A0A077YYR5_TRITR Loading...

Pyruvate dehydrogenase E1 component subunit alpha

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2).

AlphaFold DB , UniProt , Accession A0A077YYR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low62.3Low228 Ų228136.8 Ų136.8100%1.12368%0.683SS**  0105.40-79.7178.3177.600107.7F3M1-F3 PolarHBondContact O-N 3.27Å; M1-F3 VanDerWaalsContact O-N 3.15Å
2A40.2Very low65.1Low106 Ų106129.1 Ų129.188%0.87665%0.645SS**  trans-68.8110.2170.300000107.2R4A2-R4 PolarHBondContact O-N 2.58Å
3F44.1Very low67.6Low195 Ų195124.4 Ų124.486%0.85563%0.627SS**  trans-62.1104.7169.3-91-94.6000107.2M1 R5M1-F3 PolarHBondContact O-N 3.27Å; M1-F3 VanDerWaalsContact O-N 3.15Å; F3-R5 PolarHBondContact O-N 3.43Å
4R51.4Low69.7Low184 Ų184117.5 Ų117.569%0.69459%0.591SS**  trans-59.2103.7163.8-112.7-178.7175.2178.6-2.1106A2 Y6A2-R4 PolarHBondContact O-N 2.58Å; R4-Y6 PolarHBondContact O-N 3.27Å
5R50.4Low71.5Confident219 Ų219119 Ų11983%0.82660%0.595SS**  trans-67.5102.5166.6-79.7-174.9172.8-175.1-2.1105.5F3 S7F3-R5 PolarHBondContact O-N 3.43Å; R5-S7 PolarHBondContact O-N 3.16Å
6Y54.8Low73.2Confident185 Ų185111.8 Ų111.873%0.72556%0.56SS**  trans-61.6128.5166.7-73.3-85.9000107.2R4 S8R4-Y6 PolarHBondContact O-N 3.27Å; Y6-S8 PolarHBondContact O-N 2.96Å
7S62Low74.6Confident21 Ų21108.6 Ų108.615%0.14755%0.548CS..  trans-54132.1168.2170.30000108.3R5 V9 G308R5-S7 PolarHBondContact O-N 3.16Å; S7-V9 PolarHBondContact O-N 3.39Å; S7-V9 PolarHBondContact OG-N 3.22Å; S7-V9 VanDerWaalsContact OG-N 3.11Å; S7-V9 PolarHBondContact OG-O 2.79Å; S7-G308 WeakPolarHBondContact CB-O 3.46Å; S7-G308 PolarHBondContact OG-O 2.96Å
8S68.9Low75.9Confident123 Ų123107.2 Ų107.286%0.8655%0.547SS*.SBendtrans-73.3-8.7175.657.60000112.8Y6Y6-S8 PolarHBondContact O-N 2.96Å
9V85.5Confident77Confident47 Ų47102.8 Ų102.829%0.28552%0.524SS..  trans-97.9114.6-176.5-174.60000108.9S7 E11 M12 L309S7-V9 PolarHBondContact O-N 3.39Å; S7-V9 PolarHBondContact OG-N 3.22Å; S7-V9 VanDerWaalsContact OG-N 3.11Å; S7-V9 PolarHBondContact OG-O 2.79Å; V9-E11 WeakPolarHBondContact CG1-O 3.46Å; V9-M12 HydrophobicContact CG1-CG 3.68Å; V9-L309 HydrophobicContact CG1-CD1 4.06Å
10S93.7Very high78.1Confident88 Ų88103 Ų10362%0.61552%0.52SS*.SBendtrans-86.2-25.8179.255.40000113.4T35 R36S10-T35 CarbonylContact O-C 2.99Å; S10-T35 WeakPolarHBondContact O-CA 3.25Å; S10-R36 PolarHBondContact O-N 3.12Å
11E96.6Very high79.1Confident109 Ų109101.1 Ų101.151%0.50951%0.512SS..EExtended strand (participates in β ladder)trans-152.8156.6179.363.7179.9-152.700111.4V9 T33 V34 T35V9-E11 WeakPolarHBondContact CG1-O 3.46Å; E11-T33 HydrophobicContact CB-CG2 4.1Å; E11-T33 HydrophobicContact CG-CG2 4.31Å; E11-V34 CarbonylContact C-O 3.6Å; E11-V34 VanDerWaalsContact CA-O 3.3Å; E11-V34 WeakPolarHBondContact CA-O 3.38Å; E11-T35 HydrophobicContact CB-CG2 4.32Å
12M95.9Very high82Confident44 Ų4492.1 Ų92.122%0.21747%0.467CS..EExtended strand (participates in β ladder)trans-140.6148.2175-80.3-171.771.800111.3V9 F14 T33 V34 G307 L309V9-M12 HydrophobicContact CG1-CG 3.68Å; M12-F14 HydrophobicContact CB-CD2 4.39Å; M12-F14 HydrophobicContact CB-CE2 3.62Å; M12-F14 HydrophobicContact CB-CZ 3.84Å; M12-F14 HydrophobicContact CE-CE1 3.84Å; M12-F14 HydrophobicContact CE-CZ 3.75Å; M12-F14 HydrophobicContact SD-CE1 4.49Å; M12-F14 HydrophobicContact SD-CZ 3.84Å; M12-T33 CarbonylContact O-C 3.58Å; M12-T33 VanDerWaalsContact O-CA 3.3Å; M12-T33 WeakPolarHBondContact O-CA 3.25Å; M12-V34 PolarHBondContact N-O 2.77Å; M12-V34 PolarHBondContact O-N 3.46Å; M12-G307 VanDerWaalsContact CE-CA 3.46Å; M12-G307 WeakPolarHBondContact SD-CA 3.25Å; M12-L309 HydrophobicContact CB-CD2 4.35Å; M12-L309 HydrophobicContact CG-CB 4.24Å; M12-L309 HydrophobicContact CG-CD1 4.28Å; M12-L309 HydrophobicContact SD-CB 3.83Å
13T97.4Very high84.8Confident68 Ų6893.3 Ų93.342%0.41745%0.452SS..EExtended strand (participates in β ladder)trans-104.4126.9173-59.50000110.2R31 V32 T33T13-R31 HydrophobicContact CG2-CB 3.97Å; T13-V32 WeakPolarHBondContact CA-O 3.29Å; T13-T33 PolarHBondContact OG1-OG1 2.84Å
14F96.6Very high87.3Confident28 Ų2885.2 Ų85.212%0.12342%0.418CS..EExtended strand (participates in β ladder)trans-113.8153.6176.2-60.9-83.5000110.2M12 R31 V32 V34 L240 K303 V304M12-F14 HydrophobicContact CB-CD2 4.39Å; M12-F14 HydrophobicContact CB-CE2 3.62Å; M12-F14 HydrophobicContact CB-CZ 3.84Å; M12-F14 HydrophobicContact CE-CE1 3.84Å; M12-F14 HydrophobicContact CE-CZ 3.75Å; M12-F14 HydrophobicContact SD-CE1 4.49Å; M12-F14 HydrophobicContact SD-CZ 3.84Å; F14-R31 CarbonylContact O-C 3.5Å; F14-R31 WeakPolarHBondContact O-CA 3.3Å; F14-V32 PolarHBondContact N-O 3.49Å; F14-V32 PolarHBondContact O-N 2.9Å; F14-V34 HydrophobicContact CD2-CG1 3.77Å; F14-V34 HydrophobicContact CE2-CG1 3.49Å; F14-V34 VanDerWaalsContact CE2-CG1 3.49Å; F14-L240 HydrophobicContact CB-CD1 4.07Å; F14-L240 HydrophobicContact CD2-CD1 3.67Å; F14-L240 HydrophobicContact CE2-CD1 4.49Å; F14-L240 HydrophobicContact CG-CD1 4.12Å; F14-K303 HydrophobicContact CD1-CB 4.42Å; F14-K303 HydrophobicContact CE1-CB 4.05Å; F14-V304 HydrophobicContact CZ-CG1 4.46Å
15E97.4Very high89.4Confident140 Ų14084.9 Ų84.965%0.65443%0.43SS*.EExtended strand (participates in β ladder)trans-95.4125.4168.3-163.1172.4167.800109.1V30E15-V30 CarbonylContact C-O 3.53Å; E15-V30 WeakPolarHBondContact CA-O 2.94Å; E15-V30 HydrophobicContact CG-CB 4.44Å; E15-V30 HydrophobicContact CG-CG2 4.28Å
16V97.9Very high91.6Very high4 Ų478.2 Ų78.22%0.02442%0.417CS..PPolyproline II helixtrans-94.6162.3176-59.80000110.7F19 V30 V32 L240 A241V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 3.95Å; V16-V30 HydrophobicContact CG2-CB 4.44Å; V16-V30 WeakPolarHBondContact CG2-O 3.25Å; V16-V30 PolarHBondContact N-O 3.47Å; V16-V32 HydrophobicContact CG1-CB 4.3Å; V16-V32 HydrophobicContact CG1-CG2 3.82Å; V16-V32 HydrophobicContact CG2-CG2 3.99Å; V16-L240 HydrophobicContact CG1-CB 3.88Å; V16-A241 HydrophobicContact CB-CB 3.9Å; V16-A241 HydrophobicContact CG1-CB 4.13Å; V16-A241 HydrophobicContact CG2-CB 4.2Å
17T97.1Very high93.6Very high58 Ų5870.5 Ų70.536%0.35639%0.394SS..PPolyproline II helixtrans-56.1129174.6-51.70000110.3F19 W233 N235T17-F19 PolarHBondContact O-N 3.3Å; T17-W233 HydrophobicContact CG2-CZ3 4.41Å; T17-N235 HydrophobicContact CG2-CB 4.32Å; T17-N235 PolarHBondContact OG1-ND2 2.9Å; T17-N235 VanDerWaalsContact OG1-ND2 3.07Å
18P97.8Very high95.3Very high83 Ų8370 Ų7054%0.53939%0.39SS..PPolyproline II helixtrans-54.6135.1177.8-28.535.4000112.5V30P18-V30 HydrophobicContact CB-CG1 4.37Å
19F98.4Very high96.7Very high24 Ų2468.8 Ų68.811%0.10537%0.374CS..PPolyproline II helixtrans-72.9149176.6-49.3-83.1000110.9V16 T17 L21 P28 V30 L232 W233 V234 A241 Q244 A245V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 3.95Å; T17-F19 PolarHBondContact O-N 3.3Å; F19-L21 HydrophobicContact CB-CD2 4.35Å; F19-P28 HydrophobicContact CD1-CG 4.36Å; F19-P28 HydrophobicContact CD2-CB 4.03Å; F19-P28 HydrophobicContact CD2-CG 3.88Å; F19-P28 WeakPolarHBondContact CD2-O 3.39Å; F19-P28 HydrophobicContact CE1-CG 4.31Å; F19-P28 HydrophobicContact CE2-CB 3.58Å; F19-P28 HydrophobicContact CE2-CG 3.83Å; F19-P28 WeakPolarHBondContact CE2-O 3.23Å; F19-P28 HydrophobicContact CG-CG 4.16Å; F19-P28 HydrophobicContact CZ-CB 3.93Å; F19-P28 HydrophobicContact CZ-CG 4.04Å; F19-V30 HydrophobicContact CD2-CG1 4.41Å; F19-V30 HydrophobicContact CE2-CG1 4.42Å; F19-L232 HydrophobicContact CB-CD1 3.42Å; F19-L232 VanDerWaalsContact CB-CD1 3.42Å; F19-L232 HydrophobicContact CB-CG 4.26Å; F19-L232 HydrophobicContact CD1-CD1 4.27Å; F19-L232 HydrophobicContact CD1-CD2 4.3Å; F19-L232 HydrophobicContact CD1-CG 4.35Å; F19-L232 HydrophobicContact CG-CD1 3.97Å; F19-W233 WeakPolarHBondContact CA-O 3.32Å; F19-V234 HydrophobicContact CD1-CB 4.5Å; F19-V234 HydrophobicContact CD1-CG1 4.47Å; F19-V234 HydrophobicContact CD1-CG2 4.05Å; F19-V234 HydrophobicContact CE1-CG1 4.16Å; F19-V234 HydrophobicContact CE1-CG2 4.3Å; F19-A241 HydrophobicContact CE1-CB 4.38Å; F19-Q244 HydrophobicContact CZ-CB 4.41Å; F19-Q244 HydrophobicContact CZ-CG 4.42Å; F19-A245 HydrophobicContact CD1-CB 4.37Å; F19-A245 HydrophobicContact CE1-CB 3.79Å; F19-A245 HydrophobicContact CZ-CB 4.47Å
20K98.7Very high97.3Very high105 Ų10568.5 Ų68.546%0.45737%0.372SS..EExtended strand (participates in β ladder)trans-97.6134.8169.6-48.5171.2-178165.20108.9Y223 L232 W233K20-Y223 HydrophobicContact CB-CE2 4.07Å; K20-L232 CarbonylContact O-C 3.59Å; K20-L232 WeakPolarHBondContact O-CA 3.23Å; K20-W233 HydrophobicContact CB-CB 3.69Å; K20-W233 HydrophobicContact CB-CG 4.45Å; K20-W233 HydrophobicContact CD-CB 4.18Å; K20-W233 HydrophobicContact CD-CD2 4.1Å; K20-W233 HydrophobicContact CD-CE3 4.24Å; K20-W233 HydrophobicContact CD-CG 4.06Å; K20-W233 HydrophobicContact CG-CB 4.09Å; K20-W233 HydrophobicContact CG-CD2 4.38Å; K20-W233 HydrophobicContact CG-CE3 4.16Å; K20-W233 HydrophobicContact CG-CG 4.37Å; K20-W233 PolarHBondContact N-O 3.3Å; K20-W233 PolarHBondContact O-N 3.34Å
21L98.6Very high97.5Very high65 Ų6572.4 Ų72.434%0.3437%0.373SS..EExtended strand (participates in β ladder)trans-108.2145.9-173.5-53.1-172.2000111F19 L24 L232F19-L21 HydrophobicContact CB-CD2 4.35Å; L21-L24 HydrophobicContact CB-CB 4.24Å; L21-L24 HydrophobicContact CD1-CB 4.32Å; L21-L24 HydrophobicContact CD2-CD1 4.34Å; L21-L232 HydrophobicContact CD2-CD1 3.38Å
22H98.7Very high97.6Very high38 Ų3867.2 Ų67.218%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-130118.4169.7176.565.5000109.1L24 Y223 T224 D227 I229 P230 G231H22-L24 PolarHBondContact O-N 2.96Å; H22-Y223 HydrophobicContact CB-CD2 3.8Å; H22-Y223 HydrophobicContact CB-CE2 3.94Å; H22-T224 HydrophobicContact CB-CG2 4.03Å; H22-D227 PolarHBondContact NE2-O 3.21Å; H22-I229 PolarHBondContact CD2-O 3.46Å; H22-P230 CarbonylContact O-C 3.53Å; H22-P230 VanDerWaalsContact O-CA 3.23Å; H22-P230 WeakPolarHBondContact O-CA 3.46Å; H22-G231 PolarHBondContact N-O 2.91Å; H22-G231 PolarHBondContact O-N 3.08Å
23K98.2Very high97.7Very high131 Ų13167.8 Ų67.857%0.5736%0.355SS*.SBendtrans52.538.4-177.5-60.9-179.9179.4-76.50113.8D227 P230K23-D227 VanDerWaalsContact CD-O 3.25Å; K23-D227 WeakPolarHBondContact CD-O 3.43Å; K23-D227 WeakPolarHBondContact CE-O 3.33Å; K23-P230 HydrophobicContact CB-CB 4.42Å
24L97.9Very high97.7Very high26 Ų2664.6 Ų64.614%0.13634%0.335CS..  trans-129.6135.8172.4-66.2171.1000109L21 H22 P230 W248 Y252 L260L21-L24 HydrophobicContact CB-CB 4.24Å; L21-L24 HydrophobicContact CD1-CB 4.32Å; L21-L24 HydrophobicContact CD2-CD1 4.34Å; H22-L24 PolarHBondContact O-N 2.96Å; L24-P230 HydrophobicContact CD1-CB 4.45Å; L24-P230 HydrophobicContact CD2-CB 3.52Å; L24-P230 HydrophobicContact CD2-CG 4.27Å; L24-P230 HydrophobicContact CG-CB 3.73Å; L24-W248 HydrophobicContact CD1-CH2 3.62Å; L24-W248 HydrophobicContact CD1-CZ3 3.98Å; L24-W248 HydrophobicContact CD2-CH2 3.86Å; L24-W248 HydrophobicContact CG-CH2 4.34Å; L24-Y252 HydrophobicContact CD2-CE2 3.94Å; L24-L260 HydrophobicContact CD1-CD1 4.2Å
25D95.5Very high97.8Very high177 Ų17765.5 Ų65.595%0.94734%0.343SS*.SBendtrans-79.2-26.9175.6-59.6-37.9000112
26S96.3Very high97.8Very high78 Ų7860.2 Ų60.255%0.54532%0.317SS..  trans-144.1150.9178.161.50000110.7W248S26-W248 WeakPolarHBondContact O-CZ2 3.27Å
27G96.8Very high97.8Very high24 Ų2465.9 Ų65.925%0.24735%0.348CS..  trans-117.8-166.3175.300000112.7W248G27-W248 PolarHBondContact O-NE1 3.28Å
28P98.2Very high97.9Very high9 Ų966.1 Ų66.16%0.05835%0.345CS..  trans-62.9152171.4-6.619.1000111.4F19 L232 Q244 A245 W248F19-P28 HydrophobicContact CD1-CG 4.36Å; F19-P28 HydrophobicContact CD2-CB 4.03Å; F19-P28 HydrophobicContact CD2-CG 3.88Å; F19-P28 WeakPolarHBondContact CD2-O 3.39Å; F19-P28 HydrophobicContact CE1-CG 4.31Å; F19-P28 HydrophobicContact CE2-CB 3.58Å; F19-P28 HydrophobicContact CE2-CG 3.83Å; F19-P28 WeakPolarHBondContact CE2-O 3.23Å; F19-P28 HydrophobicContact CG-CG 4.16Å; F19-P28 HydrophobicContact CZ-CB 3.93Å; F19-P28 HydrophobicContact CZ-CG 4.04Å; P28-L232 HydrophobicContact CG-CD1 4.26Å; P28-L232 HydrophobicContact CG-CD2 3.68Å; P28-Q244 HydrophobicContact CB-CG 3.88Å; P28-A245 HydrophobicContact CG-CB 4.44Å; P28-W248 HydrophobicContact CB-CB 3.81Å; P28-W248 HydrophobicContact CB-CG 3.94Å; P28-W248 HydrophobicContact CG-CB 3.81Å; P28-W248 HydrophobicContact CG-CD2 4.09Å; P28-W248 HydrophobicContact CG-CE3 4.39Å; P28-W248 HydrophobicContact CG-CG 3.83Å
29D97.8Very high97.9Very high99 Ų9962.2 Ų62.253%0.52932%0.319SS..  trans-63.2141.8173.9-160.4-27000110.3R31 Q244D29-R31 PolarHBondContact OD1-N 3.26Å; D29-Q244 WeakPolarHBondContact O-CG 3.29Å
30V98.2Very high97.9Very high41 Ų4162.8 Ų62.825%0.24832%0.323CS..SBendtrans-84.8-17.8175.6-61.90000112E15 V16 P18 F19E15-V30 CarbonylContact C-O 3.53Å; E15-V30 WeakPolarHBondContact CA-O 2.94Å; E15-V30 HydrophobicContact CG-CB 4.44Å; E15-V30 HydrophobicContact CG-CG2 4.28Å; V16-V30 HydrophobicContact CG2-CB 4.44Å; V16-V30 WeakPolarHBondContact CG2-O 3.25Å; V16-V30 PolarHBondContact N-O 3.47Å; P18-V30 HydrophobicContact CB-CG1 4.37Å; F19-V30 HydrophobicContact CD2-CG1 4.41Å; F19-V30 HydrophobicContact CE2-CG1 4.42Å
31R98.4Very high97.9Very high169 Ų16961.7 Ų61.764%0.63832%0.32SS*.EExtended strand (participates in β ladder)trans-92112.9174.1-59.9-171.481.8-177.34.6109.1T13 F14 D29T13-R31 HydrophobicContact CG2-CB 3.97Å; F14-R31 CarbonylContact O-C 3.5Å; F14-R31 WeakPolarHBondContact O-CA 3.3Å; D29-R31 PolarHBondContact OD1-N 3.26Å
32V97.9Very high97.9Very high1 Ų159.3 Ų59.31%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-119.3119.2-172.4-1740000109.5T13 F14 V16 L240 Q244T13-V32 WeakPolarHBondContact CA-O 3.29Å; F14-V32 PolarHBondContact N-O 3.49Å; F14-V32 PolarHBondContact O-N 2.9Å; V16-V32 HydrophobicContact CG1-CB 4.3Å; V16-V32 HydrophobicContact CG1-CG2 3.82Å; V16-V32 HydrophobicContact CG2-CG2 3.99Å; V32-L240 HydrophobicContact CB-CB 4.49Å; V32-L240 HydrophobicContact CG1-CB 4.13Å; V32-Q244 HydrophobicContact CG1-CB 4.43Å; V32-Q244 HydrophobicContact CG2-CB 3.84Å; V32-Q244 HydrophobicContact CG2-CG 3.8Å
33T98.1Very high97.9Very high56 Ų5657.5 Ų57.534%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-88.2133.1175.3-51.10000110.4E11 M12 T13 R243E11-T33 HydrophobicContact CB-CG2 4.1Å; E11-T33 HydrophobicContact CG-CG2 4.31Å; M12-T33 CarbonylContact O-C 3.58Å; M12-T33 VanDerWaalsContact O-CA 3.3Å; M12-T33 WeakPolarHBondContact O-CA 3.25Å; T13-T33 PolarHBondContact OG1-OG1 2.84Å; T33-R243 PolarHBondContact O-NH2 2.98Å
34V98.1Very high97.9Very high0 Ų054.4 Ų54.40%029%0.285CS..EExtended strand (participates in β ladder)trans-128.6132.2174.464.30000109.2E11 M12 F14 E38 A39 Y42 L240 L309E11-V34 CarbonylContact C-O 3.6Å; E11-V34 VanDerWaalsContact CA-O 3.3Å; E11-V34 WeakPolarHBondContact CA-O 3.38Å; M12-V34 PolarHBondContact N-O 2.77Å; M12-V34 PolarHBondContact O-N 3.46Å; F14-V34 HydrophobicContact CD2-CG1 3.77Å; F14-V34 HydrophobicContact CE2-CG1 3.49Å; F14-V34 VanDerWaalsContact CE2-CG1 3.49Å; V34-E38 HydrophobicContact CG2-CB 3.68Å; V34-A39 HydrophobicContact CG2-CB 4.26Å; V34-Y42 HydrophobicContact CG2-CD2 4.46Å; V34-Y42 HydrophobicContact CG2-CE2 4Å; V34-L240 HydrophobicContact CB-CD2 3.94Å; V34-L240 HydrophobicContact CG1-CD1 4.2Å; V34-L240 HydrophobicContact CG1-CD2 4.31Å; V34-L240 HydrophobicContact CG2-CD2 4.02Å; V34-L309 HydrophobicContact CG1-CD2 3.84Å
35T98.1Very high98Very high47 Ų4755 Ų5529%0.28829%0.287SS..EExtended strand (participates in β ladder)trans-78.1161.2173.963.80000110.6S10 E11 D37 E38 A39S10-T35 CarbonylContact O-C 2.99Å; S10-T35 WeakPolarHBondContact O-CA 3.25Å; E11-T35 HydrophobicContact CB-CG2 4.32Å; T35-D37 VanDerWaalsContact C-N 3.3Å; T35-D37 PolarHBondContact O-N 3.25Å; T35-E38 PolarHBondContact N-OE2 3.31Å; T35-E38 PolarHBondContact O-N 2.86Å; T35-E38 WeakPolarHBondContact OG1-CB 3.15Å; T35-E38 WeakPolarHBondContact OG1-CG 3.15Å; T35-E38 PolarHBondContact OG1-N 3.16Å; T35-E38 PolarHBondContact OG1-OE2 2.8Å; T35-A39 WeakPolarHBondContact O-CB 3.41Å; T35-A39 PolarHBondContact O-N 2.84Å
36R97.5Very high98.1Very high29 Ų2946.6 Ų46.611%0.10924%0.242CC..Hα-helixtrans-58.2-43.4175.5176.4173.9174.195.7-8.1112S10 A39 L40 L309 E314S10-R36 PolarHBondContact O-N 3.12Å; R36-A39 PolarHBondContact O-N 3.09Å; R36-L40 HydrophobicContact CG-CD1 4.07Å; R36-L40 WeakPolarHBondContact O-CG 3.47Å; R36-L40 PolarHBondContact O-N 2.93Å; R36-L309 HydrophobicContact CB-CD1 3.86Å; R36-L309 HydrophobicContact CB-CG 4.23Å; R36-L309 WeakPolarHBondContact CG-O 3.46Å; R36-L309 PolarHBondContact NH1-O 3.42Å; R36-E314 IonicContact CZ-OE1 3.92Å; R36-E314 IonicContact CZ-OE2 2.88Å; R36-E314 IonicContact NH1-OE2 2.82Å; R36-E314 PolarHBondContact NH1-OE2 2.96Å; R36-E314 IonicContact NH2-OE1 3.66Å; R36-E314 PolarHBondContact NH2-OE1 3.37Å; R36-E314 IonicContact NH2-OE2 3.33Å; R36-E314 PolarHBondContact NH2-OE2 3.44Å
37D97.8Very high98.2Very high124 Ų12443.4 Ų43.466%0.66322%0.218SC*.Hα-helixtrans-65.3-43.3-178.4-67.5-15.9000111.3T35 A39 L40 E41T35-D37 VanDerWaalsContact C-N 3.3Å; T35-D37 PolarHBondContact O-N 3.25Å; D37-A39 VanDerWaalsContact C-N 3.35Å; D37-A39 PolarHBondContact O-N 3.21Å; D37-L40 PolarHBondContact O-N 2.89Å; D37-E41 WeakPolarHBondContact O-CB 3.39Å; D37-E41 PolarHBondContact O-N 3.45Å
38E98.3Very high98.3Very high63 Ų6343 Ų4329%0.29421%0.211SC..Hα-helixtrans-60.5-43.3172.6-74.1173.3128.300112V34 T35 L40 E41 Y42 R243V34-E38 HydrophobicContact CG2-CB 3.68Å; T35-E38 PolarHBondContact N-OE2 3.31Å; T35-E38 PolarHBondContact O-N 2.86Å; T35-E38 WeakPolarHBondContact OG1-CB 3.15Å; T35-E38 WeakPolarHBondContact OG1-CG 3.15Å; T35-E38 PolarHBondContact OG1-N 3.16Å; T35-E38 PolarHBondContact OG1-OE2 2.8Å; E38-L40 PolarHBondContact O-N 3.32Å; E38-E41 PolarHBondContact O-N 2.92Å; E38-Y42 HydrophobicContact CB-CE1 4.27Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 VanDerWaalsContact O-CD1 3.25Å; E38-Y42 WeakPolarHBondContact O-CD1 3.39Å; E38-Y42 WeakPolarHBondContact O-CD2 3.27Å; E38-Y42 PolarHBondContact O-N 3.38Å; E38-Y42 PolarHBondContact OE1-OH 3.4Å; E38-R243 IonicContact OE1-NH1 3.41Å; E38-R243 PolarHBondContact OE1-NH1 3.46Å; E38-R243 IonicContact OE2-NH1 3.57Å; E38-R243 PolarHBondContact OE2-NH1 3.45Å
39A98.4Very high98.4Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-62.4-44179.700000112.4V34 T35 R36 D37 E41 L43 F300 V304 L309 V310V34-A39 HydrophobicContact CG2-CB 4.26Å; T35-A39 WeakPolarHBondContact O-CB 3.41Å; T35-A39 PolarHBondContact O-N 2.84Å; R36-A39 PolarHBondContact O-N 3.09Å; D37-A39 VanDerWaalsContact C-N 3.35Å; D37-A39 PolarHBondContact O-N 3.21Å; A39-E41 VanDerWaalsContact C-N 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.47Å; A39-L43 PolarHBondContact O-N 3.47Å; A39-L43 VanDerWaalsContact O-N 3.1Å; A39-F300 HydrophobicContact CB-CE1 4.4Å; A39-F300 HydrophobicContact CB-CZ 4.08Å; A39-V304 HydrophobicContact CB-CB 4.39Å; A39-V304 HydrophobicContact CB-CG1 3.95Å; A39-L309 HydrophobicContact CB-CD2 3.79Å; A39-L309 HydrophobicContact CB-CG 4.49Å; A39-V310 HydrophobicContact CB-CG2 3.91Å
40L98.3Very high98.4Very high36 Ų3640.2 Ų40.219%0.18819%0.191CC..Hα-helixtrans-62.6-43.2175.3-68.3168.6000111R36 D37 E38 L43 K44 V310 E314 I318R36-L40 HydrophobicContact CG-CD1 4.07Å; R36-L40 WeakPolarHBondContact O-CG 3.47Å; R36-L40 PolarHBondContact O-N 2.93Å; D37-L40 PolarHBondContact O-N 2.89Å; E38-L40 PolarHBondContact O-N 3.32Å; L40-L43 PolarHBondContact O-N 3.28Å; L40-K44 WeakPolarHBondContact O-CB 3.42Å; L40-K44 PolarHBondContact O-N 2.9Å; L40-V310 HydrophobicContact CD2-CB 4.49Å; L40-V310 HydrophobicContact CD2-CG1 3.76Å; L40-V310 HydrophobicContact CD2-CG2 3.94Å; L40-V310 HydrophobicContact CG-CG2 4.17Å; L40-E314 HydrophobicContact CD2-CB 4.29Å; L40-I318 HydrophobicContact CB-CD1 4.3Å; L40-I318 HydrophobicContact CD2-CD1 3.72Å
41E98.5Very high98.4Very high83 Ų8341.1 Ų41.139%0.38819%0.19SC..Hα-helixtrans-65.4-43.6179-178.556.7-16000112.2D37 E38 A39 L43 K44 Q45D37-E41 WeakPolarHBondContact O-CB 3.39Å; D37-E41 PolarHBondContact O-N 3.45Å; E38-E41 PolarHBondContact O-N 2.92Å; A39-E41 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 3.35Å; E41-K44 WeakPolarHBondContact O-CB 3.41Å; E41-K44 PolarHBondContact O-N 3.25Å; E41-Q45 HydrophobicContact CG-CG 4.38Å; E41-Q45 WeakPolarHBondContact O-CG 3.35Å; E41-Q45 PolarHBondContact O-N 3.14Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.4Å; E41-Q45 PolarHBondContact OE1-NE2 2.83Å
42Y98.8Very high98.5Very high14 Ų1433.1 Ų33.16%0.05516%0.16CC..Hα-helixtrans-65.1-40.4179-59-13.3000111.6V34 E38 Q45 M46 V80 A84 V239 L240 R243 F300V34-Y42 HydrophobicContact CG2-CD2 4.46Å; V34-Y42 HydrophobicContact CG2-CE2 4Å; E38-Y42 HydrophobicContact CB-CE1 4.27Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 VanDerWaalsContact O-CD1 3.25Å; E38-Y42 WeakPolarHBondContact O-CD1 3.39Å; E38-Y42 WeakPolarHBondContact O-CD2 3.27Å; E38-Y42 PolarHBondContact O-N 3.38Å; E38-Y42 PolarHBondContact OE1-OH 3.4Å; Y42-Q45 PolarHBondContact O-N 3.3Å; Y42-M46 WeakPolarHBondContact O-CB 3.44Å; Y42-M46 WeakPolarHBondContact O-CG 3.18Å; Y42-M46 PolarHBondContact O-N 3.31Å; Y42-V80 HydrophobicContact CD1-CG1 4.38Å; Y42-A84 HydrophobicContact CD1-CB 4.25Å; Y42-A84 HydrophobicContact CE1-CB 3.44Å; Y42-A84 VanDerWaalsContact CE1-CB 3.44Å; Y42-V239 HydrophobicContact CD2-CG1 4.39Å; Y42-V239 HydrophobicContact CD2-CG2 4.48Å; Y42-L240 HydrophobicContact CD2-CD2 4.33Å; Y42-L240 HydrophobicContact CE2-CD2 4.11Å; Y42-R243 WeakPolarHBondContact OH-CD 3.2Å; Y42-R243 PolarHBondContact OH-NH1 3.37Å; Y42-R243 VanDerWaalsContact OH-NH1 3.16Å; Y42-F300 HydrophobicContact CD2-CE1 4.27Å; Y42-F300 AromaticContact CD2-CZ 3.9Å; Y42-F300 HydrophobicContact CD2-CZ 3.9Å
43L98.7Very high98.5Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-60-48172.6-76.6172.7000110.9A39 L40 E41 Q45 M46 M47 F300 R301 V304 V310 A315 I318A39-L43 WeakPolarHBondContact O-CG 3.47Å; A39-L43 PolarHBondContact O-N 3.47Å; A39-L43 VanDerWaalsContact O-N 3.1Å; L40-L43 PolarHBondContact O-N 3.28Å; E41-L43 PolarHBondContact O-N 3.35Å; L43-Q45 PolarHBondContact O-N 3.05Å; L43-M46 PolarHBondContact O-N 3.47Å; L43-M47 HydrophobicContact CD2-CE 4.17Å; L43-M47 VanDerWaalsContact O-CB 3.28Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 WeakPolarHBondContact O-CG 3.35Å; L43-M47 PolarHBondContact O-N 3.43Å; L43-F300 HydrophobicContact CD2-CD1 3.74Å; L43-F300 HydrophobicContact CD2-CE1 4.41Å; L43-F300 HydrophobicContact CG-CD1 3.84Å; L43-F300 HydrophobicContact CG-CE1 3.99Å; L43-R301 HydrophobicContact CD2-CB 3.9Å; L43-V304 HydrophobicContact CD1-CG2 4Å; L43-V310 HydrophobicContact CD1-CG1 4.34Å; L43-A315 HydrophobicContact CD1-CB 4.39Å; L43-I318 HydrophobicContact CB-CD1 4.44Å
44K98.7Very high98.5Very high67 Ų6732.5 Ų32.529%0.29116%0.156SC..Hα-helixtrans-55.8-51.5178.3-178.9175.4-177.5155.10111.8L40 E41 M47 L48 I318 E321L40-K44 WeakPolarHBondContact O-CB 3.42Å; L40-K44 PolarHBondContact O-N 2.9Å; E41-K44 WeakPolarHBondContact O-CB 3.41Å; E41-K44 PolarHBondContact O-N 3.25Å; K44-M47 PolarHBondContact O-N 3.35Å; K44-L48 VanDerWaalsContact O-CB 3.24Å; K44-L48 WeakPolarHBondContact O-CB 3.49Å; K44-L48 PolarHBondContact O-N 3.37Å; K44-I318 HydrophobicContact CB-CG2 3.77Å; K44-I318 HydrophobicContact CG-CG2 4.28Å; K44-E321 IonicContact NZ-OE1 2.65Å; K44-E321 PolarHBondContact NZ-OE1 2.86Å; K44-E321 IonicContact NZ-OE2 3.34Å
45Q98.8Very high98.6Very high38 Ų3832.7 Ų32.718%0.17816%0.158CC..Hα-helixtrans-64.8-45.7-178.1-67.6-60.8-33.400112E41 Y42 L43 M47 L48 V49 V80 N104E41-Q45 HydrophobicContact CG-CG 4.38Å; E41-Q45 WeakPolarHBondContact O-CG 3.35Å; E41-Q45 PolarHBondContact O-N 3.14Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.4Å; E41-Q45 PolarHBondContact OE1-NE2 2.83Å; Y42-Q45 PolarHBondContact O-N 3.3Å; L43-Q45 PolarHBondContact O-N 3.05Å; Q45-M47 PolarHBondContact O-N 2.8Å; Q45-L48 PolarHBondContact O-N 3.37Å; Q45-V49 WeakPolarHBondContact O-CG2 3.43Å; Q45-V49 PolarHBondContact O-N 3.2Å; Q45-V80 HydrophobicContact CB-CB 4.43Å; Q45-V80 HydrophobicContact CB-CG1 3.8Å; Q45-V80 HydrophobicContact CB-CG2 3.72Å; Q45-N104 PolarHBondContact OE1-ND2 2.96Å
46M98.9Very high98.6Very high0 Ų030.5 Ų30.50%014%0.144CC..Hα-helixtrans-66.3-40.7179.7-66.6-171.3-7100111.9Y42 L43 V49 R50 E76 A77 V80 V239 P296 I297 F300Y42-M46 WeakPolarHBondContact O-CB 3.44Å; Y42-M46 WeakPolarHBondContact O-CG 3.18Å; Y42-M46 PolarHBondContact O-N 3.31Å; L43-M46 PolarHBondContact O-N 3.47Å; M46-V49 PolarHBondContact O-N 3.34Å; M46-R50 WeakPolarHBondContact O-CB 3.34Å; M46-R50 PolarHBondContact O-N 2.87Å; M46-E76 HydrophobicContact CB-CB 3.88Å; M46-E76 HydrophobicContact CG-CB 3.88Å; M46-E76 HydrophobicContact SD-CB 4.37Å; M46-A77 HydrophobicContact SD-CB 4.37Å; M46-V80 HydrophobicContact CB-CG2 4.44Å; M46-V80 HydrophobicContact CG-CB 3.83Å; M46-V80 HydrophobicContact CG-CG1 4Å; M46-V80 HydrophobicContact CG-CG2 3.65Å; M46-V239 HydrophobicContact CE-CB 4.31Å; M46-V239 HydrophobicContact CE-CG1 4.11Å; M46-V239 HydrophobicContact SD-CB 4.09Å; M46-V239 HydrophobicContact SD-CG2 4.2Å; M46-P296 HydrophobicContact SD-CB 4.28Å; M46-I297 HydrophobicContact CB-CD1 4.07Å; M46-I297 HydrophobicContact CB-CG1 3.65Å; M46-I297 WeakPolarHBondContact O-CD1 3.5Å; M46-I297 HydrophobicContact SD-CG1 4.44Å; M46-F300 HydrophobicContact CE-CB 3.92Å; M46-F300 HydrophobicContact CE-CD1 3.62Å; M46-F300 HydrophobicContact CE-CE1 4.5Å; M46-F300 HydrophobicContact CE-CG 4.02Å
47M98.8Very high98.6Very high12 Ų1229.2 Ų29.26%0.05914%0.139CC..Hα-helixtrans-65.6-38.4176-71.3175.7176.400112L43 K44 Q45 R50 R51 I297 I318 E319 A322L43-M47 HydrophobicContact CD2-CE 4.17Å; L43-M47 VanDerWaalsContact O-CB 3.28Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 WeakPolarHBondContact O-CG 3.35Å; L43-M47 PolarHBondContact O-N 3.43Å; K44-M47 PolarHBondContact O-N 3.35Å; Q45-M47 PolarHBondContact O-N 2.8Å; M47-R50 PolarHBondContact O-N 3.47Å; M47-R51 WeakPolarHBondContact O-CB 3.18Å; M47-R51 PolarHBondContact O-N 3.5Å; M47-I297 HydrophobicContact CE-CG2 3.77Å; M47-I297 HydrophobicContact CG-CD1 4.4Å; M47-I297 HydrophobicContact CG-CG2 3.88Å; M47-I318 HydrophobicContact SD-CB 4.3Å; M47-I318 HydrophobicContact SD-CG2 3.74Å; M47-E319 HydrophobicContact CE-CB 4.43Å; M47-E319 HydrophobicContact SD-CB 3.83Å; M47-E319 HydrophobicContact SD-CG 4.48Å; M47-A322 HydrophobicContact CB-CB 4.16Å
48L98.8Very high98.7Very high16 Ų1626.3 Ų26.38%0.08412%0.124CC..Hα-helixtrans-63.9-44.6175.5-169.965.7000111.3K44 Q45 R51 L52 L103 P109 A322 T325 V326K44-L48 VanDerWaalsContact O-CB 3.24Å; K44-L48 WeakPolarHBondContact O-CB 3.49Å; K44-L48 PolarHBondContact O-N 3.37Å; Q45-L48 PolarHBondContact O-N 3.37Å; L48-R51 PolarHBondContact O-N 2.96Å; L48-L52 VanDerWaalsContact O-CB 3.28Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.32Å; L48-L103 HydrophobicContact CB-CD2 4.27Å; L48-L103 HydrophobicContact CD2-CD1 4.03Å; L48-L103 HydrophobicContact CD2-CD2 3.93Å; L48-L103 HydrophobicContact CD2-CG 4.38Å; L48-L103 HydrophobicContact CG-CD2 3.84Å; L48-P109 HydrophobicContact CD1-CG 4.45Å; L48-P109 HydrophobicContact CD2-CG 4.39Å; L48-A322 HydrophobicContact CB-CB 4.41Å; L48-A322 HydrophobicContact CD1-CB 4.24Å; L48-T325 HydrophobicContact CD1-CG2 4.09Å; L48-V326 HydrophobicContact CD1-CG2 3.64Å
49V98.9Very high98.7Very high0 Ų023.4 Ų23.40%011%0.111CC..Hα-helixtrans-57.5-53.2171.9173.70000110.5Q45 M46 R51 L52 E53 E76 A100 L103Q45-V49 WeakPolarHBondContact O-CG2 3.43Å; Q45-V49 PolarHBondContact O-N 3.2Å; M46-V49 PolarHBondContact O-N 3.34Å; V49-R51 VanDerWaalsContact C-N 3.25Å; V49-R51 PolarHBondContact O-N 3.39Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 2.91Å; V49-E53 HydrophobicContact CG1-CG 4.2Å; V49-E53 VanDerWaalsContact O-CG 3.26Å; V49-E53 WeakPolarHBondContact O-CG 3.42Å; V49-E53 PolarHBondContact O-N 3.33Å; V49-E76 HydrophobicContact CB-CG 3.93Å; V49-E76 HydrophobicContact CG1-CG 3.65Å; V49-A100 HydrophobicContact CB-CB 4.47Å; V49-A100 HydrophobicContact CG1-CB 3.6Å; V49-A100 HydrophobicContact CG2-CB 3.93Å; V49-L103 HydrophobicContact CG2-CD2 3.76Å
50R98.8Very high98.7Very high49 Ų4925.4 Ų25.419%0.18512%0.118CC..Hα-helixtrans-55-42.9-179.5176.664.458.177.65111.8M46 M47 T54 E76 D295 I297M46-R50 WeakPolarHBondContact O-CB 3.34Å; M46-R50 PolarHBondContact O-N 2.87Å; M47-R50 PolarHBondContact O-N 3.47Å; R50-T54 WeakPolarHBondContact O-CB 3.37Å; R50-T54 PolarHBondContact O-N 3.08Å; R50-T54 PolarHBondContact O-OG1 3.12Å; R50-E76 IonicContact CZ-OE1 2.85Å; R50-E76 VanDerWaalsContact CZ-OE1 3.25Å; R50-E76 IonicContact CZ-OE2 3.52Å; R50-E76 IonicContact NE-OE1 2.74Å; R50-E76 PolarHBondContact NE-OE1 3.49Å; R50-E76 IonicContact NE-OE2 3.73Å; R50-E76 IonicContact NH2-OE1 2.7Å; R50-E76 PolarHBondContact NH2-OE1 2.82Å; R50-E76 IonicContact NH2-OE2 2.98Å; R50-E76 PolarHBondContact NH2-OE2 2.89Å; R50-D295 IonicContact CZ-OD2 3.75Å; R50-D295 VanDerWaalsContact CZ-OD2 3.31Å; R50-D295 IonicContact NH1-OD1 2.63Å; R50-D295 IonicContact NH1-OD2 3.52Å; R50-D295 PolarHBondContact NH1-OD2 2.93Å; R50-D295 IonicContact NH2-OD1 3.2Å; R50-D295 IonicContact NH2-OD2 3.51Å; R50-D295 PolarHBondContact NH2-OD2 3.17Å; R50-I297 HydrophobicContact CB-CD1 3.63Å; R50-I297 HydrophobicContact CG-CD1 4.1Å
51R98.7Very high98.6Very high60 Ų6029.9 Ų29.923%0.22614%0.136CC..Hα-helixtrans-69.9-45.6179.7-175.970.6-168.7155.3-2.9111.7M47 L48 V49 E53 T54 T55 V326 E327M47-R51 WeakPolarHBondContact O-CB 3.18Å; M47-R51 PolarHBondContact O-N 3.5Å; L48-R51 PolarHBondContact O-N 2.96Å; V49-R51 VanDerWaalsContact C-N 3.25Å; V49-R51 PolarHBondContact O-N 3.39Å; R51-E53 VanDerWaalsContact C-N 3.3Å; R51-E53 PolarHBondContact O-N 3.06Å; R51-T54 PolarHBondContact O-N 3.33Å; R51-T55 PolarHBondContact O-N 3.43Å; R51-T55 PolarHBondContact O-OG1 3.16Å; R51-V326 HydrophobicContact CB-CG2 4.07Å; R51-V326 HydrophobicContact CG-CB 3.71Å; R51-V326 HydrophobicContact CG-CG1 4.03Å; R51-V326 HydrophobicContact CG-CG2 3.79Å; R51-E327 IonicContact CZ-OE1 3.76Å; R51-E327 IonicContact NH2-OE1 2.79Å; R51-E327 PolarHBondContact NH2-OE1 3.39Å
52L98.8Very high98.6Very high0 Ų031.7 Ų31.70%015%0.145CC..Hα-helixtrans-53.8-48.5176.3-177.375.5000110.9L48 V49 T55 A56 H99 L103 P109 I112 L113 V326L48-L52 VanDerWaalsContact O-CB 3.28Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.32Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 2.91Å; L52-T55 WeakPolarHBondContact O-CB 3.41Å; L52-T55 PolarHBondContact O-N 3.46Å; L52-A56 PolarHBondContact O-N 3.37Å; L52-H99 HydrophobicContact CD2-CB 4.38Å; L52-L103 HydrophobicContact CD2-CB 4.45Å; L52-L103 HydrophobicContact CD2-CD2 4.22Å; L52-P109 HydrophobicContact CD1-CB 4.19Å; L52-I112 HydrophobicContact CD1-CB 4.45Å; L52-I112 HydrophobicContact CD1-CG2 4.39Å; L52-I112 HydrophobicContact CD2-CB 4.44Å; L52-I112 HydrophobicContact CD2-CD1 3.81Å; L52-I112 HydrophobicContact CD2-CG2 4.03Å; L52-L113 HydrophobicContact CD1-CD1 4.23Å; L52-L113 HydrophobicContact CD1-CD2 3.68Å; L52-L113 HydrophobicContact CD1-CG 3.75Å; L52-V326 HydrophobicContact CB-CG2 4.45Å
53E98.8Very high98.6Very high0 Ų039 Ų390%018%0.177CC..Hα-helixtrans-67.3-37.6179.9-62.9-68.8-168.200112.7V49 R51 T55 A56 S57 L71 Y72 S73 H99V49-E53 HydrophobicContact CG1-CG 4.2Å; V49-E53 VanDerWaalsContact O-CG 3.26Å; V49-E53 WeakPolarHBondContact O-CG 3.42Å; V49-E53 PolarHBondContact O-N 3.33Å; R51-E53 VanDerWaalsContact C-N 3.3Å; R51-E53 PolarHBondContact O-N 3.06Å; E53-T55 VanDerWaalsContact C-N 3.32Å; E53-T55 PolarHBondContact O-N 2.92Å; E53-A56 PolarHBondContact O-N 2.84Å; E53-S57 PolarHBondContact O-N 2.87Å; E53-L71 HydrophobicContact CB-CB 4.48Å; E53-L71 VanDerWaalsContact OE2-CA 3.32Å; E53-L71 WeakPolarHBondContact OE2-CA 3.41Å; E53-L71 WeakPolarHBondContact OE2-CD2 3.4Å; E53-Y72 WeakPolarHBondContact OE1-CB 3.47Å; E53-Y72 PolarHBondContact OE1-N 2.84Å; E53-Y72 PolarHBondContact OE2-N 3.24Å; E53-S73 WeakPolarHBondContact CB-OG 3.34Å; E53-H99 WeakPolarHBondContact OE1-CB 3.44Å; E53-H99 IonicContact OE1-CG 3.72Å; E53-H99 IonicContact OE1-ND1 3.36Å; E53-H99 PolarHBondContact OE1-ND1 2.65Å; E53-H99 IonicContact OE2-CE1 3.97Å; E53-H99 IonicContact OE2-CG 2.68Å; E53-H99 IonicContact OE2-ND1 3.71Å; E53-H99 PolarHBondContact OE2-ND1 3.2Å
54T98.6Very high98.5Very high44 Ų4441.9 Ų41.927%0.2719%0.19SC..Hα-helixtrans-62.1-42.8173.5-59.60000110.9R50 R51 S57 N58R50-T54 WeakPolarHBondContact O-CB 3.37Å; R50-T54 PolarHBondContact O-N 3.08Å; R50-T54 PolarHBondContact O-OG1 3.12Å; R51-T54 PolarHBondContact O-N 3.33Å; T54-S57 WeakPolarHBondContact O-CB 3.49Å; T54-S57 PolarHBondContact O-N 2.95Å; T54-N58 PolarHBondContact O-N 2.72Å; T54-N58 VanDerWaalsContact O-N 3.17Å
55T98.7Very high98.5Very high5 Ų539 Ų393%0.03118%0.178CC..Hα-helixtrans-64.5-47.1175.8-64.50000111.4R51 L52 E53 S57 N58 M59 L113 V326 L330R51-T55 PolarHBondContact O-N 3.43Å; R51-T55 PolarHBondContact O-OG1 3.16Å; L52-T55 WeakPolarHBondContact O-CB 3.41Å; L52-T55 PolarHBondContact O-N 3.46Å; E53-T55 VanDerWaalsContact C-N 3.32Å; E53-T55 PolarHBondContact O-N 2.92Å; T55-S57 VanDerWaalsContact C-N 3.26Å; T55-S57 PolarHBondContact O-N 2.83Å; T55-N58 PolarHBondContact O-N 3.33Å; T55-M59 HydrophobicContact CG2-CG 4.26Å; T55-M59 HydrophobicContact CG2-SD 4.11Å; T55-M59 VanDerWaalsContact O-CG 3.32Å; T55-M59 WeakPolarHBondContact O-CG 3.13Å; T55-M59 PolarHBondContact O-N 3.41Å; T55-L113 HydrophobicContact CG2-CD1 4.26Å; T55-L113 HydrophobicContact CG2-CD2 4.1Å; T55-V326 HydrophobicContact CG2-CG1 4.03Å; T55-V326 VanDerWaalsContact OG1-CG1 3.25Å; T55-V326 WeakPolarHBondContact OG1-CG1 3.42Å; T55-L330 HydrophobicContact CG2-CB 4.39Å; T55-L330 HydrophobicContact CG2-CD1 4.26Å; T55-L330 HydrophobicContact CG2-CD2 3.82Å; T55-L330 HydrophobicContact CG2-CG 4.39Å
56A98.7Very high98.4Very high0 Ų048 Ų480%021%0.21CC..Hα-helixtrans-57.2-38.8175.200000112.3L52 E53 N58 M59 Y60 L71 L116L52-A56 PolarHBondContact O-N 3.37Å; E53-A56 PolarHBondContact O-N 2.84Å; A56-N58 VanDerWaalsContact C-N 3.34Å; A56-N58 PolarHBondContact O-N 3.39Å; A56-M59 PolarHBondContact O-N 2.82Å; A56-Y60 WeakPolarHBondContact O-CB 3.47Å; A56-Y60 PolarHBondContact O-N 3.05Å; A56-L71 HydrophobicContact CB-CD2 3.88Å; A56-L116 HydrophobicContact CB-CD1 3.71Å
57S98.4Very high98.3Very high2 Ų250.5 Ų50.51%0.01424%0.237CC..Hα-helixtrans-58.7-44.7173.3-162.90000112.3E53 T54 T55 K61 M274E53-S57 PolarHBondContact O-N 2.87Å; T54-S57 WeakPolarHBondContact O-CB 3.49Å; T54-S57 PolarHBondContact O-N 2.95Å; T55-S57 VanDerWaalsContact C-N 3.26Å; T55-S57 PolarHBondContact O-N 2.83Å; S57-K61 WeakPolarHBondContact O-CG 3.44Å; S57-K61 PolarHBondContact O-N 3Å; S57-M274 VanDerWaalsContact OG-CE 3.31Å; S57-M274 WeakPolarHBondContact OG-CE 3.4Å
58N98.5Very high98.3Very high64 Ų6455.4 Ų55.434%0.34226%0.258SS..Hα-helixtrans-69-46.1-179.9-67.5-18.2000111.2T54 T55 A56 Y60 K61 E62T54-N58 PolarHBondContact O-N 2.72Å; T54-N58 VanDerWaalsContact O-N 3.17Å; T55-N58 PolarHBondContact O-N 3.33Å; A56-N58 VanDerWaalsContact C-N 3.34Å; A56-N58 PolarHBondContact O-N 3.39Å; N58-Y60 PolarHBondContact O-N 3.43Å; N58-K61 WeakPolarHBondContact O-CB 3.5Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.4Å
59M98.4Very high98.3Very high2 Ų254.6 Ų54.61%0.0125%0.254CS..Hα-helixtrans-56.5-38.8176.6-63.8171.270.700112.1T55 A56 E62 K63 Q64 V65 L113 A117 L330 L334T55-M59 HydrophobicContact CG2-CG 4.26Å; T55-M59 HydrophobicContact CG2-SD 4.11Å; T55-M59 VanDerWaalsContact O-CG 3.32Å; T55-M59 WeakPolarHBondContact O-CG 3.13Å; T55-M59 PolarHBondContact O-N 3.41Å; A56-M59 PolarHBondContact O-N 2.82Å; M59-E62 CarbonylContact O-C 3.56Å; M59-E62 PolarHBondContact O-N 2.95Å; M59-K63 PolarHBondContact O-N 3.5Å; M59-K63 VanDerWaalsContact O-N 3.12Å; M59-Q64 HydrophobicContact CB-CB 4.09Å; M59-Q64 HydrophobicContact CE-CB 4.48Å; M59-Q64 WeakPolarHBondContact O-CB 3.39Å; M59-Q64 PolarHBondContact O-N 3.03Å; M59-V65 HydrophobicContact CB-CG2 3.66Å; M59-V65 HydrophobicContact CE-CG2 3.93Å; M59-V65 PolarHBondContact O-N 3.32Å; M59-V65 HydrophobicContact SD-CG2 4.39Å; M59-L113 HydrophobicContact CE-CB 4.49Å; M59-L113 HydrophobicContact SD-CB 4.41Å; M59-L113 HydrophobicContact SD-CD2 3.68Å; M59-A117 HydrophobicContact CE-CB 3.78Å; M59-L330 HydrophobicContact CE-CD1 3.66Å; M59-L330 HydrophobicContact CG-CD1 3.81Å; M59-L330 HydrophobicContact SD-CD1 3.42Å; M59-L330 WeakPolarHBondContact SD-CD1 3.37Å; M59-L334 HydrophobicContact CE-CD2 4.34Å
60Y98.5Very high98.3Very high41 Ų4154.8 Ų54.816%0.16125%0.254CS..Hα-helixtrans-66-41.7175.9-168-77.3000112.3A56 N58 E62 K63 V65 G67 C69 M274A56-Y60 WeakPolarHBondContact O-CB 3.47Å; A56-Y60 PolarHBondContact O-N 3.05Å; N58-Y60 PolarHBondContact O-N 3.43Å; Y60-E62 VanDerWaalsContact C-N 3.27Å; Y60-E62 PolarHBondContact O-N 3Å; Y60-K63 PolarHBondContact O-N 2.82Å; Y60-K63 VanDerWaalsContact O-N 3.13Å; Y60-V65 HydrophobicContact CD2-CB 4Å; Y60-V65 HydrophobicContact CD2-CG1 3.8Å; Y60-V65 HydrophobicContact CG-CB 4.5Å; Y60-G67 WeakPolarHBondContact CE2-O 3.17Å; Y60-G67 PolarHBondContact OH-O 3.09Å; Y60-G67 VanDerWaalsContact OH-O 3.05Å; Y60-C69 HydrophobicContact CD2-CB 3.53Å; Y60-C69 HydrophobicContact CE2-CB 3.87Å; Y60-C69 HydrophobicContact CG-CB 4.48Å; Y60-M274 HydrophobicContact CD1-CB 3.47Å; Y60-M274 VanDerWaalsContact CD1-CB 3.47Å; Y60-M274 HydrophobicContact CD1-CE 4.1Å; Y60-M274 HydrophobicContact CD1-CG 3.98Å; Y60-M274 HydrophobicContact CD2-CB 3.83Å; Y60-M274 HydrophobicContact CD2-CG 3.94Å; Y60-M274 HydrophobicContact CE1-CB 3.5Å; Y60-M274 HydrophobicContact CE1-CG 4.46Å; Y60-M274 HydrophobicContact CE2-CB 3.86Å; Y60-M274 HydrophobicContact CE2-CG 4.42Å; Y60-M274 HydrophobicContact CG-CB 3.65Å; Y60-M274 HydrophobicContact CG-CE 4.31Å; Y60-M274 HydrophobicContact CG-CG 3.7Å
61K97.7Very high98.2Very high130 Ų13052.5 Ų52.557%0.56525%0.246SC*.Hα-helixtrans-63-38175.3-68.8168.4-171.7167.90111.3S57 N58 K63 M274S57-K61 WeakPolarHBondContact O-CG 3.44Å; S57-K61 PolarHBondContact O-N 3Å; N58-K61 WeakPolarHBondContact O-CB 3.5Å; N58-K61 PolarHBondContact O-N 3.37Å; K61-K63 PolarHBondContact O-N 3.39Å; K61-M274 HydrophobicContact CG-CE 4.26Å
62E97.9Very high98.2Very high122 Ų12249.7 Ų49.757%0.5724%0.235SC*.THydrogen-bonded Turntrans-78.44.2176.1-67.6174.2-16800113.9N58 M59 Y60 Q64N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.4Å; M59-E62 CarbonylContact O-C 3.56Å; M59-E62 PolarHBondContact O-N 2.95Å; Y60-E62 VanDerWaalsContact C-N 3.27Å; Y60-E62 PolarHBondContact O-N 3Å; E62-Q64 HydrophobicContact CB-CG 4.34Å; E62-Q64 PolarHBondContact O-N 3.44Å; E62-Q64 PolarHBondContact OE2-NE2 2.7Å
63K97.8Very high98.2Very high168 Ų16849.7 Ų49.773%0.7324%0.236SC*.THydrogen-bonded Turntrans63.115.2179.4-48.4-57.5-179.5-172.40115.1M59 Y60 K61M59-K63 PolarHBondContact O-N 3.5Å; M59-K63 VanDerWaalsContact O-N 3.12Å; Y60-K63 PolarHBondContact O-N 2.82Å; Y60-K63 VanDerWaalsContact O-N 3.13Å; K61-K63 PolarHBondContact O-N 3.39Å
64Q97.5Very high98.2Very high60 Ų6049.7 Ų49.728%0.2824%0.236SC..SBendtrans-74.3-30.2170.2-63.8170.6-1.600111.3M59 E62 A117M59-Q64 HydrophobicContact CB-CB 4.09Å; M59-Q64 HydrophobicContact CE-CB 4.48Å; M59-Q64 WeakPolarHBondContact O-CB 3.39Å; M59-Q64 PolarHBondContact O-N 3.03Å; E62-Q64 HydrophobicContact CB-CG 4.34Å; E62-Q64 PolarHBondContact O-N 3.44Å; E62-Q64 PolarHBondContact OE2-NE2 2.7Å; Q64-A117 WeakPolarHBondContact O-CA 3.38Å
65V98.3Very high98.3Very high5 Ų547.7 Ų47.73%0.0322%0.223CC..SBendtrans-107.4139.6170.2-177.10000108.8M59 Y60 C69 L116M59-V65 HydrophobicContact CB-CG2 3.66Å; M59-V65 HydrophobicContact CE-CG2 3.93Å; M59-V65 PolarHBondContact O-N 3.32Å; M59-V65 HydrophobicContact SD-CG2 4.39Å; Y60-V65 HydrophobicContact CD2-CB 4Å; Y60-V65 HydrophobicContact CD2-CG1 3.8Å; Y60-V65 HydrophobicContact CG-CB 4.5Å; V65-C69 HydrophobicContact CG1-CB 4.21Å; V65-L116 HydrophobicContact CG1-CB 4.34Å; V65-L116 HydrophobicContact CG2-CB 3.77Å
66R96.1Very high98.3Very high227 Ų22747.4 Ų47.486%0.85722%0.222SC*.  trans-132.2169.3-179.264.6-178.2-153.8130.95.5111.6
67G97.4Very high98.3Very high54 Ų5447.4 Ų47.456%0.55722%0.222SC*.SBendtrans70.9-131.5-179.700000112Y60Y60-G67 WeakPolarHBondContact CE2-O 3.17Å; Y60-G67 PolarHBondContact OH-O 3.09Å; Y60-G67 VanDerWaalsContact OH-O 3.05Å
68F98.2Very high98.3Very high114 Ų11447.3 Ų47.350%0.522%0.221SC..  trans-86.9143.2178.4-69.9-72.1000111.7H70 S130 M131F68-H70 AromaticContact CD1-CE1 3.9Å; F68-H70 AromaticContact CD1-NE2 3.99Å; F68-H70 AromaticContact CG-CE1 3.98Å; F68-S130 WeakPolarHBondContact O-CB 3.42Å; F68-M131 HydrophobicContact CB-CE 4.4Å; F68-M131 HydrophobicContact CB-CG 4.06Å; F68-M131 HydrophobicContact CB-SD 3.85Å; F68-M131 HydrophobicContact CD2-CE 3.6Å; F68-M131 HydrophobicContact CD2-SD 3.79Å; F68-M131 HydrophobicContact CE2-CE 4.28Å; F68-M131 HydrophobicContact CG-CE 4.29Å; F68-M131 HydrophobicContact CG-SD 3.9Å
69C98.6Very high98.3Very high0 Ų044.3 Ų44.30%021%0.205CC..  trans-149.8112.1170-175.20000109Y60 V65 S130 S273 M274Y60-C69 HydrophobicContact CD2-CB 3.53Å; Y60-C69 HydrophobicContact CE2-CB 3.87Å; Y60-C69 HydrophobicContact CG-CB 4.48Å; V65-C69 HydrophobicContact CG1-CB 4.21Å; C69-S130 WeakPolarHBondContact CA-OG 3.3Å; C69-S273 CarbonylContact O-C 3.51Å; C69-S273 VanDerWaalsContact O-CA 3.31Å; C69-S273 WeakPolarHBondContact O-CA 3.28Å; C69-M274 HydrophobicContact CB-CB 4.31Å; C69-M274 HydrophobicContact CB-CG 3.77Å; C69-M274 PolarHBondContact O-N 2.9Å
70H98.8Very high98.3Very high3 Ų344.4 Ų44.41%0.01421%0.206CC..  trans-113.5103.7-174.1-53.194.6000110.1F68 Y96 R97 H272F68-H70 AromaticContact CD1-CE1 3.9Å; F68-H70 AromaticContact CD1-NE2 3.99Å; F68-H70 AromaticContact CG-CE1 3.98Å; H70-Y96 HydrophobicContact CB-CD2 3.99Å; H70-Y96 HydrophobicContact CB-CE2 4.49Å; H70-Y96 AromaticContact CD2-CD2 3.5Å; H70-Y96 AromaticContact CD2-CE2 3.53Å; H70-Y96 AromaticContact CE1-CD2 3.44Å; H70-Y96 VanDerWaalsContact CE1-CD2 3.44Å; H70-Y96 WeakPolarHBondContact CE1-CD2 3.36Å; H70-Y96 AromaticContact CE1-CG 3.82Å; H70-Y96 AromaticContact CG-CD2 3.39Å; H70-Y96 AromaticContact CG-CE2 3.88Å; H70-Y96 AromaticContact ND1-CD2 3.36Å; H70-Y96 WeakPolarHBondContact ND1-CD2 3.45Å; H70-Y96 AromaticContact ND1-CG 3.92Å; H70-Y96 AromaticContact NE2-CD2 3.58Å; H70-Y96 AromaticContact NE2-CE2 3.7Å; H70-R97 HydrophobicContact CB-CB 4.1Å; H70-R97 HydrophobicContact CB-CG 3.92Å; H70-R97 WeakPolarHBondContact O-CG 3.4Å; H70-H272 PolarHBondContact CD2-O 3.4Å; H70-H272 VanDerWaalsContact CD2-O 3.31Å
71L98.7Very high98.4Very high2 Ų242.5 Ų42.51%0.0120%0.198CC..  trans-81.2135.3-172.4-53.9-179.5000112.4E53 A56 R97 F270 M274E53-L71 HydrophobicContact CB-CB 4.48Å; E53-L71 VanDerWaalsContact OE2-CA 3.32Å; E53-L71 WeakPolarHBondContact OE2-CA 3.41Å; E53-L71 WeakPolarHBondContact OE2-CD2 3.4Å; A56-L71 HydrophobicContact CB-CD2 3.88Å; L71-R97 PolarHBondContact O-NH1 2.74Å; L71-F270 HydrophobicContact CB-CB 4.38Å; L71-F270 HydrophobicContact CB-CD2 3.87Å; L71-F270 HydrophobicContact CB-CE2 4.42Å; L71-F270 HydrophobicContact CB-CG 4.19Å; L71-F270 HydrophobicContact CD1-CB 4.41Å; L71-F270 HydrophobicContact CD1-CD1 3.71Å; L71-F270 HydrophobicContact CD1-CD2 3.71Å; L71-F270 HydrophobicContact CD1-CE1 3.77Å; L71-F270 HydrophobicContact CD1-CE2 3.77Å; L71-F270 HydrophobicContact CD1-CG 3.67Å; L71-F270 HydrophobicContact CD1-CZ 3.8Å; L71-F270 HydrophobicContact CG-CD2 4.44Å; L71-F270 HydrophobicContact CG-CG 4.47Å; L71-M274 HydrophobicContact CD1-SD 3.49Å; L71-M274 WeakPolarHBondContact CD1-SD 3.49Å; L71-M274 HydrophobicContact CG-SD 4.07Å
72Y98.8Very high98.4Very high0 Ų036.3 Ų36.30%017%0.171CC..  trans-86.60.4-178.2-152.5-103.6000114.3E53 G74 Q75 V78 A79 R97 A100 W101 E203E53-Y72 WeakPolarHBondContact OE1-CB 3.47Å; E53-Y72 PolarHBondContact OE1-N 2.84Å; E53-Y72 PolarHBondContact OE2-N 3.24Å; Y72-G74 PolarHBondContact O-N 3.35Å; Y72-Q75 HydrophobicContact CD1-CB 3.72Å; Y72-Q75 HydrophobicContact CD2-CB 4.47Å; Y72-Q75 HydrophobicContact CE1-CB 3.57Å; Y72-Q75 WeakPolarHBondContact CE1-O 3.47Å; Y72-Q75 HydrophobicContact CE2-CB 4.3Å; Y72-Q75 HydrophobicContact CG-CB 4.2Å; Y72-Q75 WeakPolarHBondContact O-CB 3.37Å; Y72-Q75 PolarHBondContact O-N 3.01Å; Y72-V78 WeakPolarHBondContact OH-CB 3.45Å; Y72-A79 HydrophobicContact CE1-CB 3.79Å; Y72-R97 HydrophobicContact CD2-CB 4.37Å; Y72-R97 HydrophobicContact CD2-CG 3.72Å; Y72-R97 WeakPolarHBondContact CD2-O 3.49Å; Y72-R97 WeakPolarHBondContact CE2-O 3.34Å; Y72-A100 HydrophobicContact CD1-CB 3.31Å; Y72-A100 HydrophobicContact CD2-CB 4.44Å; Y72-A100 HydrophobicContact CE1-CB 3.71Å; Y72-A100 HydrophobicContact CG-CB 3.72Å; Y72-W101 AromaticContact CZ-NE1 3.77Å; Y72-W101 PolarHBondContact OH-NE1 2.81Å; Y72-W101 VanDerWaalsContact OH-NE1 3.1Å; Y72-E203 VanDerWaalsContact CZ-OE1 3.28Å; Y72-E203 PolarHBondContact OH-OE1 3.22Å
73S98.8Very high98.4Very high1 Ų134 Ų341%0.00716%0.159CC..THydrogen-bonded Turntrans-58.7130.3-174.4-540000113.9E53 E76 Y269E53-S73 WeakPolarHBondContact CB-OG 3.34Å; S73-E76 VanDerWaalsContact CA-OE1 3.23Å; S73-E76 WeakPolarHBondContact CA-OE1 3.48Å; S73-Y269 PolarHBondContact O-N 2.89Å
74G98.8Very high98.5Very high0 Ų027.8 Ų27.80%014%0.139CC..THydrogen-bonded Turntrans100.5-18.1-172.300000113.3Y72 E76 M237 Y267 Y269Y72-G74 PolarHBondContact O-N 3.35Å; G74-E76 VanDerWaalsContact C-OE2 3.25Å; G74-E76 WeakPolarHBondContact CA-OE2 3.44Å; G74-E76 VanDerWaalsContact N-CD 3.34Å; G74-E76 PolarHBondContact N-OE1 2.94Å; G74-E76 VanDerWaalsContact N-OE1 3.14Å; G74-E76 PolarHBondContact N-OE2 3.08Å; G74-M237 WeakPolarHBondContact O-CE 3.43Å; G74-Y267 CarbonylContact C-O 3.45Å; G74-Y267 VanDerWaalsContact CA-O 3.31Å; G74-Y267 WeakPolarHBondContact CA-O 3.28Å; G74-Y267 VanDerWaalsContact O-O 3.1Å; G74-Y269 VanDerWaalsContact CA-CE2 3.43Å
75Q98.9Very high98.5Very high1 Ų125.3 Ų25.31%0.00513%0.13CC..  trans-104.211.8179.4-56.7-175.2-154.300113.1Y72 A77 V78 E203 N205 T266 Y267Y72-Q75 HydrophobicContact CD1-CB 3.72Å; Y72-Q75 HydrophobicContact CD2-CB 4.47Å; Y72-Q75 HydrophobicContact CE1-CB 3.57Å; Y72-Q75 WeakPolarHBondContact CE1-O 3.47Å; Y72-Q75 HydrophobicContact CE2-CB 4.3Å; Y72-Q75 HydrophobicContact CG-CB 4.2Å; Y72-Q75 WeakPolarHBondContact O-CB 3.37Å; Y72-Q75 PolarHBondContact O-N 3.01Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-A77 PolarHBondContact O-N 2.87Å; Q75-A77 VanDerWaalsContact O-N 3.16Å; Q75-V78 HydrophobicContact CB-CG2 4.32Å; Q75-V78 VanDerWaalsContact O-CB 3.31Å; Q75-V78 WeakPolarHBondContact O-CB 3.46Å; Q75-V78 WeakPolarHBondContact O-CG2 3.47Å; Q75-V78 PolarHBondContact O-N 2.87Å; Q75-E203 PolarHBondContact NE2-OE1 2.87Å; Q75-E203 VanDerWaalsContact NE2-OE1 3.12Å; Q75-N205 PolarHBondContact OE1-ND2 3.11Å; Q75-T266 WeakPolarHBondContact CA-OG1 3.2Å; Q75-T266 HydrophobicContact CB-CG2 4.38Å; Q75-T266 HydrophobicContact CG-CG2 3.76Å; Q75-Y267 WeakPolarHBondContact CG-O 3.49Å
76E98.9Very high98.5Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-57.4-37.4-169.7-6585.7174.400113.8M46 V49 R50 S73 G74 V78 A79 V80 P296M46-E76 HydrophobicContact CB-CB 3.88Å; M46-E76 HydrophobicContact CG-CB 3.88Å; M46-E76 HydrophobicContact SD-CB 4.37Å; V49-E76 HydrophobicContact CB-CG 3.93Å; V49-E76 HydrophobicContact CG1-CG 3.65Å; R50-E76 IonicContact CZ-OE1 2.85Å; R50-E76 VanDerWaalsContact CZ-OE1 3.25Å; R50-E76 IonicContact CZ-OE2 3.52Å; R50-E76 IonicContact NE-OE1 2.74Å; R50-E76 PolarHBondContact NE-OE1 3.49Å; R50-E76 IonicContact NE-OE2 3.73Å; R50-E76 IonicContact NH2-OE1 2.7Å; R50-E76 PolarHBondContact NH2-OE1 2.82Å; R50-E76 IonicContact NH2-OE2 2.98Å; R50-E76 PolarHBondContact NH2-OE2 2.89Å; S73-E76 VanDerWaalsContact CA-OE1 3.23Å; S73-E76 WeakPolarHBondContact CA-OE1 3.48Å; G74-E76 VanDerWaalsContact C-OE2 3.25Å; G74-E76 WeakPolarHBondContact CA-OE2 3.44Å; G74-E76 VanDerWaalsContact N-CD 3.34Å; G74-E76 PolarHBondContact N-OE1 2.94Å; G74-E76 VanDerWaalsContact N-OE1 3.14Å; G74-E76 PolarHBondContact N-OE2 3.08Å; E76-V78 PolarHBondContact O-N 2.96Å; E76-A79 PolarHBondContact O-N 2.92Å; E76-V80 WeakPolarHBondContact O-CB 3.19Å; E76-V80 WeakPolarHBondContact O-CG2 3.32Å; E76-V80 PolarHBondContact O-N 3.24Å; E76-V80 VanDerWaalsContact O-N 3.1Å; E76-P296 HydrophobicContact CB-CG 4.37Å; E76-P296 WeakPolarHBondContact OE2-CG 3.36Å
77A98.9Very high98.6Very high0 Ų019.5 Ų19.50%011%0.113CC..Hα-helixtrans-59.3-27.4177.200000112.9M46 Q75 G81 V239 V242 P296M46-A77 HydrophobicContact SD-CB 4.37Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-A77 PolarHBondContact O-N 2.87Å; Q75-A77 VanDerWaalsContact O-N 3.16Å; A77-G81 VanDerWaalsContact O-CA 3.29Å; A77-G81 WeakPolarHBondContact O-CA 3.36Å; A77-G81 PolarHBondContact O-N 3.46Å; A77-V239 HydrophobicContact CB-CB 4.03Å; A77-V242 WeakPolarHBondContact O-CG1 3.39Å; A77-P296 HydrophobicContact CB-CB 3.54Å; A77-P296 HydrophobicContact CB-CG 4.47Å
78V98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-66.4-63.8178-1740000110Y72 Q75 E76 V80 M82 W101 E203 A236 M264 T266Y72-V78 WeakPolarHBondContact OH-CB 3.45Å; Q75-V78 HydrophobicContact CB-CG2 4.32Å; Q75-V78 VanDerWaalsContact O-CB 3.31Å; Q75-V78 WeakPolarHBondContact O-CB 3.46Å; Q75-V78 WeakPolarHBondContact O-CG2 3.47Å; Q75-V78 PolarHBondContact O-N 2.87Å; E76-V78 PolarHBondContact O-N 2.96Å; V78-V80 PolarHBondContact O-N 2.97Å; V78-M82 HydrophobicContact CG1-CG 4.44Å; V78-M82 HydrophobicContact CG1-SD 3.84Å; V78-M82 WeakPolarHBondContact O-CB 3.31Å; V78-M82 WeakPolarHBondContact O-CG 3.3Å; V78-M82 PolarHBondContact O-N 3.47Å; V78-W101 HydrophobicContact CG1-CZ2 4.42Å; V78-E203 HydrophobicContact CG1-CG 4.27Å; V78-E203 WeakPolarHBondContact CG1-OE1 3.32Å; V78-A236 HydrophobicContact CG2-CB 3.9Å; V78-M264 HydrophobicContact CG1-CB 4.33Å; V78-M264 HydrophobicContact CG1-CG 4.2Å; V78-M264 HydrophobicContact CG2-CB 4.44Å; V78-T266 HydrophobicContact CG2-CG2 4.04Å
79A98.7Very high98.5Very high0 Ų020.4 Ų20.40%012%0.116CC..Hα-helixtrans-63-44.6-175.900000112.1Y72 E76 K83 A100 W101 N104Y72-A79 HydrophobicContact CE1-CB 3.79Å; E76-A79 PolarHBondContact O-N 2.92Å; A79-K83 VanDerWaalsContact O-CB 3.28Å; A79-K83 WeakPolarHBondContact O-CB 3.43Å; A79-K83 PolarHBondContact O-N 2.71Å; A79-A100 HydrophobicContact CB-CB 3.81Å; A79-W101 HydrophobicContact CB-CD2 4.11Å; A79-W101 HydrophobicContact CB-CG 4.43Å; A79-W101 HydrophobicContact CB-CZ2 4.28Å; A79-N104 WeakPolarHBondContact CB-OD1 3.27Å
80V98.9Very high98.5Very high5 Ų520.5 Ų20.53%0.0312%0.117CC..Hα-helixtrans-69.2-47.9-179.2177.70000111.3Y42 Q45 M46 E76 V78 K83 A84 V239Y42-V80 HydrophobicContact CD1-CG1 4.38Å; Q45-V80 HydrophobicContact CB-CB 4.43Å; Q45-V80 HydrophobicContact CB-CG1 3.8Å; Q45-V80 HydrophobicContact CB-CG2 3.72Å; M46-V80 HydrophobicContact CB-CG2 4.44Å; M46-V80 HydrophobicContact CG-CB 3.83Å; M46-V80 HydrophobicContact CG-CG1 4Å; M46-V80 HydrophobicContact CG-CG2 3.65Å; E76-V80 WeakPolarHBondContact O-CB 3.19Å; E76-V80 WeakPolarHBondContact O-CG2 3.32Å; E76-V80 PolarHBondContact O-N 3.24Å; E76-V80 VanDerWaalsContact O-N 3.1Å; V78-V80 PolarHBondContact O-N 2.97Å; V80-K83 PolarHBondContact O-N 2.84Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 2.88Å; V80-V239 HydrophobicContact CB-CG2 4.44Å; V80-V239 HydrophobicContact CG1-CG2 4.2Å
81G98.9Very high98.5Very high0 Ų020.4 Ų20.40%012%0.116CC..Hα-helixtrans-65.3-41.9-179.400000111.7A77 A84 G85 R243A77-G81 VanDerWaalsContact O-CA 3.29Å; A77-G81 WeakPolarHBondContact O-CA 3.36Å; A77-G81 PolarHBondContact O-N 3.46Å; G81-A84 PolarHBondContact O-N 2.92Å; G81-G85 PolarHBondContact O-N 3.16Å; G81-G85 VanDerWaalsContact O-N 3.1Å; G81-R243 WeakPolarHBondContact O-CA 3.29Å
82M98.9Very high98.5Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-63.7-47.8176-73.5-174.967.100110.7V78 A84 G85 M86 W101 F171 L173 V201 V242 T246 M264V78-M82 HydrophobicContact CG1-CG 4.44Å; V78-M82 HydrophobicContact CG1-SD 3.84Å; V78-M82 WeakPolarHBondContact O-CB 3.31Å; V78-M82 WeakPolarHBondContact O-CG 3.3Å; V78-M82 PolarHBondContact O-N 3.47Å; M82-A84 PolarHBondContact O-N 3.48Å; M82-G85 CarbonylContact O-C 3.49Å; M82-G85 PolarHBondContact O-N 3.49Å; M82-M86 VanDerWaalsContact O-CG 3.27Å; M82-M86 WeakPolarHBondContact O-CG 3.3Å; M82-M86 PolarHBondContact O-N 2.78Å; M82-W101 HydrophobicContact CB-CH2 3.53Å; M82-W101 HydrophobicContact CB-CZ2 4.31Å; M82-W101 HydrophobicContact CB-CZ3 4.34Å; M82-W101 HydrophobicContact CE-CH2 3.79Å; M82-W101 HydrophobicContact CE-CZ2 4.25Å; M82-W101 HydrophobicContact CG-CH2 4.09Å; M82-W101 HydrophobicContact CG-CZ2 4.48Å; M82-W101 HydrophobicContact SD-CH2 3.55Å; M82-W101 VanDerWaalsContact SD-CH2 3.55Å; M82-W101 HydrophobicContact SD-CZ2 3.59Å; M82-W101 VanDerWaalsContact SD-CZ2 3.59Å; M82-F171 HydrophobicContact CE-CB 4.02Å; M82-F171 HydrophobicContact CE-CD1 3.69Å; M82-F171 HydrophobicContact CE-CG 4.07Å; M82-L173 HydrophobicContact CE-CD1 4.45Å; M82-L173 HydrophobicContact CE-CD2 4.44Å; M82-L173 HydrophobicContact SD-CD2 4.11Å; M82-V201 HydrophobicContact CE-CB 4.47Å; M82-V201 HydrophobicContact CE-CG1 4.19Å; M82-V201 HydrophobicContact CE-CG2 3.85Å; M82-V201 HydrophobicContact SD-CG1 4.08Å; M82-V242 HydrophobicContact CB-CG1 4.33Å; M82-V242 HydrophobicContact CG-CG1 3.56Å; M82-V242 VanDerWaalsContact N-CG1 3.35Å; M82-T246 HydrophobicContact CB-CG2 4.16Å; M82-T246 HydrophobicContact CG-CG2 4.34Å; M82-T246 WeakPolarHBondContact CG-OG1 3.44Å; M82-T246 WeakPolarHBondContact O-CG2 3.48Å; M82-M264 HydrophobicContact CG-CE 3.85Å; M82-M264 HydrophobicContact SD-CE 3.93Å
83K98.5Very high98.6Very high74 Ų7420.7 Ų20.732%0.32212%0.118SC..Hα-helixtrans-57.6-38.4178.3-176.161.1179.9174.20112.1A79 V80 G85 M86 N104A79-K83 VanDerWaalsContact O-CB 3.28Å; A79-K83 WeakPolarHBondContact O-CB 3.43Å; A79-K83 PolarHBondContact O-N 2.71Å; V80-K83 PolarHBondContact O-N 2.84Å; K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 2.86Å; K83-M86 PolarHBondContact O-N 2.95Å; K83-N104 HydrophobicContact CB-CB 4.23Å; K83-N104 VanDerWaalsContact CE-O 3.25Å; K83-N104 WeakPolarHBondContact CE-O 3.42Å; K83-N104 HydrophobicContact CG-CB 4.24Å
84A98.6Very high98.6Very high37 Ų3720.7 Ų20.731%0.30612%0.118SC..Hα-helixtrans-69.3-23175.900000114.2Y42 V80 G81 M82 R243Y42-A84 HydrophobicContact CD1-CB 4.25Å; Y42-A84 HydrophobicContact CE1-CB 3.44Å; Y42-A84 VanDerWaalsContact CE1-CB 3.44Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 2.88Å; G81-A84 PolarHBondContact O-N 2.92Å; M82-A84 PolarHBondContact O-N 3.48Å; A84-R243 HydrophobicContact CB-CG 3.9Å
85G98.5Very high98.6Very high9 Ų921.4 Ų21.49%0.09312%0.124CC..Hα-helixtrans-96.3-10.2177.700000114.5G81 M82 K83 Q247G81-G85 PolarHBondContact O-N 3.16Å; G81-G85 VanDerWaalsContact O-N 3.1Å; M82-G85 CarbonylContact O-C 3.49Å; M82-G85 PolarHBondContact O-N 3.49Å; K83-G85 VanDerWaalsContact C-N 3.3Å; K83-G85 PolarHBondContact O-N 2.86Å; G85-Q247 VanDerWaalsContact O-CA 3.28Å; G85-Q247 WeakPolarHBondContact O-CA 3.23Å; G85-Q247 PolarHBondContact O-N 2.81Å
86M98.6Very high98.6Very high25 Ų2523.3 Ų23.312%0.12313%0.131CC..SBendtrans-78.2151.9176.9-73.5170.266.800111.6M82 K83 D90 V92 F171 T246M82-M86 VanDerWaalsContact O-CG 3.27Å; M82-M86 WeakPolarHBondContact O-CG 3.3Å; M82-M86 PolarHBondContact O-N 2.78Å; K83-M86 PolarHBondContact O-N 2.95Å; M86-D90 HydrophobicContact CB-CB 4.31Å; M86-D90 HydrophobicContact CE-CB 3.7Å; M86-V92 HydrophobicContact CE-CG2 3.52Å; M86-V92 HydrophobicContact SD-CG2 3.6Å; M86-F171 HydrophobicContact CE-CD2 4.01Å; M86-F171 HydrophobicContact CE-CE2 4.34Å; M86-F171 HydrophobicContact CG-CD2 3.97Å; M86-F171 HydrophobicContact CG-CE2 3.61Å; M86-F171 HydrophobicContact CG-CZ 4.09Å; M86-F171 HydrophobicContact SD-CD2 4.16Å; M86-F171 HydrophobicContact SD-CE2 4.4Å; M86-T246 HydrophobicContact CG-CG2 4.03Å
87Q97.9Very high98.5Very high85 Ų8524.1 Ų24.140%0.39713%0.134SC..PPolyproline II helixtrans-91.1161.8169.6-65.4-169.7-2.500111.5G89 D90 E251 R254Q87-G89 PolarHBondContact O-N 2.93Å; Q87-D90 PolarHBondContact N-OD2 2.82Å; Q87-D90 VanDerWaalsContact O-CB 3.27Å; Q87-D90 WeakPolarHBondContact O-CB 3.25Å; Q87-D90 PolarHBondContact O-N 3.07Å; Q87-D90 VanDerWaalsContact O-N 3.11Å; Q87-E251 PolarHBondContact NE2-OE1 3.27Å; Q87-R254 VanDerWaalsContact CD-CZ 3.45Å
88D96.4Very high98.5Very high159 Ų15924.1 Ų24.185%0.8513%0.134SC*.THydrogen-bonded Turntrans-57.5135.3171.8-73.2-20.3000111.3D90 N168D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 3.09Å; D88-N168 PolarHBondContact O-ND2 3.25Å
89G97.5Very high98.5Very high27 Ų2724.1 Ų24.128%0.27813%0.134SC..THydrogen-bonded Turntrans84.8-15.8-176.600000114.9Q87 N139 Y161 N168Q87-G89 PolarHBondContact O-N 2.93Å; G89-N139 WeakPolarHBondContact CA-ND2 3.44Å; G89-Y161 PolarHBondContact O-OH 2.98Å; G89-N168 VanDerWaalsContact CA-ND2 3.28Å; G89-N168 WeakPolarHBondContact CA-ND2 3.2Å; G89-N168 PolarHBondContact O-ND2 3.45Å
90D98.7Very high98.5Very high3 Ų324.1 Ų24.12%0.01613%0.134CC..  trans-60.5148.6168.9-69.6-17.5000109.8M86 Q87 D88 N139 N168 V169 F171 R254M86-D90 HydrophobicContact CB-CB 4.31Å; M86-D90 HydrophobicContact CE-CB 3.7Å; Q87-D90 PolarHBondContact N-OD2 2.82Å; Q87-D90 VanDerWaalsContact O-CB 3.27Å; Q87-D90 WeakPolarHBondContact O-CB 3.25Å; Q87-D90 PolarHBondContact O-N 3.07Å; Q87-D90 VanDerWaalsContact O-N 3.11Å; D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 3.09Å; D90-N139 WeakPolarHBondContact O-CB 3.48Å; D90-N168 PolarHBondContact N-ND2 3.23Å; D90-N168 WeakPolarHBondContact OD1-CA 3.43Å; D90-V169 WeakPolarHBondContact CA-O 3.42Å; D90-V169 WeakPolarHBondContact CB-O 3.44Å; D90-V169 PolarHBondContact OD1-N 3.06Å; D90-F171 HydrophobicContact CB-CE2 4.17Å; D90-R254 IonicContact OD1-NH2 2.79Å; D90-R254 IonicContact OD2-NH2 3.58Å; D90-R254 PolarHBondContact OD2-NH2 3.46Å; D90-R254 VanDerWaalsContact OD2-NH2 3.11Å
91S98.8Very high98.5Very high0 Ų023.9 Ų23.90%013%0.133CC..EExtended strand (participates in β ladder)trans-119.8155.8-175.849.70000113.5N139 Y141 I157 Y161 V169 N170 F171S91-N139 VanDerWaalsContact CA-O 3.28Å; S91-N139 WeakPolarHBondContact CA-O 3.41Å; S91-N139 VanDerWaalsContact CB-O 3.27Å; S91-N139 WeakPolarHBondContact CB-O 3.4Å; S91-Y141 VanDerWaalsContact CB-CE2 3.42Å; S91-I157 WeakPolarHBondContact OG-CG2 3.41Å; S91-Y161 WeakPolarHBondContact CB-OH 3.48Å; S91-Y161 PolarHBondContact N-OH 3.37Å; S91-Y161 WeakPolarHBondContact OG-CE2 3.45Å; S91-Y161 PolarHBondContact OG-OH 3.1Å; S91-V169 PolarHBondContact N-O 3.11Å; S91-N170 PolarHBondContact OG-ND2 3.29Å; S91-F171 PolarHBondContact O-N 3.02Å
92V98.8Very high98.5Very high4 Ų423.9 Ų23.92%0.02413%0.133CC..EExtended strand (participates in β ladder)trans-126.6138.9175.1167.20000110M86 W101 N139 F140 Y141 F171 L173M86-V92 HydrophobicContact CE-CG2 3.52Å; M86-V92 HydrophobicContact SD-CG2 3.6Å; V92-W101 HydrophobicContact CB-CE3 4.2Å; V92-W101 HydrophobicContact CB-CZ3 4.18Å; V92-W101 HydrophobicContact CG1-CD2 3.94Å; V92-W101 HydrophobicContact CG1-CE3 3.58Å; V92-W101 HydrophobicContact CG1-CH2 4.38Å; V92-W101 HydrophobicContact CG1-CZ3 3.82Å; V92-W101 HydrophobicContact CG2-CE3 4.01Å; V92-W101 HydrophobicContact CG2-CH2 4.13Å; V92-W101 HydrophobicContact CG2-CZ3 3.49Å; V92-W101 VanDerWaalsContact CG2-CZ3 3.49Å; V92-N139 PolarHBondContact N-O 3.22Å; V92-F140 HydrophobicContact CB-CD2 4.29Å; V92-F140 HydrophobicContact CG1-CD2 4.02Å; V92-F140 HydrophobicContact CG1-CE2 4.18Å; V92-Y141 PolarHBondContact O-N 2.65Å; V92-F171 HydrophobicContact CG2-CB 4.1Å; V92-L173 HydrophobicContact CG1-CD1 3.55Å
93I98.9Very high98.5Very high4 Ų424.5 Ų24.52%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-132.4138.8161.6-163.1177.5000109Q150 L153 F171 A172 L173I93-Q150 HydrophobicContact CD1-CB 4Å; I93-Q150 HydrophobicContact CG1-CB 4.02Å; I93-Q150 HydrophobicContact CG2-CB 4.49Å; I93-Q150 WeakPolarHBondContact CG2-O 3.27Å; I93-L153 HydrophobicContact CD1-CB 3.66Å; I93-L153 HydrophobicContact CD1-CD1 4.16Å; I93-F171 PolarHBondContact N-O 2.91Å; I93-F171 VanDerWaalsContact N-O 3.12Å; I93-A172 HydrophobicContact CG2-CB 4.27Å; I93-L173 WeakPolarHBondContact O-CD1 3.49Å; I93-L173 PolarHBondContact O-N 3.1Å
94T98.9Very high98.5Very high2 Ų221.7 Ų21.71%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-140.5179.3-178-1680000111.7C98 W101 F140 G142 C144 L173T94-C98 HydrophobicContact CG2-CB 3.56Å; T94-W101 HydrophobicContact CG2-CB 4.25Å; T94-W101 HydrophobicContact CG2-CG 4.08Å; T94-F140 HydrophobicContact CG2-CE2 3.97Å; T94-F140 HydrophobicContact CG2-CZ 4.24Å; T94-G142 PolarHBondContact N-O 2.8Å; T94-G142 VanDerWaalsContact N-O 3.1Å; T94-G142 VanDerWaalsContact O-O 3.1Å; T94-C144 PolarHBondContact O-N 2.79Å; T94-L173 WeakPolarHBondContact OG1-CB 3.43Å
95A98.7Very high98.4Very high15 Ų1520.5 Ų20.512%0.12411%0.114CC..EExtended strand (participates in β ladder)trans-79.6-163175.300000111.3R97 C98 G143 C144A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.49Å; A95-C98 WeakPolarHBondContact O-CB 3.42Å; A95-G143 WeakPolarHBondContact O-CA 3.48Å; A95-C144 CarbonylContact C-O 3.53Å; A95-C144 VanDerWaalsContact C-O 3.32Å; A95-C144 VanDerWaalsContact CA-O 3.29Å; A95-C144 WeakPolarHBondContact CA-O 3.45Å
96Y98.7Very high98.4Very high41 Ų4121.7 Ų21.716%0.16113%0.126CC..SBendtrans-69.7-14.8-176.747.1-102.3000115.7H70 C98 C144 V147 H272H70-Y96 HydrophobicContact CB-CD2 3.99Å; H70-Y96 HydrophobicContact CB-CE2 4.49Å; H70-Y96 AromaticContact CD2-CD2 3.5Å; H70-Y96 AromaticContact CD2-CE2 3.53Å; H70-Y96 AromaticContact CE1-CD2 3.44Å; H70-Y96 VanDerWaalsContact CE1-CD2 3.44Å; H70-Y96 WeakPolarHBondContact CE1-CD2 3.36Å; H70-Y96 AromaticContact CE1-CG 3.82Å; H70-Y96 AromaticContact CG-CD2 3.39Å; H70-Y96 AromaticContact CG-CE2 3.88Å; H70-Y96 AromaticContact ND1-CD2 3.36Å; H70-Y96 WeakPolarHBondContact ND1-CD2 3.45Å; H70-Y96 AromaticContact ND1-CG 3.92Å; H70-Y96 AromaticContact NE2-CD2 3.58Å; H70-Y96 AromaticContact NE2-CE2 3.7Å; Y96-C98 VanDerWaalsContact C-N 3.29Å; Y96-C98 PolarHBondContact O-N 3.27Å; Y96-C98 VanDerWaalsContact O-N 3.1Å; Y96-C144 PolarHBondContact N-O 3.07Å; Y96-V147 HydrophobicContact CE1-CG2 4.21Å; Y96-H272 AromaticContact CE2-CE1 3.95Å; Y96-H272 AromaticContact CZ-CE1 3.8Å; Y96-H272 PolarHBondContact OH-CE1 2.85Å
97R98.8Very high98.4Very high16 Ų1620.5 Ų20.56%0.0612%0.12CC..  trans-88.168.1179.6-160.1-165.4-68.7-68.2-15.2110.2H70 L71 Y72 A95 H272H70-R97 HydrophobicContact CB-CB 4.1Å; H70-R97 HydrophobicContact CB-CG 3.92Å; H70-R97 WeakPolarHBondContact O-CG 3.4Å; L71-R97 PolarHBondContact O-NH1 2.74Å; Y72-R97 HydrophobicContact CD2-CB 4.37Å; Y72-R97 HydrophobicContact CD2-CG 3.72Å; Y72-R97 WeakPolarHBondContact CD2-O 3.49Å; Y72-R97 WeakPolarHBondContact CE2-O 3.34Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.49Å; R97-H272 PolarHBondContact NH1-O 2.9Å; R97-H272 PolarHBondContact NH2-O 3.2Å
98C98.7Very high98.4Very high0 Ų019.5 Ų19.50%012%0.12CC..  trans-123.37.8-157.963.80000116T94 A95 Y96 A100 W101 A102 F140T94-C98 HydrophobicContact CG2-CB 3.56Å; A95-C98 WeakPolarHBondContact O-CB 3.42Å; Y96-C98 VanDerWaalsContact C-N 3.29Å; Y96-C98 PolarHBondContact O-N 3.27Å; Y96-C98 VanDerWaalsContact O-N 3.1Å; C98-A100 VanDerWaalsContact C-N 3.35Å; C98-A100 PolarHBondContact O-N 3.21Å; C98-W101 PolarHBondContact O-N 3.27Å; C98-A102 PolarHBondContact O-N 3.43Å; C98-F140 HydrophobicContact CB-CZ 4.06Å
99H98.8Very high98.5Very high0 Ų012.8 Ų12.80%09%0.085CC..Hα-helixtrans-61.9-42.8-177.3-44.9153000112.1L52 E53 W101 A102 L103 I112 S130 F133L52-H99 HydrophobicContact CD2-CB 4.38Å; E53-H99 WeakPolarHBondContact OE1-CB 3.44Å; E53-H99 IonicContact OE1-CG 3.72Å; E53-H99 IonicContact OE1-ND1 3.36Å; E53-H99 PolarHBondContact OE1-ND1 2.65Å; E53-H99 IonicContact OE2-CE1 3.97Å; E53-H99 IonicContact OE2-CG 2.68Å; E53-H99 IonicContact OE2-ND1 3.71Å; E53-H99 PolarHBondContact OE2-ND1 3.2Å; H99-W101 VanDerWaalsContact C-N 3.34Å; H99-W101 PolarHBondContact O-N 3.1Å; H99-A102 PolarHBondContact O-N 3.07Å; H99-L103 WeakPolarHBondContact O-CB 3.08Å; H99-L103 PolarHBondContact O-N 3.21Å; H99-I112 HydrophobicContact CB-CG2 4.39Å; H99-S130 PolarHBondContact NE2-OG 2.89Å; H99-F133 AromaticContact CD2-CE2 3.51Å
100A98.8Very high98.5Very high0 Ų014.3 Ų14.30%08%0.084CC..Hα-helixtrans-60.5-43.5175.500000111.9V49 Y72 A79 C98 L103 N104V49-A100 HydrophobicContact CB-CB 4.47Å; V49-A100 HydrophobicContact CG1-CB 3.6Å; V49-A100 HydrophobicContact CG2-CB 3.93Å; Y72-A100 HydrophobicContact CD1-CB 3.31Å; Y72-A100 HydrophobicContact CD2-CB 4.44Å; Y72-A100 HydrophobicContact CE1-CB 3.71Å; Y72-A100 HydrophobicContact CG-CB 3.72Å; A79-A100 HydrophobicContact CB-CB 3.81Å; C98-A100 VanDerWaalsContact C-N 3.35Å; C98-A100 PolarHBondContact O-N 3.21Å; A100-L103 PolarHBondContact O-N 2.85Å; A100-N104 WeakPolarHBondContact O-CB 3.38Å; A100-N104 PolarHBondContact O-N 2.78Å; A100-N104 PolarHBondContact O-OD1 3.49Å; A100-N104 VanDerWaalsContact O-OD1 3.08Å
101W98.7Very high98.5Very high1 Ų117.1 Ų17.10%0.00410%0.097CC..Hα-helixtrans-63.2-42.7176.1-76.2104.4000112.7Y72 V78 A79 M82 V92 T94 C98 H99 S105 F140 L173Y72-W101 AromaticContact CZ-NE1 3.77Å; Y72-W101 PolarHBondContact OH-NE1 2.81Å; Y72-W101 VanDerWaalsContact OH-NE1 3.1Å; V78-W101 HydrophobicContact CG1-CZ2 4.42Å; A79-W101 HydrophobicContact CB-CD2 4.11Å; A79-W101 HydrophobicContact CB-CG 4.43Å; A79-W101 HydrophobicContact CB-CZ2 4.28Å; M82-W101 HydrophobicContact CB-CH2 3.53Å; M82-W101 HydrophobicContact CB-CZ2 4.31Å; M82-W101 HydrophobicContact CB-CZ3 4.34Å; M82-W101 HydrophobicContact CE-CH2 3.79Å; M82-W101 HydrophobicContact CE-CZ2 4.25Å; M82-W101 HydrophobicContact CG-CH2 4.09Å; M82-W101 HydrophobicContact CG-CZ2 4.48Å; M82-W101 HydrophobicContact SD-CH2 3.55Å; M82-W101 VanDerWaalsContact SD-CH2 3.55Å; M82-W101 HydrophobicContact SD-CZ2 3.59Å; M82-W101 VanDerWaalsContact SD-CZ2 3.59Å; V92-W101 HydrophobicContact CB-CE3 4.2Å; V92-W101 HydrophobicContact CB-CZ3 4.18Å; V92-W101 HydrophobicContact CG1-CD2 3.94Å; V92-W101 HydrophobicContact CG1-CE3 3.58Å; V92-W101 HydrophobicContact CG1-CH2 4.38Å; V92-W101 HydrophobicContact CG1-CZ3 3.82Å; V92-W101 HydrophobicContact CG2-CE3 4.01Å; V92-W101 HydrophobicContact CG2-CH2 4.13Å; V92-W101 HydrophobicContact CG2-CZ3 3.49Å; V92-W101 VanDerWaalsContact CG2-CZ3 3.49Å; T94-W101 HydrophobicContact CG2-CB 4.25Å; T94-W101 HydrophobicContact CG2-CG 4.08Å; C98-W101 PolarHBondContact O-N 3.27Å; H99-W101 VanDerWaalsContact C-N 3.34Å; H99-W101 PolarHBondContact O-N 3.1Å; W101-S105 WeakPolarHBondContact O-CB 3.42Å; W101-S105 PolarHBondContact O-N 3.39Å; W101-S105 PolarHBondContact O-OG 2.91Å; W101-F140 HydrophobicContact CB-CD2 4.42Å; W101-F140 HydrophobicContact CB-CE2 3.74Å; W101-F140 HydrophobicContact CB-CZ 3.9Å; W101-L173 HydrophobicContact CH2-CD1 4.3Å; W101-L173 HydrophobicContact CH2-CD2 4.17Å; W101-L173 HydrophobicContact CZ2-CD1 4.07Å; W101-L173 HydrophobicContact CZ2-CD2 3.27Å; W101-L173 HydrophobicContact CZ2-CG 4.32Å
102A98.6Very high98.5Very high0 Ų017.1 Ų17.10%010%0.097CC..Hα-helixtrans-59.5-47.917400000110.8C98 H99 S105 G106 V107 I112 F133 F140C98-A102 PolarHBondContact O-N 3.43Å; H99-A102 PolarHBondContact O-N 3.07Å; A102-S105 PolarHBondContact O-N 3.11Å; A102-G106 PolarHBondContact O-N 3.42Å; A102-V107 HydrophobicContact CB-CB 4.17Å; A102-V107 HydrophobicContact CB-CG2 4Å; A102-V107 WeakPolarHBondContact O-CB 3.32Å; A102-V107 WeakPolarHBondContact O-CG2 3.37Å; A102-V107 PolarHBondContact O-N 3.14Å; A102-I112 HydrophobicContact CB-CD1 4.11Å; A102-I112 HydrophobicContact CB-CG1 4.36Å; A102-F133 HydrophobicContact CB-CB 3.79Å; A102-F133 HydrophobicContact CB-CD1 4.12Å; A102-F133 HydrophobicContact CB-CG 3.98Å; A102-F140 HydrophobicContact CB-CD1 4.46Å; A102-F140 HydrophobicContact CB-CE1 3.93Å
103L98.7Very high98.5Very high13 Ų1316.9 Ų16.97%0.06810%0.096CC..Hα-helixtrans-60.2-53.6179.1-17866.8000111.8L48 V49 L52 H99 A100 S105 G106 V107 P109 I112L48-L103 HydrophobicContact CB-CD2 4.27Å; L48-L103 HydrophobicContact CD2-CD1 4.03Å; L48-L103 HydrophobicContact CD2-CD2 3.93Å; L48-L103 HydrophobicContact CD2-CG 4.38Å; L48-L103 HydrophobicContact CG-CD2 3.84Å; V49-L103 HydrophobicContact CG2-CD2 3.76Å; L52-L103 HydrophobicContact CD2-CB 4.45Å; L52-L103 HydrophobicContact CD2-CD2 4.22Å; H99-L103 WeakPolarHBondContact O-CB 3.08Å; H99-L103 PolarHBondContact O-N 3.21Å; A100-L103 PolarHBondContact O-N 2.85Å; L103-S105 PolarHBondContact O-N 3.42Å; L103-G106 PolarHBondContact O-N 2.97Å; L103-V107 WeakPolarHBondContact CA-O 3.37Å; L103-P109 HydrophobicContact CD1-CG 3.84Å; L103-I112 HydrophobicContact CB-CD1 3.69Å; L103-I112 HydrophobicContact CD1-CD1 4.19Å
104N97.9Very high98.5Very high15 Ų1516.7 Ų16.78%0.0810%0.095CC..Hα-helixtrans-70.8-14.2-178.2-61.2135.4000113.1Q45 A79 K83 A100Q45-N104 PolarHBondContact OE1-ND2 2.96Å; A79-N104 WeakPolarHBondContact CB-OD1 3.27Å; K83-N104 HydrophobicContact CB-CB 4.23Å; K83-N104 VanDerWaalsContact CE-O 3.25Å; K83-N104 WeakPolarHBondContact CE-O 3.42Å; K83-N104 HydrophobicContact CG-CB 4.24Å; A100-N104 WeakPolarHBondContact O-CB 3.38Å; A100-N104 PolarHBondContact O-N 2.78Å; A100-N104 PolarHBondContact O-OD1 3.49Å; A100-N104 VanDerWaalsContact O-OD1 3.08Å
105S97.6Very high98.5Very high11 Ų1116.6 Ų16.68%0.0779%0.094CC..Hα-helixtrans-86-12.2170.9-56.90000113.1W101 A102 L103 Y135 G138 F140W101-S105 WeakPolarHBondContact O-CB 3.42Å; W101-S105 PolarHBondContact O-N 3.39Å; W101-S105 PolarHBondContact O-OG 2.91Å; A102-S105 PolarHBondContact O-N 3.11Å; L103-S105 PolarHBondContact O-N 3.42Å; S105-Y135 WeakPolarHBondContact O-CD1 3.27Å; S105-Y135 VanDerWaalsContact O-CE1 3.29Å; S105-Y135 WeakPolarHBondContact O-CE1 3.31Å; S105-G138 WeakPolarHBondContact O-CA 3.41Å; S105-F140 WeakPolarHBondContact OG-CB 3.45Å
106G97.4Very high98.5Very high34 Ų3416.3 Ų16.335%0.3519%0.09SC..THydrogen-bonded Turntrans118.32.6174.100000115.3A102 L103 T108A102-G106 PolarHBondContact O-N 3.42Å; L103-G106 PolarHBondContact O-N 2.97Å; G106-T108 PolarHBondContact O-N 3.12Å
107V98.4Very high98.5Very high1 Ų114.9 Ų14.91%0.0069%0.087CC..  trans-69.2126.9171.4-170.70000108.7A102 L103 Q111 I112 C123 Y135A102-V107 HydrophobicContact CB-CB 4.17Å; A102-V107 HydrophobicContact CB-CG2 4Å; A102-V107 WeakPolarHBondContact O-CB 3.32Å; A102-V107 WeakPolarHBondContact O-CG2 3.37Å; A102-V107 PolarHBondContact O-N 3.14Å; L103-V107 WeakPolarHBondContact CA-O 3.37Å; V107-Q111 HydrophobicContact CG1-CB 3.65Å; V107-I112 HydrophobicContact CB-CD1 4.25Å; V107-I112 HydrophobicContact CB-CG1 4.05Å; V107-I112 HydrophobicContact CG1-CD1 4.34Å; V107-I112 HydrophobicContact CG1-CG1 3.61Å; V107-C123 HydrophobicContact CG1-CB 3.7Å; V107-Y135 HydrophobicContact CG2-CD1 4.41Å; V107-Y135 HydrophobicContact CG2-CD2 3.69Å; V107-Y135 HydrophobicContact CG2-CE2 4.5Å; V107-Y135 HydrophobicContact CG2-CG 3.64Å
108T98.4Very high98.4Very high64 Ų6415.3 Ų15.339%0.39310%0.096SC..  trans-69.1153.3-177.463.80000111.9G106 K110 Q111 I112G106-T108 PolarHBondContact O-N 3.12Å; T108-K110 PolarHBondContact O-N 2.83Å; T108-Q111 PolarHBondContact O-N 3.1Å; T108-Q111 VanDerWaalsContact O-N 3.09Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.27Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.41Å; T108-Q111 PolarHBondContact OG1-N 2.84Å; T108-Q111 PolarHBondContact OG1-OE1 2.99Å; T108-I112 WeakPolarHBondContact O-CG1 3.18Å; T108-I112 PolarHBondContact O-N 3.34Å
109P98.7Very high98.4Very high17 Ų1717.6 Ų17.611%0.1111%0.105CC..Hα-helixtrans-52-38172.2-29.736.7000113.3L48 L52 L103 I112 L113 T325 A329L48-P109 HydrophobicContact CD1-CG 4.45Å; L48-P109 HydrophobicContact CD2-CG 4.39Å; L52-P109 HydrophobicContact CD1-CB 4.19Å; L103-P109 HydrophobicContact CD1-CG 3.84Å; P109-I112 PolarHBondContact O-N 3.24Å; P109-L113 WeakPolarHBondContact O-CB 3.49Å; P109-L113 VanDerWaalsContact O-CG 3.23Å; P109-L113 WeakPolarHBondContact O-CG 3.27Å; P109-L113 PolarHBondContact O-N 3.49Å; P109-T325 HydrophobicContact CG-CG2 4.25Å; P109-A329 HydrophobicContact CB-CB 3.74Å
110K98.5Very high98.2Very high59 Ų5918.7 Ų18.726%0.25711%0.112SC..Hα-helixtrans-61.3-48.9177.6-178.6-175.9174.6179.90111T108 I112 L113 G114 A329 E332 A333 D336T108-K110 PolarHBondContact O-N 2.83Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.16Å; K110-L113 PolarHBondContact O-N 3Å; K110-G114 WeakPolarHBondContact O-CA 3.47Å; K110-G114 PolarHBondContact O-N 3.03Å; K110-A329 HydrophobicContact CB-CB 4.12Å; K110-E332 HydrophobicContact CD-CB 3.95Å; K110-E332 HydrophobicContact CG-CB 4.38Å; K110-A333 HydrophobicContact CG-CB 4.1Å; K110-D336 WeakPolarHBondContact CE-OD2 3.28Å; K110-D336 IonicContact NZ-OD1 3.87Å; K110-D336 IonicContact NZ-OD2 3.94Å; K110-D336 PolarHBondContact NZ-OD2 3.46Å
111Q98.4Very high98Very high62 Ų6220 Ų2029%0.2912%0.121SC..Hα-helixtrans-65-36.8178.9-72.6166.7-49.700112V107 T108 E115 S121 G122 C123V107-Q111 HydrophobicContact CG1-CB 3.65Å; T108-Q111 PolarHBondContact O-N 3.1Å; T108-Q111 VanDerWaalsContact O-N 3.09Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.27Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.41Å; T108-Q111 PolarHBondContact OG1-N 2.84Å; T108-Q111 PolarHBondContact OG1-OE1 2.99Å; Q111-E115 WeakPolarHBondContact O-CB 3.39Å; Q111-E115 PolarHBondContact O-N 2.94Å; Q111-S121 WeakPolarHBondContact CG-O 3.07Å; Q111-G122 WeakPolarHBondContact O-CA 3.42Å; Q111-C123 HydrophobicContact CB-CB 4.17Å; Q111-C123 PolarHBondContact O-N 2.92Å
112I98.8Very high98Very high0 Ų020 Ų200%012%0.122CC..Hα-helixtrans-66.3-52177.1-62.7170.1000110.6L52 H99 A102 L103 V107 T108 P109 K110 G114 E115 L116 F133L52-I112 HydrophobicContact CD1-CB 4.45Å; L52-I112 HydrophobicContact CD1-CG2 4.39Å; L52-I112 HydrophobicContact CD2-CB 4.44Å; L52-I112 HydrophobicContact CD2-CD1 3.81Å; L52-I112 HydrophobicContact CD2-CG2 4.03Å; H99-I112 HydrophobicContact CB-CG2 4.39Å; A102-I112 HydrophobicContact CB-CD1 4.11Å; A102-I112 HydrophobicContact CB-CG1 4.36Å; L103-I112 HydrophobicContact CB-CD1 3.69Å; L103-I112 HydrophobicContact CD1-CD1 4.19Å; V107-I112 HydrophobicContact CB-CD1 4.25Å; V107-I112 HydrophobicContact CB-CG1 4.05Å; V107-I112 HydrophobicContact CG1-CD1 4.34Å; V107-I112 HydrophobicContact CG1-CG1 3.61Å; T108-I112 WeakPolarHBondContact O-CG1 3.18Å; T108-I112 PolarHBondContact O-N 3.34Å; P109-I112 PolarHBondContact O-N 3.24Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.16Å; I112-G114 VanDerWaalsContact C-N 3.33Å; I112-G114 PolarHBondContact O-N 3.26Å; I112-E115 PolarHBondContact O-N 2.84Å; I112-L116 HydrophobicContact CG2-CD1 4.24Å; I112-L116 WeakPolarHBondContact O-CG 3.48Å; I112-L116 PolarHBondContact O-N 3.41Å; I112-F133 HydrophobicContact CB-CE1 4.21Å; I112-F133 HydrophobicContact CG1-CD1 4.45Å; I112-F133 HydrophobicContact CG1-CE1 4.25Å; I112-F133 HydrophobicContact CG2-CE1 3.92Å; I112-F133 HydrophobicContact CG2-CZ 3.91Å
113L98.7Very high97.8Very high0 Ų021.2 Ų21.20%013%0.13CC..Hα-helixtrans-65.8-36.6-179.3-62.7175.1000112L52 T55 M59 P109 K110 L116 A117 V326 A329 L330 A333L52-L113 HydrophobicContact CD1-CD1 4.23Å; L52-L113 HydrophobicContact CD1-CD2 3.68Å; L52-L113 HydrophobicContact CD1-CG 3.75Å; T55-L113 HydrophobicContact CG2-CD1 4.26Å; T55-L113 HydrophobicContact CG2-CD2 4.1Å; M59-L113 HydrophobicContact CE-CB 4.49Å; M59-L113 HydrophobicContact SD-CB 4.41Å; M59-L113 HydrophobicContact SD-CD2 3.68Å; P109-L113 WeakPolarHBondContact O-CB 3.49Å; P109-L113 VanDerWaalsContact O-CG 3.23Å; P109-L113 WeakPolarHBondContact O-CG 3.27Å; P109-L113 PolarHBondContact O-N 3.49Å; K110-L113 PolarHBondContact O-N 3Å; L113-L116 HydrophobicContact CD2-CD1 4.38Å; L113-L116 PolarHBondContact O-N 3.5Å; L113-A117 WeakPolarHBondContact O-CB 3.38Å; L113-A117 PolarHBondContact O-N 3.11Å; L113-V326 HydrophobicContact CD1-CG1 4.14Å; L113-A329 HydrophobicContact CD1-CB 4.32Å; L113-L330 HydrophobicContact CD1-CB 3.88Å; L113-L330 HydrophobicContact CD1-CD1 4.32Å; L113-A333 HydrophobicContact CB-CB 4.33Å
114G98.5Very high97.7Very high0 Ų022.2 Ų22.20%014%0.136CC..Hα-helixtrans-61.1-45173.600000112K110 I112 A117 G118 R119K110-G114 WeakPolarHBondContact O-CA 3.47Å; K110-G114 PolarHBondContact O-N 3.03Å; I112-G114 VanDerWaalsContact C-N 3.33Å; I112-G114 PolarHBondContact O-N 3.26Å; G114-A117 CarbonylContact O-C 3.58Å; G114-A117 PolarHBondContact O-N 2.94Å; G114-G118 PolarHBondContact O-N 2.84Å; G114-R119 PolarHBondContact O-N 3.24Å
115E98.7Very high97.6Very high0 Ų024 Ų240%014%0.144CC..Hα-helixtrans-64.8-42.5176.7-170.760.5-138.300111.7Q111 I112 A117 G118 G122 C123 V124 H125 G126 K127 G128 G129 F133Q111-E115 WeakPolarHBondContact O-CB 3.39Å; Q111-E115 PolarHBondContact O-N 2.94Å; I112-E115 PolarHBondContact O-N 2.84Å; E115-A117 VanDerWaalsContact C-N 3.26Å; E115-A117 PolarHBondContact O-N 3.35Å; E115-G118 PolarHBondContact O-N 3.47Å; E115-G122 VanDerWaalsContact N-CA 3.34Å; E115-G122 VanDerWaalsContact OE2-C 3.29Å; E115-G122 VanDerWaalsContact OE2-CA 3.28Å; E115-G122 WeakPolarHBondContact OE2-CA 3.49Å; E115-C123 PolarHBondContact OE2-N 3.4Å; E115-V124 HydrophobicContact CG-CG2 4.09Å; E115-V124 VanDerWaalsContact OE1-CG2 3.23Å; E115-V124 WeakPolarHBondContact OE1-CG2 3.19Å; E115-V124 VanDerWaalsContact OE2-CG2 3.3Å; E115-V124 WeakPolarHBondContact OE2-CG2 3.43Å; E115-V124 PolarHBondContact OE2-N 3.29Å; E115-H125 PolarHBondContact OE2-N 2.87Å; E115-G126 VanDerWaalsContact OE1-C 3.24Å; E115-G126 VanDerWaalsContact OE1-CA 3.24Å; E115-G126 WeakPolarHBondContact OE1-CA 3.3Å; E115-G126 PolarHBondContact OE1-N 3.27Å; E115-G126 PolarHBondContact OE2-N 3.41Å; E115-K127 PolarHBondContact OE1-N 3.18Å; E115-G128 WeakPolarHBondContact OE1-CA 3.07Å; E115-G128 PolarHBondContact OE1-N 2.88Å; E115-G129 PolarHBondContact OE1-N 2.97Å; E115-F133 HydrophobicContact CB-CE1 3.57Å; E115-F133 HydrophobicContact CB-CZ 3.95Å; E115-F133 HydrophobicContact CG-CD1 4.45Å; E115-F133 HydrophobicContact CG-CE1 3.72Å; E115-F133 HydrophobicContact CG-CZ 3.97Å
116L98.7Very high97.5Very high8 Ų824.6 Ų24.64%0.04215%0.152CC..Hα-helixtrans-60-38.3174.8-68.5176.8000112.1A56 V65 I112 L113 G118 S130 F133A56-L116 HydrophobicContact CB-CD1 3.71Å; V65-L116 HydrophobicContact CG1-CB 4.34Å; V65-L116 HydrophobicContact CG2-CB 3.77Å; I112-L116 HydrophobicContact CG2-CD1 4.24Å; I112-L116 WeakPolarHBondContact O-CG 3.48Å; I112-L116 PolarHBondContact O-N 3.41Å; L113-L116 HydrophobicContact CD2-CD1 4.38Å; L113-L116 PolarHBondContact O-N 3.5Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.37Å; L116-S130 VanDerWaalsContact CD2-CB 3.49Å; L116-F133 HydrophobicContact CD2-CE2 4.31Å; L116-F133 HydrophobicContact CD2-CZ 4.08Å; L116-F133 HydrophobicContact CG-CZ 4.15Å
117A98.2Very high97.5Very high12 Ų1227.4 Ų27.410%0.09915%0.154CC..THydrogen-bonded Turntrans-83.84.1177.300000114M59 Q64 L113 G114 E115 R119 L334M59-A117 HydrophobicContact CE-CB 3.78Å; Q64-A117 WeakPolarHBondContact O-CA 3.38Å; L113-A117 WeakPolarHBondContact O-CB 3.38Å; L113-A117 PolarHBondContact O-N 3.11Å; G114-A117 CarbonylContact O-C 3.58Å; G114-A117 PolarHBondContact O-N 2.94Å; E115-A117 VanDerWaalsContact C-N 3.26Å; E115-A117 PolarHBondContact O-N 3.35Å; A117-R119 HydrophobicContact CB-CG 3.89Å; A117-R119 WeakPolarHBondContact O-CD 3.45Å; A117-R119 PolarHBondContact O-N 3Å; A117-R119 PolarHBondContact O-NE 3.44Å; A117-L334 HydrophobicContact CB-CD2 4.09Å
118G97.9Very high97.4Very high24 Ų2428.4 Ų28.425%0.24716%0.164CC..THydrogen-bonded Turntrans65.235.1179.500000113.8G114 E115 L116 P339G114-G118 PolarHBondContact O-N 2.84Å; E115-G118 PolarHBondContact O-N 3.47Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.37Å; G118-P339 WeakPolarHBondContact O-CD 3.46Å
119R97.6Very high97.4Very high48 Ų4826.3 Ų26.318%0.18116%0.156CC..  trans-97.4155.9-177.8-50.5-51.5-179.381.53111.8G114 A117 S121 G122 H125 G126 L334 D336G114-R119 PolarHBondContact O-N 3.24Å; A117-R119 HydrophobicContact CB-CG 3.89Å; A117-R119 WeakPolarHBondContact O-CD 3.45Å; A117-R119 PolarHBondContact O-N 3Å; A117-R119 PolarHBondContact O-NE 3.44Å; R119-S121 PolarHBondContact O-N 3.43Å; R119-G122 PolarHBondContact O-N 2.95Å; R119-H125 CarbonylContact O-C 3.47Å; R119-G126 PolarHBondContact O-N 3.07Å; R119-L334 VanDerWaalsContact NH1-CA 3.33Å; R119-L334 PolarHBondContact NH1-O 2.86Å; R119-D336 HydrophobicContact CB-CB 4.4Å; R119-D336 PolarHBondContact NH1-O 3.48Å
120V96.2Very high97.4Very high24 Ų2425.9 Ų25.915%0.14515%0.153CC..THydrogen-bonded Turntrans-60.7-27.2179.9740000113.4G122 H125 D336 P337 L343 L376V120-G122 PolarHBondContact O-N 2.68Å; V120-H125 PolarHBondContact O-CD2 3.04Å; V120-D336 HydrophobicContact CG1-CB 4.38Å; V120-P337 HydrophobicContact CG1-CG 3.95Å; V120-P337 PolarHBondContact N-O 3.12Å; V120-L343 HydrophobicContact CG2-CD1 4.39Å; V120-L376 HydrophobicContact CG2-CD1 3.75Å; V120-L376 HydrophobicContact CG2-CD2 3.28Å; V120-L376 HydrophobicContact CG2-CG 4.16Å
121S94.2Very high97.4Very high26 Ų2624.7 Ų24.718%0.18215%0.149CC..THydrogen-bonded Turntrans-80.6-0.1176.6580000114.3Q111 R119 D336Q111-S121 WeakPolarHBondContact CG-O 3.07Å; R119-S121 PolarHBondContact O-N 3.43Å; S121-D336 WeakPolarHBondContact CB-OD2 3.16Å; S121-D336 WeakPolarHBondContact OG-CB 3.18Å; S121-D336 PolarHBondContact OG-OD2 2.88Å
122G97.1Very high97.4Very high3 Ų324.4 Ų24.43%0.03115%0.148CC..SBendtrans-56150.7169.400000111.8Q111 E115 R119 V120 V124 H125Q111-G122 WeakPolarHBondContact O-CA 3.42Å; E115-G122 VanDerWaalsContact N-CA 3.34Å; E115-G122 VanDerWaalsContact OE2-C 3.29Å; E115-G122 VanDerWaalsContact OE2-CA 3.28Å; E115-G122 WeakPolarHBondContact OE2-CA 3.49Å; R119-G122 PolarHBondContact O-N 2.95Å; V120-G122 PolarHBondContact O-N 2.68Å; G122-V124 PolarHBondContact O-N 3.45Å; G122-V124 VanDerWaalsContact O-N 3.08Å; G122-H125 PolarHBondContact O-N 2.96Å
123C95.5Very high97.4Very high25 Ų2524.4 Ų24.417%0.16915%0.148CC..THydrogen-bonded Turntrans-61.2-20.7-177.965.80000113.7V107 Q111 E115 F133V107-C123 HydrophobicContact CG1-CB 3.7Å; Q111-C123 HydrophobicContact CB-CB 4.17Å; Q111-C123 PolarHBondContact O-N 2.92Å; E115-C123 PolarHBondContact OE2-N 3.4Å; C123-F133 WeakPolarHBondContact SG-CD1 3.49Å
124V95.5Very high97.3Very high33 Ų3329 Ų2920%0.217%0.166CC..THydrogen-bonded Turntrans-123.431.2170.8-62.70000111.2E115 G122 G126 K127 H132 Y134E115-V124 HydrophobicContact CG-CG2 4.09Å; E115-V124 VanDerWaalsContact OE1-CG2 3.23Å; E115-V124 WeakPolarHBondContact OE1-CG2 3.19Å; E115-V124 VanDerWaalsContact OE2-CG2 3.3Å; E115-V124 WeakPolarHBondContact OE2-CG2 3.43Å; E115-V124 PolarHBondContact OE2-N 3.29Å; G122-V124 PolarHBondContact O-N 3.45Å; G122-V124 VanDerWaalsContact O-N 3.08Å; V124-G126 VanDerWaalsContact C-N 3.31Å; V124-G126 PolarHBondContact O-N 3.13Å; V124-K127 WeakPolarHBondContact O-CB 3.17Å; V124-K127 PolarHBondContact O-N 3.08Å; V124-H132 WeakPolarHBondContact CG2-O 3.29Å; V124-Y134 HydrophobicContact CG1-CD2 3.94Å
125H95.9Very high97.3Very high53 Ų5332 Ų3225%0.24518%0.177CC..THydrogen-bonded Turntrans56.239.1174.1-43.7121.4000114E115 R119 V120 G122 K127 P339 S372E115-H125 PolarHBondContact OE2-N 2.87Å; R119-H125 CarbonylContact O-C 3.47Å; V120-H125 PolarHBondContact O-CD2 3.04Å; G122-H125 PolarHBondContact O-N 2.96Å; H125-K127 PolarHBondContact O-N 3.29Å; H125-P339 WeakPolarHBondContact O-CG 3.45Å; H125-S372 WeakPolarHBondContact ND1-CB 3.34Å
126G96.4Very high97.1Very high23 Ų2336.5 Ų36.524%0.23721%0.207CC..THydrogen-bonded Turntrans74.87.5175.400000114.6E115 R119 V124E115-G126 VanDerWaalsContact OE1-C 3.24Å; E115-G126 VanDerWaalsContact OE1-CA 3.24Å; E115-G126 WeakPolarHBondContact OE1-CA 3.3Å; E115-G126 PolarHBondContact OE1-N 3.27Å; E115-G126 PolarHBondContact OE2-N 3.41Å; R119-G126 PolarHBondContact O-N 3.07Å; V124-G126 VanDerWaalsContact C-N 3.31Å; V124-G126 PolarHBondContact O-N 3.13Å
127K96.5Very high96.9Very high94 Ų9443.2 Ų43.241%0.40924%0.238SC..SBendtrans-83.1-28179.5-71.4-158.517187.10113.8E115 V124 H125 L343 D347 S372E115-K127 PolarHBondContact OE1-N 3.18Å; V124-K127 WeakPolarHBondContact O-CB 3.17Å; V124-K127 PolarHBondContact O-N 3.08Å; H125-K127 PolarHBondContact O-N 3.29Å; K127-L343 WeakPolarHBondContact CE-O 3.12Å; K127-L343 PolarHBondContact NZ-O 2.93Å; K127-D347 IonicContact NZ-OD2 2.93Å; K127-D347 PolarHBondContact NZ-OD2 3.17Å; K127-S372 PolarHBondContact NZ-OG 2.91Å
128G97.5Very high96.8Very high21 Ų2143.3 Ų43.322%0.21624%0.24CC..SBendtrans-95.8-39.7-169.100000113.4E115 H132E115-G128 WeakPolarHBondContact OE1-CA 3.07Å; E115-G128 PolarHBondContact OE1-N 2.88Å; G128-H132 PolarHBondContact O-CD2 3.04Å
129G98.1Very high96.8Very high21 Ų2144.3 Ų44.322%0.21624%0.24CC..G310 helixtrans62.8-156.1-169.400000112.7E115 M131 H132E115-G129 PolarHBondContact OE1-N 2.97Å; G129-M131 VanDerWaalsContact C-N 3.26Å; G129-M131 PolarHBondContact O-N 3.33Å; G129-M131 VanDerWaalsContact O-N 3.12Å; G129-H132 PolarHBondContact O-N 2.93Å
130S98.6Very high96.9Very high7 Ų742.1 Ų42.15%0.04923%0.231CC..G310 helixtrans-60.9-27.2-168.8177.30000115.6F68 C69 H99 L116 F133F68-S130 WeakPolarHBondContact O-CB 3.42Å; C69-S130 WeakPolarHBondContact CA-OG 3.3Å; H99-S130 PolarHBondContact NE2-OG 2.89Å; L116-S130 VanDerWaalsContact CD2-CB 3.49Å; S130-F133 WeakPolarHBondContact O-CD2 3.43Å; S130-F133 VanDerWaalsContact O-CE2 3.23Å; S130-F133 WeakPolarHBondContact O-CE2 3.26Å
131M98.7Very high97Very high34 Ų3445.5 Ų45.517%0.16724%0.242CC..G310 helixtrans-92.8-11.6-169.9-56.9-166.8-66.100113.6F68 G129 G143 A145F68-M131 HydrophobicContact CB-CE 4.4Å; F68-M131 HydrophobicContact CB-CG 4.06Å; F68-M131 HydrophobicContact CB-SD 3.85Å; F68-M131 HydrophobicContact CD2-CE 3.6Å; F68-M131 HydrophobicContact CD2-SD 3.79Å; F68-M131 HydrophobicContact CE2-CE 4.28Å; F68-M131 HydrophobicContact CG-CE 4.29Å; F68-M131 HydrophobicContact CG-SD 3.9Å; G129-M131 VanDerWaalsContact C-N 3.26Å; G129-M131 PolarHBondContact O-N 3.33Å; G129-M131 VanDerWaalsContact O-N 3.12Å; M131-G143 CarbonylContact O-C 3.57Å; M131-G143 WeakPolarHBondContact O-CA 3.43Å; M131-A145 HydrophobicContact CB-CB 4.35Å; M131-A145 HydrophobicContact CE-CB 3.78Å; M131-A145 HydrophobicContact SD-CB 3.85Å
132H98.7Very high97.2Very high57 Ų5744.2 Ų44.226%0.26423%0.233SC..  trans-133.657.3-161.6-63.4-51.9000112V124 G128 G129 Y134 G143V124-H132 WeakPolarHBondContact CG2-O 3.29Å; G128-H132 PolarHBondContact O-CD2 3.04Å; G129-H132 PolarHBondContact O-N 2.93Å; H132-Y134 HydrophobicContact CB-CE2 3.95Å; H132-Y134 WeakPolarHBondContact O-CD2 3.1Å; H132-Y134 WeakPolarHBondContact O-CE2 3.36Å; H132-G143 PolarHBondContact ND1-O 3.38Å
133F98Very high97.2Very high0 Ų044.1 Ų44.10%023%0.232CC..  trans-83.2141.5168.1-68.2-85.9000109.9H99 A102 I112 E115 L116 C123 S130 F140 G142 G143H99-F133 AromaticContact CD2-CE2 3.51Å; A102-F133 HydrophobicContact CB-CB 3.79Å; A102-F133 HydrophobicContact CB-CD1 4.12Å; A102-F133 HydrophobicContact CB-CG 3.98Å; I112-F133 HydrophobicContact CB-CE1 4.21Å; I112-F133 HydrophobicContact CG1-CD1 4.45Å; I112-F133 HydrophobicContact CG1-CE1 4.25Å; I112-F133 HydrophobicContact CG2-CE1 3.92Å; I112-F133 HydrophobicContact CG2-CZ 3.91Å; E115-F133 HydrophobicContact CB-CE1 3.57Å; E115-F133 HydrophobicContact CB-CZ 3.95Å; E115-F133 HydrophobicContact CG-CD1 4.45Å; E115-F133 HydrophobicContact CG-CE1 3.72Å; E115-F133 HydrophobicContact CG-CZ 3.97Å; L116-F133 HydrophobicContact CD2-CE2 4.31Å; L116-F133 HydrophobicContact CD2-CZ 4.08Å; L116-F133 HydrophobicContact CG-CZ 4.15Å; C123-F133 WeakPolarHBondContact SG-CD1 3.49Å; S130-F133 WeakPolarHBondContact O-CD2 3.43Å; S130-F133 VanDerWaalsContact O-CE2 3.23Å; S130-F133 WeakPolarHBondContact O-CE2 3.26Å; F133-F140 HydrophobicContact CB-CE1 3.93Å; F133-G142 CarbonylContact O-C 3.59Å; F133-G142 WeakPolarHBondContact O-CA 3.32Å; F133-G143 PolarHBondContact O-N 2.77Å; F133-G143 VanDerWaalsContact O-N 3.11Å
134Y97.9Very high97.3Very high97 Ų9743.7 Ų43.738%0.3823%0.229SC..  trans-141.7145.2173.8-58.3-93.9000109V124 H132 Y141V124-Y134 HydrophobicContact CG1-CD2 3.94Å; H132-Y134 HydrophobicContact CB-CE2 3.95Å; H132-Y134 WeakPolarHBondContact O-CD2 3.1Å; H132-Y134 WeakPolarHBondContact O-CE2 3.36Å; Y134-Y141 VanDerWaalsContact CD1-O 3.28Å; Y134-Y141 WeakPolarHBondContact CD1-O 3.44Å; Y134-Y141 VanDerWaalsContact CE1-O 3.24Å; Y134-Y141 WeakPolarHBondContact CE1-O 3.37Å
135Y97.3Very high97.4Very high61 Ų6143.4 Ų43.424%0.23923%0.231CC..BIsolated β-bridgetrans-150.385.1176.8-162.7-114.3000111.3S105 V107 Q137 G138 N139 F140S105-Y135 WeakPolarHBondContact O-CD1 3.27Å; S105-Y135 VanDerWaalsContact O-CE1 3.29Å; S105-Y135 WeakPolarHBondContact O-CE1 3.31Å; V107-Y135 HydrophobicContact CG2-CD1 4.41Å; V107-Y135 HydrophobicContact CG2-CD2 3.69Å; V107-Y135 HydrophobicContact CG2-CE2 4.5Å; V107-Y135 HydrophobicContact CG2-CG 3.64Å; Y135-Q137 VanDerWaalsContact C-N 3.26Å; Y135-Q137 HydrophobicContact CD1-CB 4.41Å; Y135-Q137 HydrophobicContact CE1-CB 3.93Å; Y135-Q137 PolarHBondContact O-N 2.97Å; Y135-G138 CarbonylContact O-C 3.55Å; Y135-G138 PolarHBondContact O-N 3.2Å; Y135-N139 PolarHBondContact O-N 2.91Å; Y135-F140 PolarHBondContact N-O 2.95Å; Y135-F140 PolarHBondContact O-N 2.81Å
136P94.7Very high97.6Very high96 Ų9646.8 Ų46.862%0.62325%0.249SC*.G310 helixtrans-58.1-35.3-175.6-26.335.2000113.8G138 N139P136-G138 PolarHBondContact O-N 3.12Å; P136-N139 PolarHBondContact O-N 3.18Å
137Q95.2Very high97.7Very high149 Ų14948.3 Ų48.370%0.69625%0.253SS*.G310 helixtrans-62.8-28.5178.9-64.978.93.100112.4Y135Y135-Q137 VanDerWaalsContact C-N 3.26Å; Y135-Q137 HydrophobicContact CD1-CB 4.41Å; Y135-Q137 HydrophobicContact CE1-CB 3.93Å; Y135-Q137 PolarHBondContact O-N 2.97Å
138G96.3Very high97.8Very high13 Ų1343.8 Ų43.813%0.13423%0.234CC..G310 helixtrans-99.412.3174.600000114S105 Y135 P136 F140S105-G138 WeakPolarHBondContact O-CA 3.41Å; Y135-G138 CarbonylContact O-C 3.55Å; Y135-G138 PolarHBondContact O-N 3.2Å; P136-G138 PolarHBondContact O-N 3.12Å; G138-F140 PolarHBondContact O-N 2.99Å
139N97.9Very high97.9Very high46 Ų4644 Ų4425%0.24623%0.234CC..THydrogen-bonded Turntrans5334.7-174.4-64.5-54.9000113.9G89 D90 S91 V92 Y135 P136 Y141G89-N139 WeakPolarHBondContact CA-ND2 3.44Å; D90-N139 WeakPolarHBondContact O-CB 3.48Å; S91-N139 VanDerWaalsContact CA-O 3.28Å; S91-N139 WeakPolarHBondContact CA-O 3.41Å; S91-N139 VanDerWaalsContact CB-O 3.27Å; S91-N139 WeakPolarHBondContact CB-O 3.4Å; V92-N139 PolarHBondContact N-O 3.22Å; Y135-N139 PolarHBondContact O-N 2.91Å; P136-N139 PolarHBondContact O-N 3.18Å; N139-Y141 HydrophobicContact CB-CE2 4.42Å; N139-Y141 WeakPolarHBondContact O-CD2 3.23Å
140F98.6Very high97.9Very high2 Ų243 Ų431%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-99.8105.3176.2179.7-126000110.5V92 T94 C98 W101 A102 S105 F133 Y135 G138 G142V92-F140 HydrophobicContact CB-CD2 4.29Å; V92-F140 HydrophobicContact CG1-CD2 4.02Å; V92-F140 HydrophobicContact CG1-CE2 4.18Å; T94-F140 HydrophobicContact CG2-CE2 3.97Å; T94-F140 HydrophobicContact CG2-CZ 4.24Å; C98-F140 HydrophobicContact CB-CZ 4.06Å; W101-F140 HydrophobicContact CB-CD2 4.42Å; W101-F140 HydrophobicContact CB-CE2 3.74Å; W101-F140 HydrophobicContact CB-CZ 3.9Å; A102-F140 HydrophobicContact CB-CD1 4.46Å; A102-F140 HydrophobicContact CB-CE1 3.93Å; S105-F140 WeakPolarHBondContact OG-CB 3.45Å; F133-F140 HydrophobicContact CB-CE1 3.93Å; Y135-F140 PolarHBondContact N-O 2.95Å; Y135-F140 PolarHBondContact O-N 2.81Å; G138-F140 PolarHBondContact O-N 2.99Å; F140-G142 VanDerWaalsContact CZ-C 3.49Å; F140-G142 VanDerWaalsContact CZ-CA 3.44Å; F140-G142 PolarHBondContact O-N 3.17Å
141Y98.5Very high97.9Very high94 Ų9442.7 Ų42.737%0.36922%0.221SC..EExtended strand (participates in β ladder)trans-855.1-177.9-67.4-99.4000112.8S91 V92 Y134 N139 I157S91-Y141 VanDerWaalsContact CB-CE2 3.42Å; V92-Y141 PolarHBondContact O-N 2.65Å; Y134-Y141 VanDerWaalsContact CD1-O 3.28Å; Y134-Y141 WeakPolarHBondContact CD1-O 3.44Å; Y134-Y141 VanDerWaalsContact CE1-O 3.24Å; Y134-Y141 WeakPolarHBondContact CE1-O 3.37Å; N139-Y141 HydrophobicContact CB-CE2 4.42Å; N139-Y141 WeakPolarHBondContact O-CD2 3.23Å; Y141-I157 HydrophobicContact CD1-CD1 3.47Å; Y141-I157 VanDerWaalsContact CD1-CD1 3.47Å; Y141-I157 HydrophobicContact CD1-CG1 4.15Å; Y141-I157 HydrophobicContact CD2-CD1 3.71Å; Y141-I157 HydrophobicContact CE1-CD1 3.87Å; Y141-I157 HydrophobicContact CE1-CG1 4.08Å; Y141-I157 HydrophobicContact CE2-CD1 4.12Å; Y141-I157 HydrophobicContact CE2-CG2 4.17Å; Y141-I157 HydrophobicContact CG-CD1 3.36Å; Y141-I157 HydrophobicContact CG-CG1 4.43Å
142G97.5Very high97.9Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans102.3-174.6152.700000116.4T94 F133 F140T94-G142 PolarHBondContact N-O 2.8Å; T94-G142 VanDerWaalsContact N-O 3.1Å; T94-G142 VanDerWaalsContact O-O 3.1Å; F133-G142 CarbonylContact O-C 3.59Å; F133-G142 WeakPolarHBondContact O-CA 3.32Å; F140-G142 VanDerWaalsContact CZ-C 3.49Å; F140-G142 VanDerWaalsContact CZ-CA 3.44Å; F140-G142 PolarHBondContact O-N 3.17Å
143G98.4Very high97.9Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-91.3128.5172.200000111.8A95 M131 H132 F133A95-G143 WeakPolarHBondContact O-CA 3.48Å; M131-G143 CarbonylContact O-C 3.57Å; M131-G143 WeakPolarHBondContact O-CA 3.43Å; H132-G143 PolarHBondContact ND1-O 3.38Å; F133-G143 PolarHBondContact O-N 2.77Å; F133-G143 VanDerWaalsContact O-N 3.11Å
144C98.3Very high98Very high16 Ų1644.8 Ų44.811%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-110128.6175.6-68.60000111.3T94 A95 Y96 Q150T94-C144 PolarHBondContact O-N 2.79Å; A95-C144 CarbonylContact C-O 3.53Å; A95-C144 VanDerWaalsContact C-O 3.32Å; A95-C144 VanDerWaalsContact CA-O 3.29Å; A95-C144 WeakPolarHBondContact CA-O 3.45Å; Y96-C144 PolarHBondContact N-O 3.07Å; C144-Q150 HydrophobicContact CB-CB 3.77Å
145A97.7Very high98Very high28 Ų2840.4 Ų40.423%0.23122%0.22CC..SBendtrans-78.5-28.9-179.200000113.3M131 V147M131-A145 HydrophobicContact CB-CB 4.35Å; M131-A145 HydrophobicContact CE-CB 3.78Å; M131-A145 HydrophobicContact SD-CB 3.85Å; A145-V147 PolarHBondContact O-N 3Å
146I98.7Very high98.1Very high123 Ų12339.4 Ų39.463%0.63123%0.228SC*.SBendtrans-83.2112.1-177.1-51.9-54000109.3G148 A149I146-G148 PolarHBondContact O-N 2.95Å; I146-G148 VanDerWaalsContact O-N 3.1Å; I146-A149 HydrophobicContact CB-CB 3.8Å; I146-A149 HydrophobicContact CG2-CB 3.93Å; I146-A149 WeakPolarHBondContact O-CB 3.16Å; I146-A149 PolarHBondContact O-N 3.27Å
147V98.7Very high98.3Very high55 Ų5535.8 Ų35.833%0.33320%0.203SC..THydrogen-bonded Turntrans-56.2116-173.4-177.70000110.8Y96 A145 A178 Q181Y96-V147 HydrophobicContact CE1-CG2 4.21Å; A145-V147 PolarHBondContact O-N 3Å; V147-A178 HydrophobicContact CG1-CB 3.49Å; V147-A178 VanDerWaalsContact CG1-CB 3.49Å; V147-Q181 HydrophobicContact CG1-CG 4.23Å; V147-Q181 WeakPolarHBondContact O-CG 3.36Å
148G98.7Very high98.5Very high0 Ų028.7 Ų28.70%017%0.17CC..THydrogen-bonded Turntrans92.5-16.2177.200000114.4I146 Q150 V151 P152I146-G148 PolarHBondContact O-N 2.95Å; I146-G148 VanDerWaalsContact O-N 3.1Å; G148-Q150 VanDerWaalsContact C-N 3.25Å; G148-Q150 VanDerWaalsContact N-OE1 3.16Å; G148-Q150 PolarHBondContact O-N 2.9Å; G148-V151 PolarHBondContact O-N 2.93Å; G148-V151 VanDerWaalsContact O-N 3.13Å; G148-P152 WeakPolarHBondContact O-CD 3.33Å
149A98.8Very high98.6Very high26 Ų2632.4 Ų32.422%0.21518%0.182CC..THydrogen-bonded Turntrans-66.3-26.2-177.100000113.4I146 V151 P152 L153I146-A149 HydrophobicContact CB-CB 3.8Å; I146-A149 HydrophobicContact CG2-CB 3.93Å; I146-A149 WeakPolarHBondContact O-CB 3.16Å; I146-A149 PolarHBondContact O-N 3.27Å; A149-V151 PolarHBondContact O-N 3.13Å; A149-P152 WeakPolarHBondContact O-CD 3.22Å; A149-L153 WeakPolarHBondContact O-CG 3.28Å
150Q98.8Very high98.6Very high0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-68.8-22.717673.8-73.42.700113.5I93 C144 G148 L153 G154 L173I93-Q150 HydrophobicContact CD1-CB 4Å; I93-Q150 HydrophobicContact CG1-CB 4.02Å; I93-Q150 HydrophobicContact CG2-CB 4.49Å; I93-Q150 WeakPolarHBondContact CG2-O 3.27Å; C144-Q150 HydrophobicContact CB-CB 3.77Å; G148-Q150 VanDerWaalsContact C-N 3.25Å; G148-Q150 VanDerWaalsContact N-OE1 3.16Å; G148-Q150 PolarHBondContact O-N 2.9Å; Q150-L153 PolarHBondContact O-N 2.85Å; Q150-G154 PolarHBondContact O-N 3.22Å; Q150-L173 WeakPolarHBondContact CG-O 3.4Å; Q150-L173 PolarHBondContact NE2-O 3.35Å
151V98.9Very high98.6Very high0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-73-45.1-174.1-174.10000111.1G148 A149 L153 G154 T155 Y174 I184 V187 F200G148-V151 PolarHBondContact O-N 2.93Å; G148-V151 VanDerWaalsContact O-N 3.13Å; A149-V151 PolarHBondContact O-N 3.13Å; V151-L153 VanDerWaalsContact C-N 3.33Å; V151-L153 PolarHBondContact O-N 3Å; V151-G154 PolarHBondContact O-N 2.89Å; V151-T155 PolarHBondContact O-N 3.27Å; V151-T155 PolarHBondContact O-OG1 2.85Å; V151-Y174 HydrophobicContact CG1-CD1 4.48Å; V151-Y174 HydrophobicContact CG2-CD1 3.64Å; V151-Y174 HydrophobicContact CG2-CG 3.93Å; V151-I184 HydrophobicContact CB-CG1 3.97Å; V151-I184 HydrophobicContact CG1-CG1 4.15Å; V151-I184 HydrophobicContact CG1-CG2 4.22Å; V151-I184 HydrophobicContact CG2-CD1 3.93Å; V151-I184 HydrophobicContact CG2-CG1 3.93Å; V151-V187 HydrophobicContact CG1-CG2 3.92Å; V151-F200 HydrophobicContact CG1-CD1 3.63Å; V151-F200 HydrophobicContact CG1-CE1 3.69Å
152P98.9Very high98.6Very high36 Ų3632 Ų3223%0.23419%0.185CC..Hα-helixtrans-58.7-40.5167.3-27.735.8000114.3G148 A149 T155 G156 Q183 V187G148-P152 WeakPolarHBondContact O-CD 3.33Å; A149-P152 WeakPolarHBondContact O-CD 3.22Å; P152-T155 WeakPolarHBondContact O-CB 3.25Å; P152-T155 PolarHBondContact O-N 3.29Å; P152-G156 PolarHBondContact O-N 3.49Å; P152-Q183 HydrophobicContact CG-CB 4.07Å; P152-Q183 HydrophobicContact CG-CG 4.08Å; P152-V187 HydrophobicContact CB-CG1 3.67Å; P152-V187 HydrophobicContact CG-CG1 3.71Å; P152-V187 HydrophobicContact CG-CG2 4.33Å
153L98.9Very high98.7Very high98 Ų9840.8 Ų40.851%0.51322%0.22SC..Hα-helixtrans-62.5-46.1178.2-64.8176.9000111.6I93 A149 Q150 V151 T155 G156 I157I93-L153 HydrophobicContact CD1-CB 3.66Å; I93-L153 HydrophobicContact CD1-CD1 4.16Å; A149-L153 WeakPolarHBondContact O-CG 3.28Å; Q150-L153 PolarHBondContact O-N 2.85Å; V151-L153 VanDerWaalsContact C-N 3.33Å; V151-L153 PolarHBondContact O-N 3Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.32Å; L153-G156 WeakPolarHBondContact O-CA 3.42Å; L153-G156 PolarHBondContact O-N 3.43Å; L153-G156 VanDerWaalsContact O-N 3.09Å; L153-I157 WeakPolarHBondContact O-CG1 3.25Å; L153-I157 PolarHBondContact O-N 3.26Å
154G98.9Very high98.7Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-58.9-41.4173.500000112.9Q150 V151 G156 I157 A158 N170Q150-G154 PolarHBondContact O-N 3.22Å; V151-G154 PolarHBondContact O-N 2.89Å; G154-G156 VanDerWaalsContact C-N 3.3Å; G154-G156 PolarHBondContact O-N 2.98Å; G154-I157 WeakPolarHBondContact O-CB 3.42Å; G154-I157 PolarHBondContact O-N 3.24Å; G154-I157 VanDerWaalsContact O-N 3.14Å; G154-A158 PolarHBondContact O-N 3.34Å; G154-N170 VanDerWaalsContact C-OD1 3.29Å; G154-N170 WeakPolarHBondContact CA-OD1 3.46Å; G154-N170 PolarHBondContact O-OD1 3.04Å; G154-N170 VanDerWaalsContact O-OD1 3.12Å
155T98.9Very high98.6Very high6 Ų649.4 Ų49.44%0.03727%0.269CS..Hα-helixtrans-61.8-39.2174.1-51.90000111.7V151 P152 L153 A158 F159 V187 A191 L196 F200V151-T155 PolarHBondContact O-N 3.27Å; V151-T155 PolarHBondContact O-OG1 2.85Å; P152-T155 WeakPolarHBondContact O-CB 3.25Å; P152-T155 PolarHBondContact O-N 3.29Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.32Å; T155-A158 PolarHBondContact O-N 2.69Å; T155-F159 PolarHBondContact O-N 3.3Å; T155-V187 HydrophobicContact CG2-CB 4.14Å; T155-V187 WeakPolarHBondContact OG1-CG2 3.42Å; T155-A191 HydrophobicContact CG2-CB 3.98Å; T155-L196 HydrophobicContact CG2-CD1 3.66Å; T155-F200 WeakPolarHBondContact OG1-CE1 3.36Å
156G98.8Very high98.6Very high39 Ų3951.4 Ų51.440%0.40227%0.274SS..Hα-helixtrans-64.1-37.6173.600000113.2P152 L153 G154 F159 A160P152-G156 PolarHBondContact O-N 3.49Å; L153-G156 WeakPolarHBondContact O-CA 3.42Å; L153-G156 PolarHBondContact O-N 3.43Å; L153-G156 VanDerWaalsContact O-N 3.09Å; G154-G156 VanDerWaalsContact C-N 3.3Å; G154-G156 PolarHBondContact O-N 2.98Å; G156-F159 WeakPolarHBondContact O-CB 3.38Å; G156-F159 PolarHBondContact O-N 3.47Å; G156-A160 PolarHBondContact O-N 3.39Å
157I98.8Very high98.5Very high21 Ų2152.4 Ų52.411%0.10827%0.273CS..Hα-helixtrans-65.3-44.6173.9-63.4159000110.3S91 Y141 L153 G154 F159 A160 Y161 N170S91-I157 WeakPolarHBondContact OG-CG2 3.41Å; Y141-I157 HydrophobicContact CD1-CD1 3.47Å; Y141-I157 VanDerWaalsContact CD1-CD1 3.47Å; Y141-I157 HydrophobicContact CD1-CG1 4.15Å; Y141-I157 HydrophobicContact CD2-CD1 3.71Å; Y141-I157 HydrophobicContact CE1-CD1 3.87Å; Y141-I157 HydrophobicContact CE1-CG1 4.08Å; Y141-I157 HydrophobicContact CE2-CD1 4.12Å; Y141-I157 HydrophobicContact CE2-CG2 4.17Å; Y141-I157 HydrophobicContact CG-CD1 3.36Å; Y141-I157 HydrophobicContact CG-CG1 4.43Å; L153-I157 WeakPolarHBondContact O-CG1 3.25Å; L153-I157 PolarHBondContact O-N 3.26Å; G154-I157 WeakPolarHBondContact O-CB 3.42Å; G154-I157 PolarHBondContact O-N 3.24Å; G154-I157 VanDerWaalsContact O-N 3.14Å; I157-F159 VanDerWaalsContact C-N 3.3Å; I157-F159 PolarHBondContact O-N 2.99Å; I157-A160 WeakPolarHBondContact O-CA 3.29Å; I157-A160 WeakPolarHBondContact O-CB 3.45Å; I157-A160 PolarHBondContact O-N 3.39Å; I157-Y161 HydrophobicContact CG2-CD2 4.44Å; I157-Y161 HydrophobicContact CG2-CE2 3.91Å; I157-Y161 PolarHBondContact O-N 3.1Å; I157-N170 HydrophobicContact CB-CB 4.35Å; I157-N170 HydrophobicContact CG2-CB 4.19Å
158A98.8Very high98.5Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-60.4-39.4173.900000112.4G154 T155 A160 Y161 K162 N170 L196 P197 C198G154-A158 PolarHBondContact O-N 3.34Å; T155-A158 PolarHBondContact O-N 2.69Å; A158-A160 VanDerWaalsContact C-N 3.32Å; A158-A160 PolarHBondContact O-N 3.02Å; A158-Y161 PolarHBondContact O-N 2.91Å; A158-K162 PolarHBondContact O-N 3.45Å; A158-K162 VanDerWaalsContact O-N 3.09Å; A158-N170 HydrophobicContact CB-CB 4.03Å; A158-L196 HydrophobicContact CB-CB 4.3Å; A158-P197 HydrophobicContact CB-CG 4.34Å; A158-P197 WeakPolarHBondContact CB-O 3.44Å; A158-P197 WeakPolarHBondContact O-CD 3.37Å; A158-P197 WeakPolarHBondContact O-CG 3.38Å; A158-C198 HydrophobicContact CB-CB 3.6Å
159F98.8Very high98.5Very high90 Ų9051.3 Ų51.340%0.39527%0.266SS..Hα-helixtrans-58.9-45.1171.8176.7-87.6000111.1T155 G156 I157 Y161 K162 Y163 W194 L196T155-F159 PolarHBondContact O-N 3.3Å; G156-F159 WeakPolarHBondContact O-CB 3.38Å; G156-F159 PolarHBondContact O-N 3.47Å; I157-F159 VanDerWaalsContact C-N 3.3Å; I157-F159 PolarHBondContact O-N 2.99Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; F159-Y161 PolarHBondContact O-N 2.6Å; F159-K162 PolarHBondContact O-N 2.92Å; F159-Y163 AromaticContact CE1-CD2 3.84Å; F159-Y163 HydrophobicContact CE1-CD2 3.84Å; F159-Y163 HydrophobicContact CE1-CG 4.25Å; F159-Y163 AromaticContact CZ-CD2 3.89Å; F159-Y163 HydrophobicContact CZ-CD2 3.89Å; F159-Y163 VanDerWaalsContact O-CB 3.3Å; F159-Y163 WeakPolarHBondContact O-CB 3.33Å; F159-Y163 PolarHBondContact O-N 3.1Å; F159-W194 HydrophobicContact CD2-CE3 4.09Å; F159-W194 HydrophobicContact CD2-CZ3 4.39Å; F159-W194 HydrophobicContact CE2-CE3 4.49Å; F159-L196 HydrophobicContact CB-CD1 3.96Å; F159-L196 HydrophobicContact CB-CD2 4.26Å; F159-L196 HydrophobicContact CD2-CD2 4.07Å
160A98.8Very high98.5Very high26 Ų2650.1 Ų50.122%0.21526%0.256CS..Hα-helixtrans-62-40179.100000112.4G156 I157 A158 Y163 R164G156-A160 PolarHBondContact O-N 3.39Å; I157-A160 WeakPolarHBondContact O-CA 3.29Å; I157-A160 WeakPolarHBondContact O-CB 3.45Å; I157-A160 PolarHBondContact O-N 3.39Å; A158-A160 VanDerWaalsContact C-N 3.32Å; A158-A160 PolarHBondContact O-N 3.02Å; A160-Y163 PolarHBondContact O-N 3.11Å; A160-R164 WeakPolarHBondContact O-CG 3.18Å; A160-R164 PolarHBondContact O-N 3.47Å
161Y98.5Very high98.5Very high4 Ų450.2 Ų50.22%0.01626%0.256CS..Hα-helixtrans-58.4-50.5172.2-67.3-36.2000111.9G89 S91 I157 A158 F159 Y163 R164 G165 E166 N168 N170G89-Y161 PolarHBondContact O-OH 2.98Å; S91-Y161 WeakPolarHBondContact CB-OH 3.48Å; S91-Y161 PolarHBondContact N-OH 3.37Å; S91-Y161 WeakPolarHBondContact OG-CE2 3.45Å; S91-Y161 PolarHBondContact OG-OH 3.1Å; I157-Y161 HydrophobicContact CG2-CD2 4.44Å; I157-Y161 HydrophobicContact CG2-CE2 3.91Å; I157-Y161 PolarHBondContact O-N 3.1Å; A158-Y161 PolarHBondContact O-N 2.91Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; F159-Y161 PolarHBondContact O-N 2.6Å; Y161-Y163 VanDerWaalsContact C-N 3.31Å; Y161-Y163 PolarHBondContact O-N 2.92Å; Y161-R164 PolarHBondContact O-N 3.01Å; Y161-G165 PolarHBondContact O-N 3.12Å; Y161-G165 VanDerWaalsContact O-N 3.12Å; Y161-E166 HydrophobicContact CD1-CB 4.24Å; Y161-E166 WeakPolarHBondContact CD1-OE2 3.49Å; Y161-E166 PolarHBondContact O-N 3.46Å; Y161-N168 HydrophobicContact CD1-CB 3.86Å; Y161-N168 HydrophobicContact CD2-CB 3.92Å; Y161-N168 WeakPolarHBondContact CD2-O 3.31Å; Y161-N168 HydrophobicContact CE1-CB 3.71Å; Y161-N168 HydrophobicContact CE2-CB 3.8Å; Y161-N168 HydrophobicContact CG-CB 3.95Å; Y161-N170 HydrophobicContact CE2-CB 4.2Å
162K98.3Very high98.5Very high105 Ų10550.2 Ų50.246%0.45726%0.256SS..Hα-helixtrans-59.7-43.7176.8-175.4178179-177.20111.8A158 F159 R164 G165 W194 L196A158-K162 PolarHBondContact O-N 3.45Å; A158-K162 VanDerWaalsContact O-N 3.09Å; F159-K162 PolarHBondContact O-N 2.92Å; K162-R164 VanDerWaalsContact C-N 3.33Å; K162-R164 PolarHBondContact O-N 3.1Å; K162-G165 PolarHBondContact O-N 3.1Å; K162-G165 VanDerWaalsContact O-N 3.16Å; K162-W194 PolarHBondContact NZ-O 2.95Å; K162-L196 HydrophobicContact CB-CD2 4.36Å; K162-L196 HydrophobicContact CD-CD2 3.81Å
163Y98.5Very high98.5Very high184 Ų18448.5 Ų48.572%0.72225%0.245SC*.Hα-helixtrans-62.2-39.9-178.4-170.3-87.1000112F159 A160 Y161 G165F159-Y163 AromaticContact CE1-CD2 3.84Å; F159-Y163 HydrophobicContact CE1-CD2 3.84Å; F159-Y163 HydrophobicContact CE1-CG 4.25Å; F159-Y163 AromaticContact CZ-CD2 3.89Å; F159-Y163 HydrophobicContact CZ-CD2 3.89Å; F159-Y163 VanDerWaalsContact O-CB 3.3Å; F159-Y163 WeakPolarHBondContact O-CB 3.33Å; F159-Y163 PolarHBondContact O-N 3.1Å; A160-Y163 PolarHBondContact O-N 3.11Å; Y161-Y163 VanDerWaalsContact C-N 3.31Å; Y161-Y163 PolarHBondContact O-N 2.92Å; Y163-G165 VanDerWaalsContact C-N 3.3Å
164R98.5Very high98.5Very high134 Ų13444 Ų4451%0.50622%0.221SC..Hα-helixtrans-83.7-0.9177.5-64.4-169.1-57.8-99.4-5.7114A160 Y161 K162 E166A160-R164 WeakPolarHBondContact O-CG 3.18Å; A160-R164 PolarHBondContact O-N 3.47Å; Y161-R164 PolarHBondContact O-N 3.01Å; K162-R164 VanDerWaalsContact C-N 3.33Å; K162-R164 PolarHBondContact O-N 3.1Å; R164-E166 HydrophobicContact CB-CG 4.14Å; R164-E166 WeakPolarHBondContact CB-OE1 3.44Å; R164-E166 WeakPolarHBondContact CD-OE1 3.41Å; R164-E166 IonicContact CZ-OE1 3.67Å; R164-E166 IonicContact CZ-OE2 3.37Å; R164-E166 IonicContact NE-OE1 3.88Å; R164-E166 PolarHBondContact NE-OE1 2.92Å; R164-E166 IonicContact NE-OE2 2.72Å; R164-E166 PolarHBondContact NE-OE2 2.5Å; R164-E166 IonicContact NH2-OE1 3.6Å; R164-E166 IonicContact NH2-OE2 2.98Å; R164-E166 PolarHBondContact NH2-OE2 3.16Å; R164-E166 PolarHBondContact O-N 2.81Å
165G97.1Very high98.5Very high62 Ų6245.1 Ų45.164%0.63923%0.233SC*.THydrogen-bonded Turntrans70.418.7-176.900000113.9Y161 K162 Y163Y161-G165 PolarHBondContact O-N 3.12Å; Y161-G165 VanDerWaalsContact O-N 3.12Å; K162-G165 PolarHBondContact O-N 3.1Å; K162-G165 VanDerWaalsContact O-N 3.16Å; Y163-G165 VanDerWaalsContact C-N 3.3Å
166E97.7Very high98.5Very high70 Ų7045 Ų4533%0.32723%0.232SC..  trans-76.3145.2178-73.1164.3-155.600110.3Y161 R164 N168Y161-E166 HydrophobicContact CD1-CB 4.24Å; Y161-E166 WeakPolarHBondContact CD1-OE2 3.49Å; Y161-E166 PolarHBondContact O-N 3.46Å; R164-E166 HydrophobicContact CB-CG 4.14Å; R164-E166 WeakPolarHBondContact CB-OE1 3.44Å; R164-E166 WeakPolarHBondContact CD-OE1 3.41Å; R164-E166 IonicContact CZ-OE1 3.67Å; R164-E166 IonicContact CZ-OE2 3.37Å; R164-E166 IonicContact NE-OE1 3.88Å; R164-E166 PolarHBondContact NE-OE1 2.92Å; R164-E166 IonicContact NE-OE2 2.72Å; R164-E166 PolarHBondContact NE-OE2 2.5Å; R164-E166 IonicContact NH2-OE1 3.6Å; R164-E166 IonicContact NH2-OE2 2.98Å; R164-E166 PolarHBondContact NH2-OE2 3.16Å; R164-E166 PolarHBondContact O-N 2.81Å; E166-N168 PolarHBondContact O-N 3.19Å
167K97.1Very high98.5Very high144 Ų14444.5 Ų44.563%0.62623%0.227SC*.  trans-89.612.5177.9-67-63-172177.10112.9R254K167-R254 HydrophobicContact CB-CG 4.03Å; K167-R254 HydrophobicContact CD-CG 4.35Å; K167-R254 VanDerWaalsContact O-CD 3.29Å; K167-R254 WeakPolarHBondContact O-CD 3.24Å; K167-R254 VanDerWaalsContact O-CG 3.25Å; K167-R254 WeakPolarHBondContact O-CG 3.28Å; K167-R254 PolarHBondContact O-NE 3.39Å
168N98.6Very high98.5Very high33 Ų3343.8 Ų43.818%0.17622%0.224CC..  trans-80.1154.6179.7-58.8102.2000111.6D88 G89 D90 Y161 E166D88-N168 PolarHBondContact O-ND2 3.25Å; G89-N168 VanDerWaalsContact CA-ND2 3.28Å; G89-N168 WeakPolarHBondContact CA-ND2 3.2Å; G89-N168 PolarHBondContact O-ND2 3.45Å; D90-N168 PolarHBondContact N-ND2 3.23Å; D90-N168 WeakPolarHBondContact OD1-CA 3.43Å; Y161-N168 HydrophobicContact CD1-CB 3.86Å; Y161-N168 HydrophobicContact CD2-CB 3.92Å; Y161-N168 WeakPolarHBondContact CD2-O 3.31Å; Y161-N168 HydrophobicContact CE1-CB 3.71Å; Y161-N168 HydrophobicContact CE2-CB 3.8Å; Y161-N168 HydrophobicContact CG-CB 3.95Å; E166-N168 PolarHBondContact O-N 3.19Å
169V98.8Very high98.5Very high0 Ų043.9 Ų43.90%023%0.225CC..  trans-118.7139.7-179.4177.70000108.8D90 S91 F171 P197 V199 C253 R254D90-V169 WeakPolarHBondContact CA-O 3.42Å; D90-V169 WeakPolarHBondContact CB-O 3.44Å; D90-V169 PolarHBondContact OD1-N 3.06Å; S91-V169 PolarHBondContact N-O 3.11Å; V169-F171 HydrophobicContact CB-CE2 4.25Å; V169-F171 HydrophobicContact CG1-CD2 4.43Å; V169-F171 HydrophobicContact CG1-CE2 4.01Å; V169-F171 HydrophobicContact CG1-CZ 4.19Å; V169-P197 WeakPolarHBondContact CA-O 3.45Å; V169-P197 HydrophobicContact CG2-CB 4.26Å; V169-V199 HydrophobicContact CG1-CG2 3.71Å; V169-C253 HydrophobicContact CG1-CB 3.99Å; V169-C253 HydrophobicContact CG2-CB 3.85Å; V169-R254 HydrophobicContact CG2-CB 4.21Å
170N98.9Very high98.5Very high0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-96.8133167.5-177-96.6000110.1S91 G154 I157 A158 Y161 P197 C198 V199S91-N170 PolarHBondContact OG-ND2 3.29Å; G154-N170 VanDerWaalsContact C-OD1 3.29Å; G154-N170 WeakPolarHBondContact CA-OD1 3.46Å; G154-N170 PolarHBondContact O-OD1 3.04Å; G154-N170 VanDerWaalsContact O-OD1 3.12Å; I157-N170 HydrophobicContact CB-CB 4.35Å; I157-N170 HydrophobicContact CG2-CB 4.19Å; A158-N170 HydrophobicContact CB-CB 4.03Å; Y161-N170 HydrophobicContact CE2-CB 4.2Å; N170-P197 PolarHBondContact N-O 3.21Å; N170-P197 VanDerWaalsContact N-O 3.08Å; N170-C198 WeakPolarHBondContact O-CA 3.22Å; N170-V199 PolarHBondContact O-N 2.87Å
171F98.9Very high98.5Very high2 Ų244.9 Ų44.91%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-99.6108.2168.8-64-94.5000108.3M82 M86 D90 S91 V92 I93 V169 L173 V199 V201 T246M82-F171 HydrophobicContact CE-CB 4.02Å; M82-F171 HydrophobicContact CE-CD1 3.69Å; M82-F171 HydrophobicContact CE-CG 4.07Å; M86-F171 HydrophobicContact CE-CD2 4.01Å; M86-F171 HydrophobicContact CE-CE2 4.34Å; M86-F171 HydrophobicContact CG-CD2 3.97Å; M86-F171 HydrophobicContact CG-CE2 3.61Å; M86-F171 HydrophobicContact CG-CZ 4.09Å; M86-F171 HydrophobicContact SD-CD2 4.16Å; M86-F171 HydrophobicContact SD-CE2 4.4Å; D90-F171 HydrophobicContact CB-CE2 4.17Å; S91-F171 PolarHBondContact O-N 3.02Å; V92-F171 HydrophobicContact CG2-CB 4.1Å; I93-F171 PolarHBondContact N-O 2.91Å; I93-F171 VanDerWaalsContact N-O 3.12Å; V169-F171 HydrophobicContact CB-CE2 4.25Å; V169-F171 HydrophobicContact CG1-CD2 4.43Å; V169-F171 HydrophobicContact CG1-CE2 4.01Å; V169-F171 HydrophobicContact CG1-CZ 4.19Å; F171-L173 HydrophobicContact CB-CD1 4.32Å; F171-L173 WeakPolarHBondContact O-CD1 3.45Å; F171-V199 WeakPolarHBondContact CA-O 3.42Å; F171-V199 HydrophobicContact CD1-CB 3.63Å; F171-V199 HydrophobicContact CD1-CG1 3.94Å; F171-V199 HydrophobicContact CD1-CG2 4.06Å; F171-V199 HydrophobicContact CE1-CB 3.85Å; F171-V199 HydrophobicContact CE1-CG1 4.09Å; F171-V199 HydrophobicContact CE1-CG2 3.76Å; F171-V199 HydrophobicContact CG-CB 4.39Å; F171-V199 HydrophobicContact CZ-CG2 4.33Å; F171-V201 HydrophobicContact CD1-CG2 4.25Å; F171-T246 HydrophobicContact CD1-CG2 4.33Å; F171-T246 HydrophobicContact CE1-CG2 3.57Å; F171-T246 HydrophobicContact CZ-CG2 3.73Å
172A98.9Very high98.5Very high0 Ų046.9 Ų46.90%025%0.25CS..EExtended strand (participates in β ladder)trans-100.7100-178.100000109.9I93 V199 F200 V201I93-A172 HydrophobicContact CG2-CB 4.27Å; A172-V199 PolarHBondContact N-O 2.95Å; A172-F200 HydrophobicContact CB-CD1 4.43Å; A172-V201 PolarHBondContact O-N 2.68Å
173L98.9Very high98.6Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-89.1145.4-173.5-67.593.3000113.1M82 V92 I93 T94 W101 Q150 F171 V201 E203M82-L173 HydrophobicContact CE-CD1 4.45Å; M82-L173 HydrophobicContact CE-CD2 4.44Å; M82-L173 HydrophobicContact SD-CD2 4.11Å; V92-L173 HydrophobicContact CG1-CD1 3.55Å; I93-L173 WeakPolarHBondContact O-CD1 3.49Å; I93-L173 PolarHBondContact O-N 3.1Å; T94-L173 WeakPolarHBondContact OG1-CB 3.43Å; W101-L173 HydrophobicContact CH2-CD1 4.3Å; W101-L173 HydrophobicContact CH2-CD2 4.17Å; W101-L173 HydrophobicContact CZ2-CD1 4.07Å; W101-L173 HydrophobicContact CZ2-CD2 3.27Å; W101-L173 HydrophobicContact CZ2-CG 4.32Å; Q150-L173 WeakPolarHBondContact CG-O 3.4Å; Q150-L173 PolarHBondContact NE2-O 3.35Å; F171-L173 HydrophobicContact CB-CD1 4.32Å; F171-L173 WeakPolarHBondContact O-CD1 3.45Å; L173-V201 CarbonylContact C-O 3.56Å; L173-V201 VanDerWaalsContact CA-O 3.3Å; L173-V201 WeakPolarHBondContact CA-O 3.41Å; L173-V201 HydrophobicContact CD2-CG1 4.19Å; L173-V201 HydrophobicContact CG-CB 3.98Å; L173-V201 HydrophobicContact CG-CG1 4.19Å; L173-E203 HydrophobicContact CD2-CG 4.02Å
174Y98.9Very high98.6Very high4 Ų435.8 Ų35.82%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-153157.6173.159-85.3000110.8V151 A178 A179 I184 M188 F200 V201 C202 E203V151-Y174 HydrophobicContact CG1-CD1 4.48Å; V151-Y174 HydrophobicContact CG2-CD1 3.64Å; V151-Y174 HydrophobicContact CG2-CG 3.93Å; Y174-A178 HydrophobicContact CD2-CB 4.47Å; Y174-A179 HydrophobicContact CD2-CB 4.09Å; Y174-A179 HydrophobicContact CE2-CB 3.74Å; Y174-I184 HydrophobicContact CD1-CD1 4.45Å; Y174-I184 HydrophobicContact CD2-CD1 3.86Å; Y174-I184 HydrophobicContact CE2-CD1 4.28Å; Y174-I184 HydrophobicContact CG-CD1 3.96Å; Y174-M188 WeakPolarHBondContact OH-CE 3.28Å; Y174-F200 HydrophobicContact CE1-CB 4.05Å; Y174-V201 WeakPolarHBondContact CD1-O 3.28Å; Y174-V201 PolarHBondContact N-O 2.96Å; Y174-C202 HydrophobicContact CD2-CB 4.24Å; Y174-C202 HydrophobicContact CE2-CB 3.59Å; Y174-C202 CarbonylContact O-C 3.56Å; Y174-C202 VanDerWaalsContact O-CA 3.27Å; Y174-C202 WeakPolarHBondContact O-CA 3.21Å; Y174-E203 PolarHBondContact O-N 2.9Å
175G98.9Very high98.6Very high23 Ų2332.8 Ų32.824%0.23720%0.196CC..EExtended strand (participates in β ladder)trans-87.3168.3177.900000113.7G177 A178 A179 E203G175-G177 VanDerWaalsContact C-N 3.33Å; G175-G177 PolarHBondContact O-N 3.46Å; G175-A178 CarbonylContact O-C 2.99Å; G175-A178 WeakPolarHBondContact O-CA 3.38Å; G175-A178 VanDerWaalsContact O-CB 3.31Å; G175-A178 WeakPolarHBondContact O-CB 3.46Å; G175-A178 PolarHBondContact O-N 3.33Å; G175-A179 PolarHBondContact O-N 3.31Å; G175-E203 WeakPolarHBondContact CA-O 3.48Å
176D98.9Very high98.7Very high3 Ų335.9 Ų35.92%0.01619%0.194CC..THydrogen-bonded Turntrans-53.5-44.3175.151.8-93.7000113.5A178 A179 E203 N204 N205 G208 V213 Y222D176-A178 VanDerWaalsContact C-N 3.29Å; D176-A178 PolarHBondContact O-N 3.46Å; D176-A179 VanDerWaalsContact O-CB 3.23Å; D176-A179 WeakPolarHBondContact O-CB 3.19Å; D176-A179 PolarHBondContact O-N 3.37Å; D176-A179 VanDerWaalsContact O-N 3.17Å; D176-E203 PolarHBondContact N-O 2.65Å; D176-N204 HydrophobicContact CB-CB 4.37Å; D176-N205 PolarHBondContact OD1-N 2.94Å; D176-N205 PolarHBondContact OD1-OD1 3.37Å; D176-G208 PolarHBondContact OD2-N 3.3Å; D176-V213 HydrophobicContact CB-CG1 3.79Å; D176-Y222 HydrophobicContact CB-CE1 4.23Å; D176-Y222 HydrophobicContact CB-CE2 3.89Å
177G98.6Very high98.7Very high29 Ų2932.9 Ų32.930%0.29918%0.18SC..THydrogen-bonded Turntrans-64.5-31.417400000113.6G175 A179G175-G177 VanDerWaalsContact C-N 3.33Å; G175-G177 PolarHBondContact O-N 3.46Å; G177-A179 VanDerWaalsContact C-N 3.31Å
178A98.8Very high98.8Very high7 Ų726.2 Ų26.26%0.05815%0.151CC..G310 helixtrans-73.4-24.6176.200000112.1V147 Y174 G175 D176 N180 Q181 I184V147-A178 HydrophobicContact CG1-CB 3.49Å; V147-A178 VanDerWaalsContact CG1-CB 3.49Å; Y174-A178 HydrophobicContact CD2-CB 4.47Å; G175-A178 CarbonylContact O-C 2.99Å; G175-A178 WeakPolarHBondContact O-CA 3.38Å; G175-A178 VanDerWaalsContact O-CB 3.31Å; G175-A178 WeakPolarHBondContact O-CB 3.46Å; G175-A178 PolarHBondContact O-N 3.33Å; D176-A178 VanDerWaalsContact C-N 3.29Å; D176-A178 PolarHBondContact O-N 3.46Å; A178-N180 PolarHBondContact O-N 3.42Å; A178-Q181 VanDerWaalsContact O-CB 3.26Å; A178-Q181 WeakPolarHBondContact O-CB 3.23Å; A178-Q181 WeakPolarHBondContact O-CG 3.46Å; A178-Q181 PolarHBondContact O-N 3.34Å; A178-I184 WeakPolarHBondContact O-CD1 3.37Å
179A98.8Very high98.8Very high2 Ų228.5 Ų28.52%0.01716%0.164CC..G310 helixtrans-61.1-9.6-177.300000114.4Y174 G175 D176 G177 Y185 Y222Y174-A179 HydrophobicContact CD2-CB 4.09Å; Y174-A179 HydrophobicContact CE2-CB 3.74Å; G175-A179 PolarHBondContact O-N 3.31Å; D176-A179 VanDerWaalsContact O-CB 3.23Å; D176-A179 WeakPolarHBondContact O-CB 3.19Å; D176-A179 PolarHBondContact O-N 3.37Å; D176-A179 VanDerWaalsContact O-N 3.17Å; G177-A179 VanDerWaalsContact C-N 3.31Å; A179-Y185 WeakPolarHBondContact O-CE2 3.29Å; A179-Y185 PolarHBondContact O-OH 3.37Å; A179-Y222 HydrophobicContact CB-CD1 3.53Å; A179-Y222 HydrophobicContact CB-CE1 3.7Å
180N98.7Very high98.8Very high60 Ų6031.6 Ų31.632%0.32118%0.179SC..G310 helixtrans-99.55.8174.6-60.9-46.5000113.5A178 S216 S217 R225A178-N180 PolarHBondContact O-N 3.42Å; N180-S216 PolarHBondContact ND2-O 3.4Å; N180-S216 VanDerWaalsContact ND2-O 3.13Å; N180-S217 PolarHBondContact ND2-OG 3.04Å; N180-R225 PolarHBondContact OD1-NH1 2.88Å; N180-R225 PolarHBondContact OD1-NH2 2.89Å
181Q98.9Very high98.8Very high76 Ų7631.6 Ų31.636%0.35518%0.179SC..  trans-72.9126.8174.3-73.9-69.7-30.400111.1V147 A178 Q183 I184 Y185V147-Q181 HydrophobicContact CG1-CG 4.23Å; V147-Q181 WeakPolarHBondContact O-CG 3.36Å; A178-Q181 VanDerWaalsContact O-CB 3.26Å; A178-Q181 WeakPolarHBondContact O-CB 3.23Å; A178-Q181 WeakPolarHBondContact O-CG 3.46Å; A178-Q181 PolarHBondContact O-N 3.34Å; Q181-Q183 VanDerWaalsContact C-N 3.31Å; Q181-Q183 HydrophobicContact CB-CG 4.32Å; Q181-Q183 PolarHBondContact O-N 3.2Å; Q181-I184 HydrophobicContact CB-CD1 4.18Å; Q181-I184 HydrophobicContact CB-CG1 4.14Å; Q181-I184 WeakPolarHBondContact O-CB 3.3Å; Q181-I184 PolarHBondContact O-N 2.96Å; Q181-I184 VanDerWaalsContact O-N 3.09Å; Q181-Y185 WeakPolarHBondContact O-CD2 3.45Å
182G98.8Very high98.8Very high46 Ų4634.5 Ų34.547%0.47419%0.191SC..Hα-helixtrans-56.1-42.6-176.400000113.6I184 Y185 E186G182-I184 PolarHBondContact O-N 3.26Å; G182-Y185 WeakPolarHBondContact O-CB 3.44Å; G182-Y185 PolarHBondContact O-N 3.04Å; G182-E186 PolarHBondContact O-N 3.2Å
183Q98.8Very high98.8Very high55 Ų5540.3 Ų40.326%0.25722%0.222SC..Hα-helixtrans-56.8-26.1179.166.8-172.7-52.500113.9P152 Q181 Y185 E186 V187P152-Q183 HydrophobicContact CG-CB 4.07Å; P152-Q183 HydrophobicContact CG-CG 4.08Å; Q181-Q183 VanDerWaalsContact C-N 3.31Å; Q181-Q183 HydrophobicContact CB-CG 4.32Å; Q181-Q183 PolarHBondContact O-N 3.2Å; Q183-Y185 VanDerWaalsContact C-N 3.33Å; Q183-E186 PolarHBondContact O-N 2.65Å; Q183-V187 WeakPolarHBondContact O-CG2 3.13Å; Q183-V187 PolarHBondContact O-N 3.45Å; Q183-V187 VanDerWaalsContact O-N 3.16Å
184I98.8Very high98.8Very high2 Ų245.5 Ų45.51%0.0124%0.241CC..Hα-helixtrans-65.1-40.9175.7-63.6-175.7000110.3V151 Y174 A178 Q181 G182 V187 M188V151-I184 HydrophobicContact CB-CG1 3.97Å; V151-I184 HydrophobicContact CG1-CG1 4.15Å; V151-I184 HydrophobicContact CG1-CG2 4.22Å; V151-I184 HydrophobicContact CG2-CD1 3.93Å; V151-I184 HydrophobicContact CG2-CG1 3.93Å; Y174-I184 HydrophobicContact CD1-CD1 4.45Å; Y174-I184 HydrophobicContact CD2-CD1 3.86Å; Y174-I184 HydrophobicContact CE2-CD1 4.28Å; Y174-I184 HydrophobicContact CG-CD1 3.96Å; A178-I184 WeakPolarHBondContact O-CD1 3.37Å; Q181-I184 HydrophobicContact CB-CD1 4.18Å; Q181-I184 HydrophobicContact CB-CG1 4.14Å; Q181-I184 WeakPolarHBondContact O-CB 3.3Å; Q181-I184 PolarHBondContact O-N 2.96Å; Q181-I184 VanDerWaalsContact O-N 3.09Å; G182-I184 PolarHBondContact O-N 3.26Å; I184-V187 WeakPolarHBondContact O-CG2 2.81Å; I184-V187 PolarHBondContact O-N 2.88Å; I184-M188 HydrophobicContact CG2-CE 3.62Å; I184-M188 HydrophobicContact CG2-CG 4.42Å; I184-M188 HydrophobicContact CG2-SD 4.04Å; I184-M188 WeakPolarHBondContact O-CB 3.24Å; I184-M188 VanDerWaalsContact O-CG 3.23Å; I184-M188 WeakPolarHBondContact O-CG 3.49Å; I184-M188 PolarHBondContact O-N 2.84Å
185Y98.7Very high98.7Very high71 Ų7151.6 Ų51.628%0.27827%0.268SS..Hα-helixtrans-73-35.1-179.9-61.8-87000112.1A179 Q181 G182 Q183 N189 R225A179-Y185 WeakPolarHBondContact O-CE2 3.29Å; A179-Y185 PolarHBondContact O-OH 3.37Å; Q181-Y185 WeakPolarHBondContact O-CD2 3.45Å; G182-Y185 WeakPolarHBondContact O-CB 3.44Å; G182-Y185 PolarHBondContact O-N 3.04Å; Q183-Y185 VanDerWaalsContact C-N 3.33Å; Y185-N189 PolarHBondContact O-N 3.17Å; Y185-R225 HydrophobicContact CE1-CB 4.48Å; Y185-R225 WeakPolarHBondContact CE1-O 3.21Å; Y185-R225 PolarHBondContact OH-NE 3.34Å; Y185-R225 PolarHBondContact OH-NH2 3.34Å
186E98.9Very high98.7Very high127 Ų12750.5 Ų50.559%0.59326%0.257SS*.Hα-helixtrans-58.7-48.5173.2-64178175.800111G182 Q183 N189 M190G182-E186 PolarHBondContact O-N 3.2Å; Q183-E186 PolarHBondContact O-N 2.65Å; E186-N189 WeakPolarHBondContact O-CB 3.19Å; E186-N189 PolarHBondContact O-N 3.15Å; E186-M190 PolarHBondContact O-N 3.07Å; E186-M190 VanDerWaalsContact O-N 3.16Å
187V98.8Very high98.7Very high7 Ų751 Ų514%0.04226%0.26CS..Hα-helixtrans-79.2-26.3-177.5-55.40000113.4V151 P152 T155 Q183 I184 M190 A191 F200V151-V187 HydrophobicContact CG1-CG2 3.92Å; P152-V187 HydrophobicContact CB-CG1 3.67Å; P152-V187 HydrophobicContact CG-CG1 3.71Å; P152-V187 HydrophobicContact CG-CG2 4.33Å; T155-V187 HydrophobicContact CG2-CB 4.14Å; T155-V187 WeakPolarHBondContact OG1-CG2 3.42Å; Q183-V187 WeakPolarHBondContact O-CG2 3.13Å; Q183-V187 PolarHBondContact O-N 3.45Å; Q183-V187 VanDerWaalsContact O-N 3.16Å; I184-V187 WeakPolarHBondContact O-CG2 2.81Å; I184-V187 PolarHBondContact O-N 2.88Å; V187-M190 HydrophobicContact CB-CE 4.26Å; V187-M190 HydrophobicContact CG1-CE 3.66Å; V187-M190 PolarHBondContact O-N 2.89Å; V187-A191 WeakPolarHBondContact O-CB 3.33Å; V187-A191 PolarHBondContact O-N 3.06Å; V187-F200 HydrophobicContact CG2-CE1 4.13Å
188M98.7Very high98.7Very high3 Ų349.7 Ų49.72%0.01525%0.246CC..Hα-helixtrans-59.2-47.4166.4-82-179.5178.700110.9Y174 I184 M190 A191 K192 F200 I229 V261Y174-M188 WeakPolarHBondContact OH-CE 3.28Å; I184-M188 HydrophobicContact CG2-CE 3.62Å; I184-M188 HydrophobicContact CG2-CG 4.42Å; I184-M188 HydrophobicContact CG2-SD 4.04Å; I184-M188 WeakPolarHBondContact O-CB 3.24Å; I184-M188 VanDerWaalsContact O-CG 3.23Å; I184-M188 WeakPolarHBondContact O-CG 3.49Å; I184-M188 PolarHBondContact O-N 2.84Å; M188-M190 PolarHBondContact O-N 3.25Å; M188-A191 PolarHBondContact O-N 2.95Å; M188-K192 PolarHBondContact O-N 3Å; M188-F200 HydrophobicContact CE-CB 3.88Å; M188-F200 HydrophobicContact CE-CD1 4.38Å; M188-F200 HydrophobicContact CE-CD2 4.32Å; M188-F200 HydrophobicContact CE-CG 3.95Å; M188-F200 HydrophobicContact CG-CD1 4.47Å; M188-F200 HydrophobicContact CG-CD2 4.03Å; M188-F200 HydrophobicContact CG-CE1 4.35Å; M188-F200 HydrophobicContact CG-CE2 3.89Å; M188-F200 HydrophobicContact CG-CG 4.31Å; M188-F200 HydrophobicContact CG-CZ 4.06Å; M188-I229 HydrophobicContact CB-CD1 3.53Å; M188-I229 HydrophobicContact CG-CD1 3.78Å; M188-I229 WeakPolarHBondContact O-CD1 3.35Å; M188-V261 HydrophobicContact CE-CG2 3.89Å
189N98.8Very high98.7Very high82 Ų8249.4 Ų49.444%0.43924%0.244SC..Hα-helixtrans-56.8-51.2175.7-178.759.1000111.9Y185 E186 A191 K192 L193 Y228Y185-N189 PolarHBondContact O-N 3.17Å; E186-N189 WeakPolarHBondContact O-CB 3.19Å; E186-N189 PolarHBondContact O-N 3.15Å; N189-A191 PolarHBondContact O-N 3.24Å; N189-K192 PolarHBondContact O-N 3.05Å; N189-L193 VanDerWaalsContact O-CB 3.32Å; N189-L193 WeakPolarHBondContact O-CB 3.47Å; N189-L193 PolarHBondContact O-N 3.37Å; N189-Y228 WeakPolarHBondContact CA-OH 3.41Å; N189-Y228 WeakPolarHBondContact CB-OH 3.36Å; N189-Y228 PolarHBondContact OD1-OH 3.37Å
190M98.8Very high98.7Very high65 Ų6549.3 Ų49.332%0.3224%0.243SC..Hα-helixtrans-63.3-43.3179.4-69.5-171.7-70.200112.5E186 V187 M188 K192 L193 W194E186-M190 PolarHBondContact O-N 3.07Å; E186-M190 VanDerWaalsContact O-N 3.16Å; V187-M190 HydrophobicContact CB-CE 4.26Å; V187-M190 HydrophobicContact CG1-CE 3.66Å; V187-M190 PolarHBondContact O-N 2.89Å; M188-M190 PolarHBondContact O-N 3.25Å; M190-K192 VanDerWaalsContact C-N 3.29Å; M190-K192 PolarHBondContact O-N 3.04Å; M190-L193 PolarHBondContact O-N 3.11Å; M190-W194 HydrophobicContact CB-CE3 4.1Å; M190-W194 HydrophobicContact CB-CH2 4.11Å; M190-W194 HydrophobicContact CB-CZ3 3.88Å; M190-W194 HydrophobicContact CG-CH2 4.13Å; M190-W194 HydrophobicContact CG-CZ2 4.45Å; M190-W194 HydrophobicContact CG-CZ3 4.39Å; M190-W194 WeakPolarHBondContact O-CB 3.18Å; M190-W194 PolarHBondContact O-N 2.64Å; M190-W194 HydrophobicContact SD-CH2 3.69Å; M190-W194 HydrophobicContact SD-CZ2 4.39Å; M190-W194 HydrophobicContact SD-CZ3 4.14Å
191A98.8Very high98.8Very high0 Ų046.5 Ų46.50%023%0.228CC..Hα-helixtrans-60.3-40.9178.100000111.5T155 V187 M188 N189 K195 L196 F200 P259T155-A191 HydrophobicContact CG2-CB 3.98Å; V187-A191 WeakPolarHBondContact O-CB 3.33Å; V187-A191 PolarHBondContact O-N 3.06Å; M188-A191 PolarHBondContact O-N 2.95Å; N189-A191 PolarHBondContact O-N 3.24Å; A191-K195 WeakPolarHBondContact O-CA 3.34Å; A191-K195 PolarHBondContact O-N 2.86Å; A191-L196 HydrophobicContact CB-CB 4.24Å; A191-L196 HydrophobicContact CB-CD1 4.27Å; A191-L196 HydrophobicContact CB-CG 4.43Å; A191-L196 PolarHBondContact O-N 2.72Å; A191-F200 HydrophobicContact CB-CE2 3.77Å; A191-F200 HydrophobicContact CB-CZ 3.66Å; A191-P259 HydrophobicContact CB-CB 4.05Å; A191-P259 HydrophobicContact CB-CG 3.92Å; A191-P259 WeakPolarHBondContact O-CD 3.32Å
192K98.6Very high98.8Very high63 Ų6342.9 Ų42.927%0.27421%0.211SC..Hα-helixtrans-68.9-47.3176.5-174.861.8171.5-177.20111.4M188 N189 M190 W194 K195 Y228 I229 P259M188-K192 PolarHBondContact O-N 3Å; N189-K192 PolarHBondContact O-N 3.05Å; M190-K192 VanDerWaalsContact C-N 3.29Å; M190-K192 PolarHBondContact O-N 3.04Å; K192-W194 PolarHBondContact O-N 3.29Å; K192-K195 PolarHBondContact O-N 3.01Å; K192-K195 VanDerWaalsContact O-N 3.08Å; K192-Y228 HydrophobicContact CB-CD2 4.18Å; K192-Y228 HydrophobicContact CB-CE2 3.98Å; K192-Y228 HydrophobicContact CG-CD2 3.9Å; K192-Y228 HydrophobicContact CG-CE2 4.2Å; K192-I229 HydrophobicContact CB-CD1 4.34Å; K192-I229 HydrophobicContact CB-CG1 4.07Å; K192-I229 HydrophobicContact CD-CG1 4.45Å; K192-I229 HydrophobicContact CG-CG1 4.43Å; K192-P259 HydrophobicContact CB-CG 4.18Å; K192-P259 HydrophobicContact CD-CG 4.31Å
193L98.6Very high98.8Very high121 Ų12141.2 Ų41.263%0.63419%0.191SC*.Hα-helixtrans-54.9-42.8178.7-179.263.8000111.4N189 M190N189-L193 VanDerWaalsContact O-CB 3.32Å; N189-L193 WeakPolarHBondContact O-CB 3.47Å; N189-L193 PolarHBondContact O-N 3.37Å; M190-L193 PolarHBondContact O-N 3.11Å
194W98.5Very high98.8Very high109 Ų10939.6 Ų39.641%0.41318%0.184SC..THydrogen-bonded Turntrans-957.2-179.3-55.8-29.1000113.7F159 K162 M190 K192 L196F159-W194 HydrophobicContact CD2-CE3 4.09Å; F159-W194 HydrophobicContact CD2-CZ3 4.39Å; F159-W194 HydrophobicContact CE2-CE3 4.49Å; K162-W194 PolarHBondContact NZ-O 2.95Å; M190-W194 HydrophobicContact CB-CE3 4.1Å; M190-W194 HydrophobicContact CB-CH2 4.11Å; M190-W194 HydrophobicContact CB-CZ3 3.88Å; M190-W194 HydrophobicContact CG-CH2 4.13Å; M190-W194 HydrophobicContact CG-CZ2 4.45Å; M190-W194 HydrophobicContact CG-CZ3 4.39Å; M190-W194 WeakPolarHBondContact O-CB 3.18Å; M190-W194 PolarHBondContact O-N 2.64Å; M190-W194 HydrophobicContact SD-CH2 3.69Å; M190-W194 HydrophobicContact SD-CZ2 4.39Å; M190-W194 HydrophobicContact SD-CZ3 4.14Å; K192-W194 PolarHBondContact O-N 3.29Å; W194-L196 VanDerWaalsContact C-N 3.29Å; W194-L196 HydrophobicContact CB-CD2 3.74Å; W194-L196 HydrophobicContact CB-CG 3.97Å; W194-L196 HydrophobicContact CE3-CD1 4.16Å; W194-L196 PolarHBondContact O-N 3.24Å
195K98.2Very high98.8Very high132 Ų13240.1 Ų40.157%0.57419%0.187SC*.THydrogen-bonded Turntrans4552.5-177.2-57.3-175.6178.9-174.20112.4A191 K192A191-K195 WeakPolarHBondContact O-CA 3.34Å; A191-K195 PolarHBondContact O-N 2.86Å; K192-K195 PolarHBondContact O-N 3.01Å; K192-K195 VanDerWaalsContact O-N 3.08Å
196L98.8Very high98.8Very high1 Ų137.5 Ų37.51%0.00518%0.182CC..  trans-75.2146.7-177.1-61.5-171.2000112T155 A158 F159 K162 A191 W194 C198 G258T155-L196 HydrophobicContact CG2-CD1 3.66Å; A158-L196 HydrophobicContact CB-CB 4.3Å; F159-L196 HydrophobicContact CB-CD1 3.96Å; F159-L196 HydrophobicContact CB-CD2 4.26Å; F159-L196 HydrophobicContact CD2-CD2 4.07Å; K162-L196 HydrophobicContact CB-CD2 4.36Å; K162-L196 HydrophobicContact CD-CD2 3.81Å; A191-L196 HydrophobicContact CB-CB 4.24Å; A191-L196 HydrophobicContact CB-CD1 4.27Å; A191-L196 HydrophobicContact CB-CG 4.43Å; A191-L196 PolarHBondContact O-N 2.72Å; W194-L196 VanDerWaalsContact C-N 3.29Å; W194-L196 HydrophobicContact CB-CD2 3.74Å; W194-L196 HydrophobicContact CB-CG 3.97Å; W194-L196 HydrophobicContact CE3-CD1 4.16Å; W194-L196 PolarHBondContact O-N 3.24Å; L196-C198 HydrophobicContact CB-CB 4.47Å; L196-C198 PolarHBondContact O-N 3.45Å; L196-G258 CarbonylContact O-C 3.59Å
197P98.7Very high98.7Very high14 Ų1432.7 Ų32.79%0.09116%0.158CC..  trans-78.564.7174.434.6-36.4000110.9A158 V169 N170 C253A158-P197 HydrophobicContact CB-CG 4.34Å; A158-P197 WeakPolarHBondContact CB-O 3.44Å; A158-P197 WeakPolarHBondContact O-CD 3.37Å; A158-P197 WeakPolarHBondContact O-CG 3.38Å; V169-P197 WeakPolarHBondContact CA-O 3.45Å; V169-P197 HydrophobicContact CG2-CB 4.26Å; N170-P197 PolarHBondContact N-O 3.21Å; N170-P197 VanDerWaalsContact N-O 3.08Å; P197-C253 HydrophobicContact CB-CB 4.3Å
198C98.9Very high98.7Very high0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-121.3122.5-176.8-168.90000110.6A158 N170 L196 F200 P259 L260A158-C198 HydrophobicContact CB-CB 3.6Å; N170-C198 WeakPolarHBondContact O-CA 3.22Å; L196-C198 HydrophobicContact CB-CB 4.47Å; L196-C198 PolarHBondContact O-N 3.45Å; C198-F200 HydrophobicContact CB-CE2 4.44Å; C198-F200 HydrophobicContact CB-CZ 4.37Å; C198-P259 WeakPolarHBondContact O-CA 3.03Å; C198-P259 VanDerWaalsContact O-CB 3.27Å; C198-P259 WeakPolarHBondContact O-CB 3.41Å; C198-L260 PolarHBondContact O-N 3.19Å
199V98.9Very high98.7Very high1 Ų139 Ų391%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-99.2113.5169.9-174.60000108.1V169 N170 F171 A172 V201 A249 C253 L260 V262V169-V199 HydrophobicContact CG1-CG2 3.71Å; N170-V199 PolarHBondContact O-N 2.87Å; F171-V199 WeakPolarHBondContact CA-O 3.42Å; F171-V199 HydrophobicContact CD1-CB 3.63Å; F171-V199 HydrophobicContact CD1-CG1 3.94Å; F171-V199 HydrophobicContact CD1-CG2 4.06Å; F171-V199 HydrophobicContact CE1-CB 3.85Å; F171-V199 HydrophobicContact CE1-CG1 4.09Å; F171-V199 HydrophobicContact CE1-CG2 3.76Å; F171-V199 HydrophobicContact CG-CB 4.39Å; F171-V199 HydrophobicContact CZ-CG2 4.33Å; A172-V199 PolarHBondContact N-O 2.95Å; V199-V201 HydrophobicContact CB-CG2 4.44Å; V199-V201 HydrophobicContact CG1-CG2 3.72Å; V199-A249 HydrophobicContact CG1-CB 4.08Å; V199-A249 HydrophobicContact CG2-CB 4.09Å; V199-C253 HydrophobicContact CG2-CB 4.48Å; V199-C253 WeakPolarHBondContact CG2-SG 3.35Å; V199-L260 CarbonylContact C-O 3.46Å; V199-L260 WeakPolarHBondContact CA-O 3.22Å; V199-V262 HydrophobicContact CG1-CB 4.36Å; V199-V262 HydrophobicContact CG1-CG2 3.61Å
200F99Very high98.7Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-84.2111.6175.9-66-70.1000109.4V151 T155 A172 Y174 V187 M188 A191 C198 I229 P259 L260 V261 V262V151-F200 HydrophobicContact CG1-CD1 3.63Å; V151-F200 HydrophobicContact CG1-CE1 3.69Å; T155-F200 WeakPolarHBondContact OG1-CE1 3.36Å; A172-F200 HydrophobicContact CB-CD1 4.43Å; Y174-F200 HydrophobicContact CE1-CB 4.05Å; V187-F200 HydrophobicContact CG2-CE1 4.13Å; M188-F200 HydrophobicContact CE-CB 3.88Å; M188-F200 HydrophobicContact CE-CD1 4.38Å; M188-F200 HydrophobicContact CE-CD2 4.32Å; M188-F200 HydrophobicContact CE-CG 3.95Å; M188-F200 HydrophobicContact CG-CD1 4.47Å; M188-F200 HydrophobicContact CG-CD2 4.03Å; M188-F200 HydrophobicContact CG-CE1 4.35Å; M188-F200 HydrophobicContact CG-CE2 3.89Å; M188-F200 HydrophobicContact CG-CG 4.31Å; M188-F200 HydrophobicContact CG-CZ 4.06Å; A191-F200 HydrophobicContact CB-CE2 3.77Å; A191-F200 HydrophobicContact CB-CZ 3.66Å; C198-F200 HydrophobicContact CB-CE2 4.44Å; C198-F200 HydrophobicContact CB-CZ 4.37Å; F200-I229 HydrophobicContact CD2-CD1 4.47Å; F200-I229 HydrophobicContact CE2-CD1 4.2Å; F200-P259 HydrophobicContact CD2-CB 4.08Å; F200-P259 HydrophobicContact CE2-CB 3.66Å; F200-P259 HydrophobicContact CE2-CG 4.42Å; F200-L260 PolarHBondContact N-O 3.24Å; F200-V261 HydrophobicContact CB-CG2 4.32Å; F200-V261 CarbonylContact O-C 3.46Å; F200-V261 WeakPolarHBondContact O-CA 3.26Å; F200-V262 PolarHBondContact O-N 3.47Å
201V99Very high98.7Very high1 Ų135.8 Ų35.81%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-112.3113.1-171.5-179.20000110.6M82 F171 A172 L173 Y174 V199 V262 M264M82-V201 HydrophobicContact CE-CB 4.47Å; M82-V201 HydrophobicContact CE-CG1 4.19Å; M82-V201 HydrophobicContact CE-CG2 3.85Å; M82-V201 HydrophobicContact SD-CG1 4.08Å; F171-V201 HydrophobicContact CD1-CG2 4.25Å; A172-V201 PolarHBondContact O-N 2.68Å; L173-V201 CarbonylContact C-O 3.56Å; L173-V201 VanDerWaalsContact CA-O 3.3Å; L173-V201 WeakPolarHBondContact CA-O 3.41Å; L173-V201 HydrophobicContact CD2-CG1 4.19Å; L173-V201 HydrophobicContact CG-CB 3.98Å; L173-V201 HydrophobicContact CG-CG1 4.19Å; Y174-V201 WeakPolarHBondContact CD1-O 3.28Å; Y174-V201 PolarHBondContact N-O 2.96Å; V199-V201 HydrophobicContact CB-CG2 4.44Å; V199-V201 HydrophobicContact CG1-CG2 3.72Å; V201-V262 CarbonylContact C-O 3.32Å; V201-V262 VanDerWaalsContact CA-O 3.29Å; V201-V262 WeakPolarHBondContact CA-O 3.43Å; V201-V262 HydrophobicContact CG2-CB 4.39Å; V201-M264 HydrophobicContact CG1-CE 4.45Å; V201-M264 HydrophobicContact CG1-CG 3.64Å
202C98.9Very high98.7Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-90.5107.2173.4-174.40000110.1Y174 N204 V262 E263 M264Y174-C202 HydrophobicContact CD2-CB 4.24Å; Y174-C202 HydrophobicContact CE2-CB 3.59Å; Y174-C202 CarbonylContact O-C 3.56Å; Y174-C202 VanDerWaalsContact O-CA 3.27Å; Y174-C202 WeakPolarHBondContact O-CA 3.21Å; C202-N204 PolarHBondContact O-N 3.32Å; C202-N204 VanDerWaalsContact O-N 3.12Å; C202-V262 PolarHBondContact N-O 2.9Å; C202-E263 WeakPolarHBondContact O-CA 3.39Å; C202-M264 PolarHBondContact O-N 2.92Å
203E98.9Very high98.7Very high12 Ų1234 Ų346%0.05618%0.181CC..EExtended strand (participates in β ladder)trans-76.492.5166.9-63-167.79500109.6Y72 Q75 V78 L173 Y174 G175 D176 N205Y72-E203 VanDerWaalsContact CZ-OE1 3.28Å; Y72-E203 PolarHBondContact OH-OE1 3.22Å; Q75-E203 PolarHBondContact NE2-OE1 2.87Å; Q75-E203 VanDerWaalsContact NE2-OE1 3.12Å; V78-E203 HydrophobicContact CG1-CG 4.27Å; V78-E203 WeakPolarHBondContact CG1-OE1 3.32Å; L173-E203 HydrophobicContact CD2-CG 4.02Å; Y174-E203 PolarHBondContact O-N 2.9Å; G175-E203 WeakPolarHBondContact CA-O 3.48Å; D176-E203 PolarHBondContact N-O 2.65Å; E203-N205 PolarHBondContact O-N 2.95Å
204N98.9Very high98.6Very high20 Ų2034.6 Ų34.611%0.10718%0.18CC..EExtended strand (participates in β ladder)trans-86.3102177.8178.48.1000109.4D176 C202 G206 Y222 E263 M264 T266D176-N204 HydrophobicContact CB-CB 4.37Å; C202-N204 PolarHBondContact O-N 3.32Å; C202-N204 VanDerWaalsContact O-N 3.12Å; N204-G206 PolarHBondContact OD1-N 3.48Å; N204-Y222 HydrophobicContact CB-CD2 4.14Å; N204-Y222 HydrophobicContact CB-CE2 4.45Å; N204-Y222 WeakPolarHBondContact ND2-CD2 3.28Å; N204-E263 HydrophobicContact CB-CG 3.98Å; N204-E263 PolarHBondContact ND2-OE1 3.31Å; N204-M264 PolarHBondContact N-O 3.06Å; N204-T266 PolarHBondContact O-N 3.17Å
205N98.7Very high98.6Very high13 Ų1338 Ų387%0.0719%0.193CC..  trans-104.313.7175.765.934.4000112.9Q75 D176 E203 Y207 T266 R268Q75-N205 PolarHBondContact OE1-ND2 3.11Å; D176-N205 PolarHBondContact OD1-N 2.94Å; D176-N205 PolarHBondContact OD1-OD1 3.37Å; E203-N205 PolarHBondContact O-N 2.95Å; N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.39Å; N205-Y207 PolarHBondContact OD1-N 3.08Å; N205-Y207 PolarHBondContact OD1-O 3.42Å; N205-T266 HydrophobicContact CB-CG2 4.16Å; N205-R268 HydrophobicContact CB-CG 4.24Å
206G98.4Very high98.7Very high17 Ų1733.7 Ų33.718%0.17518%0.18CC..SBendtrans85.8-11.317600000115.2N204 S212 V213N204-G206 PolarHBondContact OD1-N 3.48Å; G206-S212 WeakPolarHBondContact O-CA 3.35Å; G206-V213 PolarHBondContact O-N 3.29Å; G206-V213 VanDerWaalsContact O-N 3.17Å
207Y98.8Very high98.6Very high25 Ų2533.9 Ų33.910%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-150.5113.9-169.8-59.5-84.5000114.6N205 M209 T211 Y267 R268 Y281 R282 E286N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.39Å; N205-Y207 PolarHBondContact OD1-N 3.08Å; N205-Y207 PolarHBondContact OD1-O 3.42Å; Y207-M209 PolarHBondContact O-N 2.91Å; Y207-T211 WeakPolarHBondContact CA-O 3.4Å; Y207-Y267 HydrophobicContact CE2-CE2 4.15Å; Y207-R268 VanDerWaalsContact CB-NH2 3.32Å; Y207-Y281 AromaticContact CD1-CD2 3.6Å; Y207-Y281 HydrophobicContact CD1-CD2 3.6Å; Y207-Y281 AromaticContact CD1-CE2 3.94Å; Y207-Y281 HydrophobicContact CD1-CE2 3.94Å; Y207-Y281 AromaticContact CE1-CD2 3.87Å; Y207-Y281 HydrophobicContact CE1-CD2 3.87Å; Y207-Y281 HydrophobicContact CE1-CE2 4.47Å; Y207-Y281 HydrophobicContact CG-CD2 4.19Å; Y207-Y281 HydrophobicContact CG-CE2 4.06Å; Y207-R282 HydrophobicContact CE1-CB 4.08Å; Y207-R282 HydrophobicContact CE2-CB 4.27Å; Y207-R282 VanDerWaalsContact OH-CB 3.3Å; Y207-R282 WeakPolarHBondContact OH-CB 3.5Å; Y207-E286 WeakPolarHBondContact CE2-OE1 3.48Å; Y207-E286 VanDerWaalsContact OH-CD 3.28Å; Y207-E286 PolarHBondContact OH-OE1 3.29Å; Y207-E286 PolarHBondContact OH-OE2 2.99Å
208G98.4Very high98.6Very high20 Ų2039.1 Ų39.121%0.20623%0.225CC..EExtended strand (participates in β ladder)trans-78.297.4165.900000111D176 G210 T211D176-G208 PolarHBondContact OD2-N 3.3Å; G208-G210 PolarHBondContact O-N 3.45Å; G208-T211 PolarHBondContact N-O 2.98Å; G208-T211 PolarHBondContact O-N 3.5Å
209M98.3Very high98.6Very high124 Ų12441 Ų4161%0.61124%0.239SC*.THydrogen-bonded Turntrans58-95.3-169-173.4-174.8-17800111.7Y207 R268 H272 Y281Y207-M209 PolarHBondContact O-N 2.91Å; M209-R268 PolarHBondContact O-NH2 3.12Å; M209-H272 WeakPolarHBondContact CA-ND1 3.36Å; M209-H272 HydrophobicContact CG-CB 4.14Å; M209-Y281 PolarHBondContact O-OH 3.2Å
210G98Very high98.6Very high22 Ų2243.7 Ų43.723%0.22726%0.255CS..THydrogen-bonded Turntrans-119.58.9175.200000114.1G208 Y281G208-G210 PolarHBondContact O-N 3.45Å; G210-Y281 VanDerWaalsContact CA-CD1 3.48Å; G210-Y281 VanDerWaalsContact O-CB 3.29Å; G210-Y281 WeakPolarHBondContact O-CB 3.32Å
211T98.6Very high98.5Very high56 Ų5650.5 Ų50.534%0.34428%0.281SS..EExtended strand (participates in β ladder)trans-104.8122-179.6-50.60000109.4Y207 G208 R215Y207-T211 WeakPolarHBondContact CA-O 3.4Å; G208-T211 PolarHBondContact N-O 2.98Å; G208-T211 PolarHBondContact O-N 3.5Å; T211-R215 HydrophobicContact CG2-CB 3.73Å
212S98.6Very high98.5Very high17 Ų1750.5 Ų50.512%0.11928%0.281CS..EExtended strand (participates in β ladder)trans-66.2161.9177.579.50000112G206 E214 R215 S216G206-S212 WeakPolarHBondContact O-CA 3.35Å; S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 VanDerWaalsContact CB-OE2 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.29Å; S212-E214 PolarHBondContact O-N 3.23Å; S212-E214 PolarHBondContact OG-OE2 3.31Å; S212-R215 PolarHBondContact O-N 3.03Å; S212-R215 VanDerWaalsContact O-N 3.15Å; S212-S216 WeakPolarHBondContact O-CB 3.38Å; S212-S216 PolarHBondContact O-N 3.1Å; S212-S216 VanDerWaalsContact O-N 3.07Å; S212-S216 PolarHBondContact O-OG 3.36Å
213V98.6Very high98.5Very high9 Ų951.7 Ų51.76%0.05529%0.285CS..Hα-helixtrans-59.9-38.1178.8-64.30000112.5D176 G206 R215 S216 S217 T220 Y222D176-V213 HydrophobicContact CB-CG1 3.79Å; G206-V213 PolarHBondContact O-N 3.29Å; G206-V213 VanDerWaalsContact O-N 3.17Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 PolarHBondContact O-N 3.43Å; V213-S216 WeakPolarHBondContact CA-OG 3.18Å; V213-S216 PolarHBondContact O-N 2.9Å; V213-S216 PolarHBondContact O-OG 3.04Å; V213-S217 WeakPolarHBondContact O-CB 3.14Å; V213-S217 PolarHBondContact O-N 2.77Å; V213-T220 HydrophobicContact CB-CG2 3.93Å; V213-T220 HydrophobicContact CG2-CG2 3.88Å; V213-Y222 HydrophobicContact CB-CE2 4.12Å; V213-Y222 VanDerWaalsContact CB-OH 3.22Å; V213-Y222 WeakPolarHBondContact CB-OH 3.44Å; V213-Y222 HydrophobicContact CG1-CE2 3.81Å; V213-Y222 WeakPolarHBondContact CG1-OH 3.37Å
214E98.4Very high98.5Very high134 Ų13452.1 Ų52.163%0.62629%0.289SS*.Hα-helixtrans-67-29.1178.6-56.874-160.100112.3S212S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 VanDerWaalsContact CB-OE2 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.29Å; S212-E214 PolarHBondContact O-N 3.23Å; S212-E214 PolarHBondContact OG-OE2 3.31Å
215R98.5Very high98.5Very high179 Ų17953.8 Ų53.868%0.67529%0.294SS*.Hα-helixtrans-88.8-18.2179.5-69.4177.558.8-153.5-5.5113.2T211 S212 V213T211-R215 HydrophobicContact CG2-CB 3.73Å; S212-R215 PolarHBondContact O-N 3.03Å; S212-R215 VanDerWaalsContact O-N 3.15Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 PolarHBondContact O-N 3.43Å
216S98.5Very high98.5Very high42 Ų4253.3 Ų53.329%0.29429%0.292SS..Hα-helixtrans-106.1-24.4-17658.50000113.4N180 S212 V213N180-S216 PolarHBondContact ND2-O 3.4Å; N180-S216 VanDerWaalsContact ND2-O 3.13Å; S212-S216 WeakPolarHBondContact O-CB 3.38Å; S212-S216 PolarHBondContact O-N 3.1Å; S212-S216 VanDerWaalsContact O-N 3.07Å; S212-S216 PolarHBondContact O-OG 3.36Å; V213-S216 WeakPolarHBondContact CA-OG 3.18Å; V213-S216 PolarHBondContact O-N 2.9Å; V213-S216 PolarHBondContact O-OG 3.04Å
217S98.6Very high98.5Very high6 Ų657.2 Ų57.24%0.04231%0.309CS..  trans-132.9121-170-53.70000111.1N180 V213 S219 Y222N180-S217 PolarHBondContact ND2-OG 3.04Å; V213-S217 WeakPolarHBondContact O-CB 3.14Å; V213-S217 PolarHBondContact O-N 2.77Å; S217-S219 PolarHBondContact O-N 3.31Å; S217-Y222 PolarHBondContact OG-OH 2.98Å
218A98.3Very high98.4Very high123 Ų12360.4 Ų60.4100%1.01732%0.322SS*.SBendtrans-61.2-26.7175.400000112.8
219S97.9Very high98.4Very high40 Ų4059.5 Ų59.528%0.2831%0.312SS..  trans-127.5121.7166.9-168.30000110.1S217 R221 R225S217-S219 PolarHBondContact O-N 3.31Å; S219-R221 VanDerWaalsContact C-N 3.34Å; S219-R225 PolarHBondContact O-NH1 3.49Å
220T98.6Very high98.4Very high57 Ų5753.9 Ų53.935%0.3529%0.285SS..  trans-91.46.4179.656.40000113.1V213 Y222V213-T220 HydrophobicContact CB-CG2 3.93Å; V213-T220 HydrophobicContact CG2-CG2 3.88Å; T220-Y222 VanDerWaalsContact O-CD2 3.32Å; T220-Y222 WeakPolarHBondContact O-CD2 3.36Å; T220-Y222 PolarHBondContact O-N 2.88Å
221R98.5Very high98.5Very high143 Ų14352.9 Ų52.954%0.5427%0.274SS..  trans-85.977171.8-62.2-174.9-59.9-173.70109S219 Y223 T224S219-R221 VanDerWaalsContact C-N 3.34Å; R221-Y223 VanDerWaalsContact C-N 3.25Å; R221-Y223 HydrophobicContact CB-CD1 4.22Å; R221-Y223 HydrophobicContact CB-CE1 3.78Å; R221-Y223 HydrophobicContact CG-CE1 4.19Å; R221-Y223 PolarHBondContact O-N 3.14Å; R221-T224 HydrophobicContact CB-CG2 3.98Å; R221-T224 PolarHBondContact O-N 2.86Å; R221-T224 PolarHBondContact O-OG1 2.88Å
222Y98.8Very high98.4Very high1 Ų150.2 Ų50.20%0.00426%0.258CS..G310 helixtrans-61.4-34.2-172.5-64-78.2000113D176 A179 N204 V213 S217 T220 T224 R225 E263D176-Y222 HydrophobicContact CB-CE1 4.23Å; D176-Y222 HydrophobicContact CB-CE2 3.89Å; A179-Y222 HydrophobicContact CB-CD1 3.53Å; A179-Y222 HydrophobicContact CB-CE1 3.7Å; N204-Y222 HydrophobicContact CB-CD2 4.14Å; N204-Y222 HydrophobicContact CB-CE2 4.45Å; N204-Y222 WeakPolarHBondContact ND2-CD2 3.28Å; V213-Y222 HydrophobicContact CB-CE2 4.12Å; V213-Y222 VanDerWaalsContact CB-OH 3.22Å; V213-Y222 WeakPolarHBondContact CB-OH 3.44Å; V213-Y222 HydrophobicContact CG1-CE2 3.81Å; V213-Y222 WeakPolarHBondContact CG1-OH 3.37Å; S217-Y222 PolarHBondContact OG-OH 2.98Å; T220-Y222 VanDerWaalsContact O-CD2 3.32Å; T220-Y222 WeakPolarHBondContact O-CD2 3.36Å; T220-Y222 PolarHBondContact O-N 2.88Å; Y222-T224 PolarHBondContact O-N 2.97Å; Y222-T224 VanDerWaalsContact O-N 3.1Å; Y222-R225 HydrophobicContact CD1-CG 4.46Å; Y222-R225 WeakPolarHBondContact O-CB 3.41Å; Y222-R225 WeakPolarHBondContact O-CG 3.24Å; Y222-R225 PolarHBondContact O-N 2.62Å; Y222-E263 WeakPolarHBondContact CA-OE2 3.27Å; Y222-E263 WeakPolarHBondContact CB-OE2 3.34Å; Y222-E263 PolarHBondContact N-OE2 2.76Å
223Y98.8Very high98.5Very high25 Ų2551.4 Ų51.410%0.09826%0.26CS..G310 helixtrans-59.8-18.5174.172.9-75.6000114.2K20 H22 R221 G231 L232 W233 E263K20-Y223 HydrophobicContact CB-CE2 4.07Å; H22-Y223 HydrophobicContact CB-CD2 3.8Å; H22-Y223 HydrophobicContact CB-CE2 3.94Å; R221-Y223 VanDerWaalsContact C-N 3.25Å; R221-Y223 HydrophobicContact CB-CD1 4.22Å; R221-Y223 HydrophobicContact CB-CE1 3.78Å; R221-Y223 HydrophobicContact CG-CE1 4.19Å; R221-Y223 PolarHBondContact O-N 3.14Å; Y223-G231 WeakPolarHBondContact O-CA 3.33Å; Y223-L232 WeakPolarHBondContact CB-O 3.43Å; Y223-W233 HydrophobicContact CD1-CB 3.8Å; Y223-W233 AromaticContact CD1-CD1 3.97Å; Y223-W233 HydrophobicContact CD1-CG 4.28Å; Y223-W233 HydrophobicContact CD2-CB 4.34Å; Y223-W233 HydrophobicContact CE1-CB 4.09Å; Y223-W233 HydrophobicContact CE1-CG 4.47Å; Y223-W233 HydrophobicContact CG-CB 3.94Å; Y223-E263 WeakPolarHBondContact CD1-OE2 3.31Å; Y223-E263 PolarHBondContact N-OE2 3.29Å; Y223-E263 VanDerWaalsContact N-OE2 3.1Å
224T98.7Very high98.5Very high22 Ų2251 Ų5114%0.13526%0.257CS..G310 helixtrans-96.2-3.8177.274.70000113.2H22 R221 Y222 G226 D227H22-T224 HydrophobicContact CB-CG2 4.03Å; R221-T224 HydrophobicContact CB-CG2 3.98Å; R221-T224 PolarHBondContact O-N 2.86Å; R221-T224 PolarHBondContact O-OG1 2.88Å; Y222-T224 PolarHBondContact O-N 2.97Å; Y222-T224 VanDerWaalsContact O-N 3.1Å; T224-G226 VanDerWaalsContact C-N 3.26Å; T224-G226 PolarHBondContact O-N 2.91Å; T224-D227 PolarHBondContact O-N 3.11Å; T224-D227 VanDerWaalsContact O-N 3.08Å
225R98.5Very high98.5Very high54 Ų5446 Ų4620%0.20424%0.235CC..THydrogen-bonded Turntrans-74-16.1-170.8-63.9-68-65.3-85.6-0.5113.8N180 Y185 S219 Y222 D227N180-R225 PolarHBondContact OD1-NH1 2.88Å; N180-R225 PolarHBondContact OD1-NH2 2.89Å; Y185-R225 HydrophobicContact CE1-CB 4.48Å; Y185-R225 WeakPolarHBondContact CE1-O 3.21Å; Y185-R225 PolarHBondContact OH-NE 3.34Å; Y185-R225 PolarHBondContact OH-NH2 3.34Å; S219-R225 PolarHBondContact O-NH1 3.49Å; Y222-R225 HydrophobicContact CD1-CG 4.46Å; Y222-R225 WeakPolarHBondContact O-CB 3.41Å; Y222-R225 WeakPolarHBondContact O-CG 3.24Å; Y222-R225 PolarHBondContact O-N 2.62Å; R225-D227 PolarHBondContact O-N 2.77Å
226G98.3Very high98.5Very high4 Ų437.5 Ų37.54%0.04120%0.203CC..THydrogen-bonded Turntrans-69.7-4.216800000114.2T224 Y228 I229T224-G226 VanDerWaalsContact C-N 3.26Å; T224-G226 PolarHBondContact O-N 2.91Å; G226-Y228 PolarHBondContact O-N 3.26Å; G226-I229 PolarHBondContact O-N 2.95Å
227D98.2Very high98.5Very high98 Ų9836.1 Ų36.152%0.52419%0.192SC..THydrogen-bonded Turntrans51.7-90.8-178.8179.127.7000113.1H22 K23 T224 R225 I229H22-D227 PolarHBondContact NE2-O 3.21Å; K23-D227 VanDerWaalsContact CD-O 3.25Å; K23-D227 WeakPolarHBondContact CD-O 3.43Å; K23-D227 WeakPolarHBondContact CE-O 3.33Å; T224-D227 PolarHBondContact O-N 3.11Å; T224-D227 VanDerWaalsContact O-N 3.08Å; R225-D227 PolarHBondContact O-N 2.77Å; D227-I229 VanDerWaalsContact C-N 3.29Å; D227-I229 PolarHBondContact O-N 2.98Å
228Y96.9Very high98.5Very high93 Ų9336.4 Ų36.437%0.36519%0.193SC..THydrogen-bonded Turntrans-77.5-10.5176.446.5-103.7000113.9N189 K192 G226N189-Y228 WeakPolarHBondContact CA-OH 3.41Å; N189-Y228 WeakPolarHBondContact CB-OH 3.36Å; N189-Y228 PolarHBondContact OD1-OH 3.37Å; K192-Y228 HydrophobicContact CB-CD2 4.18Å; K192-Y228 HydrophobicContact CB-CE2 3.98Å; K192-Y228 HydrophobicContact CG-CD2 3.9Å; K192-Y228 HydrophobicContact CG-CE2 4.2Å; G226-Y228 PolarHBondContact O-N 3.26Å
229I98.7Very high98.5Very high0 Ų030.6 Ų30.60%015%0.145CC..SBendtrans-82.4128.7169.3-55.3-177000109H22 M188 K192 F200 G226 D227 P259 V261H22-I229 PolarHBondContact CD2-O 3.46Å; M188-I229 HydrophobicContact CB-CD1 3.53Å; M188-I229 HydrophobicContact CG-CD1 3.78Å; M188-I229 WeakPolarHBondContact O-CD1 3.35Å; K192-I229 HydrophobicContact CB-CD1 4.34Å; K192-I229 HydrophobicContact CB-CG1 4.07Å; K192-I229 HydrophobicContact CD-CG1 4.45Å; K192-I229 HydrophobicContact CG-CG1 4.43Å; F200-I229 HydrophobicContact CD2-CD1 4.47Å; F200-I229 HydrophobicContact CE2-CD1 4.2Å; G226-I229 PolarHBondContact O-N 2.95Å; D227-I229 VanDerWaalsContact C-N 3.29Å; D227-I229 PolarHBondContact O-N 2.98Å; I229-P259 HydrophobicContact CD1-CG 3.97Å; I229-P259 HydrophobicContact CG1-CG 4.35Å; I229-P259 HydrophobicContact CG2-CB 4.34Å; I229-P259 HydrophobicContact CG2-CG 4.15Å; I229-P259 WeakPolarHBondContact CG2-O 3.18Å; I229-V261 HydrophobicContact CB-CG2 4.21Å; I229-V261 HydrophobicContact CG2-CG2 3.88Å
230P98.7Very high98.6Very high7 Ų728.7 Ų28.75%0.04513%0.132CC..  trans-62.5155.2175.1-20.133.3000112.6H22 K23 L24 L260 V261H22-P230 CarbonylContact O-C 3.53Å; H22-P230 VanDerWaalsContact O-CA 3.23Å; H22-P230 WeakPolarHBondContact O-CA 3.46Å; K23-P230 HydrophobicContact CB-CB 4.42Å; L24-P230 HydrophobicContact CD1-CB 4.45Å; L24-P230 HydrophobicContact CD2-CB 3.52Å; L24-P230 HydrophobicContact CD2-CG 4.27Å; L24-P230 HydrophobicContact CG-CB 3.73Å; P230-L260 HydrophobicContact CB-CD1 3.94Å; P230-L260 WeakPolarHBondContact O-CD1 3.43Å; P230-V261 PolarHBondContact O-N 3.36Å
231G98.8Very high98.6Very high0 Ų026 Ų260%012%0.115CC..EExtended strand (participates in β ladder)trans-142.5149.6-168.700000114.8H22 Y223 V261H22-G231 PolarHBondContact N-O 2.91Å; H22-G231 PolarHBondContact O-N 3.08Å; Y223-G231 WeakPolarHBondContact O-CA 3.33Å; G231-V261 CarbonylContact C-O 3.22Å; G231-V261 WeakPolarHBondContact CA-O 3.44Å
232L98.5Very high98.6Very high0 Ų019.2 Ų19.20%09%0.089CC..EExtended strand (participates in β ladder)trans-130.3129.7178.4-171.970.1000110.7F19 K20 L21 P28 Y223 V234 A245 V261 V262 E263F19-L232 HydrophobicContact CB-CD1 3.42Å; F19-L232 VanDerWaalsContact CB-CD1 3.42Å; F19-L232 HydrophobicContact CB-CG 4.26Å; F19-L232 HydrophobicContact CD1-CD1 4.27Å; F19-L232 HydrophobicContact CD1-CD2 4.3Å; F19-L232 HydrophobicContact CD1-CG 4.35Å; F19-L232 HydrophobicContact CG-CD1 3.97Å; K20-L232 CarbonylContact O-C 3.59Å; K20-L232 WeakPolarHBondContact O-CA 3.23Å; L21-L232 HydrophobicContact CD2-CD1 3.38Å; P28-L232 HydrophobicContact CG-CD1 4.26Å; P28-L232 HydrophobicContact CG-CD2 3.68Å; Y223-L232 WeakPolarHBondContact CB-O 3.43Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 4.04Å; L232-A245 HydrophobicContact CD2-CB 3.66Å; L232-V261 PolarHBondContact N-O 2.92Å; L232-V262 HydrophobicContact CB-CG2 4.33Å; L232-V262 CarbonylContact O-C 3.41Å; L232-V262 VanDerWaalsContact O-CA 3.3Å; L232-V262 WeakPolarHBondContact O-CA 3.46Å; L232-E263 PolarHBondContact O-N 2.98Å
233W98.8Very high98.6Very high43 Ų4319.9 Ų19.916%0.1639%0.092CC..EExtended strand (participates in β ladder)trans-97.5134.3167.4-17592.2000110.3T17 F19 K20 Y223 N235 E263 A265T17-W233 HydrophobicContact CG2-CZ3 4.41Å; F19-W233 WeakPolarHBondContact CA-O 3.32Å; K20-W233 HydrophobicContact CB-CB 3.69Å; K20-W233 HydrophobicContact CB-CG 4.45Å; K20-W233 HydrophobicContact CD-CB 4.18Å; K20-W233 HydrophobicContact CD-CD2 4.1Å; K20-W233 HydrophobicContact CD-CE3 4.24Å; K20-W233 HydrophobicContact CD-CG 4.06Å; K20-W233 HydrophobicContact CG-CB 4.09Å; K20-W233 HydrophobicContact CG-CD2 4.38Å; K20-W233 HydrophobicContact CG-CE3 4.16Å; K20-W233 HydrophobicContact CG-CG 4.37Å; K20-W233 PolarHBondContact N-O 3.3Å; K20-W233 PolarHBondContact O-N 3.34Å; Y223-W233 HydrophobicContact CD1-CB 3.8Å; Y223-W233 AromaticContact CD1-CD1 3.97Å; Y223-W233 HydrophobicContact CD1-CG 4.28Å; Y223-W233 HydrophobicContact CD2-CB 4.34Å; Y223-W233 HydrophobicContact CE1-CB 4.09Å; Y223-W233 HydrophobicContact CE1-CG 4.47Å; Y223-W233 HydrophobicContact CG-CB 3.94Å; W233-N235 HydrophobicContact CH2-CB 4.02Å; W233-N235 HydrophobicContact CZ3-CB 4.04Å; W233-E263 PolarHBondContact NE1-OE1 2.71Å; W233-A265 HydrophobicContact CH2-CB 4.29Å; W233-A265 HydrophobicContact CZ2-CB 3.35Å
234V98.9Very high98.6Very high0 Ų020.2 Ų20.20%09%0.094CC..EExtended strand (participates in β ladder)trans-127.3133.5-176.1-175.20000110.1F19 L232 A236 A241 V242 A245 V262 E263 M264 A265F19-V234 HydrophobicContact CD1-CB 4.5Å; F19-V234 HydrophobicContact CD1-CG1 4.47Å; F19-V234 HydrophobicContact CD1-CG2 4.05Å; F19-V234 HydrophobicContact CE1-CG1 4.16Å; F19-V234 HydrophobicContact CE1-CG2 4.3Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 4.04Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.34Å; V234-A241 HydrophobicContact CG1-CB 4.22Å; V234-V242 HydrophobicContact CG1-CG2 4.3Å; V234-A245 HydrophobicContact CB-CB 4.43Å; V234-A245 HydrophobicContact CG1-CB 4.07Å; V234-A245 HydrophobicContact CG2-CB 3.43Å; V234-A245 VanDerWaalsContact CG2-CB 3.43Å; V234-V262 HydrophobicContact CG2-CG1 3.67Å; V234-E263 PolarHBondContact N-O 3.2Å; V234-M264 HydrophobicContact CB-SD 3.77Å; V234-M264 HydrophobicContact CG1-SD 3.91Å; V234-M264 HydrophobicContact CG2-SD 4.08Å; V234-A265 WeakPolarHBondContact O-CB 3.27Å; V234-A265 PolarHBondContact O-N 3.37Å
235N98.7Very high98.6Very high29 Ų2919.1 Ų19.116%0.1559%0.088CC..EExtended strand (participates in β ladder)trans-71.392.3164.8176.313.6000109T17 W233 M237 D238T17-N235 HydrophobicContact CG2-CB 4.32Å; T17-N235 PolarHBondContact OG1-ND2 2.9Å; T17-N235 VanDerWaalsContact OG1-ND2 3.07Å; W233-N235 HydrophobicContact CH2-CB 4.02Å; W233-N235 HydrophobicContact CZ3-CB 4.04Å; N235-M237 PolarHBondContact O-N 3.42Å; N235-M237 PolarHBondContact OD1-N 2.93Å; N235-D238 PolarHBondContact O-N 3.22Å
236A98.8Very high98.6Very high0 Ų016.7 Ų16.70%08%0.079CC..THydrogen-bonded Turntrans-88.521.4-173.300000114V78 V234 V242 M264 A265V78-A236 HydrophobicContact CG2-CB 3.9Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.34Å; A236-V242 HydrophobicContact CB-CG2 3.74Å; A236-M264 HydrophobicContact CB-CB 3.56Å; A236-M264 HydrophobicContact CB-CG 4.25Å; A236-M264 HydrophobicContact CB-SD 3.89Å; A236-A265 WeakPolarHBondContact CA-O 3.13Å; A236-A265 PolarHBondContact N-O 2.95Å
237M98.8Very high98.7Very high13 Ų1320.7 Ų20.76%0.06410%0.096CC..THydrogen-bonded Turntrans-94.4-5.5159.9-54.5-56.4-82.800111.8G74 N235 T266 V290 R294 P296G74-M237 WeakPolarHBondContact O-CE 3.43Å; N235-M237 PolarHBondContact O-N 3.42Å; N235-M237 PolarHBondContact OD1-N 2.93Å; M237-T266 VanDerWaalsContact SD-CA 3.58Å; M237-T266 PolarHBondContact SD-OG1 2.78Å; M237-T266 VanDerWaalsContact SD-OG1 3.42Å; M237-V290 HydrophobicContact CE-CG1 4.03Å; M237-R294 WeakPolarHBondContact CB-O 3.43Å; M237-R294 VanDerWaalsContact CE-O 3.23Å; M237-R294 WeakPolarHBondContact CE-O 3.28Å; M237-P296 WeakPolarHBondContact O-CA 3.36Å; M237-P296 WeakPolarHBondContact O-CB 3.39Å
238D98.7Very high98.7Very high13 Ų1318.7 Ų18.77%0.078%0.081CC..  trans-110.9108.1176.4-173.1-18.6000110N235 L240 A241 V242 K303N235-D238 PolarHBondContact O-N 3.22Å; D238-L240 PolarHBondContact O-N 3.15Å; D238-L240 PolarHBondContact OD1-N 3.29Å; D238-L240 VanDerWaalsContact OD1-N 3.08Å; D238-A241 HydrophobicContact CB-CB 3.88Å; D238-A241 WeakPolarHBondContact O-CB 3.37Å; D238-A241 PolarHBondContact O-N 3.44Å; D238-V242 WeakPolarHBondContact O-CG2 3.2Å; D238-V242 PolarHBondContact O-N 2.6Å; D238-K303 IonicContact OD1-NZ 3.98Å; D238-K303 IonicContact OD2-NZ 3.56Å; D238-K303 PolarHBondContact OD2-NZ 3.39Å
239V98.9Very high98.8Very high1 Ų114.3 Ų14.31%0.0066%0.064CC..Hα-helixtrans-58.9-31-176.5700000112.8Y42 M46 A77 V80 R243 F300Y42-V239 HydrophobicContact CD2-CG1 4.39Å; Y42-V239 HydrophobicContact CD2-CG2 4.48Å; M46-V239 HydrophobicContact CE-CB 4.31Å; M46-V239 HydrophobicContact CE-CG1 4.11Å; M46-V239 HydrophobicContact SD-CB 4.09Å; M46-V239 HydrophobicContact SD-CG2 4.2Å; A77-V239 HydrophobicContact CB-CB 4.03Å; V80-V239 HydrophobicContact CB-CG2 4.44Å; V80-V239 HydrophobicContact CG1-CG2 4.2Å; V239-R243 WeakPolarHBondContact O-CB 3.3Å; V239-R243 PolarHBondContact O-N 3.02Å; V239-F300 HydrophobicContact CG1-CB 4.18Å; V239-F300 HydrophobicContact CG1-CD1 4.01Å; V239-F300 HydrophobicContact CG1-CD2 3.42Å; V239-F300 VanDerWaalsContact CG1-CD2 3.42Å; V239-F300 HydrophobicContact CG1-CE1 4.27Å; V239-F300 HydrophobicContact CG1-CE2 3.72Å; V239-F300 HydrophobicContact CG1-CG 3.59Å; V239-F300 HydrophobicContact CG1-CZ 4.13Å
240L98.8Very high98.8Very high0 Ų014.4 Ų14.40%07%0.065CC..Hα-helixtrans-72.6-38.7177.9-61.7-174.5000111.5F14 V16 V32 V34 Y42 D238 V242 R243 Q244 F300F14-L240 HydrophobicContact CB-CD1 4.07Å; F14-L240 HydrophobicContact CD2-CD1 3.67Å; F14-L240 HydrophobicContact CE2-CD1 4.49Å; F14-L240 HydrophobicContact CG-CD1 4.12Å; V16-L240 HydrophobicContact CG1-CB 3.88Å; V32-L240 HydrophobicContact CB-CB 4.49Å; V32-L240 HydrophobicContact CG1-CB 4.13Å; V34-L240 HydrophobicContact CB-CD2 3.94Å; V34-L240 HydrophobicContact CG1-CD1 4.2Å; V34-L240 HydrophobicContact CG1-CD2 4.31Å; V34-L240 HydrophobicContact CG2-CD2 4.02Å; Y42-L240 HydrophobicContact CD2-CD2 4.33Å; Y42-L240 HydrophobicContact CE2-CD2 4.11Å; D238-L240 PolarHBondContact O-N 3.15Å; D238-L240 PolarHBondContact OD1-N 3.29Å; D238-L240 VanDerWaalsContact OD1-N 3.08Å; L240-V242 VanDerWaalsContact C-N 3.34Å; L240-R243 PolarHBondContact O-N 3.33Å; L240-Q244 VanDerWaalsContact O-CB 3.31Å; L240-Q244 WeakPolarHBondContact O-CB 3.42Å; L240-Q244 PolarHBondContact O-N 2.98Å; L240-F300 HydrophobicContact CD1-CE2 4.07Å; L240-F300 HydrophobicContact CD2-CE2 3.77Å; L240-F300 HydrophobicContact CD2-CZ 4.34Å; L240-F300 HydrophobicContact CG-CD2 4.3Å; L240-F300 HydrophobicContact CG-CE2 3.78Å
241A98.8Very high98.7Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-64.1-42.6175.200000110.9V16 F19 V234 D238 A245V16-A241 HydrophobicContact CB-CB 3.9Å; V16-A241 HydrophobicContact CG1-CB 4.13Å; V16-A241 HydrophobicContact CG2-CB 4.2Å; F19-A241 HydrophobicContact CE1-CB 4.38Å; V234-A241 HydrophobicContact CG1-CB 4.22Å; D238-A241 HydrophobicContact CB-CB 3.88Å; D238-A241 WeakPolarHBondContact O-CB 3.37Å; D238-A241 PolarHBondContact O-N 3.44Å; A241-A245 VanDerWaalsContact O-CB 3.25Å; A241-A245 WeakPolarHBondContact O-CB 3.41Å; A241-A245 PolarHBondContact O-N 2.82Å
242V98.9Very high98.7Very high0 Ų018.7 Ų18.70%08%0.083CC..Hα-helixtrans-62.6-48.6176.5-179.80000110.9A77 M82 V234 A236 D238 L240 Q244 A245 T246 M264A77-V242 WeakPolarHBondContact O-CG1 3.39Å; M82-V242 HydrophobicContact CB-CG1 4.33Å; M82-V242 HydrophobicContact CG-CG1 3.56Å; M82-V242 VanDerWaalsContact N-CG1 3.35Å; V234-V242 HydrophobicContact CG1-CG2 4.3Å; A236-V242 HydrophobicContact CB-CG2 3.74Å; D238-V242 WeakPolarHBondContact O-CG2 3.2Å; D238-V242 PolarHBondContact O-N 2.6Å; L240-V242 VanDerWaalsContact C-N 3.34Å; V242-Q244 PolarHBondContact O-N 3.31Å; V242-A245 PolarHBondContact O-N 2.81Å; V242-T246 WeakPolarHBondContact O-CB 3.14Å; V242-T246 PolarHBondContact O-N 2.98Å; V242-T246 PolarHBondContact O-OG1 3.42Å; V242-M264 HydrophobicContact CG1-CE 3.97Å; V242-M264 HydrophobicContact CG1-SD 4.19Å; V242-M264 HydrophobicContact CG2-SD 4.28Å
243R98.8Very high98.7Very high16 Ų1618.9 Ų18.96%0.068%0.084CC..Hα-helixtrans-56.1-51.5177.5-173.9-166.775170.66.1111.5T33 E38 Y42 G81 A84 V239 L240 A245 T246 Q247T33-R243 PolarHBondContact O-NH2 2.98Å; E38-R243 IonicContact OE1-NH1 3.41Å; E38-R243 PolarHBondContact OE1-NH1 3.46Å; E38-R243 IonicContact OE2-NH1 3.57Å; E38-R243 PolarHBondContact OE2-NH1 3.45Å; Y42-R243 WeakPolarHBondContact OH-CD 3.2Å; Y42-R243 PolarHBondContact OH-NH1 3.37Å; Y42-R243 VanDerWaalsContact OH-NH1 3.16Å; G81-R243 WeakPolarHBondContact O-CA 3.29Å; A84-R243 HydrophobicContact CB-CG 3.9Å; V239-R243 WeakPolarHBondContact O-CB 3.3Å; V239-R243 PolarHBondContact O-N 3.02Å; L240-R243 PolarHBondContact O-N 3.33Å; R243-A245 PolarHBondContact O-N 2.83Å; R243-T246 PolarHBondContact O-N 3.05Å; R243-Q247 PolarHBondContact O-N 3.39Å
244Q98.7Very high98.6Very high31 Ų3118.1 Ų18.115%0.1458%0.082CC..Hα-helixtrans-63.3-43.4-177.1-171.860.360.400112.5F19 P28 D29 V32 L240 V242 T246 W248F19-Q244 HydrophobicContact CZ-CB 4.41Å; F19-Q244 HydrophobicContact CZ-CG 4.42Å; P28-Q244 HydrophobicContact CB-CG 3.88Å; D29-Q244 WeakPolarHBondContact O-CG 3.29Å; V32-Q244 HydrophobicContact CG1-CB 4.43Å; V32-Q244 HydrophobicContact CG2-CB 3.84Å; V32-Q244 HydrophobicContact CG2-CG 3.8Å; L240-Q244 VanDerWaalsContact O-CB 3.31Å; L240-Q244 WeakPolarHBondContact O-CB 3.42Å; L240-Q244 PolarHBondContact O-N 2.98Å; V242-Q244 PolarHBondContact O-N 3.31Å; Q244-T246 VanDerWaalsContact C-N 3.34Å; Q244-W248 WeakPolarHBondContact O-CB 3.45Å; Q244-W248 PolarHBondContact O-N 3.15Å; Q244-W248 VanDerWaalsContact O-N 3.12Å
245A98.9Very high98.5Very high0 Ų025 Ų250%011%0.113CC..Hα-helixtrans-63.5-40.7175.700000112.3F19 P28 L232 V234 A241 V242 R243 A249F19-A245 HydrophobicContact CD1-CB 4.37Å; F19-A245 HydrophobicContact CE1-CB 3.79Å; F19-A245 HydrophobicContact CZ-CB 4.47Å; P28-A245 HydrophobicContact CG-CB 4.44Å; L232-A245 HydrophobicContact CD2-CB 3.66Å; V234-A245 HydrophobicContact CB-CB 4.43Å; V234-A245 HydrophobicContact CG1-CB 4.07Å; V234-A245 HydrophobicContact CG2-CB 3.43Å; V234-A245 VanDerWaalsContact CG2-CB 3.43Å; A241-A245 VanDerWaalsContact O-CB 3.25Å; A241-A245 WeakPolarHBondContact O-CB 3.41Å; A241-A245 PolarHBondContact O-N 2.82Å; V242-A245 PolarHBondContact O-N 2.81Å; R243-A245 PolarHBondContact O-N 2.83Å; A245-A249 WeakPolarHBondContact O-CB 3.5Å; A245-A249 PolarHBondContact O-N 2.79Å
246T98.9Very high98.3Very high2 Ų225.5 Ų25.51%0.01213%0.126CC..Hα-helixtrans-67.9-45.4-178.5-55.40000111.3M82 M86 F171 V242 R243 Q244 W248 A249 G250M82-T246 HydrophobicContact CB-CG2 4.16Å; M82-T246 HydrophobicContact CG-CG2 4.34Å; M82-T246 WeakPolarHBondContact CG-OG1 3.44Å; M82-T246 WeakPolarHBondContact O-CG2 3.48Å; M86-T246 HydrophobicContact CG-CG2 4.03Å; F171-T246 HydrophobicContact CD1-CG2 4.33Å; F171-T246 HydrophobicContact CE1-CG2 3.57Å; F171-T246 HydrophobicContact CZ-CG2 3.73Å; V242-T246 WeakPolarHBondContact O-CB 3.14Å; V242-T246 PolarHBondContact O-N 2.98Å; V242-T246 PolarHBondContact O-OG1 3.42Å; R243-T246 PolarHBondContact O-N 3.05Å; Q244-T246 VanDerWaalsContact C-N 3.34Å; T246-W248 PolarHBondContact O-N 2.94Å; T246-A249 PolarHBondContact O-N 3.41Å; T246-G250 PolarHBondContact O-N 3.42Å
247Q98.7Very high98.3Very high89 Ų8927.9 Ų27.942%0.41614%0.143SC..Hα-helixtrans-57.7-50.2175.6-173.6-178.311.100110.8G85 R243 A249 G250 E251G85-Q247 VanDerWaalsContact O-CA 3.28Å; G85-Q247 WeakPolarHBondContact O-CA 3.23Å; G85-Q247 PolarHBondContact O-N 2.81Å; R243-Q247 PolarHBondContact O-N 3.39Å; Q247-A249 PolarHBondContact O-N 2.95Å; Q247-G250 PolarHBondContact O-N 3Å; Q247-E251 WeakPolarHBondContact O-CG 3.23Å; Q247-E251 PolarHBondContact O-N 3.39Å
248W98.6Very high98.2Very high55 Ų5527.3 Ų27.321%0.20814%0.14CC..Hα-helixtrans-62.2-43.5178.9-174.395.6000112.5L24 S26 G27 P28 Q244 T246 E251 Y252 L260L24-W248 HydrophobicContact CD1-CH2 3.62Å; L24-W248 HydrophobicContact CD1-CZ3 3.98Å; L24-W248 HydrophobicContact CD2-CH2 3.86Å; L24-W248 HydrophobicContact CG-CH2 4.34Å; S26-W248 WeakPolarHBondContact O-CZ2 3.27Å; G27-W248 PolarHBondContact O-NE1 3.28Å; P28-W248 HydrophobicContact CB-CB 3.81Å; P28-W248 HydrophobicContact CB-CG 3.94Å; P28-W248 HydrophobicContact CG-CB 3.81Å; P28-W248 HydrophobicContact CG-CD2 4.09Å; P28-W248 HydrophobicContact CG-CE3 4.39Å; P28-W248 HydrophobicContact CG-CG 3.83Å; Q244-W248 WeakPolarHBondContact O-CB 3.45Å; Q244-W248 PolarHBondContact O-N 3.15Å; Q244-W248 VanDerWaalsContact O-N 3.12Å; T246-W248 PolarHBondContact O-N 2.94Å; W248-E251 PolarHBondContact O-N 3.37Å; W248-Y252 AromaticContact CH2-CD2 3.7Å; W248-Y252 HydrophobicContact CH2-CD2 3.7Å; W248-Y252 HydrophobicContact CH2-CE2 4.33Å; W248-Y252 HydrophobicContact CH2-CG 4.24Å; W248-Y252 HydrophobicContact CZ2-CD2 4.25Å; W248-Y252 HydrophobicContact CZ3-CD2 4.18Å; W248-Y252 HydrophobicContact CZ3-CG 4.26Å; W248-Y252 WeakPolarHBondContact O-CB 3.44Å; W248-Y252 PolarHBondContact O-N 2.88Å; W248-L260 HydrophobicContact CE3-CD2 4.17Å; W248-L260 HydrophobicContact CZ3-CD1 4.2Å; W248-L260 HydrophobicContact CZ3-CD2 3.71Å
249A98.7Very high98.2Very high1 Ų126.7 Ų26.71%0.00814%0.136CC..Hα-helixtrans-64.2-40.6178.500000112.4V199 A245 T246 Q247 Y252 C253 L260 V262V199-A249 HydrophobicContact CG1-CB 4.08Å; V199-A249 HydrophobicContact CG2-CB 4.09Å; A245-A249 WeakPolarHBondContact O-CB 3.5Å; A245-A249 PolarHBondContact O-N 2.79Å; T246-A249 PolarHBondContact O-N 3.41Å; Q247-A249 PolarHBondContact O-N 2.95Å; A249-Y252 PolarHBondContact O-N 3.33Å; A249-C253 PolarHBondContact O-N 3.47Å; A249-C253 VanDerWaalsContact O-N 3.14Å; A249-C253 PolarHBondContact O-SG 3.34Å; A249-C253 VanDerWaalsContact O-SG 3.39Å; A249-L260 HydrophobicContact CB-CD2 3.49Å; A249-L260 VanDerWaalsContact CB-CD2 3.49Å; A249-V262 HydrophobicContact CB-CG2 4.11Å
250G98.6Very high98.2Very high2 Ų226.6 Ų26.62%0.02114%0.136CC..Hα-helixtrans-59.3-51.2172.500000111T246 Q247 Y252 C253 R254T246-G250 PolarHBondContact O-N 3.42Å; Q247-G250 PolarHBondContact O-N 3Å; G250-Y252 VanDerWaalsContact C-N 3.33Å; G250-Y252 PolarHBondContact O-N 2.89Å; G250-C253 PolarHBondContact O-N 3.11Å; G250-R254 VanDerWaalsContact O-CB 3.25Å; G250-R254 WeakPolarHBondContact O-CB 3.35Å; G250-R254 PolarHBondContact O-N 3.49Å; G250-R254 PolarHBondContact O-NH1 2.96Å
251E98.3Very high98.2Very high54 Ų5426.6 Ų26.625%0.25214%0.136SC..Hα-helixtrans-60-42.5177.3-68.8-46140.200112.6Q87 Q247 W248 C253 R254 H255Q87-E251 PolarHBondContact NE2-OE1 3.27Å; Q247-E251 WeakPolarHBondContact O-CG 3.23Å; Q247-E251 PolarHBondContact O-N 3.39Å; W248-E251 PolarHBondContact O-N 3.37Å; E251-C253 VanDerWaalsContact C-N 3.3Å; E251-C253 PolarHBondContact O-N 3.41Å; E251-R254 PolarHBondContact O-N 2.95Å; E251-R254 IonicContact OE1-CZ 3.87Å; E251-R254 IonicContact OE1-NH1 2.83Å; E251-R254 PolarHBondContact OE1-NH1 3.45Å; E251-R254 IonicContact OE2-NH1 3.05Å; E251-R254 PolarHBondContact OE2-NH1 3.14Å; E251-H255 WeakPolarHBondContact O-CB 3.36Å; E251-H255 PolarHBondContact O-N 3Å; E251-H255 PolarHBondContact O-ND1 2.88Å; E251-H255 IonicContact OE2-CE1 3.63Å
252Y98.2Very high98.2Very high44 Ų4426.7 Ų26.717%0.17314%0.137CC..Hα-helixtrans-54.5-48.7177.2-178.7-89000111.7L24 W248 A249 G250 S257 L260L24-Y252 HydrophobicContact CD2-CE2 3.94Å; W248-Y252 AromaticContact CH2-CD2 3.7Å; W248-Y252 HydrophobicContact CH2-CD2 3.7Å; W248-Y252 HydrophobicContact CH2-CE2 4.33Å; W248-Y252 HydrophobicContact CH2-CG 4.24Å; W248-Y252 HydrophobicContact CZ2-CD2 4.25Å; W248-Y252 HydrophobicContact CZ3-CD2 4.18Å; W248-Y252 HydrophobicContact CZ3-CG 4.26Å; W248-Y252 WeakPolarHBondContact O-CB 3.44Å; W248-Y252 PolarHBondContact O-N 2.88Å; A249-Y252 PolarHBondContact O-N 3.33Å; G250-Y252 VanDerWaalsContact C-N 3.33Å; G250-Y252 PolarHBondContact O-N 2.89Å; Y252-S257 VanDerWaalsContact O-CB 3.25Å; Y252-S257 WeakPolarHBondContact O-CB 3.47Å; Y252-S257 PolarHBondContact O-N 2.96Å; Y252-S257 PolarHBondContact O-OG 3.49Å; Y252-L260 HydrophobicContact CD1-CB 4.14Å; Y252-L260 HydrophobicContact CD1-CD1 4.2Å; Y252-L260 HydrophobicContact CE1-CB 4.46Å; Y252-L260 HydrophobicContact CE1-CD1 4.19Å
253C98.3Very high98.2Very high3 Ų327 Ų272%0.0214%0.138CC..Iπ-helixtrans-67.5-44.2179-70.70000112V169 P197 V199 A249 G250 E251 H255 G256 G258V169-C253 HydrophobicContact CG1-CB 3.99Å; V169-C253 HydrophobicContact CG2-CB 3.85Å; P197-C253 HydrophobicContact CB-CB 4.3Å; V199-C253 HydrophobicContact CG2-CB 4.48Å; V199-C253 WeakPolarHBondContact CG2-SG 3.35Å; A249-C253 PolarHBondContact O-N 3.47Å; A249-C253 VanDerWaalsContact O-N 3.14Å; A249-C253 PolarHBondContact O-SG 3.34Å; A249-C253 VanDerWaalsContact O-SG 3.39Å; G250-C253 PolarHBondContact O-N 3.11Å; E251-C253 VanDerWaalsContact C-N 3.3Å; E251-C253 PolarHBondContact O-N 3.41Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 2.78Å; C253-G256 PolarHBondContact O-N 3.33Å; C253-G258 PolarHBondContact SG-O 2.97Å; C253-G258 VanDerWaalsContact SG-O 3.34Å
254R97.3Very high98.2Very high28 Ų2826.3 Ų26.311%0.10614%0.135CC..Iπ-helixtrans-64.7-32-177.7-172.5172.9-52.797.40.8113.7Q87 D90 K167 V169 G250 E251 G256Q87-R254 VanDerWaalsContact CD-CZ 3.45Å; D90-R254 IonicContact OD1-NH2 2.79Å; D90-R254 IonicContact OD2-NH2 3.58Å; D90-R254 PolarHBondContact OD2-NH2 3.46Å; D90-R254 VanDerWaalsContact OD2-NH2 3.11Å; K167-R254 HydrophobicContact CB-CG 4.03Å; K167-R254 HydrophobicContact CD-CG 4.35Å; K167-R254 VanDerWaalsContact O-CD 3.29Å; K167-R254 WeakPolarHBondContact O-CD 3.24Å; K167-R254 VanDerWaalsContact O-CG 3.25Å; K167-R254 WeakPolarHBondContact O-CG 3.28Å; K167-R254 PolarHBondContact O-NE 3.39Å; V169-R254 HydrophobicContact CG2-CB 4.21Å; G250-R254 VanDerWaalsContact O-CB 3.25Å; G250-R254 WeakPolarHBondContact O-CB 3.35Å; G250-R254 PolarHBondContact O-N 3.49Å; G250-R254 PolarHBondContact O-NH1 2.96Å; E251-R254 PolarHBondContact O-N 2.95Å; E251-R254 IonicContact OE1-CZ 3.87Å; E251-R254 IonicContact OE1-NH1 2.83Å; E251-R254 PolarHBondContact OE1-NH1 3.45Å; E251-R254 IonicContact OE2-NH1 3.05Å; E251-R254 PolarHBondContact OE2-NH1 3.14Å; R254-G256 PolarHBondContact O-N 3.19Å
255H96Very high98.2Very high143 Ų14325.4 Ų25.466%0.66213%0.133SC*.Iπ-helixtrans-71.8-3.3171.8-70.9117.9000113.7E251 C253E251-H255 WeakPolarHBondContact O-CB 3.36Å; E251-H255 PolarHBondContact O-N 3Å; E251-H255 PolarHBondContact O-ND1 2.88Å; E251-H255 IonicContact OE2-CE1 3.63Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 2.78Å
256G95.6Very high98.3Very high41 Ų4125.7 Ų25.742%0.42314%0.135SC..Iπ-helixtrans85.114.917600000114.3C253 R254 G258C253-G256 PolarHBondContact O-N 3.33Å; R254-G256 PolarHBondContact O-N 3.19Å; G256-G258 PolarHBondContact O-N 3.49Å; G256-G258 VanDerWaalsContact O-N 3.16Å
257S96.9Very high98.2Very high50 Ų5026.2 Ų26.235%0.3514%0.137SC..Iπ-helixtrans-66.6-11173.7-52.90000112.9Y252Y252-S257 VanDerWaalsContact O-CB 3.25Å; Y252-S257 WeakPolarHBondContact O-CB 3.47Å; Y252-S257 PolarHBondContact O-N 2.96Å; Y252-S257 PolarHBondContact O-OG 3.49Å
258G98.1Very high98.2Very high0 Ų022 Ų220%012%0.117CC..  trans89.5-158.9-177.600000111.6L196 C253 G256L196-G258 CarbonylContact O-C 3.59Å; C253-G258 PolarHBondContact SG-O 2.97Å; C253-G258 VanDerWaalsContact SG-O 3.34Å; G256-G258 PolarHBondContact O-N 3.49Å; G256-G258 VanDerWaalsContact O-N 3.16Å
259P98.8Very high98.2Very high0 Ų019.8 Ų19.80%011%0.109CC..  trans-74.6162.2-172.531.7-37.9000112.7A191 K192 C198 F200 I229A191-P259 HydrophobicContact CB-CB 4.05Å; A191-P259 HydrophobicContact CB-CG 3.92Å; A191-P259 WeakPolarHBondContact O-CD 3.32Å; K192-P259 HydrophobicContact CB-CG 4.18Å; K192-P259 HydrophobicContact CD-CG 4.31Å; C198-P259 WeakPolarHBondContact O-CA 3.03Å; C198-P259 VanDerWaalsContact O-CB 3.27Å; C198-P259 WeakPolarHBondContact O-CB 3.41Å; F200-P259 HydrophobicContact CD2-CB 4.08Å; F200-P259 HydrophobicContact CE2-CB 3.66Å; F200-P259 HydrophobicContact CE2-CG 4.42Å; I229-P259 HydrophobicContact CD1-CG 3.97Å; I229-P259 HydrophobicContact CG1-CG 4.35Å; I229-P259 HydrophobicContact CG2-CB 4.34Å; I229-P259 HydrophobicContact CG2-CG 4.15Å; I229-P259 WeakPolarHBondContact CG2-O 3.18Å
260L98.8Very high98.2Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-135144.2174.9-170.777000110.2L24 C198 V199 F200 P230 W248 A249 Y252 V262L24-L260 HydrophobicContact CD1-CD1 4.2Å; C198-L260 PolarHBondContact O-N 3.19Å; V199-L260 CarbonylContact C-O 3.46Å; V199-L260 WeakPolarHBondContact CA-O 3.22Å; F200-L260 PolarHBondContact N-O 3.24Å; P230-L260 HydrophobicContact CB-CD1 3.94Å; P230-L260 WeakPolarHBondContact O-CD1 3.43Å; W248-L260 HydrophobicContact CE3-CD2 4.17Å; W248-L260 HydrophobicContact CZ3-CD1 4.2Å; W248-L260 HydrophobicContact CZ3-CD2 3.71Å; A249-L260 HydrophobicContact CB-CD2 3.49Å; A249-L260 VanDerWaalsContact CB-CD2 3.49Å; Y252-L260 HydrophobicContact CD1-CB 4.14Å; Y252-L260 HydrophobicContact CD1-CD1 4.2Å; Y252-L260 HydrophobicContact CE1-CB 4.46Å; Y252-L260 HydrophobicContact CE1-CD1 4.19Å; L260-V262 HydrophobicContact CD2-CG2 3.79Å; L260-V262 HydrophobicContact CG-CG2 4.32Å
261V98.9Very high98.2Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-97.1133.4167.5-174.50000110M188 F200 I229 P230 G231 L232M188-V261 HydrophobicContact CE-CG2 3.89Å; F200-V261 HydrophobicContact CB-CG2 4.32Å; F200-V261 CarbonylContact O-C 3.46Å; F200-V261 WeakPolarHBondContact O-CA 3.26Å; I229-V261 HydrophobicContact CB-CG2 4.21Å; I229-V261 HydrophobicContact CG2-CG2 3.88Å; P230-V261 PolarHBondContact O-N 3.36Å; G231-V261 CarbonylContact C-O 3.22Å; G231-V261 WeakPolarHBondContact CA-O 3.44Å; L232-V261 PolarHBondContact N-O 2.92Å
262V98.9Very high98.2Very high2 Ų221.3 Ų21.31%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-126.4123174.5-176.30000109.1V199 F200 V201 C202 L232 V234 A249 L260 M264V199-V262 HydrophobicContact CG1-CB 4.36Å; V199-V262 HydrophobicContact CG1-CG2 3.61Å; F200-V262 PolarHBondContact O-N 3.47Å; V201-V262 CarbonylContact C-O 3.32Å; V201-V262 VanDerWaalsContact CA-O 3.29Å; V201-V262 WeakPolarHBondContact CA-O 3.43Å; V201-V262 HydrophobicContact CG2-CB 4.39Å; C202-V262 PolarHBondContact N-O 2.9Å; L232-V262 HydrophobicContact CB-CG2 4.33Å; L232-V262 CarbonylContact O-C 3.41Å; L232-V262 VanDerWaalsContact O-CA 3.3Å; L232-V262 WeakPolarHBondContact O-CA 3.46Å; V234-V262 HydrophobicContact CG2-CG1 3.67Å; A249-V262 HydrophobicContact CB-CG2 4.11Å; L260-V262 HydrophobicContact CD2-CG2 3.79Å; L260-V262 HydrophobicContact CG-CG2 4.32Å; V262-M264 HydrophobicContact CG1-CE 3.67Å; V262-M264 HydrophobicContact CG1-CG 4.47Å; V262-M264 HydrophobicContact CG1-SD 4.1Å
263E98.9Very high98.2Very high6 Ų619.7 Ų19.73%0.02811%0.11CC..EExtended strand (participates in β ladder)trans-94.8115.4169.6-177.1-176.5158.300109.7C202 N204 Y222 Y223 L232 W233 V234 A265C202-E263 WeakPolarHBondContact O-CA 3.39Å; N204-E263 HydrophobicContact CB-CG 3.98Å; N204-E263 PolarHBondContact ND2-OE1 3.31Å; Y222-E263 WeakPolarHBondContact CA-OE2 3.27Å; Y222-E263 WeakPolarHBondContact CB-OE2 3.34Å; Y222-E263 PolarHBondContact N-OE2 2.76Å; Y223-E263 WeakPolarHBondContact CD1-OE2 3.31Å; Y223-E263 PolarHBondContact N-OE2 3.29Å; Y223-E263 VanDerWaalsContact N-OE2 3.1Å; L232-E263 PolarHBondContact O-N 2.98Å; W233-E263 PolarHBondContact NE1-OE1 2.71Å; V234-E263 PolarHBondContact N-O 3.2Å; E263-A265 PolarHBondContact O-N 2.63Å
264M98.9Very high98.1Very high2 Ų221.3 Ų21.31%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-91.196.1171.7-65.3-60.9-175.400108.6V78 M82 V201 C202 N204 V234 A236 V242 V262 T266V78-M264 HydrophobicContact CG1-CB 4.33Å; V78-M264 HydrophobicContact CG1-CG 4.2Å; V78-M264 HydrophobicContact CG2-CB 4.44Å; M82-M264 HydrophobicContact CG-CE 3.85Å; M82-M264 HydrophobicContact SD-CE 3.93Å; V201-M264 HydrophobicContact CG1-CE 4.45Å; V201-M264 HydrophobicContact CG1-CG 3.64Å; C202-M264 PolarHBondContact O-N 2.92Å; N204-M264 PolarHBondContact N-O 3.06Å; V234-M264 HydrophobicContact CB-SD 3.77Å; V234-M264 HydrophobicContact CG1-SD 3.91Å; V234-M264 HydrophobicContact CG2-SD 4.08Å; A236-M264 HydrophobicContact CB-CB 3.56Å; A236-M264 HydrophobicContact CB-CG 4.25Å; A236-M264 HydrophobicContact CB-SD 3.89Å; V242-M264 HydrophobicContact CG1-CE 3.97Å; V242-M264 HydrophobicContact CG1-SD 4.19Å; V242-M264 HydrophobicContact CG2-SD 4.28Å; V262-M264 HydrophobicContact CG1-CE 3.67Å; V262-M264 HydrophobicContact CG1-CG 4.47Å; V262-M264 HydrophobicContact CG1-SD 4.1Å; M264-T266 PolarHBondContact O-N 2.65Å
265A98.8Very high98Very high11 Ų1124.2 Ų24.29%0.09114%0.143CC..EExtended strand (participates in β ladder)trans-77.4103.6177.600000110.1W233 V234 A236 E263W233-A265 HydrophobicContact CH2-CB 4.29Å; W233-A265 HydrophobicContact CZ2-CB 3.35Å; V234-A265 WeakPolarHBondContact O-CB 3.27Å; V234-A265 PolarHBondContact O-N 3.37Å; A236-A265 WeakPolarHBondContact CA-O 3.13Å; A236-A265 PolarHBondContact N-O 2.95Å; E263-A265 PolarHBondContact O-N 2.63Å
266T98.9Very high98.1Very high7 Ų718.8 Ų18.84%0.04312%0.119CC..  trans-132.6-167-171.7-168.50000110.7Q75 V78 N204 N205 M237 M264Q75-T266 WeakPolarHBondContact CA-OG1 3.2Å; Q75-T266 HydrophobicContact CB-CG2 4.38Å; Q75-T266 HydrophobicContact CG-CG2 3.76Å; V78-T266 HydrophobicContact CG2-CG2 4.04Å; N204-T266 PolarHBondContact O-N 3.17Å; N205-T266 HydrophobicContact CB-CG2 4.16Å; M237-T266 VanDerWaalsContact SD-CA 3.58Å; M237-T266 PolarHBondContact SD-OG1 2.78Å; M237-T266 VanDerWaalsContact SD-OG1 3.42Å; M264-T266 PolarHBondContact O-N 2.65Å
267Y98.8Very high98.1Very high12 Ų1221.9 Ų21.95%0.04713%0.131CC..  trans-154.7141.1176.5-159.4-92.4000112.5G74 Q75 Y207 Y269 R282 E286 I287 V290G74-Y267 CarbonylContact C-O 3.45Å; G74-Y267 VanDerWaalsContact CA-O 3.31Å; G74-Y267 WeakPolarHBondContact CA-O 3.28Å; G74-Y267 VanDerWaalsContact O-O 3.1Å; Q75-Y267 WeakPolarHBondContact CG-O 3.49Å; Y207-Y267 HydrophobicContact CE2-CE2 4.15Å; Y267-Y269 HydrophobicContact CD1-CD1 4.13Å; Y267-Y269 HydrophobicContact CD1-CE1 4.45Å; Y267-R282 VanDerWaalsContact CZ-NH1 3.31Å; Y267-R282 WeakPolarHBondContact OH-CD 3.28Å; Y267-R282 PolarHBondContact OH-NH1 2.76Å; Y267-R282 VanDerWaalsContact OH-NH1 3.15Å; Y267-E286 WeakPolarHBondContact CE2-OE1 3.33Å; Y267-E286 PolarHBondContact OH-OE1 2.9Å; Y267-I287 HydrophobicContact CE1-CG1 4.14Å; Y267-V290 HydrophobicContact CD1-CB 4.24Å; Y267-V290 HydrophobicContact CD1-CG1 3.9Å; Y267-V290 HydrophobicContact CD1-CG2 4.46Å; Y267-V290 HydrophobicContact CD2-CG1 4.4Å; Y267-V290 HydrophobicContact CD2-CG2 4.21Å; Y267-V290 HydrophobicContact CE2-CG2 4.25Å; Y267-V290 HydrophobicContact CG-CB 4.36Å; Y267-V290 HydrophobicContact CG-CG1 3.76Å; Y267-V290 HydrophobicContact CG-CG2 4.3Å
268R98.6Very high98.1Very high0 Ų019.5 Ų19.50%012%0.115CC..  trans-100.7128.6172.757.9176.7176.985.5-4.2111.7N205 Y207 M209 F270 G271 H272 Y281 R282N205-R268 HydrophobicContact CB-CG 4.24Å; Y207-R268 VanDerWaalsContact CB-NH2 3.32Å; M209-R268 PolarHBondContact O-NH2 3.12Å; R268-F270 PolarHBondContact NH1-O 2.84Å; R268-G271 PolarHBondContact NH1-O 2.97Å; R268-H272 VanDerWaalsContact NH1-N 3.13Å; R268-Y281 PolarHBondContact NH1-OH 2.77Å; R268-Y281 VanDerWaalsContact NH1-OH 3.12Å; R268-Y281 PolarHBondContact NH2-OH 2.55Å; R268-Y281 VanDerWaalsContact NH2-OH 3.11Å; R268-R282 PolarHBondContact O-NH1 3.32Å; R268-R282 PolarHBondContact O-NH2 2.92Å
269Y98.4Very high97.9Very high10 Ų1022.7 Ų22.74%0.03913%0.134CC..SBendtrans-77-35.6180-62.7-28.3000113.8S73 G74 Y267 I287 V290 R291 D295S73-Y269 PolarHBondContact O-N 2.89Å; G74-Y269 VanDerWaalsContact CA-CE2 3.43Å; Y267-Y269 HydrophobicContact CD1-CD1 4.13Å; Y267-Y269 HydrophobicContact CD1-CE1 4.45Å; Y269-I287 HydrophobicContact CD1-CG2 4.42Å; Y269-V290 HydrophobicContact CE1-CG1 4.34Å; Y269-R291 HydrophobicContact CD1-CB 4.43Å; Y269-R291 HydrophobicContact CE1-CB 3.92Å; Y269-R291 HydrophobicContact CE1-CG 4.42Å; Y269-R291 HydrophobicContact CE2-CG 4.24Å; Y269-D295 WeakPolarHBondContact CE2-OD2 3.45Å; Y269-D295 VanDerWaalsContact OH-CA 3.27Å; Y269-D295 WeakPolarHBondContact OH-CA 3.41Å; Y269-D295 VanDerWaalsContact OH-CB 3.23Å; Y269-D295 WeakPolarHBondContact OH-CB 3.23Å; Y269-D295 VanDerWaalsContact OH-CG 3.29Å; Y269-D295 PolarHBondContact OH-OD2 3.05Å
270F97.8Very high97.8Very high59 Ų5927.8 Ų27.826%0.25917%0.17SC..SBendtrans-82.1164175.4-68.2-89.7000110.7L71 R268 R282L71-F270 HydrophobicContact CB-CB 4.38Å; L71-F270 HydrophobicContact CB-CD2 3.87Å; L71-F270 HydrophobicContact CB-CE2 4.42Å; L71-F270 HydrophobicContact CB-CG 4.19Å; L71-F270 HydrophobicContact CD1-CB 4.41Å; L71-F270 HydrophobicContact CD1-CD1 3.71Å; L71-F270 HydrophobicContact CD1-CD2 3.71Å; L71-F270 HydrophobicContact CD1-CE1 3.77Å; L71-F270 HydrophobicContact CD1-CE2 3.77Å; L71-F270 HydrophobicContact CD1-CG 3.67Å; L71-F270 HydrophobicContact CD1-CZ 3.8Å; L71-F270 HydrophobicContact CG-CD2 4.44Å; L71-F270 HydrophobicContact CG-CG 4.47Å; R268-F270 PolarHBondContact NH1-O 2.84Å; F270-R282 PolarHBondContact O-NH2 3.26Å
271G98Very high97.7Very high5 Ų529.8 Ų29.85%0.05218%0.178CC..  trans-57.8-175.5166.300000112.2R268 S273 D276R268-G271 PolarHBondContact NH1-O 2.97Å; G271-S273 VanDerWaalsContact C-N 3.31Å; G271-S273 PolarHBondContact O-N 3.49Å; G271-D276 WeakPolarHBondContact CA-O 3.38Å
272H98.5Very high97.7Very high25 Ų2530.4 Ų30.412%0.11618%0.18CC..SBendtrans-56.1-50.4-175.1-179.464.5000111.2H70 Y96 R97 M209 R268 D276H70-H272 PolarHBondContact CD2-O 3.4Å; H70-H272 VanDerWaalsContact CD2-O 3.31Å; Y96-H272 AromaticContact CE2-CE1 3.95Å; Y96-H272 AromaticContact CZ-CE1 3.8Å; Y96-H272 PolarHBondContact OH-CE1 2.85Å; R97-H272 PolarHBondContact NH1-O 2.9Å; R97-H272 PolarHBondContact NH2-O 3.2Å; M209-H272 WeakPolarHBondContact CA-ND1 3.36Å; M209-H272 HydrophobicContact CG-CB 4.14Å; R268-H272 VanDerWaalsContact NH1-N 3.13Å; H272-D276 HydrophobicContact CB-CB 4.11Å; H272-D276 WeakPolarHBondContact CB-OD2 3.35Å; H272-D276 PolarHBondContact N-OD2 3.3Å
273S97.9Very high97.6Very high9 Ų933.9 Ų33.96%0.06320%0.201CC..SBendtrans-137.7177.8173.868.40000109C69 G271 S275 D276C69-S273 CarbonylContact O-C 3.51Å; C69-S273 VanDerWaalsContact O-CA 3.31Å; C69-S273 WeakPolarHBondContact O-CA 3.28Å; G271-S273 VanDerWaalsContact C-N 3.31Å; G271-S273 PolarHBondContact O-N 3.49Å; S273-S275 PolarHBondContact O-N 3.24Å; S273-S275 VanDerWaalsContact O-N 3.11Å; S273-S275 PolarHBondContact OG-N 3.07Å; S273-S275 PolarHBondContact OG-OG 3.28Å; S273-D276 PolarHBondContact O-N 2.78Å
274M97.7Very high97.5Very high38 Ų3841.8 Ų41.819%0.18723%0.231CC..THydrogen-bonded Turntrans-61.2-16.6175.5-71.8-58.1-62.800114.9S57 Y60 K61 C69 L71S57-M274 VanDerWaalsContact OG-CE 3.31Å; S57-M274 WeakPolarHBondContact OG-CE 3.4Å; Y60-M274 HydrophobicContact CD1-CB 3.47Å; Y60-M274 VanDerWaalsContact CD1-CB 3.47Å; Y60-M274 HydrophobicContact CD1-CE 4.1Å; Y60-M274 HydrophobicContact CD1-CG 3.98Å; Y60-M274 HydrophobicContact CD2-CB 3.83Å; Y60-M274 HydrophobicContact CD2-CG 3.94Å; Y60-M274 HydrophobicContact CE1-CB 3.5Å; Y60-M274 HydrophobicContact CE1-CG 4.46Å; Y60-M274 HydrophobicContact CE2-CB 3.86Å; Y60-M274 HydrophobicContact CE2-CG 4.42Å; Y60-M274 HydrophobicContact CG-CB 3.65Å; Y60-M274 HydrophobicContact CG-CE 4.31Å; Y60-M274 HydrophobicContact CG-CG 3.7Å; K61-M274 HydrophobicContact CG-CE 4.26Å; C69-M274 HydrophobicContact CB-CB 4.31Å; C69-M274 HydrophobicContact CB-CG 3.77Å; C69-M274 PolarHBondContact O-N 2.9Å; L71-M274 HydrophobicContact CD1-SD 3.49Å; L71-M274 WeakPolarHBondContact CD1-SD 3.49Å; L71-M274 HydrophobicContact CG-SD 4.07Å
275S95.4Very high97.4Very high89 Ų8948.1 Ų48.162%0.62226%0.261SS*.THydrogen-bonded Turntrans-84.6-10.3173.165.10000113.6S273S273-S275 PolarHBondContact O-N 3.24Å; S273-S275 VanDerWaalsContact O-N 3.11Å; S273-S275 PolarHBondContact OG-N 3.07Å; S273-S275 PolarHBondContact OG-OG 3.28Å
276D97.4Very high97.4Very high28 Ų2850.4 Ų50.415%0.1527%0.27CS..  trans-107113.3179173.725.6000110.3G271 H272 S273 G278 Y281G271-D276 WeakPolarHBondContact CA-O 3.38Å; H272-D276 HydrophobicContact CB-CB 4.11Å; H272-D276 WeakPolarHBondContact CB-OD2 3.35Å; H272-D276 PolarHBondContact N-OD2 3.3Å; S273-D276 PolarHBondContact O-N 2.78Å; D276-G278 PolarHBondContact O-N 2.83Å; D276-G278 WeakPolarHBondContact OD1-CA 3.44Å; D276-G278 PolarHBondContact OD1-N 3.25Å; D276-Y281 WeakPolarHBondContact OD2-CE1 3.34Å; D276-Y281 PolarHBondContact OD2-OH 3.31Å
277P95.6Very high97.4Very high106 Ų10650.9 Ų50.969%0.68827%0.271SS*.  trans-62.6-23.4173.3-23.234.6000113.8T279P277-T279 VanDerWaalsContact C-N 3.34Å; P277-T279 PolarHBondContact O-N 2.81Å
278G96.2Very high97.3Very high0 Ų055.7 Ų55.70%030%0.295CS..SBendtrans73.518.2177.100000115.5D276 Y281 R282D276-G278 PolarHBondContact O-N 2.83Å; D276-G278 WeakPolarHBondContact OD1-CA 3.44Å; D276-G278 PolarHBondContact OD1-N 3.25Å; G278-Y281 WeakPolarHBondContact CA-OH 3.5Å; G278-R282 WeakPolarHBondContact O-CG 3.12Å; G278-R282 PolarHBondContact O-NE 2.47Å
279T94.8Very high97.3Very high67 Ų6760.9 Ų60.941%0.41132%0.319SS..  trans-109.8-2.1-177.158.70000114.4P277 R282 R284P277-T279 VanDerWaalsContact C-N 3.34Å; P277-T279 PolarHBondContact O-N 2.81Å; T279-R282 CarbonylContact C-O 3.5Å; T279-R284 HydrophobicContact CG2-CG 3.98Å
280S96.6Very high97.3Very high108 Ų10861 Ų6176%0.75532%0.32SS*.SBendtrans-86.4-15.7-179.854.80000113.7
281Y97.6Very high97.3Very high41 Ų4162.9 Ų62.916%0.16133%0.326CS..SBendtrans-129.60.9-174.154.2-99.5000114Y207 M209 G210 R268 D276 G278Y207-Y281 AromaticContact CD1-CD2 3.6Å; Y207-Y281 HydrophobicContact CD1-CD2 3.6Å; Y207-Y281 AromaticContact CD1-CE2 3.94Å; Y207-Y281 HydrophobicContact CD1-CE2 3.94Å; Y207-Y281 AromaticContact CE1-CD2 3.87Å; Y207-Y281 HydrophobicContact CE1-CD2 3.87Å; Y207-Y281 HydrophobicContact CE1-CE2 4.47Å; Y207-Y281 HydrophobicContact CG-CD2 4.19Å; Y207-Y281 HydrophobicContact CG-CE2 4.06Å; M209-Y281 PolarHBondContact O-OH 3.2Å; G210-Y281 VanDerWaalsContact CA-CD1 3.48Å; G210-Y281 VanDerWaalsContact O-CB 3.29Å; G210-Y281 WeakPolarHBondContact O-CB 3.32Å; R268-Y281 PolarHBondContact NH1-OH 2.77Å; R268-Y281 VanDerWaalsContact NH1-OH 3.12Å; R268-Y281 PolarHBondContact NH2-OH 2.55Å; R268-Y281 VanDerWaalsContact NH2-OH 3.11Å; D276-Y281 WeakPolarHBondContact OD2-CE1 3.34Å; D276-Y281 PolarHBondContact OD2-OH 3.31Å; G278-Y281 WeakPolarHBondContact CA-OH 3.5Å
282R97.4Very high97.3Very high13 Ų1369.8 Ų69.85%0.04935%0.354CS..SBendtrans-158.4155.6175.762.1-175.4-177.9167.34.8109.7Y207 Y267 R268 F270 G278 T279 I287Y207-R282 HydrophobicContact CE1-CB 4.08Å; Y207-R282 HydrophobicContact CE2-CB 4.27Å; Y207-R282 VanDerWaalsContact OH-CB 3.3Å; Y207-R282 WeakPolarHBondContact OH-CB 3.5Å; Y267-R282 VanDerWaalsContact CZ-NH1 3.31Å; Y267-R282 WeakPolarHBondContact OH-CD 3.28Å; Y267-R282 PolarHBondContact OH-NH1 2.76Å; Y267-R282 VanDerWaalsContact OH-NH1 3.15Å; R268-R282 PolarHBondContact O-NH1 3.32Å; R268-R282 PolarHBondContact O-NH2 2.92Å; F270-R282 PolarHBondContact O-NH2 3.26Å; G278-R282 WeakPolarHBondContact O-CG 3.12Å; G278-R282 PolarHBondContact O-NE 2.47Å; T279-R282 CarbonylContact C-O 3.5Å; R282-I287 HydrophobicContact CG-CD1 4.46Å
283T97.4Very high97.2Very high75 Ų7573.8 Ų73.846%0.4637%0.373SS..  trans-85.1158-174.567.20000111.5E285 E286T283-E285 WeakPolarHBondContact CB-OE2 3.32Å; T283-E285 PolarHBondContact O-N 2.85Å; T283-E286 WeakPolarHBondContact OG1-CB 3.32Å; T283-E286 PolarHBondContact OG1-N 2.82Å
284R96.7Very high97.2Very high172 Ų17278.8 Ų78.865%0.64939%0.39SS*.Hα-helixtrans-67.6-33.4172.9-71.3-178.7177.11770.6110.2T279 I287 Q288T279-R284 HydrophobicContact CG2-CG 3.98Å; R284-I287 PolarHBondContact O-N 3.08Å; R284-Q288 VanDerWaalsContact O-CG 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.24Å; R284-Q288 PolarHBondContact O-N 3.26Å
285E97.9Very high97.2Very high136 Ų13677.2 Ų77.264%0.63638%0.383SS*.Hα-helixtrans-60.7-44.3177.9-65.266.3-145.600110.9T283 I287 Q288 E289T283-E285 WeakPolarHBondContact CB-OE2 3.32Å; T283-E285 PolarHBondContact O-N 2.85Å; E285-I287 PolarHBondContact O-N 2.84Å; E285-Q288 PolarHBondContact O-N 2.83Å; E285-E289 VanDerWaalsContact O-CB 3.29Å; E285-E289 WeakPolarHBondContact O-CB 2.97Å; E285-E289 PolarHBondContact O-N 3.27Å
286E98Very high97.4Very high59 Ų5973 Ų7328%0.27635%0.354SS..Hα-helixtrans-57.8-47.8175-178.1-168.8132.700111.7Y207 Y267 T283 Q288 E289 V290Y207-E286 WeakPolarHBondContact CE2-OE1 3.48Å; Y207-E286 VanDerWaalsContact OH-CD 3.28Å; Y207-E286 PolarHBondContact OH-OE1 3.29Å; Y207-E286 PolarHBondContact OH-OE2 2.99Å; Y267-E286 WeakPolarHBondContact CE2-OE1 3.33Å; Y267-E286 PolarHBondContact OH-OE1 2.9Å; T283-E286 WeakPolarHBondContact OG1-CB 3.32Å; T283-E286 PolarHBondContact OG1-N 2.82Å; E286-Q288 VanDerWaalsContact C-N 3.34Å; E286-Q288 PolarHBondContact O-N 3.41Å; E286-E289 PolarHBondContact O-N 3.25Å; E286-V290 WeakPolarHBondContact O-CG2 3.28Å; E286-V290 PolarHBondContact O-N 3.27Å
287I98Very high97.5Very high16 Ų1672.4 Ų72.48%0.08235%0.35CS..Hα-helixtrans-63.6-42.9-179.7-59.2168.9000110.6Y267 Y269 R282 R284 E285 R291Y267-I287 HydrophobicContact CE1-CG1 4.14Å; Y269-I287 HydrophobicContact CD1-CG2 4.42Å; R282-I287 HydrophobicContact CG-CD1 4.46Å; R284-I287 PolarHBondContact O-N 3.08Å; E285-I287 PolarHBondContact O-N 2.84Å; I287-R291 WeakPolarHBondContact O-CB 3.49Å; I287-R291 PolarHBondContact O-N 2.89Å
288Q97.8Very high97.6Very high114 Ų11470.2 Ų70.253%0.53334%0.335SS..Hα-helixtrans-67-39.5178.6-68.5-58.7-25.200111.9R284 E285 E286 R291 K292R284-Q288 VanDerWaalsContact O-CG 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.24Å; R284-Q288 PolarHBondContact O-N 3.26Å; E285-Q288 PolarHBondContact O-N 2.83Å; E286-Q288 VanDerWaalsContact C-N 3.34Å; E286-Q288 PolarHBondContact O-N 3.41Å; Q288-R291 PolarHBondContact O-N 3.43Å; Q288-K292 WeakPolarHBondContact O-CB 3.5Å; Q288-K292 PolarHBondContact O-N 2.87Å
289E98Very high97.7Very high109 Ų10971.7 Ų71.751%0.50935%0.35SS..Hα-helixtrans-61.7-48.5177.1-175.661.4-161.600110.9E285 E286 R291 K292 H293E285-E289 VanDerWaalsContact O-CB 3.29Å; E285-E289 WeakPolarHBondContact O-CB 2.97Å; E285-E289 PolarHBondContact O-N 3.27Å; E286-E289 PolarHBondContact O-N 3.25Å; E289-R291 PolarHBondContact O-N 3.39Å; E289-K292 PolarHBondContact O-N 3.42Å; E289-H293 WeakPolarHBondContact O-CB 3.49Å; E289-H293 PolarHBondContact O-CD2 2.98Å; E289-H293 PolarHBondContact O-N 3.33Å; E289-H293 IonicContact OE1-CD2 3.66Å; E289-H293 PolarHBondContact OE1-CD2 3.46Å; E289-H293 IonicContact OE1-CG 3.5Å; E289-H293 IonicContact OE1-NE2 3.41Å; E289-H293 IonicContact OE2-CD2 3.03Å; E289-H293 PolarHBondContact OE2-CD2 3.01Å; E289-H293 IonicContact OE2-NE2 3.11Å
290V98.1Very high97.8Very high11 Ų1168.7 Ų68.77%0.06733%0.331CS..Hα-helixtrans-61.2-46175.9177.20000111M237 Y267 Y269 E286 K292 R294 D295M237-V290 HydrophobicContact CE-CG1 4.03Å; Y267-V290 HydrophobicContact CD1-CB 4.24Å; Y267-V290 HydrophobicContact CD1-CG1 3.9Å; Y267-V290 HydrophobicContact CD1-CG2 4.46Å; Y267-V290 HydrophobicContact CD2-CG1 4.4Å; Y267-V290 HydrophobicContact CD2-CG2 4.21Å; Y267-V290 HydrophobicContact CE2-CG2 4.25Å; Y267-V290 HydrophobicContact CG-CB 4.36Å; Y267-V290 HydrophobicContact CG-CG1 3.76Å; Y267-V290 HydrophobicContact CG-CG2 4.3Å; Y269-V290 HydrophobicContact CE1-CG1 4.34Å; E286-V290 WeakPolarHBondContact O-CG2 3.28Å; E286-V290 PolarHBondContact O-N 3.27Å; V290-K292 VanDerWaalsContact C-N 3.33Å; V290-K292 PolarHBondContact O-N 3.32Å; V290-R294 HydrophobicContact CG1-CB 4.26Å; V290-R294 CarbonylContact O-C 3.54Å; V290-R294 VanDerWaalsContact O-CA 3.3Å; V290-R294 WeakPolarHBondContact O-CA 3.3Å; V290-R294 WeakPolarHBondContact O-CB 3.23Å; V290-R294 PolarHBondContact O-N 3.09Å; V290-D295 PolarHBondContact O-N 3.01Å
291R97.9Very high97.9Very high99 Ų9965.5 Ų65.537%0.37430%0.302SS..Hα-helixtrans-63.4-38.5179-177.4-176.7-69.2-143.40.4112.3Y269 I287 Q288 E289 D295Y269-R291 HydrophobicContact CD1-CB 4.43Å; Y269-R291 HydrophobicContact CE1-CB 3.92Å; Y269-R291 HydrophobicContact CE1-CG 4.42Å; Y269-R291 HydrophobicContact CE2-CG 4.24Å; I287-R291 WeakPolarHBondContact O-CB 3.49Å; I287-R291 PolarHBondContact O-N 2.89Å; Q288-R291 PolarHBondContact O-N 3.43Å; E289-R291 PolarHBondContact O-N 3.39Å; R291-D295 WeakPolarHBondContact O-CB 3.24Å
292K97.5Very high97.9Very high151 Ų15169.6 Ų69.666%0.65732%0.323SS*.Hα-helixtrans-74.4-39.3-176.8-177.4179.2168.6-155.70112Q288 E289 V290Q288-K292 WeakPolarHBondContact O-CB 3.5Å; Q288-K292 PolarHBondContact O-N 2.87Å; E289-K292 PolarHBondContact O-N 3.42Å; V290-K292 VanDerWaalsContact C-N 3.33Å; V290-K292 PolarHBondContact O-N 3.32Å
293H97.3Very high97.8Very high108 Ų10871.8 Ų71.850%0.533%0.333SS..Hα-helixtrans-108.6-14.4-168.6-66.8-71.4000114.5E289E289-H293 WeakPolarHBondContact O-CB 3.49Å; E289-H293 PolarHBondContact O-CD2 2.98Å; E289-H293 PolarHBondContact O-N 3.33Å; E289-H293 IonicContact OE1-CD2 3.66Å; E289-H293 PolarHBondContact OE1-CD2 3.46Å; E289-H293 IonicContact OE1-CG 3.5Å; E289-H293 IonicContact OE1-NE2 3.41Å; E289-H293 IonicContact OE2-CD2 3.03Å; E289-H293 PolarHBondContact OE2-CD2 3.01Å; E289-H293 IonicContact OE2-NE2 3.11Å
294R97.7Very high97.8Very high114 Ų11468.2 Ų68.243%0.4331%0.311SS..Hα-helixtrans-135.810.9-173.8-61.9173.259.4-159.2-4113.4M237 V290M237-R294 WeakPolarHBondContact CB-O 3.43Å; M237-R294 VanDerWaalsContact CE-O 3.23Å; M237-R294 WeakPolarHBondContact CE-O 3.28Å; V290-R294 HydrophobicContact CG1-CB 4.26Å; V290-R294 CarbonylContact O-C 3.54Å; V290-R294 VanDerWaalsContact O-CA 3.3Å; V290-R294 WeakPolarHBondContact O-CA 3.3Å; V290-R294 WeakPolarHBondContact O-CB 3.23Å; V290-R294 PolarHBondContact O-N 3.09Å
295D98.8Very high97.8Very high5 Ų561.9 Ų61.93%0.02729%0.291CS..  trans-59.9129.5179178.9-85.9000111.5R50 Y269 V290 R291 I297 T298 G299R50-D295 IonicContact CZ-OD2 3.75Å; R50-D295 VanDerWaalsContact CZ-OD2 3.31Å; R50-D295 IonicContact NH1-OD1 2.63Å; R50-D295 IonicContact NH1-OD2 3.52Å; R50-D295 PolarHBondContact NH1-OD2 2.93Å; R50-D295 IonicContact NH2-OD1 3.2Å; R50-D295 IonicContact NH2-OD2 3.51Å; R50-D295 PolarHBondContact NH2-OD2 3.17Å; Y269-D295 WeakPolarHBondContact CE2-OD2 3.45Å; Y269-D295 VanDerWaalsContact OH-CA 3.27Å; Y269-D295 WeakPolarHBondContact OH-CA 3.41Å; Y269-D295 VanDerWaalsContact OH-CB 3.23Å; Y269-D295 WeakPolarHBondContact OH-CB 3.23Å; Y269-D295 VanDerWaalsContact OH-CG 3.29Å; Y269-D295 PolarHBondContact OH-OD2 3.05Å; V290-D295 PolarHBondContact O-N 3.01Å; R291-D295 WeakPolarHBondContact O-CB 3.24Å; D295-I297 VanDerWaalsContact C-N 3.3Å; D295-I297 PolarHBondContact O-N 3.28Å; D295-I297 WeakPolarHBondContact OD1-CA 3.48Å; D295-I297 WeakPolarHBondContact OD1-CB 3.23Å; D295-I297 PolarHBondContact OD1-N 2.81Å; D295-T298 PolarHBondContact O-N 3.02Å; D295-T298 PolarHBondContact OD1-N 3.32Å; D295-T298 PolarHBondContact OD1-OG1 2.87Å; D295-G299 PolarHBondContact O-N 3.32Å
296P98.8Very high97.7Very high2 Ų260.3 Ų60.31%0.01330%0.295CS..Hα-helixtrans-66.4-30.4-173.324.2-34000113.4M46 E76 A77 M237 F300M46-P296 HydrophobicContact SD-CB 4.28Å; E76-P296 HydrophobicContact CB-CG 4.37Å; E76-P296 WeakPolarHBondContact OE2-CG 3.36Å; A77-P296 HydrophobicContact CB-CB 3.54Å; A77-P296 HydrophobicContact CB-CG 4.47Å; M237-P296 WeakPolarHBondContact O-CA 3.36Å; M237-P296 WeakPolarHBondContact O-CB 3.39Å; P296-F300 WeakPolarHBondContact O-CB 3.34Å; P296-F300 PolarHBondContact O-N 3.07Å
297I98.8Very high97.4Very high14 Ų1458.7 Ų58.77%0.07230%0.295CS..Hα-helixtrans-78.2-50.5180-61.8173.7000109.4M46 M47 R50 D295 F300 R301M46-I297 HydrophobicContact CB-CD1 4.07Å; M46-I297 HydrophobicContact CB-CG1 3.65Å; M46-I297 WeakPolarHBondContact O-CD1 3.5Å; M46-I297 HydrophobicContact SD-CG1 4.44Å; M47-I297 HydrophobicContact CE-CG2 3.77Å; M47-I297 HydrophobicContact CG-CD1 4.4Å; M47-I297 HydrophobicContact CG-CG2 3.88Å; R50-I297 HydrophobicContact CB-CD1 3.63Å; R50-I297 HydrophobicContact CG-CD1 4.1Å; D295-I297 VanDerWaalsContact C-N 3.3Å; D295-I297 PolarHBondContact O-N 3.28Å; D295-I297 WeakPolarHBondContact OD1-CA 3.48Å; D295-I297 WeakPolarHBondContact OD1-CB 3.23Å; D295-I297 PolarHBondContact OD1-N 2.81Å; I297-F300 PolarHBondContact O-N 3.12Å; I297-R301 VanDerWaalsContact O-CB 3.27Å; I297-R301 WeakPolarHBondContact O-CB 3.42Å; I297-R301 PolarHBondContact O-N 3Å
298T98.3Very high97.3Very high61 Ų6159.2 Ų59.237%0.37430%0.303SS..Hα-helixtrans-60.2-51.2179.5-56.60000110.6D295 F300 R301 E302D295-T298 PolarHBondContact O-N 3.02Å; D295-T298 PolarHBondContact OD1-N 3.32Å; D295-T298 PolarHBondContact OD1-OG1 2.87Å; T298-F300 VanDerWaalsContact C-N 3.34Å; T298-F300 PolarHBondContact O-N 3.48Å; T298-R301 PolarHBondContact O-N 2.7Å; T298-E302 HydrophobicContact CG2-CG 4.42Å; T298-E302 WeakPolarHBondContact CG2-OE1 3.46Å; T298-E302 WeakPolarHBondContact O-CB 3.48Å; T298-E302 WeakPolarHBondContact O-CG 3.35Å; T298-E302 PolarHBondContact O-N 3.4Å
299G97.5Very high97.2Very high30 Ų3053.8 Ų53.831%0.30928%0.278SS..Hα-helixtrans-62-39.5-178.800000112.7D295 K303D295-G299 PolarHBondContact O-N 3.32Å; G299-K303 WeakPolarHBondContact O-CG 3.39Å; G299-K303 PolarHBondContact O-N 3.49Å
300F98.4Very high97.1Very high4 Ų448.6 Ų48.62%0.01825%0.254CS..Hα-helixtrans-70.6-44.3176.7-173.7-117.3000112.4A39 Y42 L43 M46 V239 L240 P296 I297 T298 E302 K303 V304A39-F300 HydrophobicContact CB-CE1 4.4Å; A39-F300 HydrophobicContact CB-CZ 4.08Å; Y42-F300 HydrophobicContact CD2-CE1 4.27Å; Y42-F300 AromaticContact CD2-CZ 3.9Å; Y42-F300 HydrophobicContact CD2-CZ 3.9Å; L43-F300 HydrophobicContact CD2-CD1 3.74Å; L43-F300 HydrophobicContact CD2-CE1 4.41Å; L43-F300 HydrophobicContact CG-CD1 3.84Å; L43-F300 HydrophobicContact CG-CE1 3.99Å; M46-F300 HydrophobicContact CE-CB 3.92Å; M46-F300 HydrophobicContact CE-CD1 3.62Å; M46-F300 HydrophobicContact CE-CE1 4.5Å; M46-F300 HydrophobicContact CE-CG 4.02Å; V239-F300 HydrophobicContact CG1-CB 4.18Å; V239-F300 HydrophobicContact CG1-CD1 4.01Å; V239-F300 HydrophobicContact CG1-CD2 3.42Å; V239-F300 VanDerWaalsContact CG1-CD2 3.42Å; V239-F300 HydrophobicContact CG1-CE1 4.27Å; V239-F300 HydrophobicContact CG1-CE2 3.72Å; V239-F300 HydrophobicContact CG1-CG 3.59Å; V239-F300 HydrophobicContact CG1-CZ 4.13Å; L240-F300 HydrophobicContact CD1-CE2 4.07Å; L240-F300 HydrophobicContact CD2-CE2 3.77Å; L240-F300 HydrophobicContact CD2-CZ 4.34Å; L240-F300 HydrophobicContact CG-CD2 4.3Å; L240-F300 HydrophobicContact CG-CE2 3.78Å; P296-F300 WeakPolarHBondContact O-CB 3.34Å; P296-F300 PolarHBondContact O-N 3.07Å; I297-F300 PolarHBondContact O-N 3.12Å; T298-F300 VanDerWaalsContact C-N 3.34Å; T298-F300 PolarHBondContact O-N 3.48Å; F300-E302 VanDerWaalsContact C-N 3.35Å; F300-E302 PolarHBondContact O-N 2.85Å; F300-K303 PolarHBondContact O-N 3.24Å; F300-V304 HydrophobicContact CD2-CG1 4.22Å; F300-V304 HydrophobicContact CE1-CG1 4.15Å; F300-V304 HydrophobicContact CE2-CG1 3.68Å; F300-V304 HydrophobicContact CZ-CG1 3.65Å; F300-V304 WeakPolarHBondContact O-CG2 3.46Å; F300-V304 PolarHBondContact O-N 3.06Å
301R98.2Very high97Very high42 Ų4252.2 Ų52.216%0.15827%0.27CS..Hα-helixtrans-56-48.9175179.1-176.4179.4159.2-0.3111.2L43 I297 T298 K303 V304 V305 E312 A315 K316 E319L43-R301 HydrophobicContact CD2-CB 3.9Å; I297-R301 VanDerWaalsContact O-CB 3.27Å; I297-R301 WeakPolarHBondContact O-CB 3.42Å; I297-R301 PolarHBondContact O-N 3Å; T298-R301 PolarHBondContact O-N 2.7Å; R301-K303 VanDerWaalsContact C-N 3.33Å; R301-K303 PolarHBondContact O-N 3.21Å; R301-V304 PolarHBondContact O-N 2.86Å; R301-V305 HydrophobicContact CG-CG2 4.06Å; R301-V305 VanDerWaalsContact O-CB 3.28Å; R301-V305 WeakPolarHBondContact O-CB 3.41Å; R301-V305 VanDerWaalsContact O-CG2 3.24Å; R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.18Å; R301-E312 IonicContact CZ-OE1 3.31Å; R301-E312 IonicContact CZ-OE2 2.65Å; R301-E312 IonicContact NE-OE1 3.8Å; R301-E312 IonicContact NE-OE2 2.97Å; R301-E312 PolarHBondContact NE-OE2 3.06Å; R301-E312 IonicContact NH2-OE1 3.06Å; R301-E312 PolarHBondContact NH2-OE1 3.19Å; R301-E312 IonicContact NH2-OE2 3.25Å; R301-E312 PolarHBondContact NH2-OE2 3.2Å; R301-A315 HydrophobicContact CG-CB 4.07Å; R301-K316 VanDerWaalsContact NH2-CG 3.3Å; R301-E319 IonicContact NH1-OE2 2.76Å
302E97.2Very high97Very high126 Ų12650.8 Ų50.859%0.58927%0.268SS*.Hα-helixtrans-58-44.8178.5-75.7175.9179.300111.6T298 F300 S306T298-E302 HydrophobicContact CG2-CG 4.42Å; T298-E302 WeakPolarHBondContact CG2-OE1 3.46Å; T298-E302 WeakPolarHBondContact O-CB 3.48Å; T298-E302 WeakPolarHBondContact O-CG 3.35Å; T298-E302 PolarHBondContact O-N 3.4Å; F300-E302 VanDerWaalsContact C-N 3.35Å; F300-E302 PolarHBondContact O-N 2.85Å; E302-S306 WeakPolarHBondContact O-CB 3.03Å; E302-S306 PolarHBondContact O-N 2.9Å; E302-S306 PolarHBondContact O-OG 2.8Å
303K95.8Very high97Very high60 Ų6048.9 Ų48.926%0.26126%0.261SS..Hα-helixtrans-59.1-51176.8-76.1-179.4-176.8-170.80112.4F14 D238 G299 F300 R301 S306 G307F14-K303 HydrophobicContact CD1-CB 4.42Å; F14-K303 HydrophobicContact CE1-CB 4.05Å; D238-K303 IonicContact OD1-NZ 3.98Å; D238-K303 IonicContact OD2-NZ 3.56Å; D238-K303 PolarHBondContact OD2-NZ 3.39Å; G299-K303 WeakPolarHBondContact O-CG 3.39Å; G299-K303 PolarHBondContact O-N 3.49Å; F300-K303 PolarHBondContact O-N 3.24Å; R301-K303 VanDerWaalsContact C-N 3.33Å; R301-K303 PolarHBondContact O-N 3.21Å; K303-S306 PolarHBondContact O-OG 2.92Å; K303-G307 PolarHBondContact O-N 2.74Å; K303-G307 VanDerWaalsContact O-N 3.11Å
304V97.4Very high96.9Very high0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-76.5-28.5-174-59.10000113F14 A39 L43 F300 R301 G308 L309 V310F14-V304 HydrophobicContact CZ-CG1 4.46Å; A39-V304 HydrophobicContact CB-CB 4.39Å; A39-V304 HydrophobicContact CB-CG1 3.95Å; L43-V304 HydrophobicContact CD1-CG2 4Å; F300-V304 HydrophobicContact CD2-CG1 4.22Å; F300-V304 HydrophobicContact CE1-CG1 4.15Å; F300-V304 HydrophobicContact CE2-CG1 3.68Å; F300-V304 HydrophobicContact CZ-CG1 3.65Å; F300-V304 WeakPolarHBondContact O-CG2 3.46Å; F300-V304 PolarHBondContact O-N 3.06Å; R301-V304 PolarHBondContact O-N 2.86Å; V304-G308 PolarHBondContact O-N 3.25Å; V304-L309 HydrophobicContact CB-CB 4.37Å; V304-L309 HydrophobicContact CG1-CD2 4.32Å; V304-L309 WeakPolarHBondContact O-CB 3.18Å; V304-L309 PolarHBondContact O-N 3.37Å; V304-V310 HydrophobicContact CB-CB 4.31Å; V304-V310 HydrophobicContact CB-CG2 4.12Å; V304-V310 HydrophobicContact CG2-CB 3.9Å; V304-V310 HydrophobicContact CG2-CG2 3.91Å; V304-V310 PolarHBondContact O-N 3.26Å; V304-V310 VanDerWaalsContact O-N 3.11Å
305V96.8Very high96.9Very high38 Ų3840.2 Ų40.223%0.2323%0.226CC..Hα-helixtrans-76.9-48.5175.4173.40000111.4R301 G307 G308 V310 E312R301-V305 HydrophobicContact CG-CG2 4.06Å; R301-V305 VanDerWaalsContact O-CB 3.28Å; R301-V305 WeakPolarHBondContact O-CB 3.41Å; R301-V305 VanDerWaalsContact O-CG2 3.24Å; R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.18Å; V305-G307 PolarHBondContact O-N 2.95Å; V305-G308 PolarHBondContact O-N 2.91Å; V305-V310 WeakPolarHBondContact CA-O 3.48Å; V305-E312 HydrophobicContact CG1-CB 4.06Å
306S94.7Very high96.9Very high104 Ų10443.5 Ų43.573%0.72724%0.24SC*.Hα-helixtrans-63.9-29.8177.862.20000112.7E302 K303 G308E302-S306 WeakPolarHBondContact O-CB 3.03Å; E302-S306 PolarHBondContact O-N 2.9Å; E302-S306 PolarHBondContact O-OG 2.8Å; K303-S306 PolarHBondContact O-OG 2.92Å; S306-G308 VanDerWaalsContact C-N 3.25Å; S306-G308 PolarHBondContact O-N 2.95Å
307G92.8Very high96.9Very high25 Ų2547.9 Ų47.926%0.25826%0.26SS..THydrogen-bonded Turntrans-72.5-13171.600000115.1M12 K303 V305 L309M12-G307 VanDerWaalsContact CE-CA 3.46Å; M12-G307 WeakPolarHBondContact SD-CA 3.25Å; K303-G307 PolarHBondContact O-N 2.74Å; K303-G307 VanDerWaalsContact O-N 3.11Å; V305-G307 PolarHBondContact O-N 2.95Å; G307-L309 VanDerWaalsContact C-N 3.26Å; G307-L309 PolarHBondContact O-N 3.11Å
308G94.8Very high96.9Very high26 Ų2648.1 Ų48.127%0.26826%0.261SS..THydrogen-bonded Turntrans7510.7-174.800000114.1S7 V304 V305 S306S7-G308 WeakPolarHBondContact CB-O 3.46Å; S7-G308 PolarHBondContact OG-O 2.96Å; V304-G308 PolarHBondContact O-N 3.25Å; V305-G308 PolarHBondContact O-N 2.91Å; S306-G308 VanDerWaalsContact C-N 3.25Å; S306-G308 PolarHBondContact O-N 2.95Å
309L96.4Very high96.9Very high0 Ų050.1 Ų50.10%027%0.267CS..SBendtrans-74.3-33.2178.2-172.366.7000112V9 M12 V34 R36 A39 V304 G307V9-L309 HydrophobicContact CG1-CD1 4.06Å; M12-L309 HydrophobicContact CB-CD2 4.35Å; M12-L309 HydrophobicContact CG-CB 4.24Å; M12-L309 HydrophobicContact CG-CD1 4.28Å; M12-L309 HydrophobicContact SD-CB 3.83Å; V34-L309 HydrophobicContact CG1-CD2 3.84Å; R36-L309 HydrophobicContact CB-CD1 3.86Å; R36-L309 HydrophobicContact CB-CG 4.23Å; R36-L309 WeakPolarHBondContact CG-O 3.46Å; R36-L309 PolarHBondContact NH1-O 3.42Å; A39-L309 HydrophobicContact CB-CD2 3.79Å; A39-L309 HydrophobicContact CB-CG 4.49Å; V304-L309 HydrophobicContact CB-CB 4.37Å; V304-L309 HydrophobicContact CG1-CD2 4.32Å; V304-L309 WeakPolarHBondContact O-CB 3.18Å; V304-L309 PolarHBondContact O-N 3.37Å; G307-L309 VanDerWaalsContact C-N 3.26Å; G307-L309 PolarHBondContact O-N 3.11Å
310V96.6Very high96.9Very high1 Ų154.2 Ų54.21%0.00628%0.276CS..SBendtrans-131140.3178.4173.70000108.7A39 L40 L43 V304 V305 E314A39-V310 HydrophobicContact CB-CG2 3.91Å; L40-V310 HydrophobicContact CD2-CB 4.49Å; L40-V310 HydrophobicContact CD2-CG1 3.76Å; L40-V310 HydrophobicContact CD2-CG2 3.94Å; L40-V310 HydrophobicContact CG-CG2 4.17Å; L43-V310 HydrophobicContact CD1-CG1 4.34Å; V304-V310 HydrophobicContact CB-CB 4.31Å; V304-V310 HydrophobicContact CB-CG2 4.12Å; V304-V310 HydrophobicContact CG2-CB 3.9Å; V304-V310 HydrophobicContact CG2-CG2 3.91Å; V304-V310 PolarHBondContact O-N 3.26Å; V304-V310 VanDerWaalsContact O-N 3.11Å; V305-V310 WeakPolarHBondContact CA-O 3.48Å; V310-E314 HydrophobicContact CG1-CB 4.19Å
311E96Very high96.9Very high86 Ų8658.3 Ų58.340%0.40230%0.295SS..  trans-82146.2174-63.9-69.8159.700111E313 E314 A315E311-E313 PolarHBondContact O-N 3.46Å; E311-E314 HydrophobicContact CB-CG 4.05Å; E311-E314 WeakPolarHBondContact CB-OE2 3.35Å; E311-E314 PolarHBondContact N-OE2 3.4Å; E311-E314 WeakPolarHBondContact O-CB 3.45Å; E311-E314 PolarHBondContact O-N 2.73Å; E311-A315 PolarHBondContact O-N 3.17Å
312E96.3Very high96.9Very high70 Ų7056.5 Ų56.533%0.32729%0.289SS..Hα-helixtrans-58.8-34.9179.817458.7-169.500112.9R301 V305 E314 A315 K316R301-E312 IonicContact CZ-OE1 3.31Å; R301-E312 IonicContact CZ-OE2 2.65Å; R301-E312 IonicContact NE-OE1 3.8Å; R301-E312 IonicContact NE-OE2 2.97Å; R301-E312 PolarHBondContact NE-OE2 3.06Å; R301-E312 IonicContact NH2-OE1 3.06Å; R301-E312 PolarHBondContact NH2-OE1 3.19Å; R301-E312 IonicContact NH2-OE2 3.25Å; R301-E312 PolarHBondContact NH2-OE2 3.2Å; V305-E312 HydrophobicContact CG1-CB 4.06Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E312-A315 PolarHBondContact O-N 2.92Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 2.82Å; E312-K316 VanDerWaalsContact O-N 3.14Å; E312-K316 WeakPolarHBondContact OE1-CE 3.49Å; E312-K316 IonicContact OE1-NZ 2.65Å
313E97.3Very high97Very high111 Ų11157.1 Ų57.152%0.51929%0.286SS..Hα-helixtrans-70.1-29.3175.7-69.1-56.912400112.8E311 K316 E317E311-E313 PolarHBondContact O-N 3.46Å; E313-K316 PolarHBondContact O-N 3.36Å; E313-K316 IonicContact OE1-NZ 2.86Å; E313-K316 PolarHBondContact OE1-NZ 3.06Å; E313-E317 PolarHBondContact O-N 3.24Å
314E96.9Very high97.1Very high40 Ų4060 Ų6019%0.18730%0.3CS..Hα-helixtrans-69.7-42.9174.8-65.7177118.500111R36 L40 V310 E311 E312 K316 E317 I318R36-E314 IonicContact CZ-OE1 3.92Å; R36-E314 IonicContact CZ-OE2 2.88Å; R36-E314 IonicContact NH1-OE2 2.82Å; R36-E314 PolarHBondContact NH1-OE2 2.96Å; R36-E314 IonicContact NH2-OE1 3.66Å; R36-E314 PolarHBondContact NH2-OE1 3.37Å; R36-E314 IonicContact NH2-OE2 3.33Å; R36-E314 PolarHBondContact NH2-OE2 3.44Å; L40-E314 HydrophobicContact CD2-CB 4.29Å; V310-E314 HydrophobicContact CG1-CB 4.19Å; E311-E314 HydrophobicContact CB-CG 4.05Å; E311-E314 WeakPolarHBondContact CB-OE2 3.35Å; E311-E314 PolarHBondContact N-OE2 3.4Å; E311-E314 WeakPolarHBondContact O-CB 3.45Å; E311-E314 PolarHBondContact O-N 2.73Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E314-K316 VanDerWaalsContact C-N 3.29Å; E314-K316 PolarHBondContact O-N 3.28Å; E314-E317 PolarHBondContact O-N 3.48Å; E314-I318 WeakPolarHBondContact O-CG1 3.14Å; E314-I318 PolarHBondContact O-N 3.37Å
315A97.6Very high97.2Very high0 Ų062.6 Ų62.60%032%0.316CS..Hα-helixtrans-60-39.7174.700000111.9L43 R301 E311 E312 I318 E319L43-A315 HydrophobicContact CD1-CB 4.39Å; R301-A315 HydrophobicContact CG-CB 4.07Å; E311-A315 PolarHBondContact O-N 3.17Å; E312-A315 PolarHBondContact O-N 2.92Å; A315-I318 PolarHBondContact O-N 3.23Å; A315-E319 PolarHBondContact O-N 3.18Å; A315-E319 VanDerWaalsContact O-N 3.11Å
316K98.1Very high97.3Very high73 Ų7360.8 Ų60.832%0.31731%0.305SS..Hα-helixtrans-65.9-39.8174.3-70.2176.7-168.1162.50112.8R301 E312 E313 E314 E319 K320R301-K316 VanDerWaalsContact NH2-CG 3.3Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 2.82Å; E312-K316 VanDerWaalsContact O-N 3.14Å; E312-K316 WeakPolarHBondContact OE1-CE 3.49Å; E312-K316 IonicContact OE1-NZ 2.65Å; E313-K316 PolarHBondContact O-N 3.36Å; E313-K316 IonicContact OE1-NZ 2.86Å; E313-K316 PolarHBondContact OE1-NZ 3.06Å; E314-K316 VanDerWaalsContact C-N 3.29Å; E314-K316 PolarHBondContact O-N 3.28Å; K316-E319 PolarHBondContact O-N 3.41Å; K316-K320 WeakPolarHBondContact O-CG 3.07Å; K316-K320 PolarHBondContact O-N 3.34Å
317E98.5Very high97.5Very high94 Ų9459.1 Ų59.144%0.43929%0.286SS..Hα-helixtrans-67.4-38.2176.9-77-49.8143.200112.3E313 E314 E319 K320 E321E313-E317 PolarHBondContact O-N 3.24Å; E314-E317 PolarHBondContact O-N 3.48Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 2.93Å; E317-K320 PolarHBondContact O-N 3.37Å; E317-K320 IonicContact OE1-NZ 3.61Å; E317-K320 PolarHBondContact OE1-NZ 3.16Å; E317-E321 WeakPolarHBondContact O-CB 3.28Å; E317-E321 PolarHBondContact O-N 2.82Å
318I98.4Very high97.7Very high19 Ų1960.4 Ų60.410%0.09729%0.289CS..Hα-helixtrans-59.4-42.9172.2-69.4169.1000111L40 L43 K44 M47 E314 A315 K320 E321 A322L40-I318 HydrophobicContact CB-CD1 4.3Å; L40-I318 HydrophobicContact CD2-CD1 3.72Å; L43-I318 HydrophobicContact CB-CD1 4.44Å; K44-I318 HydrophobicContact CB-CG2 3.77Å; K44-I318 HydrophobicContact CG-CG2 4.28Å; M47-I318 HydrophobicContact SD-CB 4.3Å; M47-I318 HydrophobicContact SD-CG2 3.74Å; E314-I318 WeakPolarHBondContact O-CG1 3.14Å; E314-I318 PolarHBondContact O-N 3.37Å; A315-I318 PolarHBondContact O-N 3.23Å; I318-K320 PolarHBondContact O-N 3.2Å; I318-E321 PolarHBondContact O-N 2.58Å; I318-A322 WeakPolarHBondContact O-CB 3.43Å; I318-A322 PolarHBondContact O-N 2.81Å
319E98.2Very high97.9Very high104 Ų10459.6 Ų59.649%0.48628%0.279SS..Hα-helixtrans-62.6-42.1177.9-172.5177.3175.700111.9M47 R301 A315 K316 E317 R323M47-E319 HydrophobicContact CE-CB 4.43Å; M47-E319 HydrophobicContact SD-CB 3.83Å; M47-E319 HydrophobicContact SD-CG 4.48Å; R301-E319 IonicContact NH1-OE2 2.76Å; A315-E319 PolarHBondContact O-N 3.18Å; A315-E319 VanDerWaalsContact O-N 3.11Å; K316-E319 PolarHBondContact O-N 3.41Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 2.93Å; E319-R323 WeakPolarHBondContact O-CB 3.49Å; E319-R323 PolarHBondContact O-N 3.49Å
320K98.6Very high98Very high115 Ų11561.3 Ų61.350%0.529%0.288SS..Hα-helixtrans-65.1-42.9174.9-69.6174.6-166.4167.20111.8K316 E317 I318 R323 H324K316-K320 WeakPolarHBondContact O-CG 3.07Å; K316-K320 PolarHBondContact O-N 3.34Å; E317-K320 PolarHBondContact O-N 3.37Å; E317-K320 IonicContact OE1-NZ 3.61Å; E317-K320 PolarHBondContact OE1-NZ 3.16Å; I318-K320 PolarHBondContact O-N 3.2Å; K320-R323 WeakPolarHBondContact O-CB 3.34Å; K320-R323 PolarHBondContact O-N 3.28Å; K320-H324 WeakPolarHBondContact O-CB 3.44Å; K320-H324 PolarHBondContact O-N 3.04Å
321E98.5Very high98.1Very high90 Ų9063.7 Ų63.742%0.42131%0.308SS..Hα-helixtrans-60.8-50.4176.5-172.7-173.4155.300110.3K44 E317 I318 R323 H324 T325K44-E321 IonicContact NZ-OE1 2.65Å; K44-E321 PolarHBondContact NZ-OE1 2.86Å; K44-E321 IonicContact NZ-OE2 3.34Å; E317-E321 WeakPolarHBondContact O-CB 3.28Å; E317-E321 PolarHBondContact O-N 2.82Å; I318-E321 PolarHBondContact O-N 2.58Å; E321-R323 VanDerWaalsContact C-N 3.27Å; E321-R323 PolarHBondContact O-N 3.28Å; E321-H324 PolarHBondContact O-N 2.96Å; E321-H324 VanDerWaalsContact O-N 3.07Å; E321-T325 WeakPolarHBondContact O-CB 2.94Å; E321-T325 PolarHBondContact O-N 2.98Å; E321-T325 PolarHBondContact O-OG1 2.8Å; E321-T325 VanDerWaalsContact O-OG1 3.05Å
322A98.7Very high98.2Very high4 Ų463.8 Ų63.83%0.03331%0.309CS..Hα-helixtrans-56.7-41.5177.200000112M47 L48 I318 V326M47-A322 HydrophobicContact CB-CB 4.16Å; L48-A322 HydrophobicContact CB-CB 4.41Å; L48-A322 HydrophobicContact CD1-CB 4.24Å; I318-A322 WeakPolarHBondContact O-CB 3.43Å; I318-A322 PolarHBondContact O-N 2.81Å; A322-V326 WeakPolarHBondContact O-CG2 3.05Å; A322-V326 PolarHBondContact O-N 3.45Å
323R98.5Very high98.3Very high139 Ų13960.5 Ų60.553%0.52529%0.293SS..Hα-helixtrans-59.4-51.9173179.8173.3178.3-173.8-3.6112E319 K320 E321 V326 E327E319-R323 WeakPolarHBondContact O-CB 3.49Å; E319-R323 PolarHBondContact O-N 3.49Å; K320-R323 WeakPolarHBondContact O-CB 3.34Å; K320-R323 PolarHBondContact O-N 3.28Å; E321-R323 VanDerWaalsContact C-N 3.27Å; E321-R323 PolarHBondContact O-N 3.28Å; R323-V326 PolarHBondContact O-N 3.48Å; R323-E327 HydrophobicContact CG-CG 4.45Å; R323-E327 VanDerWaalsContact CG-OE1 3.29Å; R323-E327 WeakPolarHBondContact CG-OE1 3.21Å; R323-E327 IonicContact CZ-OE1 3.6Å; R323-E327 IonicContact NE-OE1 2.79Å; R323-E327 PolarHBondContact NE-OE1 2.88Å; R323-E327 IonicContact NE-OE2 3.79Å; R323-E327 IonicContact NH2-OE1 3.51Å; R323-E327 WeakPolarHBondContact O-CB 3.5Å; R323-E327 WeakPolarHBondContact O-CG 3.23Å; R323-E327 PolarHBondContact O-N 2.9Å
324H98.7Very high98.2Very high122 Ų12257.4 Ų57.457%0.56528%0.28SS*.Hα-helixtrans-62.6-45.1-178.7-177.260.7000111.9K320 E321 V326 E327 T328K320-H324 WeakPolarHBondContact O-CB 3.44Å; K320-H324 PolarHBondContact O-N 3.04Å; E321-H324 PolarHBondContact O-N 2.96Å; E321-H324 VanDerWaalsContact O-N 3.07Å; H324-V326 VanDerWaalsContact C-N 3.35Å; H324-V326 PolarHBondContact O-N 3.34Å; H324-E327 PolarHBondContact O-N 3.23Å; H324-T328 PolarHBondContact CE1-OG1 3.08Å; H324-T328 WeakPolarHBondContact O-CB 3.4Å; H324-T328 PolarHBondContact O-N 3.46Å; H324-T328 PolarHBondContact O-OG1 2.97Å; H324-T328 VanDerWaalsContact O-OG1 3.08Å
325T98.7Very high98.3Very high54 Ų5463.5 Ų63.533%0.33131%0.306SS..Hα-helixtrans-56-47.5177.4-60.50000111.7L48 P109 E321 A329L48-T325 HydrophobicContact CD1-CG2 4.09Å; P109-T325 HydrophobicContact CG-CG2 4.25Å; E321-T325 WeakPolarHBondContact O-CB 2.94Å; E321-T325 PolarHBondContact O-N 2.98Å; E321-T325 PolarHBondContact O-OG1 2.8Å; E321-T325 VanDerWaalsContact O-OG1 3.05Å; T325-A329 WeakPolarHBondContact O-CB 3.49Å; T325-A329 PolarHBondContact O-N 3.4Å
326V98.8Very high98.2Very high0 Ų065.2 Ų65.20%032%0.315CS..Hα-helixtrans-71.5-38-178.6176.40000111.9L48 R51 L52 T55 L113 A322 R323 H324 A329 L330L48-V326 HydrophobicContact CD1-CG2 3.64Å; R51-V326 HydrophobicContact CB-CG2 4.07Å; R51-V326 HydrophobicContact CG-CB 3.71Å; R51-V326 HydrophobicContact CG-CG1 4.03Å; R51-V326 HydrophobicContact CG-CG2 3.79Å; L52-V326 HydrophobicContact CB-CG2 4.45Å; T55-V326 HydrophobicContact CG2-CG1 4.03Å; T55-V326 VanDerWaalsContact OG1-CG1 3.25Å; T55-V326 WeakPolarHBondContact OG1-CG1 3.42Å; L113-V326 HydrophobicContact CD1-CG1 4.14Å; A322-V326 WeakPolarHBondContact O-CG2 3.05Å; A322-V326 PolarHBondContact O-N 3.45Å; R323-V326 PolarHBondContact O-N 3.48Å; H324-V326 VanDerWaalsContact C-N 3.35Å; H324-V326 PolarHBondContact O-N 3.34Å; V326-A329 PolarHBondContact O-N 2.92Å; V326-L330 WeakPolarHBondContact O-CB 2.85Å; V326-L330 PolarHBondContact O-N 3.41Å
327E98.6Very high98.1Very high69 Ų6965.8 Ų65.832%0.32233%0.326SS..Hα-helixtrans-66.3-43.2177.8-75172.6-178.300111.8R51 R323 H324 L330 A331R51-E327 IonicContact CZ-OE1 3.76Å; R51-E327 IonicContact NH2-OE1 2.79Å; R51-E327 PolarHBondContact NH2-OE1 3.39Å; R323-E327 HydrophobicContact CG-CG 4.45Å; R323-E327 VanDerWaalsContact CG-OE1 3.29Å; R323-E327 WeakPolarHBondContact CG-OE1 3.21Å; R323-E327 IonicContact CZ-OE1 3.6Å; R323-E327 IonicContact NE-OE1 2.79Å; R323-E327 PolarHBondContact NE-OE1 2.88Å; R323-E327 IonicContact NE-OE2 3.79Å; R323-E327 IonicContact NH2-OE1 3.51Å; R323-E327 WeakPolarHBondContact O-CB 3.5Å; R323-E327 WeakPolarHBondContact O-CG 3.23Å; R323-E327 PolarHBondContact O-N 2.9Å; H324-E327 PolarHBondContact O-N 3.23Å; E327-L330 PolarHBondContact O-N 3.17Å; E327-A331 PolarHBondContact O-N 3.49Å
328T98.6Very high98Very high52 Ų5268.6 Ų68.632%0.31934%0.339SS..Hα-helixtrans-62.4-47.7173.7-62.30000110.8H324 L330 A331 E332H324-T328 PolarHBondContact CE1-OG1 3.08Å; H324-T328 WeakPolarHBondContact O-CB 3.4Å; H324-T328 PolarHBondContact O-N 3.46Å; H324-T328 PolarHBondContact O-OG1 2.97Å; H324-T328 VanDerWaalsContact O-OG1 3.08Å; T328-L330 VanDerWaalsContact C-N 3.3Å; T328-L330 PolarHBondContact O-N 3.31Å; T328-A331 PolarHBondContact O-N 3.06Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 3.36Å
329A98.6Very high97.9Very high8 Ų869.6 Ų69.67%0.06635%0.347CS..Hα-helixtrans-59-39.5177.400000113P109 K110 L113 T325 V326 A333P109-A329 HydrophobicContact CB-CB 3.74Å; K110-A329 HydrophobicContact CB-CB 4.12Å; L113-A329 HydrophobicContact CD1-CB 4.32Å; T325-A329 WeakPolarHBondContact O-CB 3.49Å; T325-A329 PolarHBondContact O-N 3.4Å; V326-A329 PolarHBondContact O-N 2.92Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.39Å
330L98.4Very high97.7Very high37 Ų3767 Ų6719%0.19434%0.339CS..Hα-helixtrans-62.3-50.6174.6178.164.9000111.2T55 M59 L113 V326 E327 T328 E332 A333 L334T55-L330 HydrophobicContact CG2-CB 4.39Å; T55-L330 HydrophobicContact CG2-CD1 4.26Å; T55-L330 HydrophobicContact CG2-CD2 3.82Å; T55-L330 HydrophobicContact CG2-CG 4.39Å; M59-L330 HydrophobicContact CE-CD1 3.66Å; M59-L330 HydrophobicContact CG-CD1 3.81Å; M59-L330 HydrophobicContact SD-CD1 3.42Å; M59-L330 WeakPolarHBondContact SD-CD1 3.37Å; L113-L330 HydrophobicContact CD1-CB 3.88Å; L113-L330 HydrophobicContact CD1-CD1 4.32Å; V326-L330 WeakPolarHBondContact O-CB 2.85Å; V326-L330 PolarHBondContact O-N 3.41Å; E327-L330 PolarHBondContact O-N 3.17Å; T328-L330 VanDerWaalsContact C-N 3.3Å; T328-L330 PolarHBondContact O-N 3.31Å; L330-E332 PolarHBondContact O-N 2.94Å; L330-A333 PolarHBondContact O-N 2.79Å; L330-L334 HydrophobicContact CD1-CD1 3.73Å; L330-L334 HydrophobicContact CD1-CD2 4.42Å; L330-L334 HydrophobicContact CD1-CG 3.84Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.3Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.02Å
331A98.3Very high97.3Very high51 Ų5168.1 Ų68.142%0.42135%0.35SS..Hα-helixtrans-61.2-35.5-178.300000111.9E327 T328 K335E327-A331 PolarHBondContact O-N 3.49Å; T328-A331 PolarHBondContact O-N 3.06Å; A331-K335 WeakPolarHBondContact O-CD 3.34Å; A331-K335 VanDerWaalsContact O-CG 3.31Å; A331-K335 WeakPolarHBondContact O-CG 3.42Å
332E98.2Very high96.8Very high88 Ų8865.8 Ų65.841%0.41134%0.34SS..Hα-helixtrans-71.9-48.4174-69.6176.8171.600112.2K110 T328 L330 L334 K335 D336K110-E332 HydrophobicContact CD-CB 3.95Å; K110-E332 HydrophobicContact CG-CB 4.38Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 3.36Å; L330-E332 PolarHBondContact O-N 2.94Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.4Å; E332-K335 WeakPolarHBondContact O-CB 3.25Å; E332-K335 PolarHBondContact O-N 2.79Å; E332-K335 VanDerWaalsContact O-N 3.13Å; E332-D336 PolarHBondContact O-N 3.04Å
333A97.9Very high96.6Very high0 Ų065.8 Ų65.80%034%0.34CS..Hα-helixtrans-59.2-39.8179.300000112K110 L113 A329 L330 K335 D336K110-A333 HydrophobicContact CG-CB 4.1Å; L113-A333 HydrophobicContact CB-CB 4.33Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.39Å; L330-A333 PolarHBondContact O-N 2.79Å; A333-K335 VanDerWaalsContact C-N 3.26Å; A333-K335 PolarHBondContact O-N 2.92Å; A333-D336 PolarHBondContact O-N 3.24Å
334L96.3Very high96.3Very high46 Ų4664 Ų6424%0.24134%0.34CS..THydrogen-bonded Turntrans-73.3-14.5-179.8-67.8-179.3000114M59 A117 R119 L330 E332M59-L334 HydrophobicContact CE-CD2 4.34Å; A117-L334 HydrophobicContact CB-CD2 4.09Å; R119-L334 VanDerWaalsContact NH1-CA 3.33Å; R119-L334 PolarHBondContact NH1-O 2.86Å; L330-L334 HydrophobicContact CD1-CD1 3.73Å; L330-L334 HydrophobicContact CD1-CD2 4.42Å; L330-L334 HydrophobicContact CD1-CG 3.84Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.3Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.02Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.4Å
335K97.5Very high95.9Very high169 Ų16960.4 Ų60.474%0.73532%0.322SS*.THydrogen-bonded Turntrans-80.4-25.6171-71.9168.5-174176.70112.4A331 E332 A333A331-K335 WeakPolarHBondContact O-CD 3.34Å; A331-K335 VanDerWaalsContact O-CG 3.31Å; A331-K335 WeakPolarHBondContact O-CG 3.42Å; E332-K335 WeakPolarHBondContact O-CB 3.25Å; E332-K335 PolarHBondContact O-N 2.79Å; E332-K335 VanDerWaalsContact O-N 3.13Å; A333-K335 VanDerWaalsContact C-N 3.26Å; A333-K335 PolarHBondContact O-N 2.92Å
336D96.5Very high95.6Very high36 Ų3658 Ų5819%0.19331%0.307CS..SBendtrans-70.7140.4-178.6-62.2-32.8000110.1K110 R119 V120 S121 E332 A333K110-D336 WeakPolarHBondContact CE-OD2 3.28Å; K110-D336 IonicContact NZ-OD1 3.87Å; K110-D336 IonicContact NZ-OD2 3.94Å; K110-D336 PolarHBondContact NZ-OD2 3.46Å; R119-D336 HydrophobicContact CB-CB 4.4Å; R119-D336 PolarHBondContact NH1-O 3.48Å; V120-D336 HydrophobicContact CG1-CB 4.38Å; S121-D336 WeakPolarHBondContact CB-OD2 3.16Å; S121-D336 WeakPolarHBondContact OG-CB 3.18Å; S121-D336 PolarHBondContact OG-OD2 2.88Å; E332-D336 PolarHBondContact O-N 3.04Å; A333-D336 PolarHBondContact O-N 3.24Å
337P96.3Very high95.4Very high85 Ų8561.1 Ų61.155%0.55232%0.324SS*.PPolyproline II helixtrans-70.7165.7-176.430.7-36000111.8V120V120-P337 HydrophobicContact CG1-CG 3.95Å; V120-P337 PolarHBondContact N-O 3.12Å
338E96.7Very high95.1Very high153 Ų15361.4 Ų61.472%0.71533%0.33SS*.PPolyproline II helixtrans-62151.6162.7-68.7-177.8105.700110.2
339P95.3Very high94.8Very high39 Ų3964.3 Ų64.325%0.25334%0.336SS..PPolyproline II helixtrans-55128.9173.8-23.633.1000110.6G118 H125 L343G118-P339 WeakPolarHBondContact O-CD 3.46Å; H125-P339 WeakPolarHBondContact O-CG 3.45Å; P339-L343 HydrophobicContact CB-CB 4.43Å; P339-L343 HydrophobicContact CB-CD1 3.64Å
340P94.1Very high94.4Very high50 Ų5067.8 Ų67.833%0.32536%0.364SS..PPolyproline II helixtrans-58.3151.1173.125.9-38.7000111.8D342 L343 L376P340-D342 VanDerWaalsContact CB-OD1 3.23Å; P340-D342 WeakPolarHBondContact CB-OD1 3.49Å; P340-D342 WeakPolarHBondContact CG-OD1 3.4Å; P340-D342 PolarHBondContact O-N 3.47Å; P340-D342 VanDerWaalsContact O-N 3.1Å; P340-L343 HydrophobicContact CG-CD1 3.57Å; P340-L343 HydrophobicContact CG-CG 4.08Å; P340-L343 WeakPolarHBondContact O-CB 3.31Å; P340-L343 PolarHBondContact O-N 3.01Å; P340-L376 HydrophobicContact CG-CD2 4.49Å
341L91.1Very high93.9Very high138 Ų13874.5 Ų74.572%0.72340%0.395SS*.G310 helixtrans-62-24.3-169-172.763.1000113.9L343 L344L341-L343 VanDerWaalsContact C-N 3.27Å; L341-L343 PolarHBondContact O-N 2.9Å; L341-L344 HydrophobicContact CD1-CD1 4.13Å; L341-L344 WeakPolarHBondContact O-CB 3.32Å; L341-L344 PolarHBondContact O-N 3.29Å
342D88.2Confident93.1Very high42 Ų4275.1 Ų75.123%0.22539%0.394CS..G310 helixtrans-67.4-25.6176.461.6-30.7000113.2P340 L344 Y345 K368P340-D342 VanDerWaalsContact CB-OD1 3.23Å; P340-D342 WeakPolarHBondContact CB-OD1 3.49Å; P340-D342 WeakPolarHBondContact CG-OD1 3.4Å; P340-D342 PolarHBondContact O-N 3.47Å; P340-D342 VanDerWaalsContact O-N 3.1Å; D342-L344 PolarHBondContact O-N 3.05Å; D342-Y345 PolarHBondContact O-N 3.21Å; D342-K368 HydrophobicContact CB-CD 4.47Å
343L93Very high92.3Very high3 Ų376.9 Ų76.92%0.01640%0.396CS..G310 helixtrans-64.7-19.7172.9-69.7163.3000113V120 K127 P339 P340 L341 Y345 C346 S372 A375 L376V120-L343 HydrophobicContact CG2-CD1 4.39Å; K127-L343 WeakPolarHBondContact CE-O 3.12Å; K127-L343 PolarHBondContact NZ-O 2.93Å; P339-L343 HydrophobicContact CB-CB 4.43Å; P339-L343 HydrophobicContact CB-CD1 3.64Å; P340-L343 HydrophobicContact CG-CD1 3.57Å; P340-L343 HydrophobicContact CG-CG 4.08Å; P340-L343 WeakPolarHBondContact O-CB 3.31Å; P340-L343 PolarHBondContact O-N 3.01Å; L341-L343 VanDerWaalsContact C-N 3.27Å; L341-L343 PolarHBondContact O-N 2.9Å; L343-Y345 PolarHBondContact O-N 3.36Å; L343-Y345 VanDerWaalsContact O-N 3.16Å; L343-C346 HydrophobicContact CD2-CB 4.48Å; L343-C346 PolarHBondContact O-N 3.17Å; L343-S372 VanDerWaalsContact CD2-CA 3.45Å; L343-S372 VanDerWaalsContact CD2-CB 3.49Å; L343-S372 VanDerWaalsContact CD2-OG 3.32Å; L343-S372 WeakPolarHBondContact CD2-OG 3.43Å; L343-A375 HydrophobicContact CD2-CB 3.74Å; L343-L376 HydrophobicContact CD1-CD2 3.73Å; L343-L376 HydrophobicContact CD1-CG 4.29Å; L343-L376 HydrophobicContact CD2-CD2 4.46Å; L343-L376 HydrophobicContact CD2-CG 4.22Å
344L92.5Very high91.8Very high101 Ų10180.6 Ų80.653%0.52942%0.416SS..G310 helixtrans-55.9-32.5178.4-170.3148.7000112L341 D342L341-L344 HydrophobicContact CD1-CD1 4.13Å; L341-L344 WeakPolarHBondContact O-CB 3.32Å; L341-L344 PolarHBondContact O-N 3.29Å; D342-L344 PolarHBondContact O-N 3.05Å
345Y91Very high91.4Very high47 Ų4781.6 Ų81.618%0.18443%0.425CS..G310 helixtrans-99.9-1.7-177.4-54.2-75.4000113.1D342 L343 I356 I365 P367D342-Y345 PolarHBondContact O-N 3.21Å; L343-Y345 PolarHBondContact O-N 3.36Å; L343-Y345 VanDerWaalsContact O-N 3.16Å; Y345-I356 HydrophobicContact CD1-CB 4.39Å; Y345-I356 HydrophobicContact CD1-CG2 4.26Å; Y345-I356 VanDerWaalsContact O-CD1 3.32Å; Y345-I356 WeakPolarHBondContact O-CD1 3.04Å; Y345-I365 HydrophobicContact CD1-CB 4.1Å; Y345-I365 HydrophobicContact CD1-CD1 4.26Å; Y345-I365 HydrophobicContact CD1-CG2 3.81Å; Y345-I365 HydrophobicContact CD2-CG2 3.68Å; Y345-I365 HydrophobicContact CE1-CB 4.07Å; Y345-I365 HydrophobicContact CE1-CD1 3.39Å; Y345-I365 HydrophobicContact CE1-CG1 4.29Å; Y345-I365 HydrophobicContact CE1-CG2 4.03Å; Y345-I365 HydrophobicContact CE2-CD1 3.81Å; Y345-I365 HydrophobicContact CE2-CG2 3.91Å; Y345-I365 HydrophobicContact CG-CB 4.43Å; Y345-I365 HydrophobicContact CG-CG2 3.63Å; Y345-I365 WeakPolarHBondContact OH-CD1 3.11Å; Y345-P367 WeakPolarHBondContact O-CB 3.35Å; Y345-P367 WeakPolarHBondContact O-CG 3.43Å
346C92.3Very high91.1Very high3 Ų374.9 Ų74.92%0.0240%0.397CS..THydrogen-bonded Turntrans-83.3157.5175.7-60.90000111.2L343 V348 A369L343-C346 HydrophobicContact CD2-CB 4.48Å; L343-C346 PolarHBondContact O-N 3.17Å; C346-V348 PolarHBondContact O-N 3.45Å; C346-A369 PolarHBondContact SG-O 3.4Å; C346-A369 VanDerWaalsContact SG-O 3.4Å
347D93.5Very high90.7Very high67 Ų6781.8 Ų81.836%0.35842%0.42SS..THydrogen-bonded Turntrans65.913.2177.6-39-62.8000115.8K127 I370 L371 S372K127-D347 IonicContact NZ-OD2 2.93Å; K127-D347 PolarHBondContact NZ-OD2 3.17Å; D347-I370 PolarHBondContact N-O 2.89Å; D347-L371 VanDerWaalsContact OD1-CA 3.28Å; D347-L371 WeakPolarHBondContact OD1-CA 3.31Å; D347-S372 PolarHBondContact OD1-N 3.2Å; D347-S372 WeakPolarHBondContact OD2-CB 3.44Å; D347-S372 PolarHBondContact OD2-OG 3.27Å
348V93.7Very high90.3Very high75 Ų7578.4 Ų78.446%0.45540%0.401SS..SBendtrans-73.1-41.2175.9176.80000111.5C346 I356C346-V348 PolarHBondContact O-N 3.45Å; V348-I356 HydrophobicContact CB-CD1 3.75Å; V348-I356 HydrophobicContact CG1-CD1 4.07Å; V348-I356 HydrophobicContact CG2-CD1 3.68Å
349Y92.4Very high89.9Confident113 Ų11377.8 Ų77.844%0.44341%0.408SS..SBendtrans-124.1144.2171.4-61-63.9000109.1T352 L354 I370Y349-T352 HydrophobicContact CD2-CG2 4.41Å; Y349-T352 HydrophobicContact CG-CG2 4.15Å; Y349-L354 HydrophobicContact CD2-CB 3.99Å; Y349-L354 HydrophobicContact CD2-CD1 4.18Å; Y349-L354 HydrophobicContact CD2-CG 4.38Å; Y349-L354 HydrophobicContact CE2-CB 3.72Å; Y349-L354 HydrophobicContact CE2-CD1 3.85Å; Y349-L354 HydrophobicContact CE2-CG 4.28Å; Y349-I370 WeakPolarHBondContact O-CG2 3.38Å
350A89.4Confident89.6Confident80 Ų8078.1 Ų78.166%0.66141%0.411SS*.SBendtrans-74.4-32.1-176.200000113.5I370A350-I370 WeakPolarHBondContact O-CG2 3.33Å
351E87.9Confident89.3Confident178 Ų17879.9 Ų79.983%0.83243%0.43SS*.SBendtrans-127.5-7.8-166.2-64.2-177.3-179.400114.6
352T82.2Confident89.3Confident65 Ų6580 Ų8040%0.39943%0.431SS..  trans-138.5145.8-171.6-175.10000113.3Y349 L354Y349-T352 HydrophobicContact CD2-CG2 4.41Å; Y349-T352 HydrophobicContact CG-CG2 4.15Å; T352-L354 HydrophobicContact CG2-CD1 3.91Å; T352-L354 HydrophobicContact CG2-CG 3.73Å; T352-L354 PolarHBondContact O-N 3.23Å
353R81.1Confident89.5Confident124 Ų12481.5 Ų81.547%0.46844%0.437SS..  trans-96.869.7173-61-177.6-172.3-163.2-0.6109.3I366 P367 K368 I370R353-I366 HydrophobicContact CB-CG2 4.08Å; R353-P367 WeakPolarHBondContact CD-O 3.37Å; R353-K368 PolarHBondContact NH1-O 3.46Å; R353-K368 PolarHBondContact NH2-O 2.57Å; R353-K368 VanDerWaalsContact NH2-O 3.17Å; R353-I370 HydrophobicContact CG-CD1 3.97Å; R353-I370 HydrophobicContact CG-CG1 3.31Å
354L86.6Confident89.4Confident78 Ų7886.8 Ų86.841%0.40847%0.465SS..PPolyproline II helixtrans-72.8147.5170.2-66.6174.7000109.8Y349 T352 I356Y349-L354 HydrophobicContact CD2-CB 3.99Å; Y349-L354 HydrophobicContact CD2-CD1 4.18Å; Y349-L354 HydrophobicContact CD2-CG 4.38Å; Y349-L354 HydrophobicContact CE2-CB 3.72Å; Y349-L354 HydrophobicContact CE2-CD1 3.85Å; Y349-L354 HydrophobicContact CE2-CG 4.28Å; T352-L354 HydrophobicContact CG2-CD1 3.91Å; T352-L354 HydrophobicContact CG2-CG 3.73Å; T352-L354 PolarHBondContact O-N 3.23Å; L354-I356 WeakPolarHBondContact O-CG1 3.23Å; L354-I356 PolarHBondContact O-N 3.21Å
355P89.1Confident89.3Confident67 Ų6783.6 Ų83.644%0.43545%0.448SS..PPolyproline II helixtrans-57.2126.6170.4-22.132.5000110.6L364 I366P355-L364 HydrophobicContact CB-CB 4.15Å; P355-L364 HydrophobicContact CB-CD1 4.3Å; P355-L364 HydrophobicContact CB-CD2 4.15Å; P355-L364 HydrophobicContact CB-CG 4.44Å; P355-I366 HydrophobicContact CB-CG1 4.38Å; P355-I366 HydrophobicContact CG-CG1 4.26Å
356I89.8Confident89.2Confident28 Ų2886.7 Ų86.714%0.14447%0.466CS..EExtended strand (participates in β ladder)trans-101.2131.8177.3-53.7-176.3000108Y345 V348 L354 G358 I365 P367Y345-I356 HydrophobicContact CD1-CB 4.39Å; Y345-I356 HydrophobicContact CD1-CG2 4.26Å; Y345-I356 VanDerWaalsContact O-CD1 3.32Å; Y345-I356 WeakPolarHBondContact O-CD1 3.04Å; V348-I356 HydrophobicContact CB-CD1 3.75Å; V348-I356 HydrophobicContact CG1-CD1 4.07Å; V348-I356 HydrophobicContact CG2-CD1 3.68Å; L354-I356 WeakPolarHBondContact O-CG1 3.23Å; L354-I356 PolarHBondContact O-N 3.21Å; I356-G358 PolarHBondContact O-N 2.84Å; I356-I365 PolarHBondContact N-O 3.14Å; I356-I365 PolarHBondContact O-N 3.13Å; I356-P367 HydrophobicContact CD1-CG 3.62Å; I356-P367 HydrophobicContact CG1-CG 4.21Å
357R88.7Confident89Confident182 Ų18286.9 Ų86.969%0.68747%0.468SS*.EExtended strand (participates in β ladder)trans-66.2126.5174.9-170.8-176.670.3-1771.3109.7S360R357-S360 WeakPolarHBondContact CG-O 3.14Å
358G87Confident88.6Confident14 Ų1491.4 Ų91.414%0.14448%0.484CS..  trans-74.4-148.8172.600000112.6I356 S360 Q363I356-G358 PolarHBondContact O-N 2.84Å; G358-S360 VanDerWaalsContact C-N 3.32Å; G358-Q363 PolarHBondContact N-O 3.02Å
359T88.3Confident88.4Confident139 Ų13988.1 Ų88.185%0.85347%0.465SS*.SBendtrans-77-20.1-179.553.30000112.8Q363T359-Q363 PolarHBondContact OG1-OE1 3.5Å
360S89.9Confident88.2Confident46 Ų4684.5 Ų84.532%0.32245%0.452SS..SBendtrans-116.6160173.770.70000112R357 G358 D362 Q363R357-S360 WeakPolarHBondContact CG-O 3.14Å; G358-S360 VanDerWaalsContact C-N 3.32Å; S360-D362 VanDerWaalsContact C-N 3.27Å; S360-D362 WeakPolarHBondContact CB-OD1 3.4Å; S360-D362 PolarHBondContact O-N 3.41Å; S360-D362 PolarHBondContact OG-OD1 3.1Å; S360-Q363 PolarHBondContact O-N 3.39Å; S360-Q363 WeakPolarHBondContact OG-CB 3.49Å; S360-Q363 PolarHBondContact OG-N 3.43Å
361A87.2Confident88.4Confident87 Ų8782.6 Ų82.672%0.71943%0.431SS*.THydrogen-bonded Turntrans-67.7-26.2-176.200000113.9
362D91.7Very high88.6Confident140 Ų14074.1 Ų74.175%0.74939%0.391SS*.THydrogen-bonded Turntrans-89.3-15.4179.260.1-42.3000113.3S360 L364S360-D362 VanDerWaalsContact C-N 3.27Å; S360-D362 WeakPolarHBondContact CB-OD1 3.4Å; S360-D362 PolarHBondContact O-N 3.41Å; S360-D362 PolarHBondContact OG-OD1 3.1Å; D362-L364 PolarHBondContact O-N 3.22Å
363Q91.2Very high88.9Confident75 Ų7578.8 Ų78.835%0.3540%0.402SS..  trans-83.8111.3177.1-170.4-178.428.500110.4G358 T359 S360 I365G358-Q363 PolarHBondContact N-O 3.02Å; T359-Q363 PolarHBondContact OG1-OE1 3.5Å; S360-Q363 PolarHBondContact O-N 3.39Å; S360-Q363 WeakPolarHBondContact OG-CB 3.49Å; S360-Q363 PolarHBondContact OG-N 3.43Å; Q363-I365 HydrophobicContact CG-CD1 4.25Å; Q363-I365 HydrophobicContact CG-CG1 4.18Å
364L91.8Very high89.2Confident114 Ų11476.4 Ų76.460%0.59740%0.398SS*.EExtended strand (participates in β ladder)trans-109.5128.4172.1-66.9178.4000110.2P355 D362P355-L364 HydrophobicContact CB-CB 4.15Å; P355-L364 HydrophobicContact CB-CD1 4.3Å; P355-L364 HydrophobicContact CB-CD2 4.15Å; P355-L364 HydrophobicContact CB-CG 4.44Å; D362-L364 PolarHBondContact O-N 3.22Å
365I89.6Confident89.2Confident34 Ų3472.9 Ų72.917%0.17438%0.381CS..EExtended strand (participates in β ladder)trans-118.3120.9-177.7-62.3173.6000108.1Y345 I356 Q363Y345-I365 HydrophobicContact CD1-CB 4.1Å; Y345-I365 HydrophobicContact CD1-CD1 4.26Å; Y345-I365 HydrophobicContact CD1-CG2 3.81Å; Y345-I365 HydrophobicContact CD2-CG2 3.68Å; Y345-I365 HydrophobicContact CE1-CB 4.07Å; Y345-I365 HydrophobicContact CE1-CD1 3.39Å; Y345-I365 HydrophobicContact CE1-CG1 4.29Å; Y345-I365 HydrophobicContact CE1-CG2 4.03Å; Y345-I365 HydrophobicContact CE2-CD1 3.81Å; Y345-I365 HydrophobicContact CE2-CG2 3.91Å; Y345-I365 HydrophobicContact CG-CB 4.43Å; Y345-I365 HydrophobicContact CG-CG2 3.63Å; Y345-I365 WeakPolarHBondContact OH-CD1 3.11Å; I356-I365 PolarHBondContact N-O 3.14Å; I356-I365 PolarHBondContact O-N 3.13Å; Q363-I365 HydrophobicContact CG-CD1 4.25Å; Q363-I365 HydrophobicContact CG-CG1 4.18Å
366I89.1Confident89Confident111 Ų11171.5 Ų71.557%0.56937%0.369SS*.  trans-94.3118171.6-61.2169.7000107R353 P355 K368R353-I366 HydrophobicContact CB-CG2 4.08Å; P355-I366 HydrophobicContact CB-CG1 4.38Å; P355-I366 HydrophobicContact CG-CG1 4.26Å; I366-K368 PolarHBondContact O-N 3.34Å
367P88.4Confident88.7Confident8 Ų875.5 Ų75.55%0.05240%0.395CS..  trans-56.1136.1-179.8-23.732.4000111.9Y345 R353 I356 A369Y345-P367 WeakPolarHBondContact O-CB 3.35Å; Y345-P367 WeakPolarHBondContact O-CG 3.43Å; R353-P367 WeakPolarHBondContact CD-O 3.37Å; I356-P367 HydrophobicContact CD1-CG 3.62Å; I356-P367 HydrophobicContact CG1-CG 4.21Å; P367-A369 WeakPolarHBondContact CB-O 3.18Å; P367-A369 PolarHBondContact O-N 3.45Å
368K85Confident87.7Confident161 Ų16171.1 Ų71.170%0.740%0.398SS*.SBendtrans-64.9-28.9175.1-70.8-175.7-178.7177.10112.3D342 R353 I366D342-K368 HydrophobicContact CB-CD 4.47Å; R353-K368 PolarHBondContact NH1-O 3.46Å; R353-K368 PolarHBondContact NH2-O 2.57Å; R353-K368 VanDerWaalsContact NH2-O 3.17Å; I366-K368 PolarHBondContact O-N 3.34Å
369A89.2Confident86.6Confident6 Ų673.9 Ų73.95%0.0542%0.415CS..  trans-135.1155.8170.300000109.8C346 P367 D374 A375C346-A369 PolarHBondContact SG-O 3.4Å; C346-A369 VanDerWaalsContact SG-O 3.4Å; P367-A369 WeakPolarHBondContact CB-O 3.18Å; P367-A369 PolarHBondContact O-N 3.45Å; A369-D374 HydrophobicContact CB-CB 4.13Å; A369-A375 HydrophobicContact CB-CB 3.79Å
370I89.9Confident85.3Confident37 Ų3774 Ų7419%0.1943%0.43CS..SBendtrans-75.7-48.7174.7-64.2169.9000109D347 Y349 A350 R353D347-I370 PolarHBondContact N-O 2.89Å; Y349-I370 WeakPolarHBondContact O-CG2 3.38Å; A350-I370 WeakPolarHBondContact O-CG2 3.33Å; R353-I370 HydrophobicContact CG-CD1 3.97Å; R353-I370 HydrophobicContact CG-CG1 3.31Å
371L91.7Very high85.1Confident40 Ų4075.5 Ų75.521%0.20944%0.435CS..SBendtrans-108.5144.9-174.5-55.3175.9000111D347 R373 D374 A375D347-L371 VanDerWaalsContact OD1-CA 3.28Å; D347-L371 WeakPolarHBondContact OD1-CA 3.31Å; L371-R373 HydrophobicContact CB-CG 4.12Å; L371-R373 PolarHBondContact O-N 2.76Å; L371-D374 PolarHBondContact O-N 3.32Å; L371-A375 PolarHBondContact O-N 3.04Å
372S92.1Very high85Confident0 Ų074.8 Ų74.80%042%0.42CS..Hα-helixtrans-55.3-40.7177.2-77.10000112.9H125 K127 L343 D347 D374 A375 L376H125-S372 WeakPolarHBondContact ND1-CB 3.34Å; K127-S372 PolarHBondContact NZ-OG 2.91Å; L343-S372 VanDerWaalsContact CD2-CA 3.45Å; L343-S372 VanDerWaalsContact CD2-CB 3.49Å; L343-S372 VanDerWaalsContact CD2-OG 3.32Å; L343-S372 WeakPolarHBondContact CD2-OG 3.43Å; D347-S372 PolarHBondContact OD1-N 3.2Å; D347-S372 WeakPolarHBondContact OD2-CB 3.44Å; D347-S372 PolarHBondContact OD2-OG 3.27Å; S372-D374 PolarHBondContact O-N 2.97Å; S372-A375 PolarHBondContact O-N 3.29Å; S372-L376 VanDerWaalsContact O-CG 3.28Å; S372-L376 WeakPolarHBondContact O-CG 3.48Å; S372-L376 PolarHBondContact O-N 3.36Å
373R88.5Confident84.6Confident164 Ų16471.2 Ų71.262%0.61940%0.402SS*.Hα-helixtrans-58-37-179.975-175.3-177.2-172.6-6.1111.9L371 V377L371-R373 HydrophobicContact CB-CG 4.12Å; L371-R373 PolarHBondContact O-N 2.76Å; R373-V377 WeakPolarHBondContact O-CG2 3.5Å; R373-V377 PolarHBondContact O-N 3.21Å
374D88.2Confident84.2Confident74 Ų7471 Ų7140%0.39641%0.405SS..Hα-helixtrans-77.4-37.3-177.6-53.8-26.9000110.1A369 L371 S372 A378A369-D374 HydrophobicContact CB-CB 4.13Å; L371-D374 PolarHBondContact O-N 3.32Å; S372-D374 PolarHBondContact O-N 2.97Å; D374-A378 PolarHBondContact O-N 3.18Å
375A86Confident83.8Confident4 Ų468.3 Ų68.33%0.03339%0.393CS..Hα-helixtrans-62.2-42.9173.100000111.9L343 A369 L371 S372 V377 A378 S379L343-A375 HydrophobicContact CD2-CB 3.74Å; A369-A375 HydrophobicContact CB-CB 3.79Å; L371-A375 PolarHBondContact O-N 3.04Å; S372-A375 PolarHBondContact O-N 3.29Å; A375-V377 PolarHBondContact O-N 3.36Å; A375-A378 PolarHBondContact O-N 3.12Å; A375-A378 VanDerWaalsContact O-N 3.17Å; A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 VanDerWaalsContact O-N 3.14Å; A375-S379 PolarHBondContact O-OG 3.18Å
376L86.2Confident83.4Confident37 Ų3770.6 Ų70.619%0.19441%0.408CS..Hα-helixtrans-64.9-40.2-178.5-71.3174.4000112.5V120 P340 L343 S372 A378 S379 A380V120-L376 HydrophobicContact CG2-CD1 3.75Å; V120-L376 HydrophobicContact CG2-CD2 3.28Å; V120-L376 HydrophobicContact CG2-CG 4.16Å; P340-L376 HydrophobicContact CG-CD2 4.49Å; L343-L376 HydrophobicContact CD1-CD2 3.73Å; L343-L376 HydrophobicContact CD1-CG 4.29Å; L343-L376 HydrophobicContact CD2-CD2 4.46Å; L343-L376 HydrophobicContact CD2-CG 4.22Å; S372-L376 VanDerWaalsContact O-CG 3.28Å; S372-L376 WeakPolarHBondContact O-CG 3.48Å; S372-L376 PolarHBondContact O-N 3.36Å; L376-A378 VanDerWaalsContact C-N 3.29Å; L376-A378 PolarHBondContact O-N 3.13Å; L376-S379 WeakPolarHBondContact CA-OG 3.44Å; L376-S379 PolarHBondContact O-N 3.44Å; L376-S379 PolarHBondContact O-OG 2.88Å; L376-A380 PolarHBondContact O-N 3.02Å
377V82.4Confident83Confident113 Ų11367.7 Ų67.769%0.68540%0.396SS*.Hα-helixtrans-64.3-35.2174.5173.60000111.7R373 A375 S379R373-V377 WeakPolarHBondContact O-CG2 3.5Å; R373-V377 PolarHBondContact O-N 3.21Å; A375-V377 PolarHBondContact O-N 3.36Å; V377-S379 VanDerWaalsContact C-N 3.28Å; V377-S379 PolarHBondContact O-N 2.91Å
378A68.1Low82.5Confident90 Ų9072.3 Ų72.374%0.74442%0.423SS*.Hα-helixtrans-75-16.6177.700000113.8D374 A375 L376D374-A378 PolarHBondContact O-N 3.18Å; A375-A378 PolarHBondContact O-N 3.12Å; A375-A378 VanDerWaalsContact O-N 3.17Å; L376-A378 VanDerWaalsContact C-N 3.29Å; L376-A378 PolarHBondContact O-N 3.13Å
379S63.6Low82.3Confident72 Ų7264.9 Ų64.950%0.50340%0.4SS..Hα-helixtrans-98.7-12.7-178.567.20000114.7A375 L376 V377A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 VanDerWaalsContact O-N 3.14Å; A375-S379 PolarHBondContact O-OG 3.18Å; L376-S379 WeakPolarHBondContact CA-OG 3.44Å; L376-S379 PolarHBondContact O-N 3.44Å; L376-S379 PolarHBondContact O-OG 2.88Å; V377-S379 VanDerWaalsContact C-N 3.28Å; V377-S379 PolarHBondContact O-N 2.91Å
380A62.2Low81.7Confident142 Ų14270.3 Ų70.3100%1.17443%0.431SS*.  trans-89.40174.500000110.4L376L376-A380 PolarHBondContact O-N 3.02Å

Retrieved 380 of 380 residues in 238.4 ms (Link to these results)

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