 3.47Å; T384-M437 HydrophobicContact CG2-SD 4.4Å; T384-E445 PolarHBondContact N-OE1 2.83Å; T384-E445 PolarHBondContact OG1-OE1 2.89Å
385A98.1Very high97Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-58.9-43.1176.400000112.1L371 A381 T382 V388 V389 T402 L410L371-A385 HydrophobicContact CD1-CB 4.08Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.37Å; T382-A385 PolarHBondContact O-N 3.09Å; A385-V388 PolarHBondContact O-N 2.87Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.15Å; A385-T402 HydrophobicContact CB-CG2 3.94Å; A385-L410 HydrophobicContact CB-CD1 3.85Å
386A97.2Very high97.1Very high57 Ų5746.9 Ų46.947%0.47124%0.235SC..Hα-helixtrans-61.9-41.8175.100000112.3T382 K383 T384 V389 K390T382-A386 PolarHBondContact O-N 3.2Å; K383-A386 PolarHBondContact O-N 3.32Å; T384-A386 VanDerWaalsContact C-N 3.31Å; T384-A386 PolarHBondContact O-N 2.95Å; A386-V389 PolarHBondContact O-N 3.12Å; A386-K390 WeakPolarHBondContact O-CB 3.38Å; A386-K390 PolarHBondContact O-N 3.5Å
387L97Very high97.4Very high47 Ų4739.1 Ų39.125%0.24621%0.208CC..Hα-helixtrans-66.5-41.8177.3-176.461.6000112.1K383 T384 V389 K390 R391 M437 L444K383-L387 WeakPolarHBondContact O-CB 3.49Å; K383-L387 PolarHBondContact O-N 3.16Å; T384-L387 PolarHBondContact O-N 3.35Å; T384-L387 VanDerWaalsContact O-N 3.15Å; L387-V389 VanDerWaalsContact C-N 3.33Å; L387-V389 PolarHBondContact O-N 3.32Å; L387-K390 PolarHBondContact O-N 3.46Å; L387-R391 HydrophobicContact CD1-CG 4.1Å; L387-R391 HydrophobicContact CG-CG 4.35Å; L387-R391 WeakPolarHBondContact O-CG 3.33Å; L387-R391 PolarHBondContact O-N 3.47Å; L387-M437 HydrophobicContact CD2-CE 3.81Å; L387-M437 HydrophobicContact CD2-SD 3.98Å; L387-M437 HydrophobicContact CG-SD 4.49Å; L387-L444 HydrophobicContact CB-CD1 4.36Å; L387-L444 HydrophobicContact CD2-CD1 3.47Å; L387-L444 VanDerWaalsContact CD2-CD1 3.47Å
388V98.3Very high97.6Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-60-46.3175.4176.60000110.2L371 T384 A385 K390 R391 L392 L410 I430 I433 L434 M437L371-V388 HydrophobicContact CD1-CG2 4.42Å; T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 WeakPolarHBondContact O-CG2 3.48Å; T384-V388 PolarHBondContact O-N 2.92Å; A385-V388 PolarHBondContact O-N 2.87Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.49Å; V388-R391 PolarHBondContact O-N 3.32Å; V388-L392 HydrophobicContact CG1-CD1 3.93Å; V388-L392 HydrophobicContact CG1-CG 4.28Å; V388-L392 WeakPolarHBondContact O-CB 3.46Å; V388-L392 VanDerWaalsContact O-CG 3.28Å; V388-L392 WeakPolarHBondContact O-CG 3.41Å; V388-L392 PolarHBondContact O-N 3.05Å; V388-L410 HydrophobicContact CB-CD2 4.35Å; V388-L410 HydrophobicContact CG1-CD2 3.67Å; V388-I430 HydrophobicContact CG1-CG1 4.43Å; V388-I433 HydrophobicContact CB-CG2 4.49Å; V388-I433 HydrophobicContact CG1-CG2 4.5Å; V388-I433 HydrophobicContact CG2-CG2 3.99Å; V388-L434 HydrophobicContact CG2-CD2 3.85Å; V388-M437 HydrophobicContact CG2-SD 4.37Å
389V98.2Very high97.7Very high17 Ų1734.6 Ų34.610%0.10318%0.182CC..Hα-helixtrans-58.9-43.7175.6164.50000112Y27 A385 A386 L387 K393 V400 T402 L410Y27-V389 HydrophobicContact CE1-CG1 3.72Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.15Å; A386-V389 PolarHBondContact O-N 3.12Å; L387-V389 VanDerWaalsContact C-N 3.33Å; L387-V389 PolarHBondContact O-N 3.32Å; V389-K393 PolarHBondContact O-N 2.87Å; V389-V400 VanDerWaalsContact CG1-O 3.27Å; V389-V400 WeakPolarHBondContact CG1-O 3.28Å; V389-V400 HydrophobicContact CG2-CB 4.5Å; V389-V400 HydrophobicContact CG2-CG1 4.24Å; V389-T402 HydrophobicContact CG2-CG2 4.03Å; V389-L410 HydrophobicContact CG2-CG 4.49Å
390K97.8Very high97.7Very high80 Ų8031.5 Ų31.535%0.34816%0.163SC..Hα-helixtrans-61.3-50.1177.8-179.1173.3-177.9163.40111.5E29 A386 L387 V388 K393 E394E29-K390 IonicContact OE2-NZ 2.8Å; E29-K390 PolarHBondContact OE2-NZ 3.32Å; A386-K390 WeakPolarHBondContact O-CB 3.38Å; A386-K390 PolarHBondContact O-N 3.5Å; L387-K390 PolarHBondContact O-N 3.46Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.49Å; K390-K393 PolarHBondContact O-N 3.43Å; K390-E394 WeakPolarHBondContact CE-OE1 3.42Å; K390-E394 WeakPolarHBondContact CE-OE2 3.22Å; K390-E394 HydrophobicContact CG-CG 4.43Å; K390-E394 WeakPolarHBondContact O-CG 3.42Å; K390-E394 PolarHBondContact O-N 2.87Å
391R98.1Very high97.7Very high25 Ų2531 Ų319%0.09416%0.16CC..Hα-helixtrans-65.8-40.4-178.5-69.4-177.368.6176.77.3112.3L387 V388 K393 E394 E395 I433 D436L387-R391 HydrophobicContact CD1-CG 4.1Å; L387-R391 HydrophobicContact CG-CG 4.35Å; L387-R391 WeakPolarHBondContact O-CG 3.33Å; L387-R391 PolarHBondContact O-N 3.47Å; V388-R391 PolarHBondContact O-N 3.32Å; R391-K393 VanDerWaalsContact C-N 3.29Å; R391-K393 PolarHBondContact O-N 3.2Å; R391-E394 PolarHBondContact O-N 3.27Å; R391-E395 IonicContact CZ-OE1 3.83Å; R391-E395 IonicContact CZ-OE2 3.87Å; R391-E395 IonicContact NE-OE1 2.79Å; R391-E395 PolarHBondContact NE-OE1 2.78Å; R391-E395 IonicContact NE-OE2 2.65Å; R391-E395 IonicContact NH2-OE1 3.45Å; R391-E395 PolarHBondContact NH2-OE1 3.17Å; R391-E395 IonicContact NH2-OE2 2.7Å; R391-E395 PolarHBondContact NH2-OE2 3.15Å; R391-E395 VanDerWaalsContact NH2-OE2 3.16Å; R391-E395 WeakPolarHBondContact O-CA 3.31Å; R391-E395 VanDerWaalsContact O-CB 3.28Å; R391-E395 WeakPolarHBondContact O-CB 3.49Å; R391-E395 PolarHBondContact O-N 3.5Å; R391-I433 HydrophobicContact CB-CD1 3.7Å; R391-I433 HydrophobicContact CB-CG1 4.09Å; R391-I433 HydrophobicContact CB-CG2 4.42Å; R391-D436 IonicContact CZ-OD2 3.89Å; R391-D436 VanDerWaalsContact CZ-OD2 3.25Å; R391-D436 IonicContact NH1-OD2 3.28Å; R391-D436 PolarHBondContact NH1-OD2 3.27Å; R391-D436 IonicContact NH2-OD2 2.7Å; R391-D436 PolarHBondContact NH2-OD2 2.96Å
392L98.6Very high97.7Very high0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-56.9-41.9173.3-76.5172.7000112V388 D396 Q397 I398 V400 C429 I430 I433V388-L392 HydrophobicContact CG1-CD1 3.93Å; V388-L392 HydrophobicContact CG1-CG 4.28Å; V388-L392 WeakPolarHBondContact O-CB 3.46Å; V388-L392 VanDerWaalsContact O-CG 3.28Å; V388-L392 WeakPolarHBondContact O-CG 3.41Å; V388-L392 PolarHBondContact O-N 3.05Å; L392-D396 CarbonylContact O-C 3.56Å; L392-D396 WeakPolarHBondContact O-CA 3.29Å; L392-D396 WeakPolarHBondContact O-CB 3.45Å; L392-D396 PolarHBondContact O-N 2.84Å; L392-Q397 PolarHBondContact O-N 3.26Å; L392-I398 CarbonylContact C-O 3Å; L392-I398 HydrophobicContact CB-CB 4.36Å; L392-I398 HydrophobicContact CD2-CB 4.49Å; L392-I398 HydrophobicContact CD2-CD1 4.29Å; L392-I398 PolarHBondContact O-N 3.45Å; L392-V400 HydrophobicContact CD1-CB 4.03Å; L392-V400 HydrophobicContact CD1-CG2 3.85Å; L392-C429 HydrophobicContact CD2-CB 3.66Å; L392-I430 HydrophobicContact CD1-CG1 4.02Å; L392-I430 HydrophobicContact CD2-CG1 4.16Å; L392-I433 HydrophobicContact CD2-CD1 3.85Å; L392-I433 HydrophobicContact CG-CD1 3.85Å
393K98Very high97.6Very high5 Ų531 Ų312%0.02216%0.159CC..Hα-helixtrans-66.3-53.9174.2164.9179.1167.9-86.90111.7Y27 D30 V32 V389 K390 R391 Q397 I398 F399Y27-K393 HydrophobicContact CD1-CB 4.27Å; Y27-K393 HydrophobicContact CD1-CD 3.3Å; Y27-K393 HydrophobicContact CD1-CG 4.37Å; Y27-K393 HydrophobicContact CD2-CD 3.68Å; Y27-K393 HydrophobicContact CE1-CB 3.89Å; Y27-K393 HydrophobicContact CE1-CD 3.73Å; Y27-K393 HydrophobicContact CE1-CG 4.38Å; Y27-K393 HydrophobicContact CE2-CD 4.07Å; Y27-K393 HydrophobicContact CG-CD 3.28Å; D30-K393 WeakPolarHBondContact O-CE 3.36Å; D30-K393 PolarHBondContact O-NZ 3.43Å; D30-K393 IonicContact OD2-NZ 3.36Å; D30-K393 PolarHBondContact OD2-NZ 2.77Å; V32-K393 HydrophobicContact CG2-CD 4.28Å; V32-K393 VanDerWaalsContact CG2-CE 3.43Å; V389-K393 PolarHBondContact O-N 2.87Å; K390-K393 PolarHBondContact O-N 3.43Å; R391-K393 VanDerWaalsContact C-N 3.29Å; R391-K393 PolarHBondContact O-N 3.2Å; K393-Q397 WeakPolarHBondContact O-CA 3.35Å; K393-Q397 PolarHBondContact O-N 2.88Å; K393-I398 PolarHBondContact N-O 2.83Å; K393-F399 HydrophobicContact CG-CE1 4.41Å
394E97.4Very high97.5Very high85 Ų8527.2 Ų27.240%0.39715%0.145SC..Hα-helixtrans-75.1-45.8-166-71.1176178.600112.1K390 R391 Q397K390-E394 WeakPolarHBondContact CE-OE1 3.42Å; K390-E394 WeakPolarHBondContact CE-OE2 3.22Å; K390-E394 HydrophobicContact CG-CG 4.43Å; K390-E394 WeakPolarHBondContact O-CG 3.42Å; K390-E394 PolarHBondContact O-N 2.87Å; R391-E394 PolarHBondContact O-N 3.27Å; E394-Q397 PolarHBondContact O-NE2 3.36Å
395E97.9Very high97.3Very high85 Ų8529.4 Ų29.440%0.39716%0.159SC..THydrogen-bonded Turntrans-85.6-45.1-176.7-57.8177.2-161.800111.2R391 Q397 R432R391-E395 IonicContact CZ-OE1 3.83Å; R391-E395 IonicContact CZ-OE2 3.87Å; R391-E395 IonicContact NE-OE1 2.79Å; R391-E395 PolarHBondContact NE-OE1 2.78Å; R391-E395 IonicContact NE-OE2 2.65Å; R391-E395 IonicContact NH2-OE1 3.45Å; R391-E395 PolarHBondContact NH2-OE1 3.17Å; R391-E395 IonicContact NH2-OE2 2.7Å; R391-E395 PolarHBondContact NH2-OE2 3.15Å; R391-E395 VanDerWaalsContact NH2-OE2 3.16Å; R391-E395 WeakPolarHBondContact O-CA 3.31Å; R391-E395 VanDerWaalsContact O-CB 3.28Å; R391-E395 WeakPolarHBondContact O-CB 3.49Å; R391-E395 PolarHBondContact O-N 3.5Å; E395-Q397 VanDerWaalsContact C-NE2 3.26Å; E395-Q397 PolarHBondContact O-NE2 3.23Å; E395-R432 IonicContact OE2-CZ 3.6Å; E395-R432 IonicContact OE2-NH1 3.82Å; E395-R432 PolarHBondContact OE2-NH1 3Å; E395-R432 IonicContact OE2-NH2 2.94Å; E395-R432 PolarHBondContact OE2-NH2 3.14Å
396D98.4Very high97.2Very high35 Ų3534.8 Ų34.819%0.18718%0.179CC..THydrogen-bonded Turntrans-108.3-9.6-167.7-50.9-72.6000114.8L392 I398 C429 R432L392-D396 CarbonylContact O-C 3.56Å; L392-D396 WeakPolarHBondContact O-CA 3.29Å; L392-D396 WeakPolarHBondContact O-CB 3.45Å; L392-D396 PolarHBondContact O-N 2.84Å; D396-I398 HydrophobicContact CB-CD1 4.01Å; D396-I398 HydrophobicContact CB-CG1 3.99Å; D396-C429 HydrophobicContact CB-CB 4.24Å; D396-C429 PolarHBondContact OD1-SG 3.37Å; D396-R432 IonicContact OD1-CZ 2.8Å; D396-R432 IonicContact OD1-NE 3.13Å; D396-R432 IonicContact OD1-NH2 3.63Å; D396-R432 PolarHBondContact OD1-NH2 3.08Å; D396-R432 IonicContact OD2-NH2 2.93Å; D396-R432 PolarHBondContact OD2-NH2 3.07Å
397Q98.4Very high97.1Very high46 Ų4637 Ų3722%0.21518%0.18CC..  trans58.744.1-175.6-61.87779.900113.2K48 R49 Y50 L51 L392 K393 E394 E395K48-Q397 HydrophobicContact CD-CG 3.64Å; K48-Q397 HydrophobicContact CG-CG 3.96Å; R49-Q397 VanDerWaalsContact O-CB 3.28Å; R49-Q397 WeakPolarHBondContact O-CB 3.34Å; Y50-Q397 CarbonylContact C-O 3.6Å; Y50-Q397 WeakPolarHBondContact CA-O 3.36Å; Y50-Q397 HydrophobicContact CD1-CB 3.63Å; Y50-Q397 HydrophobicContact CD1-CG 4.11Å; Y50-Q397 HydrophobicContact CE1-CB 3.9Å; Y50-Q397 HydrophobicContact CE1-CG 3.85Å; Y50-Q397 HydrophobicContact CG-CB 4.12Å; L51-Q397 PolarHBondContact N-O 3.13Å; L392-Q397 PolarHBondContact O-N 3.26Å; K393-Q397 WeakPolarHBondContact O-CA 3.35Å; K393-Q397 PolarHBondContact O-N 2.88Å; E394-Q397 PolarHBondContact O-NE2 3.36Å; E395-Q397 VanDerWaalsContact C-NE2 3.26Å; E395-Q397 PolarHBondContact O-NE2 3.23Å
398I98.8Very high97.2Very high1 Ų134.7 Ų34.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-115.7123.5177-53.5178.8000109L51 C53 L392 K393 D396 V400 L425 V426 C429L51-I398 HydrophobicContact CB-CG1 4.32Å; L51-I398 HydrophobicContact CB-CG2 4.34Å; L51-I398 HydrophobicContact CD2-CG2 4.31Å; L51-I398 HydrophobicContact CG-CG2 4.46Å; C53-I398 VanDerWaalsContact SG-CG2 3.58Å; L392-I398 CarbonylContact C-O 3Å; L392-I398 HydrophobicContact CB-CB 4.36Å; L392-I398 HydrophobicContact CD2-CB 4.49Å; L392-I398 HydrophobicContact CD2-CD1 4.29Å; L392-I398 PolarHBondContact O-N 3.45Å; K393-I398 PolarHBondContact N-O 2.83Å; D396-I398 HydrophobicContact CB-CD1 4.01Å; D396-I398 HydrophobicContact CB-CG1 3.99Å; I398-V400 HydrophobicContact CG2-CG2 4.04Å; I398-V400 PolarHBondContact O-N 3.01Å; I398-L425 HydrophobicContact CD1-CG 4.16Å; I398-V426 HydrophobicContact CD1-CB 4.17Å; I398-V426 HydrophobicContact CD1-CG2 4.22Å; I398-V426 HydrophobicContact CG2-CB 4.47Å; I398-V426 HydrophobicContact CG2-CG2 3.88Å; I398-C429 HydrophobicContact CD1-CB 4.21Å
399F98.5Very high97.2Very high10 Ų1034.9 Ų34.94%0.04417%0.169CC..EExtended strand (participates in β ladder)trans-85.7100.8175.2-66.6-36.9000111.2Y27 V32 I34 M42 Y50 L51 C53 I54 K393Y27-F399 HydrophobicContact CD2-CD1 4.4Å; Y27-F399 HydrophobicContact CD2-CE1 4.34Å; Y27-F399 AromaticContact CE2-CD1 3.41Å; Y27-F399 HydrophobicContact CE2-CD1 3.41Å; Y27-F399 VanDerWaalsContact CE2-CD1 3.41Å; Y27-F399 AromaticContact CE2-CE1 3.75Å; Y27-F399 HydrophobicContact CE2-CE1 3.75Å; Y27-F399 HydrophobicContact CE2-CG 4.26Å; Y27-F399 AromaticContact CZ-CD1 3.72Å; Y27-F399 VanDerWaalsContact OH-CA 3.32Å; Y27-F399 WeakPolarHBondContact OH-CA 3.34Å; V32-F399 HydrophobicContact CB-CE1 4.45Å; V32-F399 HydrophobicContact CB-CZ 4Å; V32-F399 HydrophobicContact CG1-CZ 4.19Å; V32-F399 HydrophobicContact CG2-CE1 3.83Å; V32-F399 HydrophobicContact CG2-CZ 3.86Å; I34-F399 HydrophobicContact CD1-CE2 3.98Å; I34-F399 HydrophobicContact CD1-CZ 4.08Å; M42-F399 HydrophobicContact CB-CE2 4.39Å; M42-F399 HydrophobicContact SD-CD2 4.19Å; M42-F399 HydrophobicContact SD-CE2 4Å; Y50-F399 VanDerWaalsContact CB-CE2 3.44Å; Y50-F399 HydrophobicContact CD1-CD1 4.09Å; Y50-F399 AromaticContact CD1-CE1 3.42Å; Y50-F399 HydrophobicContact CD1-CE1 3.42Å; Y50-F399 VanDerWaalsContact CD1-CE1 3.42Å; Y50-F399 AromaticContact CD1-CE2 3.97Å; Y50-F399 HydrophobicContact CD1-CE2 3.97Å; Y50-F399 AromaticContact CD1-CZ 3.34Å; Y50-F399 HydrophobicContact CD1-CZ 3.34Å; Y50-F399 HydrophobicContact CD2-CE2 4.42Å; Y50-F399 HydrophobicContact CD2-CZ 4.09Å; Y50-F399 AromaticContact CE1-CE1 3.83Å; Y50-F399 HydrophobicContact CE1-CE1 3.83Å; Y50-F399 AromaticContact CE1-CZ 3.89Å; Y50-F399 HydrophobicContact CE1-CZ 3.89Å; Y50-F399 HydrophobicContact CG-CD2 4.45Å; Y50-F399 HydrophobicContact CG-CE1 4.03Å; Y50-F399 AromaticContact CG-CE2 3.71Å; Y50-F399 HydrophobicContact CG-CE2 3.71Å; Y50-F399 AromaticContact CG-CZ 3.46Å; Y50-F399 HydrophobicContact CG-CZ 3.46Å; Y50-F399 VanDerWaalsContact CG-CZ 3.46Å; L51-F399 PolarHBondContact O-N 3.42Å; C53-F399 WeakPolarHBondContact CA-O 3.48Å; C53-F399 WeakPolarHBondContact CB-O 3.39Å; C53-F399 PolarHBondContact N-O 3.45Å; I54-F399 HydrophobicContact CD1-CB 3.89Å; I54-F399 HydrophobicContact CG1-CB 4.08Å; K393-F399 HydrophobicContact CG-CE1 4.41Å
400V97.6Very high97.2Very high0 Ų034 Ų340%016%0.164CC..  trans-115.9156.9166.4179.30000108.9Y27 C53 V389 L392 I398 L410 F412 V426Y27-V400 PolarHBondContact OH-N 3.38Å; Y27-V400 PolarHBondContact OH-O 2.99Å; C53-V400 HydrophobicContact CB-CG2 3.83Å; V389-V400 VanDerWaalsContact CG1-O 3.27Å; V389-V400 WeakPolarHBondContact CG1-O 3.28Å; V389-V400 HydrophobicContact CG2-CB 4.5Å; V389-V400 HydrophobicContact CG2-CG1 4.24Å; L392-V400 HydrophobicContact CD1-CB 4.03Å; L392-V400 HydrophobicContact CD1-CG2 3.85Å; I398-V400 HydrophobicContact CG2-CG2 4.04Å; I398-V400 PolarHBondContact O-N 3.01Å; V400-L410 HydrophobicContact CG1-CB 4.13Å; V400-L410 HydrophobicContact CG1-CD2 4.36Å; V400-L410 HydrophobicContact CG1-CG 4.23Å; V400-F412 HydrophobicContact CG1-CE1 4.4Å; V400-F412 HydrophobicContact CG2-CD1 4.49Å; V400-F412 HydrophobicContact CG2-CE1 3.91Å; V400-V426 HydrophobicContact CG2-CG2 4.32Å
401S96.1Very high97.2Very high18 Ų1831.4 Ų31.413%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-141.6170.51731660000109.2K411S401-K411 WeakPolarHBondContact O-CG 3.48Å; S401-K411 PolarHBondContact O-N 3.44Å; S401-K411 WeakPolarHBondContact OG-CE 3.5Å; S401-K411 PolarHBondContact OG-NZ 3.49Å; S401-K411 VanDerWaalsContact OG-NZ 3.16Å
402T97.1Very high97.2Very high28 Ų2830.2 Ų30.217%0.17215%0.148CC..EExtended strand (participates in β ladder)trans-103.1153.5177.852.40000112.2A385 V389 E407 V409 L410 K411A385-T402 HydrophobicContact CB-CG2 3.94Å; V389-T402 HydrophobicContact CG2-CG2 4.03Å; T402-E407 WeakPolarHBondContact CB-O 3.48Å; T402-E407 VanDerWaalsContact CG2-O 3.26Å; T402-E407 WeakPolarHBondContact CG2-O 3.15Å; T402-E407 PolarHBondContact OG1-O 3.11Å; T402-V409 CarbonylContact C-O 3.55Å; T402-V409 WeakPolarHBondContact CA-O 3.32Å; T402-L410 HydrophobicContact CG2-CD1 4.42Å; T402-K411 PolarHBondContact O-NZ 2.95Å
403D95.4Very high97.1Very high20 Ų2030.6 Ų30.611%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-131.5-175.2168.4-89.9-7.9000108.3S217 Q221 V409 K411 K413S217-D403 VanDerWaalsContact O-OD2 3.09Å; S217-D403 PolarHBondContact OG-OD2 2.97Å; Q221-D403 PolarHBondContact NE2-OD2 2.74Å; D403-V409 PolarHBondContact N-O 3.11Å; D403-V409 WeakPolarHBondContact O-CB 3.31Å; D403-V409 PolarHBondContact O-N 2.91Å; D403-K411 HydrophobicContact CB-CB 4.48Å; D403-K411 HydrophobicContact CB-CD 3.9Å; D403-K411 WeakPolarHBondContact OD1-CD 3.45Å; D403-K411 IonicContact OD1-NZ 3.39Å; D403-K411 PolarHBondContact OD1-NZ 3.37Å; D403-K411 VanDerWaalsContact OD2-CD 3.25Å; D403-K411 WeakPolarHBondContact OD2-CD 3.39Å; D403-K411 IonicContact OD2-NZ 2.67Å; D403-K413 IonicContact OD2-NZ 3.48Å; D403-K413 PolarHBondContact OD2-NZ 3.35Å
404G94.5Very high97.1Very high7 Ų730.4 Ų30.47%0.07215%0.149CC..SBendtrans92.8162.4178.900000112.8V218 W406 E407V218-G404 VanDerWaalsContact O-CA 3.29Å; V218-G404 WeakPolarHBondContact O-CA 3.39Å; V218-G404 PolarHBondContact O-N 3Å; G404-W406 PolarHBondContact O-N 2.97Å; G404-W406 VanDerWaalsContact O-N 3.1Å; G404-E407 PolarHBondContact O-N 2.91Å
405P92.6Very high97.1Very high51 Ų5126.3 Ų26.333%0.33113%0.13SC..THydrogen-bonded Turntrans-58.8-26.3-176.7-25.335.6000114.5H138H138-P405 VanDerWaalsContact CE1-CG 3.42Å; H138-P405 WeakPolarHBondContact CE1-CG 3.34Å; H138-P405 WeakPolarHBondContact NE2-CG 3.37Å
406W95.1Very high97.1Very high114 Ų11422.3 Ų22.343%0.43211%0.111SC..THydrogen-bonded Turntrans-113.19.1-176.9-50.9-78.1000113.5P380 T382 G404 S408P380-W406 HydrophobicContact CB-CB 3.66Å; P380-W406 HydrophobicContact CB-CD2 4.41Å; P380-W406 HydrophobicContact CB-CG 3.98Å; P380-W406 HydrophobicContact CG-CB 3.74Å; P380-W406 HydrophobicContact CG-CD2 3.57Å; P380-W406 HydrophobicContact CG-CE3 3.98Å; P380-W406 HydrophobicContact CG-CG 3.45Å; P380-W406 VanDerWaalsContact CG-CG 3.45Å; T382-W406 WeakPolarHBondContact CB-O 3.4Å; T382-W406 WeakPolarHBondContact CG2-O 3.32Å; T382-W406 PolarHBondContact OG1-O 3.48Å; G404-W406 PolarHBondContact O-N 2.97Å; G404-W406 VanDerWaalsContact O-N 3.1Å; W406-S408 PolarHBondContact O-N 3.33Å; W406-S408 VanDerWaalsContact O-N 3.08Å
407E96.2Very high97.1Very high102 Ų10222.1 Ų22.148%0.47711%0.112SC..SBendtrans55.828.6179.9-55-176.2165.900113.6T382 T402 G404T382-E407 HydrophobicContact CG2-CB 4.4Å; T402-E407 WeakPolarHBondContact CB-O 3.48Å; T402-E407 VanDerWaalsContact CG2-O 3.26Å; T402-E407 WeakPolarHBondContact CG2-O 3.15Å; T402-E407 PolarHBondContact OG1-O 3.11Å; G404-E407 PolarHBondContact O-N 2.91Å
408S97.8Very high97.1Very high0 Ų020 Ų200%010%0.102CC..  trans-1055.1-176.665.90000114L371 W406L371-S408 PolarHBondContact N-O 2.97Å; W406-S408 PolarHBondContact O-N 3.33Å; W406-S408 VanDerWaalsContact O-N 3.08Å
409V98.6Very high97.1Very high3 Ų321.2 Ų21.22%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-106.7108.3-179.5-172.40000109.1L369 E370 T402 D403 K411L369-V409 CarbonylContact O-C 3.41Å; L369-V409 WeakPolarHBondContact O-CA 3.27Å; E370-V409 HydrophobicContact CB-CG2 4.12Å; E370-V409 HydrophobicContact CG-CG2 4.01Å; T402-V409 CarbonylContact C-O 3.55Å; T402-V409 WeakPolarHBondContact CA-O 3.32Å; D403-V409 PolarHBondContact N-O 3.11Å; D403-V409 WeakPolarHBondContact O-CB 3.31Å; D403-V409 PolarHBondContact O-N 2.91Å; V409-K411 PolarHBondContact O-N 2.7Å
410L98.6Very high97.2Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-66126.8170-77.769.6000108.1G368 L369 L371 A385 V388 V389 V400 T402 F412 I430G368-L410 WeakPolarHBondContact CA-O 3.37Å; L369-L410 HydrophobicContact CB-CB 4.21Å; L369-L410 HydrophobicContact CD2-CD2 4.34Å; L369-L410 PolarHBondContact N-O 3.49Å; L369-L410 PolarHBondContact O-N 2.88Å; L371-L410 HydrophobicContact CD1-CD1 3.67Å; L371-L410 HydrophobicContact CG-CD1 3.89Å; A385-L410 HydrophobicContact CB-CD1 3.85Å; V388-L410 HydrophobicContact CB-CD2 4.35Å; V388-L410 HydrophobicContact CG1-CD2 3.67Å; V389-L410 HydrophobicContact CG2-CG 4.49Å; V400-L410 HydrophobicContact CG1-CB 4.13Å; V400-L410 HydrophobicContact CG1-CD2 4.36Å; V400-L410 HydrophobicContact CG1-CG 4.23Å; T402-L410 HydrophobicContact CG2-CD1 4.42Å; L410-F412 HydrophobicContact CB-CE2 4.19Å; L410-F412 HydrophobicContact CB-CZ 4.36Å; L410-I430 HydrophobicContact CD2-CD1 4.44Å
411K96.8Very high97.2Very high24 Ų2429.7 Ų29.710%0.10415%0.152CC..EExtended strand (participates in β ladder)trans-107.6133.2-175.278-153.8-177.7-166.30111.5Q221 S401 T402 D403 V409Q221-K411 HydrophobicContact CG-CB 4.2Å; S401-K411 WeakPolarHBondContact O-CG 3.48Å; S401-K411 PolarHBondContact O-N 3.44Å; S401-K411 WeakPolarHBondContact OG-CE 3.5Å; S401-K411 PolarHBondContact OG-NZ 3.49Å; S401-K411 VanDerWaalsContact OG-NZ 3.16Å; T402-K411 PolarHBondContact O-NZ 2.95Å; D403-K411 HydrophobicContact CB-CB 4.48Å; D403-K411 HydrophobicContact CB-CD 3.9Å; D403-K411 WeakPolarHBondContact OD1-CD 3.45Å; D403-K411 IonicContact OD1-NZ 3.39Å; D403-K411 PolarHBondContact OD1-NZ 3.37Å; D403-K411 VanDerWaalsContact OD2-CD 3.25Å; D403-K411 WeakPolarHBondContact OD2-CD 3.39Å; D403-K411 IonicContact OD2-NZ 2.67Å; V409-K411 PolarHBondContact O-N 2.7Å
412F98Very high97.4Very high1 Ų129 Ų290%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-118.4110.9174.1-54.8-86.1000108.7C53 L343 L347 V367 L369 V400 L410 V426 I430C53-F412 HydrophobicContact CB-CD1 4.11Å; L343-F412 HydrophobicContact CD2-CB 4.02Å; L343-F412 HydrophobicContact CD2-CG 4.26Å; L347-F412 HydrophobicContact CD1-CD2 4.29Å; L347-F412 HydrophobicContact CD1-CE2 4.1Å; V367-F412 HydrophobicContact CB-CB 4.22Å; V367-F412 HydrophobicContact CB-CD2 4.46Å; V367-F412 HydrophobicContact CG1-CD2 4.42Å; V367-F412 PolarHBondContact N-O 2.97Å; V367-F412 PolarHBondContact O-N 3.15Å; L369-F412 HydrophobicContact CB-CE2 4.03Å; V400-F412 HydrophobicContact CG1-CE1 4.4Å; V400-F412 HydrophobicContact CG2-CD1 4.49Å; V400-F412 HydrophobicContact CG2-CE1 3.91Å; L410-F412 HydrophobicContact CB-CE2 4.19Å; L410-F412 HydrophobicContact CB-CZ 4.36Å; F412-V426 HydrophobicContact CE1-CG1 4.38Å; F412-V426 HydrophobicContact CE1-CG2 3.85Å; F412-I430 HydrophobicContact CE1-CD1 4.3Å; F412-I430 HydrophobicContact CZ-CD1 3.72Å
413K96.5Very high97.4Very high7 Ų727.7 Ų27.73%0.0314%0.138CC..  trans-142.456175.346.6170.772.982.10109.5C53 I54 S55 N56 S217 D403C53-K413 CarbonylContact O-C 3.56Å; C53-K413 PolarHBondContact O-N 3.35Å; I54-K413 CarbonylContact C-O 3.55Å; I54-K413 WeakPolarHBondContact O-CG 3.02Å; S55-K413 CarbonylContact C-O 3.43Å; N56-K413 HydrophobicContact CB-CB 4.27Å; N56-K413 PolarHBondContact N-O 3.37Å; N56-K413 VanDerWaalsContact N-O 3.1Å; S217-K413 VanDerWaalsContact OG-CE 3.26Å; S217-K413 WeakPolarHBondContact OG-CE 3.46Å; S217-K413 PolarHBondContact OG-NZ 3.05Å; S217-K413 VanDerWaalsContact OG-NZ 3.11Å; D403-K413 IonicContact OD2-NZ 3.48Å; D403-K413 PolarHBondContact OD2-NZ 3.35Å
414P98.2Very high97.6Very high1 Ų131.7 Ų31.71%0.00616%0.156CC..  trans-66.4170.5-174.929.7-36.9000112.3D52 R254 L365 F418D52-P414 WeakPolarHBondContact O-CB 3.31Å; R254-P414 VanDerWaalsContact CZ-O 3.27Å; R254-P414 PolarHBondContact NH1-O 3Å; R254-P414 PolarHBondContact NH2-O 2.97Å; L365-P414 HydrophobicContact CB-CG 4.44Å; L365-P414 HydrophobicContact CD2-CG 4.13Å; P414-F418 HydrophobicContact CB-CB 3.85Å; P414-F418 HydrophobicContact CB-CD2 3.28Å; P414-F418 HydrophobicContact CB-CE2 3.83Å; P414-F418 HydrophobicContact CB-CG 3.68Å; P414-F418 HydrophobicContact CG-CB 3.73Å; P414-F418 HydrophobicContact CG-CD1 4.05Å; P414-F418 HydrophobicContact CG-CD2 3.7Å; P414-F418 HydrophobicContact CG-CE2 4.23Å; P414-F418 HydrophobicContact CG-CG 3.58Å
415P98.6Very high97.8Very high0 Ų035.4 Ų35.40%017%0.174CC..  trans-48.1146.6159.5-31.241.2000112.2Q40 D52 Q58 C417 F418Q40-P415 HydrophobicContact CB-CB 4.41Å; Q40-P415 HydrophobicContact CB-CG 4.39Å; D52-P415 WeakPolarHBondContact O-CD 3.49Å; Q58-P415 VanDerWaalsContact O-CB 3.28Å; Q58-P415 WeakPolarHBondContact O-CB 3.32Å; Q58-P415 WeakPolarHBondContact O-CG 3.42Å; P415-C417 PolarHBondContact O-N 3.18Å; P415-C417 VanDerWaalsContact O-N 3.14Å; P415-F418 VanDerWaalsContact O-CB 3.29Å; P415-F418 WeakPolarHBondContact O-CB 3.38Å; P415-F418 PolarHBondContact O-N 2.98Å; P415-F418 VanDerWaalsContact O-N 3.07Å
416M98.5Very high98.1Very high0 Ų033 Ų330%016%0.158CC..THydrogen-bonded Turntrans-70.5-9.9-175-64.5-74.1-76.600113.7H59 G253 L332 N335 A336 L365 F418H59-M416 WeakPolarHBondContact CE1-CG 3.4Å; H59-M416 WeakPolarHBondContact NE2-CG 3.47Å; H59-M416 WeakPolarHBondContact O-CB 3.33Å; H59-M416 VanDerWaalsContact O-CG 3.31Å; H59-M416 WeakPolarHBondContact O-CG 3.29Å; H59-M416 PolarHBondContact O-N 3.32Å; G253-M416 WeakPolarHBondContact O-CE 3.16Å; L332-M416 HydrophobicContact CB-CB 4.02Å; L332-M416 HydrophobicContact CB-CE 4.47Å; L332-M416 HydrophobicContact CD1-CB 4.04Å; L332-M416 HydrophobicContact CD2-CB 4.39Å; L332-M416 HydrophobicContact CG-CB 4.39Å; L332-M416 WeakPolarHBondContact O-CE 3.42Å; N335-M416 PolarHBondContact ND2-O 3.26Å; A336-M416 HydrophobicContact CB-CE 3.48Å; A336-M416 VanDerWaalsContact CB-CE 3.48Å; A336-M416 HydrophobicContact CB-SD 4.18Å; L365-M416 HydrophobicContact CB-SD 4.32Å; L365-M416 HydrophobicContact CD1-SD 4.03Å; M416-F418 VanDerWaalsContact C-N 3.28Å
417C98.3Very high98.3Very high32 Ų3228.1 Ų28.122%0.21614%0.141CC..THydrogen-bonded Turntrans-84.96171.568.20000113.6P415 S419P415-C417 PolarHBondContact O-N 3.18Å; P415-C417 VanDerWaalsContact O-N 3.14Å; C417-S419 PolarHBondContact O-N 3.38Å
418F98.6Very high98.4Very high1 Ų125.1 Ų25.10%0.00414%0.138CC..  trans-55.1134.3173.8-160.6-100.3000110.6Q40 L51 N335 V339 L365 P414 P415 M416 D422 A423 V426Q40-F418 HydrophobicContact CB-CD2 4.43Å; L51-F418 HydrophobicContact CD1-CD2 4.17Å; L51-F418 HydrophobicContact CD1-CE2 3.73Å; L51-F418 HydrophobicContact CD2-CE2 3.94Å; L51-F418 HydrophobicContact CD2-CZ 4.16Å; L51-F418 HydrophobicContact CG-CE2 3.98Å; N335-F418 PolarHBondContact ND2-O 2.88Å; V339-F418 HydrophobicContact CG1-CD1 3.97Å; L365-F418 HydrophobicContact CD1-CB 4.44Å; P414-F418 HydrophobicContact CB-CB 3.85Å; P414-F418 HydrophobicContact CB-CD2 3.28Å; P414-F418 HydrophobicContact CB-CE2 3.83Å; P414-F418 HydrophobicContact CB-CG 3.68Å; P414-F418 HydrophobicContact CG-CB 3.73Å; P414-F418 HydrophobicContact CG-CD1 4.05Å; P414-F418 HydrophobicContact CG-CD2 3.7Å; P414-F418 HydrophobicContact CG-CE2 4.23Å; P414-F418 HydrophobicContact CG-CG 3.58Å; P415-F418 VanDerWaalsContact O-CB 3.29Å; P415-F418 WeakPolarHBondContact O-CB 3.38Å; P415-F418 PolarHBondContact O-N 2.98Å; P415-F418 VanDerWaalsContact O-N 3.07Å; M416-F418 VanDerWaalsContact C-N 3.28Å; F418-D422 HydrophobicContact CD1-CB 3.87Å; F418-D422 HydrophobicContact CD2-CB 3.86Å; F418-D422 HydrophobicContact CE1-CB 3.59Å; F418-D422 HydrophobicContact CE2-CB 3.59Å; F418-D422 HydrophobicContact CG-CB 4.01Å; F418-D422 HydrophobicContact CZ-CB 3.44Å; F418-D422 VanDerWaalsContact CZ-CB 3.44Å; F418-A423 HydrophobicContact CE1-CB 3.99Å; F418-V426 HydrophobicContact CZ-CG1 4.36Å
419S98.8Very high98.5Very high27 Ų2725.7 Ų25.719%0.18914%0.141CC..  trans-101.1173.5-171.787.30000113.4V339 C417 E421 D422 A423V339-S419 WeakPolarHBondContact CG1-O 3.24Å; C417-S419 PolarHBondContact O-N 3.38Å; S419-E421 VanDerWaalsContact C-N 3.31Å; S419-E421 WeakPolarHBondContact CB-OE2 3.46Å; S419-E421 PolarHBondContact OG-N 3.33Å; S419-E421 PolarHBondContact OG-OE2 2.7Å; S419-D422 PolarHBondContact N-OD2 3.34Å; S419-D422 PolarHBondContact O-N 3.24Å; S419-D422 PolarHBondContact OG-N 2.87Å; S419-D422 PolarHBondContact OG-OD2 3.45Å; S419-A423 PolarHBondContact O-N 3.31Å
420M98.8Very high98.5Very high61 Ų6125.6 Ų25.630%0.314%0.141SC..Hα-helixtrans-62.6-42.5171.9-65.9-64.3-169.700110.8R338 V339 H342 D422 A423 E424R338-M420 VanDerWaalsContact C-CE 3.48Å; R338-M420 HydrophobicContact CB-CE 3.76Å; R338-M420 WeakPolarHBondContact O-CE 3.46Å; V339-M420 HydrophobicContact CB-SD 4.29Å; V339-M420 HydrophobicContact CG2-CE 4.09Å; V339-M420 HydrophobicContact CG2-CG 4.19Å; V339-M420 HydrophobicContact CG2-SD 3.9Å; H342-M420 HydrophobicContact CB-CE 3.98Å; H342-M420 HydrophobicContact CB-SD 3.35Å; H342-M420 WeakPolarHBondContact CB-SD 3.4Å; H342-M420 PolarHBondContact CD2-SD 3.39Å; M420-D422 VanDerWaalsContact C-N 3.32Å; M420-D422 PolarHBondContact O-N 3.19Å; M420-A423 WeakPolarHBondContact O-CA 3.45Å; M420-A423 WeakPolarHBondContact O-CB 3.48Å; M420-A423 PolarHBondContact O-N 3.46Å; M420-A423 VanDerWaalsContact O-N 3.09Å; M420-E424 WeakPolarHBondContact O-CG 3.19Å; M420-E424 PolarHBondContact O-N 3.08Å
421E98.8Very high98.5Very high127 Ų12727 Ų2759%0.59315%0.148SC*.Hα-helixtrans-64.1-37.1179-57.675.4-167.400111.5S419 A423 E424 L425S419-E421 VanDerWaalsContact C-N 3.31Å; S419-E421 WeakPolarHBondContact CB-OE2 3.46Å; S419-E421 PolarHBondContact OG-N 3.33Å; S419-E421 PolarHBondContact OG-OE2 2.7Å; E421-A423 VanDerWaalsContact C-N 3.32Å; E421-E424 PolarHBondContact O-N 3.26Å; E421-L425 VanDerWaalsContact O-CB 3.23Å; E421-L425 WeakPolarHBondContact O-CB 3Å; E421-L425 PolarHBondContact O-N 3.39Å
422D98.8Very high98.6Very high3 Ų330.4 Ų30.42%0.01616%0.161CC..Hα-helixtrans-64.2-39173.5-64-44.6000111.4Q40 Y41 L51 F418 S419 M420 V426Q40-D422 WeakPolarHBondContact CG-OD2 3.5Å; Q40-D422 PolarHBondContact NE2-OD2 3.02Å; Y41-D422 PolarHBondContact OH-OD1 2.9Å; L51-D422 HydrophobicContact CD1-CB 4.08Å; L51-D422 WeakPolarHBondContact CD1-OD1 3.14Å; L51-D422 HydrophobicContact CD2-CB 3.96Å; F418-D422 HydrophobicContact CD1-CB 3.87Å; F418-D422 HydrophobicContact CD2-CB 3.86Å; F418-D422 HydrophobicContact CE1-CB 3.59Å; F418-D422 HydrophobicContact CE2-CB 3.59Å; F418-D422 HydrophobicContact CG-CB 4.01Å; F418-D422 HydrophobicContact CZ-CB 3.44Å; F418-D422 VanDerWaalsContact CZ-CB 3.44Å; S419-D422 PolarHBondContact N-OD2 3.34Å; S419-D422 PolarHBondContact O-N 3.24Å; S419-D422 PolarHBondContact OG-N 2.87Å; S419-D422 PolarHBondContact OG-OD2 3.45Å; M420-D422 VanDerWaalsContact C-N 3.32Å; M420-D422 PolarHBondContact O-N 3.19Å; D422-V426 WeakPolarHBondContact O-CG1 3.39Å; D422-V426 PolarHBondContact O-N 3.28Å
423A98.8Very high98.6Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-66.6-44.5176.300000111.8V339 L343 L346 F418 S419 M420 E421 V426 V427V339-A423 HydrophobicContact CG1-CB 4.43Å; L343-A423 HydrophobicContact CB-CB 4.06Å; L343-A423 HydrophobicContact CD1-CB 4.09Å; L346-A423 HydrophobicContact CD1-CB 4.33Å; F418-A423 HydrophobicContact CE1-CB 3.99Å; S419-A423 PolarHBondContact O-N 3.31Å; M420-A423 WeakPolarHBondContact O-CA 3.45Å; M420-A423 WeakPolarHBondContact O-CB 3.48Å; M420-A423 PolarHBondContact O-N 3.46Å; M420-A423 VanDerWaalsContact O-N 3.09Å; E421-A423 VanDerWaalsContact C-N 3.32Å; A423-V426 WeakPolarHBondContact O-CG1 3.45Å; A423-V427 WeakPolarHBondContact O-CB 3.5Å; A423-V427 VanDerWaalsContact O-CG2 3.29Å; A423-V427 WeakPolarHBondContact O-CG2 3.29Å; A423-V427 PolarHBondContact O-N 2.91Å; A423-V427 VanDerWaalsContact O-N 3.08Å
424E98.9Very high98.6Very high105 Ų10530.2 Ų30.249%0.49116%0.16SC..Hα-helixtrans-61.6-45174.9-70.7177170.400111.4H342 L346 M420 E421 G428H342-E424 IonicContact NE2-OE1 3.55Å; L346-E424 HydrophobicContact CD1-CG 4Å; M420-E424 WeakPolarHBondContact O-CG 3.19Å; M420-E424 PolarHBondContact O-N 3.08Å; E421-E424 PolarHBondContact O-N 3.26Å; E424-G428 PolarHBondContact O-N 3.37Å
425L98.9Very high98.6Very high85 Ų8533 Ų3345%0.44518%0.177SC..Hα-helixtrans-58.5-54.6177.8175.462.7000111.1L51 I398 E421 V427 G428 C429L51-L425 HydrophobicContact CD2-CD2 4.3Å; I398-L425 HydrophobicContact CD1-CG 4.16Å; E421-L425 VanDerWaalsContact O-CB 3.23Å; E421-L425 WeakPolarHBondContact O-CB 3Å; E421-L425 PolarHBondContact O-N 3.39Å; L425-V427 PolarHBondContact O-N 2.81Å; L425-G428 PolarHBondContact O-N 2.93Å; L425-C429 PolarHBondContact O-N 3.32Å; L425-C429 PolarHBondContact O-SG 3.41Å
426V98.8Very high98.5Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-64.8-41-17669.30000111.8L343 I398 V400 F412 F418 D422 A423 C429 I430L343-V426 HydrophobicContact CD1-CG1 4.26Å; I398-V426 HydrophobicContact CD1-CB 4.17Å; I398-V426 HydrophobicContact CD1-CG2 4.22Å; I398-V426 HydrophobicContact CG2-CB 4.47Å; I398-V426 HydrophobicContact CG2-CG2 3.88Å; V400-V426 HydrophobicContact CG2-CG2 4.32Å; F412-V426 HydrophobicContact CE1-CG1 4.38Å; F412-V426 HydrophobicContact CE1-CG2 3.85Å; F418-V426 HydrophobicContact CZ-CG1 4.36Å; D422-V426 WeakPolarHBondContact O-CG1 3.39Å; D422-V426 PolarHBondContact O-N 3.28Å; A423-V426 WeakPolarHBondContact O-CG1 3.45Å; V426-C429 PolarHBondContact O-N 3.07Å; V426-I430 HydrophobicContact CG2-CD1 4.14Å; V426-I430 VanDerWaalsContact O-CG1 3.27Å; V426-I430 WeakPolarHBondContact O-CG1 3.1Å; V426-I430 PolarHBondContact O-N 3.37Å
427V98.9Very high98.2Very high11 Ų1135.7 Ų35.77%0.06719%0.191CC..Hα-helixtrans-68.7-38.9178.8178.30000111.1L343 L346 L347 L350 A423 L425 C429 I430 D431L343-V427 HydrophobicContact CD1-CG2 3.73Å; L346-V427 HydrophobicContact CB-CB 4.16Å; L346-V427 HydrophobicContact CB-CG1 3.97Å; L346-V427 HydrophobicContact CB-CG2 3.88Å; L346-V427 HydrophobicContact CD1-CB 4.4Å; L346-V427 HydrophobicContact CD1-CG2 4.29Å; L347-V427 HydrophobicContact CD2-CG2 3.77Å; L347-V427 HydrophobicContact CG-CG2 4Å; L350-V427 HydrophobicContact CB-CG1 4.45Å; L350-V427 HydrophobicContact CD2-CG1 4.19Å; A423-V427 WeakPolarHBondContact O-CB 3.5Å; A423-V427 VanDerWaalsContact O-CG2 3.29Å; A423-V427 WeakPolarHBondContact O-CG2 3.29Å; A423-V427 PolarHBondContact O-N 2.91Å; A423-V427 VanDerWaalsContact O-N 3.08Å; L425-V427 PolarHBondContact O-N 2.81Å; V427-C429 VanDerWaalsContact C-N 3.35Å; V427-C429 PolarHBondContact O-N 3.12Å; V427-I430 PolarHBondContact O-N 3.34Å; V427-D431 WeakPolarHBondContact O-CB 3.27Å; V427-D431 PolarHBondContact O-N 3.25Å
428G98.8Very high97.9Very high39 Ų3938.4 Ų38.440%0.40220%0.2SC..Hα-helixtrans-61.8-40174.400000112.9E424 L425 D431 R432E424-G428 PolarHBondContact O-N 3.37Å; L425-G428 PolarHBondContact O-N 2.93Å; G428-D431 PolarHBondContact O-N 3.48Å; G428-R432 WeakPolarHBondContact O-CB 3.46Å; G428-R432 PolarHBondContact O-N 3.21Å
429C98.9Very high97.4Very high12 Ų1242.3 Ų42.38%0.08123%0.233CC..Hα-helixtrans-66.1-41.7174.2-68.40000112L392 D396 I398 L425 V426 V427 R432 I433L392-C429 HydrophobicContact CD2-CB 3.66Å; D396-C429 HydrophobicContact CB-CB 4.24Å; D396-C429 PolarHBondContact OD1-SG 3.37Å; I398-C429 HydrophobicContact CD1-CB 4.21Å; L425-C429 PolarHBondContact O-N 3.32Å; L425-C429 PolarHBondContact O-SG 3.41Å; V426-C429 PolarHBondContact O-N 3.07Å; V427-C429 VanDerWaalsContact C-N 3.35Å; V427-C429 PolarHBondContact O-N 3.12Å; C429-R432 PolarHBondContact O-N 3.05Å; C429-I433 WeakPolarHBondContact O-CD1 3.13Å; C429-I433 VanDerWaalsContact O-CG1 3.26Å; C429-I433 WeakPolarHBondContact O-CG1 3.49Å; C429-I433 PolarHBondContact O-N 3.27Å
430I98.8Very high96.7Very high1 Ų146.9 Ų46.91%0.00525%0.25CC..Hα-helixtrans-61.8-46.3175.2-64.7164.9000110.4L350 L369 V388 L392 L410 F412 V426 V427 R432 I433 L434L350-I430 HydrophobicContact CD2-CB 4.13Å; L350-I430 HydrophobicContact CD2-CG2 3.62Å; L369-I430 HydrophobicContact CD2-CD1 4.48Å; L369-I430 HydrophobicContact CD2-CG2 4.35Å; V388-I430 HydrophobicContact CG1-CG1 4.43Å; L392-I430 HydrophobicContact CD1-CG1 4.02Å; L392-I430 HydrophobicContact CD2-CG1 4.16Å; L410-I430 HydrophobicContact CD2-CD1 4.44Å; F412-I430 HydrophobicContact CE1-CD1 4.3Å; F412-I430 HydrophobicContact CZ-CD1 3.72Å; V426-I430 HydrophobicContact CG2-CD1 4.14Å; V426-I430 VanDerWaalsContact O-CG1 3.27Å; V426-I430 WeakPolarHBondContact O-CG1 3.1Å; V426-I430 PolarHBondContact O-N 3.37Å; V427-I430 PolarHBondContact O-N 3.34Å; I430-R432 PolarHBondContact O-N 3.1Å; I430-I433 PolarHBondContact O-N 2.67Å; I430-L434 HydrophobicContact CG2-CD1 3.83Å; I430-L434 HydrophobicContact CG2-CG 4.12Å; I430-L434 WeakPolarHBondContact O-CG 3.42Å; I430-L434 PolarHBondContact O-N 2.72Å
431D98.8Very high95.5Very high30 Ų3050.5 Ų50.516%0.1627%0.27CS..Hα-helixtrans-54.9-50176.6-175.423.5000112.1L350 R353 H354 V427 G428 I433 L434 T435L350-D431 HydrophobicContact CD1-CB 3.49Å; L350-D431 VanDerWaalsContact CD1-CB 3.49Å; L350-D431 WeakPolarHBondContact CD1-OD1 3.43Å; R353-D431 IonicContact CZ-OD1 3.17Å; R353-D431 VanDerWaalsContact CZ-OD1 3.23Å; R353-D431 IonicContact CZ-OD2 3.19Å; R353-D431 IonicContact NE-OD1 3.52Å; R353-D431 IonicContact NH1-OD1 2.72Å; R353-D431 IonicContact NH1-OD2 2.64Å; R353-D431 PolarHBondContact NH1-OD2 2.91Å; R353-D431 VanDerWaalsContact NH2-CG 3.26Å; R353-D431 IonicContact NH2-OD1 2.92Å; R353-D431 PolarHBondContact NH2-OD1 2.98Å; R353-D431 IonicContact NH2-OD2 3.39Å; R353-D431 PolarHBondContact NH2-OD2 3.47Å; H354-D431 IonicContact CE1-OD1 2.68Å; H354-D431 IonicContact NE2-OD1 3.02Å; H354-D431 PolarHBondContact NE2-OD1 3.26Å; V427-D431 WeakPolarHBondContact O-CB 3.27Å; V427-D431 PolarHBondContact O-N 3.25Å; G428-D431 PolarHBondContact O-N 3.48Å; D431-I433 VanDerWaalsContact C-N 3.34Å; D431-I433 PolarHBondContact O-N 3.06Å; D431-L434 PolarHBondContact O-N 3.28Å; D431-T435 VanDerWaalsContact O-CB 3.28Å; D431-T435 WeakPolarHBondContact O-CB 3.44Å; D431-T435 PolarHBondContact O-N 3.2Å; D431-T435 PolarHBondContact O-OG1 3.4Å; D431-T435 PolarHBondContact OD1-OG1 3.31Å
432R98.5Very high94.1Very high96 Ų9648.2 Ų48.236%0.36226%0.262SS..Hα-helixtrans-57.1-46.8175.9-178.7-173.164.774.7-2.7111.7E395 D396 G428 C429 I430 D436E395-R432 IonicContact OE2-CZ 3.6Å; E395-R432 IonicContact OE2-NH1 3.82Å; E395-R432 PolarHBondContact OE2-NH1 3Å; E395-R432 IonicContact OE2-NH2 2.94Å; E395-R432 PolarHBondContact OE2-NH2 3.14Å; D396-R432 IonicContact OD1-CZ 2.8Å; D396-R432 IonicContact OD1-NE 3.13Å; D396-R432 IonicContact OD1-NH2 3.63Å; D396-R432 PolarHBondContact OD1-NH2 3.08Å; D396-R432 IonicContact OD2-NH2 2.93Å; D396-R432 PolarHBondContact OD2-NH2 3.07Å; G428-R432 WeakPolarHBondContact O-CB 3.46Å; G428-R432 PolarHBondContact O-N 3.21Å; C429-R432 PolarHBondContact O-N 3.05Å; I430-R432 PolarHBondContact O-N 3.1Å; R432-D436 WeakPolarHBondContact O-CB 3.14Å; R432-D436 PolarHBondContact O-N 3.24Å
433I98.4Very high92.4Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-64.4-47.8-178.7-71.5163.1000110.8V388 R391 L392 C429 I430 D431 D436 M437V388-I433 HydrophobicContact CB-CG2 4.49Å; V388-I433 HydrophobicContact CG1-CG2 4.5Å; V388-I433 HydrophobicContact CG2-CG2 3.99Å; R391-I433 HydrophobicContact CB-CD1 3.7Å; R391-I433 HydrophobicContact CB-CG1 4.09Å; R391-I433 HydrophobicContact CB-CG2 4.42Å; L392-I433 HydrophobicContact CD2-CD1 3.85Å; L392-I433 HydrophobicContact CG-CD1 3.85Å; C429-I433 WeakPolarHBondContact O-CD1 3.13Å; C429-I433 VanDerWaalsContact O-CG1 3.26Å; C429-I433 WeakPolarHBondContact O-CG1 3.49Å; C429-I433 PolarHBondContact O-N 3.27Å; I430-I433 PolarHBondContact O-N 2.67Å; D431-I433 VanDerWaalsContact C-N 3.34Å; D431-I433 PolarHBondContact O-N 3.06Å; I433-D436 PolarHBondContact O-N 2.95Å; I433-M437 HydrophobicContact CG2-SD 3.92Å; I433-M437 VanDerWaalsContact O-CG 3.25Å; I433-M437 WeakPolarHBondContact O-CG 3.25Å; I433-M437 PolarHBondContact O-N 3.24Å
434L97.5Very high91.2Very high4 Ų457.7 Ų57.72%0.02131%0.305CS..Hα-helixtrans-65.3-43.4-179.2-66.6-178.9000111.5L350 H354 I356 I357 V388 I430 D431 D436 M437 E438L350-L434 HydrophobicContact CD2-CD1 4.35Å; H354-L434 HydrophobicContact CB-CD1 4.06Å; I356-L434 HydrophobicContact CG2-CD1 4.23Å; I356-L434 HydrophobicContact CG2-CD2 4.07Å; I357-L434 HydrophobicContact CD1-CD1 4.03Å; I357-L434 HydrophobicContact CG1-CD1 4.28Å; V388-L434 HydrophobicContact CG2-CD2 3.85Å; I430-L434 HydrophobicContact CG2-CD1 3.83Å; I430-L434 HydrophobicContact CG2-CG 4.12Å; I430-L434 WeakPolarHBondContact O-CG 3.42Å; I430-L434 PolarHBondContact O-N 2.72Å; D431-L434 PolarHBondContact O-N 3.28Å; L434-D436 VanDerWaalsContact C-N 3.35Å; L434-D436 PolarHBondContact O-N 3.18Å; L434-M437 WeakPolarHBondContact O-CB 3.33Å; L434-M437 PolarHBondContact O-N 3.27Å; L434-M437 VanDerWaalsContact O-N 3.15Å; L434-E438 WeakPolarHBondContact O-CG 3.36Å; L434-E438 PolarHBondContact O-N 2.49Å
435T97.4Very high89.9Confident60 Ų6054.7 Ų54.737%0.36829%0.291SS..Hα-helixtrans-59.6-43.9175.8-59.60000111.6H354 D431 M437 E438 A439H354-T435 PolarHBondContact CE1-OG1 2.89Å; H354-T435 VanDerWaalsContact CE1-OG1 3.32Å; D431-T435 VanDerWaalsContact O-CB 3.28Å; D431-T435 WeakPolarHBondContact O-CB 3.44Å; D431-T435 PolarHBondContact O-N 3.2Å; D431-T435 PolarHBondContact O-OG1 3.4Å; D431-T435 PolarHBondContact OD1-OG1 3.31Å; T435-M437 VanDerWaalsContact C-N 3.31Å; T435-M437 PolarHBondContact O-N 3.08Å; T435-E438 PolarHBondContact O-N 3.37Å; T435-A439 WeakPolarHBondContact O-CB 3.2Å; T435-A439 PolarHBondContact O-N 3.03Å
436D96.5Very high87.8Confident42 Ų4256.2 Ų56.223%0.22530%0.299CS..Hα-helixtrans-64.6-35.5176.8178.152.3000112.1R391 R432 I433 L434 K440R391-D436 IonicContact CZ-OD2 3.89Å; R391-D436 VanDerWaalsContact CZ-OD2 3.25Å; R391-D436 IonicContact NH1-OD2 3.28Å; R391-D436 PolarHBondContact NH1-OD2 3.27Å; R391-D436 IonicContact NH2-OD2 2.7Å; R391-D436 PolarHBondContact NH2-OD2 2.96Å; R432-D436 WeakPolarHBondContact O-CB 3.14Å; R432-D436 PolarHBondContact O-N 3.24Å; I433-D436 PolarHBondContact O-N 2.95Å; L434-D436 VanDerWaalsContact C-N 3.35Å; L434-D436 PolarHBondContact O-N 3.18Å; D436-K440 WeakPolarHBondContact O-CB 3.32Å; D436-K440 WeakPolarHBondContact O-CG 3.23Å; D436-K440 PolarHBondContact O-N 3.49Å; D436-K440 WeakPolarHBondContact OD1-CE 3.23Å; D436-K440 IonicContact OD1-NZ 3.86Å; D436-K440 PolarHBondContact OD1-NZ 2.93Å; D436-K440 IonicContact OD2-NZ 2.77Å; D436-K440 PolarHBondContact OD2-NZ 3.21Å
437M93.1Very high85.4Confident14 Ų1462.9 Ų62.97%0.06933%0.331CS..Hα-helixtrans-69.2-41.5176.7-71175.76200112.7T384 L387 V388 I433 L434 T435 K440 N441 L442 L444T384-M437 HydrophobicContact CG2-CE 3.47Å; T384-M437 VanDerWaalsContact CG2-CE 3.47Å; T384-M437 HydrophobicContact CG2-SD 4.4Å; L387-M437 HydrophobicContact CD2-CE 3.81Å; L387-M437 HydrophobicContact CD2-SD 3.98Å; L387-M437 HydrophobicContact CG-SD 4.49Å; V388-M437 HydrophobicContact CG2-SD 4.37Å; I433-M437 HydrophobicContact CG2-SD 3.92Å; I433-M437 VanDerWaalsContact O-CG 3.25Å; I433-M437 WeakPolarHBondContact O-CG 3.25Å; I433-M437 PolarHBondContact O-N 3.24Å; L434-M437 WeakPolarHBondContact O-CB 3.33Å; L434-M437 PolarHBondContact O-N 3.27Å; L434-M437 VanDerWaalsContact O-N 3.15Å; T435-M437 VanDerWaalsContact C-N 3.31Å; T435-M437 PolarHBondContact O-N 3.08Å; M437-K440 PolarHBondContact O-N 2.95Å; M437-N441 PolarHBondContact O-N 3.41Å; M437-L442 HydrophobicContact CG-CD1 4.27Å; M437-L442 PolarHBondContact O-N 3.08Å; M437-L444 HydrophobicContact CE-CD1 3.43Å; M437-L444 VanDerWaalsContact CE-CD1 3.43Å
438E91.4Very high82.4Confident88 Ų8869.8 Ų69.841%0.41137%0.367SS..Hα-helixtrans-62.6-46.3174.9-72.1167.7174.800111.1H354 L434 T435 K440 N441H354-E438 IonicContact CE1-OE1 3.23Å; H354-E438 IonicContact CE1-OE2 2.78Å; H354-E438 PolarHBondContact CE1-OE2 2.8Å; H354-E438 IonicContact CG-OE1 2.98Å; H354-E438 IonicContact ND1-OE1 3.85Å; H354-E438 PolarHBondContact ND1-OE1 2.81Å; H354-E438 IonicContact ND1-OE2 2.79Å; H354-E438 PolarHBondContact ND1-OE2 2.83Å; H354-E438 VanDerWaalsContact ND1-OE2 3.13Å; L434-E438 WeakPolarHBondContact O-CG 3.36Å; L434-E438 PolarHBondContact O-N 2.49Å; T435-E438 PolarHBondContact O-N 3.37Å; E438-K440 PolarHBondContact O-N 2.83Å; E438-N441 PolarHBondContact O-N 3.27Å; E438-N441 VanDerWaalsContact O-N 3.07Å
439A88.5Confident79.4Confident84 Ų8479.5 Ų79.569%0.69441%0.407SS*.Hα-helixtrans-60.6-32.117800000113T435T435-A439 WeakPolarHBondContact O-CB 3.2Å; T435-A439 PolarHBondContact O-N 3.03Å
440K84.3Confident78.4Confident123 Ų12382.9 Ų82.954%0.53542%0.423SS..THydrogen-bonded Turntrans-87.10179-71.1170.6177.9159.50113.9D436 M437 E438 L442D436-K440 WeakPolarHBondContact O-CB 3.32Å; D436-K440 WeakPolarHBondContact O-CG 3.23Å; D436-K440 PolarHBondContact O-N 3.49Å; D436-K440 WeakPolarHBondContact OD1-CE 3.23Å; D436-K440 IonicContact OD1-NZ 3.86Å; D436-K440 PolarHBondContact OD1-NZ 2.93Å; D436-K440 IonicContact OD2-NZ 2.77Å; D436-K440 PolarHBondContact OD2-NZ 3.21Å; M437-K440 PolarHBondContact O-N 2.95Å; E438-K440 PolarHBondContact O-N 2.83Å; K440-L442 HydrophobicContact CB-CD1 3.93Å; K440-L442 HydrophobicContact CB-CG 3.88Å; K440-L442 HydrophobicContact CD-CD1 4.16Å; K440-L442 PolarHBondContact O-N 3.36Å; K440-L442 VanDerWaalsContact O-N 3.15Å
441N72.3Confident77.3Confident137 Ų13787.2 Ų87.273%0.73345%0.445SS*.THydrogen-bonded Turntrans48.437.1-174.6-80.1-35.4000113.2M437 E438 K443M437-N441 PolarHBondContact O-N 3.41Å; E438-N441 PolarHBondContact O-N 3.27Å; E438-N441 VanDerWaalsContact O-N 3.07Å; N441-K443 PolarHBondContact O-N 3.06Å
442L69.3Low76.2Confident79 Ų7990.3 Ų90.341%0.41446%0.461SS..  trans-69.192-178.3-79.2163.7000110.4M437 K440 L444M437-L442 HydrophobicContact CG-CD1 4.27Å; M437-L442 PolarHBondContact O-N 3.08Å; K440-L442 HydrophobicContact CB-CD1 3.93Å; K440-L442 HydrophobicContact CB-CG 3.88Å; K440-L442 HydrophobicContact CD-CD1 4.16Å; K440-L442 PolarHBondContact O-N 3.36Å; K440-L442 VanDerWaalsContact O-N 3.15Å; L442-L444 VanDerWaalsContact C-N 3.26Å; L442-L444 HydrophobicContact CB-CG 4.27Å; L442-L444 PolarHBondContact O-N 3.13Å
443K64.1Low74.8Confident155 Ų15590 Ų9067%0.67447%0.467SS*.  trans-80.370.9172.1-68.1-173.3178.3-1760110.7N441 E445N441-K443 PolarHBondContact O-N 3.06Å; K443-E445 PolarHBondContact O-N 3.29Å
444L72.5Confident73.4Confident46 Ų4695.6 Ų95.624%0.24150%0.496CS..G310 helixtrans-65.8-27.4-175.9-65.9166000113.5K383 L387 M437 L442K383-L444 HydrophobicContact CB-CB 4.26Å; K383-L444 WeakPolarHBondContact CD-O 3.5Å; K383-L444 PolarHBondContact NZ-O 3.44Å; L387-L444 HydrophobicContact CB-CD1 4.36Å; L387-L444 HydrophobicContact CD2-CD1 3.47Å; L387-L444 VanDerWaalsContact CD2-CD1 3.47Å; M437-L444 HydrophobicContact CE-CD1 3.43Å; M437-L444 VanDerWaalsContact CE-CD1 3.43Å; L442-L444 VanDerWaalsContact C-N 3.26Å; L442-L444 HydrophobicContact CB-CG 4.27Å; L442-L444 PolarHBondContact O-N 3.13Å
445E71.6Confident71.8Confident42 Ų42101.7 Ų101.720%0.19653%0.528CS..G310 helixtrans-91.5-2.8-169.7-52.3-68.617300113.9I373 A381 T382 K383 T384 K443I373-E445 HydrophobicContact CD1-CB 3.35Å; I373-E445 HydrophobicContact CD1-CG 3.62Å; I373-E445 HydrophobicContact CG1-CB 4.1Å; I373-E445 HydrophobicContact CG1-CG 3.85Å; A381-E445 WeakPolarHBondContact CA-OE1 3.17Å; T382-E445 PolarHBondContact N-OE1 3.21Å; K383-E445 WeakPolarHBondContact CA-OE1 3.3Å; K383-E445 WeakPolarHBondContact CB-OE1 3.27Å; K383-E445 PolarHBondContact N-OE1 3.36Å; K383-E445 PolarHBondContact N-OE2 2.98Å; T384-E445 PolarHBondContact N-OE1 2.83Å; T384-E445 PolarHBondContact OG1-OE1 2.89Å; K443-E445 PolarHBondContact O-N 3.29Å
446N55.7Low69.9Low117 Ų117104.7 Ų104.763%0.62654%0.539SS*.G310 helixtrans-99.30.4-177.6-74.3-13.1000114.3
447E47.6Very low67.9Low141 Ų141109.5 Ų109.566%0.65956%0.564SS**SBendtrans-96.6114.8172-67.3-177.3168.700108.2K383K383-E447 PolarHBondContact NZ-O 3.33Å
448D36.9Very low65.8Low155 Ų155117.5 Ų117.583%0.82961%0.605SS**  trans72.997.2176.5-51.9-30.7000118.1
449I35.3Very low63.4Low243 Ų243120.2 Ų120.2100%1.24662%0.622SS**  trans-950144.2-66.8176.7000107.7

Retrieved 449 of 449 residues in 588.6 ms (Link to these results)

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