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S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine (AdoMet) from methionine and ATP. The overall synthetic reaction is composed of two sequential steps, AdoMet formation and the subsequent tripolyphosphate hydrolysis which occurs prior to release of AdoMet from the enzyme.

AlphaFold DB , UniProt , Accession Q32C11, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene metK, Length 384 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.6Low94Very high124 Ų12468.9 Ų68.961%0.61136%0.361SS*.  0150.30-72.1-173-141.100110D175M1-D175 PolarHBondContact N-OD1 3.41Å; M1-D175 WeakPolarHBondContact O-CA 3.35Å
2A84.2Confident94.4Very high84 Ų8463.2 Ų63.269%0.69433%0.331SS*.  trans-70.6160.2173.800000111.7H4A2-H4 PolarHBondContact O-N 3.1Å; A2-H4 PolarHBondContact O-ND1 3.42Å; A2-H4 VanDerWaalsContact O-ND1 3.1Å
3K93.8Very high94.7Very high157 Ų15759.2 Ų59.268%0.68331%0.309SS*.  trans-55.8132.2171.4-70.9-177.2175.2-176.10110.7Y173 D174K3-Y173 VanDerWaalsContact CA-O 3.27Å; K3-Y173 WeakPolarHBondContact CA-O 3.27Å; K3-D174 WeakPolarHBondContact CE-OD2 3.18Å; K3-D174 HydrophobicContact CG-CB 4.09Å; K3-D174 WeakPolarHBondContact CG-OD1 2.92Å; K3-D174 IonicContact NZ-OD2 3.72Å
4H96.9Very high95Very high75 Ų7554.9 Ų54.935%0.34729%0.287SS..EExtended strand (participates in β ladder)trans-150.1165.2177.964-80.6000111.6A2 Y173A2-H4 PolarHBondContact O-N 3.1Å; A2-H4 PolarHBondContact O-ND1 3.42Å; A2-H4 VanDerWaalsContact O-ND1 3.1Å; H4-Y173 VanDerWaalsContact CE1-CB 3.46Å; H4-Y173 WeakPolarHBondContact CE1-CB 3.36Å; H4-Y173 PolarHBondContact N-O 2.98Å; H4-Y173 AromaticContact NE2-CG 3.95Å; H4-Y173 PolarHBondContact O-N 3.37Å
5L97.9Very high95.3Very high97 Ų9751.9 Ų51.951%0.50827%0.271SS..EExtended strand (participates in β ladder)trans-105.3141.8172.2-58.9-177.3000109.2T170 F171 Q172 D182L5-T170 HydrophobicContact CB-CG2 3.94Å; L5-T170 HydrophobicContact CD1-CG2 4.28Å; L5-T170 HydrophobicContact CD2-CG2 4.49Å; L5-T170 HydrophobicContact CG-CG2 4.47Å; L5-F171 WeakPolarHBondContact CA-O 3.48Å; L5-Q172 HydrophobicContact CD2-CB 4.17Å; L5-Q172 HydrophobicContact CD2-CG 3.61Å; L5-D182 HydrophobicContact CD2-CB 4.01Å
6F98.4Very high95.4Very high49 Ų4948.7 Ų48.722%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-133.3138.2172.6-168.5-84.5000110P138 T170 F171 Y173 M255F6-P138 HydrophobicContact CD1-CB 4.17Å; F6-P138 HydrophobicContact CD1-CG 3.91Å; F6-T170 CarbonylContact O-C 3.57Å; F6-T170 WeakPolarHBondContact O-CA 3.44Å; F6-F171 PolarHBondContact N-O 2.9Å; F6-F171 PolarHBondContact O-N 2.94Å; F6-Y173 HydrophobicContact CB-CD2 4.12Å; F6-Y173 HydrophobicContact CB-CE2 3.87Å; F6-M255 HydrophobicContact CD1-CE 3.65Å; F6-M255 HydrophobicContact CD1-SD 4.44Å; F6-M255 HydrophobicContact CD2-CE 4.47Å; F6-M255 HydrophobicContact CD2-SD 4.39Å; F6-M255 HydrophobicContact CE1-CB 4.3Å; F6-M255 HydrophobicContact CE1-CE 3.82Å; F6-M255 HydrophobicContact CE1-SD 4.25Å; F6-M255 HydrophobicContact CE2-SD 4.21Å; F6-M255 HydrophobicContact CG-CE 4.01Å; F6-M255 HydrophobicContact CZ-CB 4.2Å; F6-M255 HydrophobicContact CZ-CE 4.32Å; F6-M255 HydrophobicContact CZ-SD 4.16Å
7T98.8Very high95.6Very high58 Ų5846.5 Ų46.536%0.35624%0.243SC..EExtended strand (participates in β ladder)trans-127134.5-173.1-56.70000110.6Q168 V169 T170T7-Q168 HydrophobicContact CG2-CG 3.32Å; T7-V169 WeakPolarHBondContact CA-O 3.48Å; T7-T170 WeakPolarHBondContact CG2-OG1 3.48Å; T7-T170 WeakPolarHBondContact OG1-CB 3.32Å; T7-T170 WeakPolarHBondContact OG1-CG2 3.29Å; T7-T170 PolarHBondContact OG1-OG1 2.81Å
8S98.8Very high95.8Very high4 Ų443.9 Ų43.93%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-127.5158.9166.2-600000110.2P138 Q168 V169 G253S8-P138 WeakPolarHBondContact OG-CB 3.37Å; S8-Q168 WeakPolarHBondContact O-CA 3.49Å; S8-V169 PolarHBondContact N-O 2.86Å; S8-V169 VanDerWaalsContact N-O 3.16Å; S8-V169 PolarHBondContact O-N 3.41Å; S8-G253 WeakPolarHBondContact CB-O 3.4Å; S8-G253 PolarHBondContact OG-O 3.1Å
9E98.9Very high96Very high103 Ų10341.6 Ų41.648%0.48122%0.217SC..EExtended strand (participates in β ladder)trans-129.5161.6177.864.7174.7-160.100111.9I139 S167 Q168 V249E9-I139 VanDerWaalsContact O-CD1 3.26Å; E9-I139 WeakPolarHBondContact O-CD1 3.45Å; E9-S167 CarbonylContact C-O 3.55Å; E9-S167 WeakPolarHBondContact CA-O 3.17Å; E9-S167 WeakPolarHBondContact CB-O 3.37Å; E9-Q168 HydrophobicContact CB-CB 4.19Å; E9-Q168 HydrophobicContact CB-CG 4.2Å; E9-V249 HydrophobicContact CG-CG2 4.49Å
10S98.9Very high96.1Very high1 Ų139.6 Ų39.61%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-146.5165.7173.6-159.10000110.8H143 K166 S167 V249S10-H143 PolarHBondContact OG-CE1 3.38Å; S10-H143 PolarHBondContact OG-ND1 2.63Å; S10-K166 WeakPolarHBondContact O-CA 3.33Å; S10-S167 PolarHBondContact N-O 2.99Å; S10-S167 PolarHBondContact O-N 3.29Å; S10-V249 WeakPolarHBondContact OG-CG1 3.38Å
11V98.9Very high96.2Very high6 Ų637.7 Ų37.74%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-136.3146.5179.3-59.10000109.7H15 K18 A165 K166 K246V11-H15 HydrophobicContact CB-CB 3.74Å; V11-H15 HydrophobicContact CG2-CB 3.81Å; V11-K18 HydrophobicContact CG2-CD 4.47Å; V11-K18 HydrophobicContact CG2-CG 3.5Å; V11-A165 CarbonylContact C-O 3.48Å; V11-A165 WeakPolarHBondContact CA-O 3.26Å; V11-K166 HydrophobicContact CG1-CB 4.43Å; V11-K166 HydrophobicContact CG1-CG 4.05Å; V11-K246 HydrophobicContact CG2-CD 3.97Å; V11-K246 HydrophobicContact CG2-CG 4.28Å
12S98.8Very high97.7Very high0 Ų032.6 Ų32.60%017%0.171CC..  trans-66.1166.3177.665.50000112.5G14 H15 P163 A165S12-G14 PolarHBondContact O-N 2.86Å; S12-G14 VanDerWaalsContact O-N 3.08Å; S12-G14 PolarHBondContact OG-N 3.12Å; S12-H15 WeakPolarHBondContact O-CB 3.43Å; S12-H15 PolarHBondContact O-N 3.45Å; S12-H15 VanDerWaalsContact O-N 3.11Å; S12-P163 PolarHBondContact OG-O 3.47Å; S12-A165 PolarHBondContact N-O 3.38Å; S12-A165 PolarHBondContact OG-N 2.99Å; S12-A165 PolarHBondContact OG-O 2.83Å
13E98.8Very high98.4Very high11 Ų1128.6 Ų28.65%0.05114%0.138CC..THydrogen-bonded Turntrans-53.5-22.7167.164.3-176.5-142.900114.3Q22 I76 R153 K154 A357 Y358E13-Q22 PolarHBondContact O-NE2 3.03Å; E13-I76 HydrophobicContact CG-CG2 4.29Å; E13-I76 WeakPolarHBondContact O-CG2 3.37Å; E13-R153 IonicContact OE1-CZ 2.72Å; E13-R153 IonicContact OE1-NH2 2.74Å; E13-R153 PolarHBondContact OE1-NH2 2.8Å; E13-K154 WeakPolarHBondContact OE1-CE 3.4Å; E13-K154 IonicContact OE1-NZ 3.23Å; E13-K154 PolarHBondContact OE1-NZ 3.35Å; E13-K154 IonicContact OE2-NZ 3.62Å; E13-K154 PolarHBondContact OE2-NZ 2.9Å; E13-A357 HydrophobicContact CB-CB 4.11Å; E13-Y358 HydrophobicContact CB-CE2 4.36Å; E13-Y358 WeakPolarHBondContact CB-OH 3.16Å; E13-Y358 WeakPolarHBondContact CG-OH 3.36Å; E13-Y358 PolarHBondContact N-OH 2.86Å; E13-Y358 PolarHBondContact OE2-OH 3.45Å
14G98.5Very high98.6Very high0 Ų021.1 Ų21.10%011%0.106CC..THydrogen-bonded Turntrans-86.6-5.2-179.500000114.8S12 Y78 P163S12-G14 PolarHBondContact O-N 2.86Å; S12-G14 VanDerWaalsContact O-N 3.08Å; S12-G14 PolarHBondContact OG-N 3.12Å; G14-Y78 WeakPolarHBondContact O-CE2 3.29Å; G14-Y78 PolarHBondContact O-OH 3.31Å; G14-P163 WeakPolarHBondContact CA-O 3.35Å
15H98.6Very high98.7Very high10 Ų1017.6 Ų17.65%0.0469%0.089CC..SBendtrans-67.3136.8174.9-177.4-78.4000110.1V11 S12 D17 K18 I19 D164 K246V11-H15 HydrophobicContact CB-CB 3.74Å; V11-H15 HydrophobicContact CG2-CB 3.81Å; S12-H15 WeakPolarHBondContact O-CB 3.43Å; S12-H15 PolarHBondContact O-N 3.45Å; S12-H15 VanDerWaalsContact O-N 3.11Å; H15-D17 IonicContact CE1-OD2 3.78Å; H15-D17 PolarHBondContact CE1-OD2 3Å; H15-D17 VanDerWaalsContact CE1-OD2 3.27Å; H15-D17 PolarHBondContact ND1-N 3.46Å; H15-D17 IonicContact ND1-OD2 2.85Å; H15-D17 PolarHBondContact O-N 2.99Å; H15-K18 HydrophobicContact CB-CB 4.28Å; H15-K18 HydrophobicContact CB-CG 4.45Å; H15-K18 CarbonylContact O-C 3.6Å; H15-K18 WeakPolarHBondContact O-CA 3.5Å; H15-K18 WeakPolarHBondContact O-CB 3Å; H15-K18 PolarHBondContact O-N 2.91Å; H15-I19 WeakPolarHBondContact O-CG1 3.49Å; H15-I19 PolarHBondContact O-N 2.85Å; H15-D164 IonicContact CD2-OD1 2.9Å; H15-K246 VanDerWaalsContact CE1-CE 3.44Å; H15-K246 WeakPolarHBondContact CE1-CE 3.48Å
16P98.4Very high98.8Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-59.2-39.6-170.220.3-31.5000114.3K18 I19 A20 P236 D239 G241P16-K18 VanDerWaalsContact C-N 3.27Å; P16-K18 PolarHBondContact O-N 2.81Å; P16-I19 WeakPolarHBondContact O-CB 3.32Å; P16-I19 PolarHBondContact O-N 3.2Å; P16-A20 PolarHBondContact O-N 2.82Å; P16-A20 VanDerWaalsContact O-N 3.12Å; P16-P236 HydrophobicContact CB-CG 4.35Å; P16-D239 HydrophobicContact CG-CB 3.89Å; P16-G241 VanDerWaalsContact C-CA 3.42Å
17D98.8Very high98.8Very high12 Ų1211 Ų116%0.0646%0.058CC..Hα-helixtrans-61.7-35.2171.7-66.5-40.9000112.6H15 A20 D21 G241 L242 R245 K246H15-D17 IonicContact CE1-OD2 3.78Å; H15-D17 PolarHBondContact CE1-OD2 3Å; H15-D17 VanDerWaalsContact CE1-OD2 3.27Å; H15-D17 PolarHBondContact ND1-N 3.46Å; H15-D17 IonicContact ND1-OD2 2.85Å; H15-D17 PolarHBondContact O-N 2.99Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.92Å; D17-D21 PolarHBondContact O-N 2.83Å; D17-G241 VanDerWaalsContact OD1-CA 3.27Å; D17-G241 WeakPolarHBondContact OD1-CA 3.46Å; D17-L242 PolarHBondContact OD1-N 3.43Å; D17-R245 HydrophobicContact CB-CB 4.17Å; D17-R245 WeakPolarHBondContact OD1-CB 3.24Å; D17-K246 HydrophobicContact CB-CG 3.75Å; D17-K246 IonicContact OD2-NZ 3.15Å; D17-K246 PolarHBondContact OD2-NZ 2.99Å
18K98.8Very high98.8Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-76.6-26.7176.7-72.3-44.1-158171.90113.8V11 H15 P16 A20 D21 Q22 K246 D250 A356V11-K18 HydrophobicContact CG2-CD 4.47Å; V11-K18 HydrophobicContact CG2-CG 3.5Å; H15-K18 HydrophobicContact CB-CB 4.28Å; H15-K18 HydrophobicContact CB-CG 4.45Å; H15-K18 CarbonylContact O-C 3.6Å; H15-K18 WeakPolarHBondContact O-CA 3.5Å; H15-K18 WeakPolarHBondContact O-CB 3Å; H15-K18 PolarHBondContact O-N 2.91Å; P16-K18 VanDerWaalsContact C-N 3.27Å; P16-K18 PolarHBondContact O-N 2.81Å; K18-A20 VanDerWaalsContact C-N 3.32Å; K18-D21 HydrophobicContact CD-CB 4.28Å; K18-D21 VanDerWaalsContact CD-OD2 3.25Å; K18-D21 WeakPolarHBondContact CD-OD2 3.5Å; K18-D21 IonicContact NZ-OD2 3.87Å; K18-D21 PolarHBondContact NZ-OD2 3.06Å; K18-Q22 WeakPolarHBondContact O-CB 3.49Å; K18-Q22 VanDerWaalsContact O-CG 3.3Å; K18-Q22 WeakPolarHBondContact O-CG 3.42Å; K18-Q22 PolarHBondContact O-N 2.98Å; K18-Q22 PolarHBondContact O-NE2 3.04Å; K18-K246 HydrophobicContact CD-CB 4.2Å; K18-K246 HydrophobicContact CD-CG 4.32Å; K18-D250 VanDerWaalsContact CE-OD1 3.32Å; K18-D250 WeakPolarHBondContact CE-OD1 3.22Å; K18-D250 IonicContact NZ-OD1 3.49Å; K18-D250 PolarHBondContact NZ-OD1 2.93Å; K18-D250 IonicContact NZ-OD2 2.59Å; K18-D250 PolarHBondContact NZ-OD2 2.91Å; K18-A356 VanDerWaalsContact CD-O 3.27Å; K18-A356 WeakPolarHBondContact CD-O 3.45Å; K18-A356 WeakPolarHBondContact CE-O 3.1Å; K18-A356 PolarHBondContact NZ-O 2.94Å
19I98.7Very high98.8Very high0 Ų09.1 Ų9.10%05%0.045CC..Hα-helixtrans-61.8-45.8167-58.7170.4000109.3H15 P16 Q22 I23 V46 V73 I76 Y78 P236H15-I19 WeakPolarHBondContact O-CG1 3.49Å; H15-I19 PolarHBondContact O-N 2.85Å; P16-I19 WeakPolarHBondContact O-CB 3.32Å; P16-I19 PolarHBondContact O-N 3.2Å; I19-Q22 PolarHBondContact O-N 3.12Å; I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.47Å; I19-I23 WeakPolarHBondContact O-CD1 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 2.84Å; I19-V46 HydrophobicContact CG2-CG1 4.4Å; I19-V46 HydrophobicContact CG2-CG2 4.24Å; I19-V73 HydrophobicContact CG2-CG2 4.25Å; I19-I76 HydrophobicContact CB-CD1 4.27Å; I19-I76 HydrophobicContact CG1-CD1 4.04Å; I19-I76 HydrophobicContact CG1-CG2 4.49Å; I19-I76 HydrophobicContact CG2-CD1 4.15Å; I19-Y78 HydrophobicContact CD1-CD2 3.84Å; I19-Y78 HydrophobicContact CD1-CE2 3.33Å; I19-Y78 HydrophobicContact CG1-CE2 4.15Å; I19-P236 HydrophobicContact CD1-CG 3.7Å
20A98.9Very high98.8Very high0 Ų05.5 Ų5.50%03%0.034CC..Hα-helixtrans-61.2-48178.400000112.2P16 D17 K18 Q22 I23 S24 T44 V46 L242 T243P16-A20 PolarHBondContact O-N 2.82Å; P16-A20 VanDerWaalsContact O-N 3.12Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.92Å; K18-A20 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 2.83Å; A20-I23 PolarHBondContact O-N 2.86Å; A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.34Å; A20-S24 PolarHBondContact O-OG 2.66Å; A20-T44 HydrophobicContact CB-CG2 4.16Å; A20-T44 WeakPolarHBondContact CB-O 3.47Å; A20-T44 WeakPolarHBondContact O-CB 3.47Å; A20-V46 HydrophobicContact CB-CG2 3.92Å; A20-L242 VanDerWaalsContact CB-C 3.44Å; A20-T243 VanDerWaalsContact CB-N 3.33Å; A20-T243 PolarHBondContact O-OG1 3.15Å
21D98.9Very high98.8Very high0 Ų05.5 Ų5.50%03%0.033CC..Hα-helixtrans-56.7-47.1175.4-74-32.8000112.1D17 K18 I23 S24 D25 T243 G244 S264 A356D17-D21 PolarHBondContact O-N 2.83Å; K18-D21 HydrophobicContact CD-CB 4.28Å; K18-D21 VanDerWaalsContact CD-OD2 3.25Å; K18-D21 WeakPolarHBondContact CD-OD2 3.5Å; K18-D21 IonicContact NZ-OD2 3.87Å; K18-D21 PolarHBondContact NZ-OD2 3.06Å; D21-I23 PolarHBondContact O-N 3.41Å; D21-S24 PolarHBondContact O-N 3.19Å; D21-D25 PolarHBondContact O-N 3.18Å; D21-T243 WeakPolarHBondContact OD1-CA 3.38Å; D21-G244 PolarHBondContact OD1-N 3.26Å; D21-S264 WeakPolarHBondContact CB-OG 3.3Å; D21-S264 WeakPolarHBondContact OD1-CB 3.2Å; D21-S264 PolarHBondContact OD1-OG 3.22Å; D21-A356 HydrophobicContact CB-CB 4.09Å
22Q98.9Very high98.7Very high18 Ų185.3 Ų5.38%0.0843%0.032CC..Hα-helixtrans-65.8-37.3-179.4-76.9168.493.500112.8E13 K18 I19 A20 A26 T72 I76 A356E13-Q22 PolarHBondContact O-NE2 3.03Å; K18-Q22 WeakPolarHBondContact O-CB 3.49Å; K18-Q22 VanDerWaalsContact O-CG 3.3Å; K18-Q22 WeakPolarHBondContact O-CG 3.42Å; K18-Q22 PolarHBondContact O-N 2.98Å; K18-Q22 PolarHBondContact O-NE2 3.04Å; I19-Q22 PolarHBondContact O-N 3.12Å; A20-Q22 PolarHBondContact O-N 2.83Å; Q22-A26 WeakPolarHBondContact O-CB 3.32Å; Q22-A26 PolarHBondContact O-N 2.9Å; Q22-T72 HydrophobicContact CB-CG2 3.89Å; Q22-I76 HydrophobicContact CB-CD1 4.32Å; Q22-A356 HydrophobicContact CB-CB 4.23Å; Q22-A356 HydrophobicContact CG-CB 3.65Å
23I98.9Very high98.7Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-66.7-46.3175.3-68.8162.1000110I19 A20 D21 D25 A26 V27 T44 V46 V51 V53 T69 T72 V73I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.47Å; I19-I23 WeakPolarHBondContact O-CD1 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 2.84Å; A20-I23 PolarHBondContact O-N 2.86Å; D21-I23 PolarHBondContact O-N 3.41Å; I23-D25 VanDerWaalsContact C-N 3.33Å; I23-D25 PolarHBondContact O-N 2.82Å; I23-A26 PolarHBondContact O-N 2.77Å; I23-V27 WeakPolarHBondContact O-CG2 3.44Å; I23-V27 PolarHBondContact O-N 2.81Å; I23-T44 HydrophobicContact CB-CG2 4.03Å; I23-T44 HydrophobicContact CD1-CG2 4.07Å; I23-T44 HydrophobicContact CG2-CG2 3.92Å; I23-V46 HydrophobicContact CD1-CG2 4.38Å; I23-V51 HydrophobicContact CD1-CG1 3.98Å; I23-V51 HydrophobicContact CD1-CG2 4.39Å; I23-V53 HydrophobicContact CG2-CG2 4.05Å; I23-T69 HydrophobicContact CD1-CG2 4.09Å; I23-T69 HydrophobicContact CG2-CG2 4.45Å; I23-T72 HydrophobicContact CG1-CG2 3.87Å; I23-V73 HydrophobicContact CD1-CG2 4.05Å
24S98.9Very high98.7Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-55.8-45.7177-81.50000112.2A20 D21 L28 C42 T44 T243A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.34Å; A20-S24 PolarHBondContact O-OG 2.66Å; D21-S24 PolarHBondContact O-N 3.19Å; S24-L28 PolarHBondContact O-N 3.13Å; S24-L28 VanDerWaalsContact O-N 3.16Å; S24-C42 VanDerWaalsContact CB-O 3.29Å; S24-C42 WeakPolarHBondContact CB-O 3.42Å; S24-C42 PolarHBondContact OG-O 3.19Å; S24-T44 PolarHBondContact OG-N 2.7Å; S24-T44 PolarHBondContact OG-OG1 2.93Å; S24-T243 WeakPolarHBondContact OG-CG2 3.32Å; S24-T243 PolarHBondContact OG-OG1 2.99Å
25D98.9Very high98.6Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-77.1-27.8177.3-84.9-22.1000114.1D21 I23 V27 L28 D29 S264 G265 R273 A356D21-D25 PolarHBondContact O-N 3.18Å; I23-D25 VanDerWaalsContact C-N 3.33Å; I23-D25 PolarHBondContact O-N 2.82Å; D25-V27 VanDerWaalsContact C-N 3.32Å; D25-L28 WeakPolarHBondContact O-CB 3.18Å; D25-L28 PolarHBondContact O-N 2.59Å; D25-D29 WeakPolarHBondContact O-CB 3.37Å; D25-D29 PolarHBondContact O-N 3.35Å; D25-S264 WeakPolarHBondContact OD1-CA 3.31Å; D25-S264 PolarHBondContact OD2-OG 3.29Å; D25-G265 PolarHBondContact OD1-N 2.75Å; D25-R273 IonicContact OD1-CZ 3.84Å; D25-R273 VanDerWaalsContact OD1-CZ 3.31Å; D25-R273 IonicContact OD1-NH1 2.76Å; D25-R273 PolarHBondContact OD1-NH1 3.06Å; D25-R273 IonicContact OD1-NH2 3.89Å; D25-R273 PolarHBondContact OD1-NH2 3.03Å; D25-R273 IonicContact OD2-CZ 2.62Å; D25-R273 IonicContact OD2-NH2 2.77Å; D25-R273 PolarHBondContact OD2-NH2 2.94Å; D25-A356 HydrophobicContact CB-CB 4.29Å
26A98.9Very high98.5Very high8 Ų820.1 Ų20.17%0.06611%0.107CC..Hα-helixtrans-65-37.4171.700000111.9Q22 I23 A30 I68 T72 K353Q22-A26 WeakPolarHBondContact O-CB 3.32Å; Q22-A26 PolarHBondContact O-N 2.9Å; I23-A26 PolarHBondContact O-N 2.77Å; A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 3.11Å; A26-A30 VanDerWaalsContact O-N 3.1Å; A26-I68 HydrophobicContact CB-CG2 3.71Å; A26-T72 WeakPolarHBondContact CB-OG1 3.4Å; A26-K353 HydrophobicContact CB-CD 3.89Å; A26-K353 HydrophobicContact CB-CG 4.24Å
27V98.8Very high98.2Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-65.3-43.7172.11720000110.6I23 D25 A30 I31 C42 I57 I65 I68I23-V27 WeakPolarHBondContact O-CG2 3.44Å; I23-V27 PolarHBondContact O-N 2.81Å; D25-V27 VanDerWaalsContact C-N 3.32Å; V27-A30 PolarHBondContact O-N 3.36Å; V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 WeakPolarHBondContact O-CD1 3.41Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.44Å; V27-I31 PolarHBondContact O-N 2.64Å; V27-I31 VanDerWaalsContact O-N 3.13Å; V27-C42 HydrophobicContact CG1-CB 4.38Å; V27-I57 HydrophobicContact CG1-CD1 4.07Å; V27-I65 HydrophobicContact CB-CD1 4.49Å; V27-I65 HydrophobicContact CG1-CD1 3.74Å; V27-I65 HydrophobicContact CG2-CD1 3.9Å; V27-I68 HydrophobicContact CG2-CG2 4.01Å
28L98.8Very high98Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-58.6-51.7175.7173.866.7000112S24 D25 A30 I31 L32 V40 K266 D267 Y352S24-L28 PolarHBondContact O-N 3.13Å; S24-L28 VanDerWaalsContact O-N 3.16Å; D25-L28 WeakPolarHBondContact O-CB 3.18Å; D25-L28 PolarHBondContact O-N 2.59Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 2.92Å; L28-I31 PolarHBondContact O-N 3.21Å; L28-I31 VanDerWaalsContact O-N 3.15Å; L28-L32 HydrophobicContact CD1-CD1 3.75Å; L28-L32 HydrophobicContact CD1-CD2 4.41Å; L28-L32 HydrophobicContact CD1-CG 3.83Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.84Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.17Å; L28-V40 HydrophobicContact CB-CG1 4.36Å; L28-V40 HydrophobicContact CD1-CB 3.67Å; L28-V40 HydrophobicContact CD1-CG1 3.97Å; L28-V40 HydrophobicContact CD1-CG2 3.75Å; L28-K266 WeakPolarHBondContact CD2-O 3.48Å; L28-D267 HydrophobicContact CD1-CB 4.04Å; L28-Y352 HydrophobicContact CD2-CD1 4.5Å; L28-Y352 HydrophobicContact CD2-CD2 3.56Å; L28-Y352 HydrophobicContact CD2-CE2 4.23Å; L28-Y352 HydrophobicContact CD2-CG 3.72Å; L28-Y352 HydrophobicContact CG-CD2 4.1Å
29D98.8Very high97.8Very high22 Ų2229.2 Ų29.212%0.11815%0.146CC..Hα-helixtrans-59.7-45.9-178.9-79.5-9.9000111.1D25 I31 L32 E33 P350 I351 Y352 K353D25-D29 WeakPolarHBondContact O-CB 3.37Å; D25-D29 PolarHBondContact O-N 3.35Å; D29-I31 PolarHBondContact O-N 3.04Å; D29-L32 PolarHBondContact O-N 3.03Å; D29-E33 WeakPolarHBondContact O-CB 3.39Å; D29-E33 PolarHBondContact O-N 2.93Å; D29-P350 HydrophobicContact CB-CB 3.73Å; D29-P350 WeakPolarHBondContact O-CB 3.47Å; D29-P350 VanDerWaalsContact OD1-C 3.25Å; D29-P350 VanDerWaalsContact OD1-CA 3.26Å; D29-P350 WeakPolarHBondContact OD1-CA 3.42Å; D29-I351 PolarHBondContact OD1-N 3.01Å; D29-Y352 WeakPolarHBondContact OD1-CB 3.43Å; D29-Y352 WeakPolarHBondContact OD1-CD2 3.26Å; D29-Y352 PolarHBondContact OD1-N 3.23Å; D29-Y352 PolarHBondContact OD2-N 3.37Å; D29-K353 WeakPolarHBondContact OD2-CB 3.38Å; D29-K353 PolarHBondContact OD2-N 3.41Å
30A98.6Very high97.7Very high28 Ų2829.2 Ų29.223%0.23115%0.146CC..Hα-helixtrans-60.8-32.1178.300000113.2A26 V27 L28 V63 I68A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 3.11Å; A26-A30 VanDerWaalsContact O-N 3.1Å; V27-A30 PolarHBondContact O-N 3.36Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 2.92Å; A30-V63 HydrophobicContact CB-CG1 3.83Å; A30-I68 HydrophobicContact CB-CD1 3.47Å; A30-I68 VanDerWaalsContact CB-CD1 3.47Å; A30-I68 HydrophobicContact CB-CG1 4.36Å
31I98.6Very high97.7Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-74.7-47.7175-70.9167.9000110.6V27 L28 D29 E33 Q34 D35 A38 V40 I57 T59 A61 V63V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 WeakPolarHBondContact O-CD1 3.41Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.44Å; V27-I31 PolarHBondContact O-N 2.64Å; V27-I31 VanDerWaalsContact O-N 3.13Å; L28-I31 PolarHBondContact O-N 3.21Å; L28-I31 VanDerWaalsContact O-N 3.15Å; D29-I31 PolarHBondContact O-N 3.04Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.39Å; I31-Q34 PolarHBondContact O-N 3.07Å; I31-Q34 VanDerWaalsContact O-N 3.09Å; I31-D35 PolarHBondContact O-N 3.23Å; I31-A38 HydrophobicContact CG2-CB 3.23Å; I31-V40 HydrophobicContact CB-CG2 4.37Å; I31-V40 HydrophobicContact CD1-CG1 4.43Å; I31-V40 HydrophobicContact CD1-CG2 3.97Å; I31-V40 HydrophobicContact CG2-CG2 3.89Å; I31-I57 HydrophobicContact CD1-CD1 3.83Å; I31-I57 HydrophobicContact CD1-CG1 4.48Å; I31-I57 HydrophobicContact CD1-CG2 3.8Å; I31-T59 HydrophobicContact CG2-CG2 4.1Å; I31-T59 WeakPolarHBondContact CG2-OG1 3.34Å; I31-A61 HydrophobicContact CG2-CB 4.27Å; I31-V63 HydrophobicContact CD1-CG2 4.32Å; I31-V63 HydrophobicContact CG1-CG1 3.96Å; I31-V63 HydrophobicContact CG1-CG2 3.88Å
32L98.3Very high97.7Very high2 Ų230.1 Ų30.11%0.0115%0.154CC..Hα-helixtrans-65.7-30.7-177.3-71.4-179.6000113.2L28 D29 Q34 Y352L28-L32 HydrophobicContact CD1-CD1 3.75Å; L28-L32 HydrophobicContact CD1-CD2 4.41Å; L28-L32 HydrophobicContact CD1-CG 3.83Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.84Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.17Å; D29-L32 PolarHBondContact O-N 3.03Å; L32-Q34 PolarHBondContact O-N 2.97Å; L32-Y352 HydrophobicContact CD1-CD2 3.78Å; L32-Y352 HydrophobicContact CD1-CE2 3.44Å; L32-Y352 VanDerWaalsContact CD1-CE2 3.44Å
33E98.2Very high97.7Very high141 Ų14133.2 Ų33.266%0.65917%0.168SC*.THydrogen-bonded Turntrans-57.3-34.4172.3-177.667.4-143.300111.9D29 I31 P350D29-E33 WeakPolarHBondContact O-CB 3.39Å; D29-E33 PolarHBondContact O-N 2.93Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.39Å; E33-P350 HydrophobicContact CB-CB 4.49Å; E33-P350 HydrophobicContact CB-CG 4.2Å; E33-P350 WeakPolarHBondContact OE2-CG 3.28Å
34Q98.1Very high97.7Very high106 Ų10633.5 Ų33.550%0.49517%0.17SC..THydrogen-bonded Turntrans-98-34-178.8-65.3178.853.300113.1I31 L32 A61 W62I31-Q34 PolarHBondContact O-N 3.07Å; I31-Q34 VanDerWaalsContact O-N 3.09Å; L32-Q34 PolarHBondContact O-N 2.97Å; Q34-A61 HydrophobicContact CB-CB 3.62Å; Q34-A61 HydrophobicContact CG-CB 4.38Å; Q34-W62 PolarHBondContact NE2-O 3.28Å; Q34-W62 PolarHBondContact OE1-O 3.23Å
35D97.7Very high97.7Very high24 Ų2437.2 Ų37.213%0.12818%0.184CC..  trans-140.288-175.4-176.93.2000110.6I31 K37 A38 T59 S60 A61I31-D35 PolarHBondContact O-N 3.23Å; D35-K37 PolarHBondContact O-N 3.3Å; D35-K37 PolarHBondContact OD1-N 2.89Å; D35-K37 VanDerWaalsContact OD1-N 3.16Å; D35-A38 HydrophobicContact CB-CB 4.15Å; D35-A38 WeakPolarHBondContact O-CB 3.46Å; D35-A38 PolarHBondContact O-N 3.5Å; D35-A38 PolarHBondContact OD1-N 3.14Å; D35-T59 VanDerWaalsContact CB-OG1 3.3Å; D35-T59 WeakPolarHBondContact CB-OG1 3.36Å; D35-T59 WeakPolarHBondContact OD2-CA 3.38Å; D35-T59 PolarHBondContact OD2-OG1 3.48Å; D35-S60 VanDerWaalsContact CG-OG 3.31Å; D35-S60 PolarHBondContact OD2-N 3.5Å; D35-S60 PolarHBondContact OD2-OG 2.94Å; D35-A61 HydrophobicContact CB-CB 4.22Å
36P96.6Very high97.6Very high60 Ų6037.2 Ų37.239%0.3918%0.184SC..THydrogen-bonded Turntrans-60.8-12.7178.9-26.335.1000114.6L348P36-L348 HydrophobicContact CB-CB 4.12Å; P36-L348 WeakPolarHBondContact O-CD2 3.3Å
37K92.1Very high97.6Very high176 Ų17639.3 Ų39.377%0.76519%0.192SC*.THydrogen-bonded Turntrans-1024.3178.9-63.9-174.9179.9-178.20112.8D35D35-K37 PolarHBondContact O-N 3.3Å; D35-K37 PolarHBondContact OD1-N 2.89Å; D35-K37 VanDerWaalsContact OD1-N 3.16Å
38A94.7Very high97.4Very high3 Ų343 Ų433%0.02522%0.215CC..  trans-56.8148.7179.100000112I31 D35 V40 T58 T59I31-A38 HydrophobicContact CG2-CB 3.23Å; D35-A38 HydrophobicContact CB-CB 4.15Å; D35-A38 WeakPolarHBondContact O-CB 3.46Å; D35-A38 PolarHBondContact O-N 3.5Å; D35-A38 PolarHBondContact OD1-N 3.14Å; A38-V40 HydrophobicContact CB-CG2 4.21Å; A38-T58 WeakPolarHBondContact CA-O 3.41Å; A38-T59 WeakPolarHBondContact CB-OG1 3.36Å
39R94.4Very high97.2Very high24 Ų2444.9 Ų44.99%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-107.5122.4170.1-58.6-62.8-17776.4-9.2109.1I57 T58 D108 D267 S269R39-I57 CarbonylContact O-C 3.58Å; R39-I57 WeakPolarHBondContact O-CA 3.18Å; R39-T58 PolarHBondContact N-O 3.45Å; R39-T58 PolarHBondContact O-N 3.22Å; R39-D108 IonicContact CZ-OD1 3.39Å; R39-D108 IonicContact NH1-OD1 3.62Å; R39-D108 IonicContact NH1-OD2 3.86Å; R39-D108 IonicContact NH2-OD1 2.61Å; R39-D108 PolarHBondContact NH2-OD1 3.2Å; R39-D267 VanDerWaalsContact CA-OD2 3.26Å; R39-D267 WeakPolarHBondContact CA-OD2 3.36Å; R39-S269 WeakPolarHBondContact CD-OG 3.44Å
40V96.9Very high97.2Very high0 Ų046.4 Ų46.40%024%0.241CC..EExtended strand (participates in β ladder)trans-134.1127.1-172.5-174.30000108.6L28 I31 A38 C42 I57 G265 K266 D267L28-V40 HydrophobicContact CB-CG1 4.36Å; L28-V40 HydrophobicContact CD1-CB 3.67Å; L28-V40 HydrophobicContact CD1-CG1 3.97Å; L28-V40 HydrophobicContact CD1-CG2 3.75Å; I31-V40 HydrophobicContact CB-CG2 4.37Å; I31-V40 HydrophobicContact CD1-CG1 4.43Å; I31-V40 HydrophobicContact CD1-CG2 3.97Å; I31-V40 HydrophobicContact CG2-CG2 3.89Å; A38-V40 HydrophobicContact CB-CG2 4.21Å; V40-C42 HydrophobicContact CG1-CB 3.86Å; V40-I57 HydrophobicContact CG1-CD1 4.27Å; V40-I57 HydrophobicContact CG1-CG1 4.09Å; V40-G265 CarbonylContact C-O 3.57Å; V40-G265 WeakPolarHBondContact CG1-O 3.22Å; V40-K266 WeakPolarHBondContact O-CA 3.43Å; V40-D267 HydrophobicContact CB-CB 4.26Å; V40-D267 PolarHBondContact N-OD2 3.34Å; V40-D267 PolarHBondContact O-N 3.1Å
41A97.8Very high97.2Very high19 Ų1945.1 Ų45.116%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-133.479.9164.400000106.8G55 E56 G265A41-G55 CarbonylContact O-C 3.5Å; A41-G55 VanDerWaalsContact O-CA 3.28Å; A41-G55 WeakPolarHBondContact O-CA 3.47Å; A41-E56 PolarHBondContact N-O 2.76Å; A41-E56 PolarHBondContact O-N 2.97Å; A41-G265 CarbonylContact C-O 3.48Å; A41-G265 VanDerWaalsContact CA-O 3.3Å; A41-G265 WeakPolarHBondContact CA-O 3.46Å
42C98.6Very high97.2Very high0 Ų047.9 Ų47.90%025%0.245CC..EExtended strand (participates in β ladder)trans-97.6115.9-173.3-176.80000111S24 V27 V40 V53 I57 G265S24-C42 VanDerWaalsContact CB-O 3.29Å; S24-C42 WeakPolarHBondContact CB-O 3.42Å; S24-C42 PolarHBondContact OG-O 3.19Å; V27-C42 HydrophobicContact CG1-CB 4.38Å; V40-C42 HydrophobicContact CG1-CB 3.86Å; C42-V53 VanDerWaalsContact SG-CG1 3.54Å; C42-I57 HydrophobicContact CB-CD1 4.39Å; C42-G265 PolarHBondContact N-O 3.16Å; C42-G265 WeakPolarHBondContact O-CA 3.44Å
43E98.8Very high97.2Very high84 Ų8447.8 Ų47.839%0.39324%0.244SC..EExtended strand (participates in β ladder)trans-107.7138.5179.7-59.3-65.1174.800110.1G54 T243E43-G54 PolarHBondContact N-O 2.98Å; E43-G54 PolarHBondContact O-N 2.87Å; E43-T243 VanDerWaalsContact OE2-CB 3.31Å; E43-T243 WeakPolarHBondContact OE2-CB 3.34Å; E43-T243 WeakPolarHBondContact OE2-CG2 3.16Å
44T98.9Very high97.2Very high5 Ų541.6 Ų41.63%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-123.2133.4-179.6-54.90000110.3A20 I23 S24 V46 V51 L52 V53 L242 T243A20-T44 HydrophobicContact CB-CG2 4.16Å; A20-T44 WeakPolarHBondContact CB-O 3.47Å; A20-T44 WeakPolarHBondContact O-CB 3.47Å; I23-T44 HydrophobicContact CB-CG2 4.03Å; I23-T44 HydrophobicContact CD1-CG2 4.07Å; I23-T44 HydrophobicContact CG2-CG2 3.92Å; S24-T44 PolarHBondContact OG-N 2.7Å; S24-T44 PolarHBondContact OG-OG1 2.93Å; T44-V46 HydrophobicContact CG2-CG2 3.81Å; T44-V51 HydrophobicContact CG2-CG1 3.67Å; T44-L52 WeakPolarHBondContact CA-O 3.47Å; T44-V53 HydrophobicContact CG2-CG2 4.44Å; T44-L242 WeakPolarHBondContact O-CA 3.48Å; T44-T243 WeakPolarHBondContact CB-OG1 3.32Å; T44-T243 PolarHBondContact N-OG1 3.05Å; T44-T243 PolarHBondContact O-N 3.22Å; T44-T243 PolarHBondContact O-OG1 2.83Å
45Y98.7Very high97.1Very high78 Ų7837.2 Ų37.231%0.30620%0.202SC..EExtended strand (participates in β ladder)trans-114.7132169.6172.7-79.3000109K47 M50 V51 L52 C240 L242Y45-K47 HydrophobicContact CE1-CB 3.65Å; Y45-M50 HydrophobicContact CD1-CE 3.82Å; Y45-M50 HydrophobicContact CE1-CE 3.63Å; Y45-V51 CarbonylContact O-C 3.51Å; Y45-V51 WeakPolarHBondContact O-CA 3.47Å; Y45-L52 HydrophobicContact CD1-CB 4.45Å; Y45-L52 PolarHBondContact N-O 2.69Å; Y45-L52 PolarHBondContact O-N 3.16Å; Y45-C240 WeakPolarHBondContact CE2-SG 3.25Å; Y45-C240 PolarHBondContact OH-SG 2.76Å; Y45-L242 HydrophobicContact CD2-CD1 4.48Å; Y45-L242 HydrophobicContact CD2-CD2 4.03Å; Y45-L242 HydrophobicContact CD2-CG 3.94Å
46V98.3Very high97.1Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-128.9128.9-177.8-166.30000110I19 A20 I23 T44 V51 F85 P236 G241I19-V46 HydrophobicContact CG2-CG1 4.4Å; I19-V46 HydrophobicContact CG2-CG2 4.24Å; A20-V46 HydrophobicContact CB-CG2 3.92Å; I23-V46 HydrophobicContact CD1-CG2 4.38Å; T44-V46 HydrophobicContact CG2-CG2 3.81Å; V46-V51 HydrophobicContact CG1-CG2 4.32Å; V46-V51 HydrophobicContact CG2-CG1 4.42Å; V46-F85 HydrophobicContact CG1-CE1 4.19Å; V46-F85 HydrophobicContact CG1-CE2 4.37Å; V46-F85 HydrophobicContact CG1-CZ 3.81Å; V46-P236 HydrophobicContact CB-CG 4.47Å; V46-P236 HydrophobicContact CG1-CB 3.76Å; V46-P236 HydrophobicContact CG1-CG 3.36Å; V46-G241 PolarHBondContact N-O 2.91Å; V46-G241 PolarHBondContact O-N 3.44Å
47K97.5Very high97Very high53 Ų5338.6 Ų38.623%0.2320%0.203CC..EExtended strand (participates in β ladder)trans-150.2176.4172.3-169.354.3-161.91520111Y45 G49 M50 F85 P236 M237 G238 D239 C240Y45-K47 HydrophobicContact CE1-CB 3.65Å; K47-G49 PolarHBondContact O-N 3.29Å; K47-M50 PolarHBondContact N-O 3.48Å; K47-M50 PolarHBondContact O-N 3.29Å; K47-F85 VanDerWaalsContact O-CE2 3.3Å; K47-F85 WeakPolarHBondContact O-CE2 3.39Å; K47-P236 WeakPolarHBondContact CD-O 3.46Å; K47-P236 PolarHBondContact NZ-O 3.1Å; K47-M237 PolarHBondContact NZ-O 3.48Å; K47-M237 VanDerWaalsContact NZ-O 3.11Å; K47-G238 PolarHBondContact NZ-O 3.21Å; K47-D239 PolarHBondContact NZ-O 2.96Å; K47-C240 HydrophobicContact CD-CB 3.98Å
48T94.6Very high97.2Very high77 Ų7732.8 Ų32.847%0.47218%0.182SC..THydrogen-bonded Turntrans-40.9111.2178-45.80000112.4M50 P236 M237T48-M50 VanDerWaalsContact C-N 3.3Å; T48-M50 PolarHBondContact O-N 3.37Å; T48-P236 PolarHBondContact N-O 3.36Å; T48-P236 VanDerWaalsContact N-O 3.09Å; T48-P236 PolarHBondContact OG1-O 3.3Å; T48-M237 HydrophobicContact CG2-CG 4.45Å
49G95.3Very high97.3Very high40 Ų4035 Ų3541%0.41220%0.195SC..THydrogen-bonded Turntrans74.17.1176.200000116.2K47 A91K47-G49 PolarHBondContact O-N 3.29Å; G49-A91 PolarHBondContact O-N 3.09Å
50M97.8Very high97.3Very high54 Ų5438.7 Ų38.727%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-148.2139.5-174.4-173.2-175.575.400113.8Y45 K47 T48 A91 L93Y45-M50 HydrophobicContact CD1-CE 3.82Å; Y45-M50 HydrophobicContact CE1-CE 3.63Å; K47-M50 PolarHBondContact N-O 3.48Å; K47-M50 PolarHBondContact O-N 3.29Å; T48-M50 VanDerWaalsContact C-N 3.3Å; T48-M50 PolarHBondContact O-N 3.37Å; M50-A91 CarbonylContact C-O 3.53Å; M50-A91 WeakPolarHBondContact CA-O 3.33Å; M50-A91 HydrophobicContact CG-CB 4.47Å; M50-L93 HydrophobicContact CG-CD1 4.02Å; M50-L93 HydrophobicContact CG-CG 4.35Å; M50-L93 HydrophobicContact SD-CD1 3.45Å; M50-L93 WeakPolarHBondContact SD-CD1 3.15Å; M50-L93 HydrophobicContact SD-CG 4.39Å
51V98.7Very high97.3Very high0 Ų039.5 Ų39.50%023%0.232CC..EExtended strand (participates in β ladder)trans-115.6130.8159.8-174.90000108.2I23 T44 Y45 V46 V53 T69 F85 A91 V92 L93I23-V51 HydrophobicContact CD1-CG1 3.98Å; I23-V51 HydrophobicContact CD1-CG2 4.39Å; T44-V51 HydrophobicContact CG2-CG1 3.67Å; Y45-V51 CarbonylContact O-C 3.51Å; Y45-V51 WeakPolarHBondContact O-CA 3.47Å; V46-V51 HydrophobicContact CG1-CG2 4.32Å; V46-V51 HydrophobicContact CG2-CG1 4.42Å; V51-V53 HydrophobicContact CG1-CG2 3.94Å; V51-T69 HydrophobicContact CB-CG2 3.84Å; V51-T69 HydrophobicContact CG1-CG2 3.7Å; V51-T69 HydrophobicContact CG2-CG2 3.8Å; V51-F85 HydrophobicContact CG2-CE1 4.35Å; V51-F85 HydrophobicContact CG2-CZ 3.78Å; V51-A91 PolarHBondContact N-O 2.82Å; V51-V92 CarbonylContact O-C 3.59Å; V51-V92 WeakPolarHBondContact O-CA 3.49Å; V51-L93 PolarHBondContact O-N 3.24Å
52L98.7Very high97.2Very high60 Ų6047.7 Ų47.731%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-114.3116.5169.2169.666.5000108.4T44 Y45 L93 A95T44-L52 WeakPolarHBondContact CA-O 3.47Å; Y45-L52 HydrophobicContact CD1-CB 4.45Å; Y45-L52 PolarHBondContact N-O 2.69Å; Y45-L52 PolarHBondContact O-N 3.16Å; L52-L93 CarbonylContact C-O 3.51Å; L52-L93 WeakPolarHBondContact CA-O 3.43Å; L52-L93 HydrophobicContact CB-CB 4.45Å; L52-L93 HydrophobicContact CD1-CB 3.7Å; L52-A95 HydrophobicContact CD1-CB 3.99Å
53V98.7Very high97.1Very high0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-103.7127.1175.4-174.30000108.3I23 C42 T44 V51 I65 L93 S94 A95 I96I23-V53 HydrophobicContact CG2-CG2 4.05Å; C42-V53 VanDerWaalsContact SG-CG1 3.54Å; T44-V53 HydrophobicContact CG2-CG2 4.44Å; V51-V53 HydrophobicContact CG1-CG2 3.94Å; V53-I65 HydrophobicContact CB-CG2 3.9Å; V53-I65 HydrophobicContact CG1-CG2 3.98Å; V53-I65 HydrophobicContact CG2-CG2 3.96Å; V53-L93 PolarHBondContact N-O 2.84Å; V53-S94 CarbonylContact O-C 3.56Å; V53-S94 WeakPolarHBondContact O-CA 3.34Å; V53-A95 PolarHBondContact O-N 3.2Å; V53-I96 HydrophobicContact CG1-CD1 4.07Å; V53-I96 HydrophobicContact CG1-CG1 4.42Å
54G98Very high97.1Very high10 Ų1047.9 Ų47.910%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-145.4-163.7-178.100000112.9E43E43-G54 PolarHBondContact N-O 2.98Å; E43-G54 PolarHBondContact O-N 2.87Å
55G96.7Very high97Very high15 Ų1548.7 Ų48.716%0.15527%0.267CS..EExtended strand (participates in β ladder)trans100.5-157.6-179.700000113A41 G97A41-G55 CarbonylContact O-C 3.5Å; A41-G55 VanDerWaalsContact O-CA 3.28Å; A41-G55 WeakPolarHBondContact O-CA 3.47Å; G55-G97 PolarHBondContact O-N 3.16Å
56E96.4Very high97Very high94 Ų9449.3 Ų49.344%0.43927%0.273SS..EExtended strand (participates in β ladder)trans-121.2122.4-170.9-61.875.5-142.100112.4A41 G97 Q99A41-E56 PolarHBondContact N-O 2.76Å; A41-E56 PolarHBondContact O-N 2.97Å; E56-G97 WeakPolarHBondContact CA-O 3.3Å; E56-Q99 HydrophobicContact CB-CB 4.31Å
57I96.3Very high97Very high19 Ų1954.7 Ų54.710%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-128.9128.2-179.8-63.9175000110.2V27 I31 R39 V40 C42 T59 I96 G97V27-I57 HydrophobicContact CG1-CD1 4.07Å; I31-I57 HydrophobicContact CD1-CD1 3.83Å; I31-I57 HydrophobicContact CD1-CG1 4.48Å; I31-I57 HydrophobicContact CD1-CG2 3.8Å; R39-I57 CarbonylContact O-C 3.58Å; R39-I57 WeakPolarHBondContact O-CA 3.18Å; V40-I57 HydrophobicContact CG1-CD1 4.27Å; V40-I57 HydrophobicContact CG1-CG1 4.09Å; C42-I57 HydrophobicContact CB-CD1 4.39Å; I57-T59 HydrophobicContact CG2-CG2 3.68Å; I57-I96 HydrophobicContact CB-CG2 3.88Å; I57-I96 HydrophobicContact CD1-CD1 4.02Å; I57-I96 HydrophobicContact CD1-CG1 4.33Å; I57-I96 HydrophobicContact CD1-CG2 3.86Å; I57-I96 HydrophobicContact CG1-CG2 3.98Å; I57-G97 PolarHBondContact N-O 3.37Å
58T95.2Very high97Very high54 Ų5453.5 Ų53.533%0.33129%0.294SS..EExtended strand (participates in β ladder)trans-123.6109.7170-55.20000108.4A38 R39 Q99A38-T58 WeakPolarHBondContact CA-O 3.41Å; R39-T58 PolarHBondContact N-O 3.45Å; R39-T58 PolarHBondContact O-N 3.22Å; T58-Q99 WeakPolarHBondContact OG1-CB 3.37Å; T58-Q99 PolarHBondContact OG1-N 2.94Å
59T96.1Very high97.2Very high48 Ų4849.9 Ų49.929%0.29427%0.271SS..  trans-155.5159.4-177.3-1750000110.7I31 D35 A38 I57 A61I31-T59 HydrophobicContact CG2-CG2 4.1Å; I31-T59 WeakPolarHBondContact CG2-OG1 3.34Å; D35-T59 VanDerWaalsContact CB-OG1 3.3Å; D35-T59 WeakPolarHBondContact CB-OG1 3.36Å; D35-T59 WeakPolarHBondContact OD2-CA 3.38Å; D35-T59 PolarHBondContact OD2-OG1 3.48Å; A38-T59 WeakPolarHBondContact CB-OG1 3.36Å; I57-T59 HydrophobicContact CG2-CG2 3.68Å; T59-A61 HydrophobicContact CG2-CB 4.02Å; T59-A61 VanDerWaalsContact OG1-CB 3.29Å; T59-A61 WeakPolarHBondContact OG1-CB 3.42Å; T59-A61 PolarHBondContact OG1-N 2.87Å
60S95.1Very high97.4Very high102 Ų10250.1 Ų50.171%0.71326%0.26SS*.SBendtrans-87.5-11.9164.158.20000113.7D35D35-S60 VanDerWaalsContact CG-OG 3.31Å; D35-S60 PolarHBondContact OD2-N 3.5Å; D35-S60 PolarHBondContact OD2-OG 2.94Å
61A97Very high97.4Very high18 Ų1850.2 Ų50.215%0.14926%0.261CS..  trans-66.4149.4178.100000112.2I31 Q34 D35 T59I31-A61 HydrophobicContact CG2-CB 4.27Å; Q34-A61 HydrophobicContact CB-CB 3.62Å; Q34-A61 HydrophobicContact CG-CB 4.38Å; D35-A61 HydrophobicContact CB-CB 4.22Å; T59-A61 HydrophobicContact CG2-CB 4.02Å; T59-A61 VanDerWaalsContact OG1-CB 3.29Å; T59-A61 WeakPolarHBondContact OG1-CB 3.42Å; T59-A61 PolarHBondContact OG1-N 2.87Å
62W96.6Very high97.4Very high190 Ų19050.3 Ų50.372%0.7226%0.262SS*.  trans-113.5125.5163.9-176.990.9000108.6Q34 D64Q34-W62 PolarHBondContact NE2-O 3.28Å; Q34-W62 PolarHBondContact OE1-O 3.23Å; W62-D64 HydrophobicContact CH2-CB 3.96Å; W62-D64 HydrophobicContact CZ3-CB 4.25Å
63V96.6Very high97.4Very high29 Ų2947.4 Ų47.418%0.17625%0.247CC..  trans-132.9139.3-179-67.20000110.1A30 I31 I65 I68A30-V63 HydrophobicContact CB-CG1 3.83Å; I31-V63 HydrophobicContact CD1-CG2 4.32Å; I31-V63 HydrophobicContact CG1-CG1 3.96Å; I31-V63 HydrophobicContact CG1-CG2 3.88Å; V63-I65 HydrophobicContact CG2-CD1 3.84Å; V63-I65 PolarHBondContact O-N 2.8Å; V63-I68 HydrophobicContact CB-CD1 3.8Å; V63-I68 HydrophobicContact CG1-CD1 4.39Å; V63-I68 HydrophobicContact CG2-CD1 4.47Å
64D97.5Very high97.4Very high60 Ų6051.8 Ų51.832%0.32126%0.263SS..  trans-85.497.9174-169.8-31.8000109.6W62 E66 E67 I68W62-D64 HydrophobicContact CH2-CB 3.96Å; W62-D64 HydrophobicContact CZ3-CB 4.25Å; D64-E66 VanDerWaalsContact C-N 3.26Å; D64-E66 PolarHBondContact O-N 2.88Å; D64-E66 WeakPolarHBondContact OD1-CB 3.49Å; D64-E66 PolarHBondContact OD1-N 3.49Å; D64-E67 HydrophobicContact CB-CB 3.86Å; D64-E67 PolarHBondContact O-N 2.86Å; D64-E67 PolarHBondContact OD1-N 3.31Å; D64-I68 WeakPolarHBondContact O-CB 3.42Å; D64-I68 WeakPolarHBondContact O-CD1 3.38Å; D64-I68 VanDerWaalsContact O-CG1 3.23Å; D64-I68 WeakPolarHBondContact O-CG1 3.48Å; D64-I68 PolarHBondContact O-N 3.17Å
65I97.9Very high97.4Very high21 Ų2156.6 Ų56.611%0.10828%0.283CS..Hα-helixtrans-61.7-35.5-178.7-59.4-63.1000111.7V27 V53 V63 T69 I96V27-I65 HydrophobicContact CB-CD1 4.49Å; V27-I65 HydrophobicContact CG1-CD1 3.74Å; V27-I65 HydrophobicContact CG2-CD1 3.9Å; V53-I65 HydrophobicContact CB-CG2 3.9Å; V53-I65 HydrophobicContact CG1-CG2 3.98Å; V53-I65 HydrophobicContact CG2-CG2 3.96Å; V63-I65 HydrophobicContact CG2-CD1 3.84Å; V63-I65 PolarHBondContact O-N 2.8Å; I65-T69 WeakPolarHBondContact O-CB 3.47Å; I65-T69 PolarHBondContact O-N 3.38Å; I65-T69 PolarHBondContact O-OG1 2.63Å; I65-I96 HydrophobicContact CD1-CD1 3.72Å; I65-I96 HydrophobicContact CG1-CD1 3.79Å; I65-I96 HydrophobicContact CG2-CD1 4.45Å
66E98.1Very high97.5Very high92 Ų9256 Ų5643%0.4328%0.276SS..Hα-helixtrans-67.6-49.8178.9178.8170.4177.500110.1D64 T69 R70 V92D64-E66 VanDerWaalsContact C-N 3.26Å; D64-E66 PolarHBondContact O-N 2.88Å; D64-E66 WeakPolarHBondContact OD1-CB 3.49Å; D64-E66 PolarHBondContact OD1-N 3.49Å; E66-T69 PolarHBondContact O-N 2.79Å; E66-R70 HydrophobicContact CG-CG 4.42Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 VanDerWaalsContact O-CG 3.28Å; E66-R70 WeakPolarHBondContact O-CG 3.31Å; E66-R70 PolarHBondContact O-N 3.03Å; E66-R70 IonicContact OE1-CZ 3.22Å; E66-R70 VanDerWaalsContact OE1-CZ 3.23Å; E66-R70 IonicContact OE1-NE 3.71Å; E66-R70 PolarHBondContact OE1-NE 3.42Å; E66-R70 IonicContact OE1-NH2 3.58Å; E66-R70 PolarHBondContact OE1-NH2 3Å; E66-V92 HydrophobicContact CB-CB 4.49Å; E66-V92 HydrophobicContact CG-CB 4.17Å; E66-V92 HydrophobicContact CG-CG2 4.26Å
67E98.1Very high97.6Very high113 Ų11352.2 Ų52.253%0.52826%0.263SS..Hα-helixtrans-61.1-47.6179.1-174.5174.2-169.900111.9D64 T69 R70 N71D64-E67 HydrophobicContact CB-CB 3.86Å; D64-E67 PolarHBondContact O-N 2.86Å; D64-E67 PolarHBondContact OD1-N 3.31Å; E67-T69 VanDerWaalsContact C-N 3.32Å; E67-T69 PolarHBondContact O-N 2.91Å; E67-R70 PolarHBondContact O-N 2.92Å; E67-N71 WeakPolarHBondContact CG-ND2 3.31Å; E67-N71 WeakPolarHBondContact O-CB 3.4Å; E67-N71 PolarHBondContact O-N 3.41Å; E67-N71 PolarHBondContact O-ND2 2.89Å
68I98.6Very high97.6Very high28 Ų2851.3 Ų51.314%0.14426%0.258CS..Hα-helixtrans-58.4-45.2178.1-70164.7000111A26 V27 A30 V63 D64 T72A26-I68 HydrophobicContact CB-CG2 3.71Å; V27-I68 HydrophobicContact CG2-CG2 4.01Å; A30-I68 HydrophobicContact CB-CD1 3.47Å; A30-I68 VanDerWaalsContact CB-CD1 3.47Å; A30-I68 HydrophobicContact CB-CG1 4.36Å; V63-I68 HydrophobicContact CB-CD1 3.8Å; V63-I68 HydrophobicContact CG1-CD1 4.39Å; V63-I68 HydrophobicContact CG2-CD1 4.47Å; D64-I68 WeakPolarHBondContact O-CB 3.42Å; D64-I68 WeakPolarHBondContact O-CD1 3.38Å; D64-I68 VanDerWaalsContact O-CG1 3.23Å; D64-I68 WeakPolarHBondContact O-CG1 3.48Å; D64-I68 PolarHBondContact O-N 3.17Å; I68-T72 WeakPolarHBondContact O-CB 3.39Å; I68-T72 PolarHBondContact O-N 3.42Å; I68-T72 PolarHBondContact O-OG1 3.15Å
69T98.7Very high97.7Very high0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-60.7-52.2178.4-64.80000110.6I23 V51 I65 E66 E67 N71 T72 V73 V92I23-T69 HydrophobicContact CD1-CG2 4.09Å; I23-T69 HydrophobicContact CG2-CG2 4.45Å; V51-T69 HydrophobicContact CB-CG2 3.84Å; V51-T69 HydrophobicContact CG1-CG2 3.7Å; V51-T69 HydrophobicContact CG2-CG2 3.8Å; I65-T69 WeakPolarHBondContact O-CB 3.47Å; I65-T69 PolarHBondContact O-N 3.38Å; I65-T69 PolarHBondContact O-OG1 2.63Å; E66-T69 PolarHBondContact O-N 2.79Å; E67-T69 VanDerWaalsContact C-N 3.32Å; E67-T69 PolarHBondContact O-N 2.91Å; T69-N71 PolarHBondContact O-N 3.25Å; T69-T72 PolarHBondContact O-N 3.03Å; T69-V73 VanDerWaalsContact O-CG2 3.31Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.48Å; T69-V92 HydrophobicContact CG2-CG1 3.98Å; T69-V92 HydrophobicContact CG2-CG2 3.77Å
70R98.5Very high97.6Very high45 Ų4554.3 Ų54.317%0.1727%0.27CS..Hα-helixtrans-63.1-41.9-178.5-68.3-176.8-175.9-64.7-3111.9E66 E67 V73 R74 A87 C90 V92E66-R70 HydrophobicContact CG-CG 4.42Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 VanDerWaalsContact O-CG 3.28Å; E66-R70 WeakPolarHBondContact O-CG 3.31Å; E66-R70 PolarHBondContact O-N 3.03Å; E66-R70 IonicContact OE1-CZ 3.22Å; E66-R70 VanDerWaalsContact OE1-CZ 3.23Å; E66-R70 IonicContact OE1-NE 3.71Å; E66-R70 PolarHBondContact OE1-NE 3.42Å; E66-R70 IonicContact OE1-NH2 3.58Å; E66-R70 PolarHBondContact OE1-NH2 3Å; E67-R70 PolarHBondContact O-N 2.92Å; R70-V73 PolarHBondContact O-N 2.99Å; R70-R74 WeakPolarHBondContact O-CB 3.23Å; R70-R74 PolarHBondContact O-N 2.68Å; R70-A87 WeakPolarHBondContact CG-O 3.18Å; R70-A87 PolarHBondContact NH1-O 2.97Å; R70-A87 WeakPolarHBondContact O-CB 3.22Å; R70-C90 PolarHBondContact NH1-O 2.99Å; R70-C90 PolarHBondContact NH2-O 2.99Å; R70-C90 VanDerWaalsContact NH2-O 3.09Å; R70-V92 HydrophobicContact CG-CG2 4.22Å
71N98.6Very high97.5Very high56 Ų5652.4 Ų52.430%0.29926%0.256SS..Hα-helixtrans-63.3-43.8177.6-71.2-14.2000111.4E67 T69 V73 R74 E75E67-N71 WeakPolarHBondContact CG-ND2 3.31Å; E67-N71 WeakPolarHBondContact O-CB 3.4Å; E67-N71 PolarHBondContact O-N 3.41Å; E67-N71 PolarHBondContact O-ND2 2.89Å; T69-N71 PolarHBondContact O-N 3.25Å; N71-V73 PolarHBondContact O-N 3.31Å; N71-R74 WeakPolarHBondContact O-CB 3.48Å; N71-R74 PolarHBondContact O-N 2.75Å; N71-R74 PolarHBondContact OD1-NH1 3.47Å; N71-E75 WeakPolarHBondContact O-CG 3.45Å; N71-E75 PolarHBondContact O-N 3.04Å
72T98.7Very high97.2Very high2 Ų256.9 Ų56.91%0.01228%0.277CS..Hα-helixtrans-62.3-45.3176.8-58.50000112Q22 I23 A26 I68 T69 R74 E75 I76 K353Q22-T72 HydrophobicContact CB-CG2 3.89Å; I23-T72 HydrophobicContact CG1-CG2 3.87Å; A26-T72 WeakPolarHBondContact CB-OG1 3.4Å; I68-T72 WeakPolarHBondContact O-CB 3.39Å; I68-T72 PolarHBondContact O-N 3.42Å; I68-T72 PolarHBondContact O-OG1 3.15Å; T69-T72 PolarHBondContact O-N 3.03Å; T72-R74 VanDerWaalsContact C-N 3.28Å; T72-R74 PolarHBondContact O-N 2.73Å; T72-E75 PolarHBondContact O-N 3.05Å; T72-I76 HydrophobicContact CG2-CD1 4.18Å; T72-I76 VanDerWaalsContact O-CG1 3.32Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 2.83Å; T72-I76 VanDerWaalsContact O-N 3.15Å; T72-K353 PolarHBondContact OG1-NZ 3.15Å
73V98.5Very high97.1Very high0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-61.6-37.8175.7175.90000111.6I19 I23 T69 R70 N71 G77 Y78 F85 A87I19-V73 HydrophobicContact CG2-CG2 4.25Å; I23-V73 HydrophobicContact CD1-CG2 4.05Å; T69-V73 VanDerWaalsContact O-CG2 3.31Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.48Å; R70-V73 PolarHBondContact O-N 2.99Å; N71-V73 PolarHBondContact O-N 3.31Å; V73-G77 PolarHBondContact O-N 2.79Å; V73-Y78 PolarHBondContact O-N 3.28Å; V73-F85 HydrophobicContact CG1-CD1 3.81Å; V73-F85 HydrophobicContact CG1-CE1 3.73Å; V73-F85 HydrophobicContact CG2-CE1 4.09Å; V73-A87 HydrophobicContact CB-CB 3.98Å; V73-A87 HydrophobicContact CG1-CB 3.79Å
74R98.3Very high96.7Very high91 Ų9149.2 Ų49.234%0.34325%0.252SS..Hα-helixtrans-66.4-44.8177.1-172.8178.3-60.6101.60.9112.3R70 N71 T72 I76 G77 V79 A87 N88R70-R74 WeakPolarHBondContact O-CB 3.23Å; R70-R74 PolarHBondContact O-N 2.68Å; N71-R74 WeakPolarHBondContact O-CB 3.48Å; N71-R74 PolarHBondContact O-N 2.75Å; N71-R74 PolarHBondContact OD1-NH1 3.47Å; T72-R74 VanDerWaalsContact C-N 3.28Å; T72-R74 PolarHBondContact O-N 2.73Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 PolarHBondContact O-N 3.05Å; R74-G77 WeakPolarHBondContact O-CA 3.19Å; R74-G77 PolarHBondContact O-N 2.88Å; R74-V79 HydrophobicContact CB-CG1 4.36Å; R74-V79 HydrophobicContact CG-CG1 3.7Å; R74-A87 HydrophobicContact CB-CB 4Å; R74-N88 PolarHBondContact NH2-OD1 3.34Å
75E98.3Very high96.7Very high112 Ų11246.6 Ų46.652%0.52324%0.238SC..Hα-helixtrans-63.6-34.3178.8-74.1168.6-153.100113.2N71 T72 G77 K154 K353N71-E75 WeakPolarHBondContact O-CG 3.45Å; N71-E75 PolarHBondContact O-N 3.04Å; T72-E75 PolarHBondContact O-N 3.05Å; E75-G77 VanDerWaalsContact C-N 3.26Å; E75-G77 PolarHBondContact O-N 3.03Å; E75-K154 WeakPolarHBondContact O-CE 3.46Å; E75-K154 PolarHBondContact O-NZ 3.2Å; E75-K353 IonicContact OE1-NZ 2.73Å; E75-K353 IonicContact OE2-NZ 3Å; E75-K353 PolarHBondContact OE2-NZ 3.15Å
76I98.4Very high96.6Very high1 Ų146.3 Ų46.31%0.00524%0.237CC..Hα-helixtrans-65.1-33.2172.6-69.8166.8000110.9E13 I19 Q22 T72 R74 Y78 R153 P163E13-I76 HydrophobicContact CG-CG2 4.29Å; E13-I76 WeakPolarHBondContact O-CG2 3.37Å; I19-I76 HydrophobicContact CB-CD1 4.27Å; I19-I76 HydrophobicContact CG1-CD1 4.04Å; I19-I76 HydrophobicContact CG1-CG2 4.49Å; I19-I76 HydrophobicContact CG2-CD1 4.15Å; Q22-I76 HydrophobicContact CB-CD1 4.32Å; T72-I76 HydrophobicContact CG2-CD1 4.18Å; T72-I76 VanDerWaalsContact O-CG1 3.32Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 2.83Å; T72-I76 VanDerWaalsContact O-N 3.15Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 PolarHBondContact O-N 3.05Å; I76-Y78 HydrophobicContact CG2-CD2 3.77Å; I76-Y78 HydrophobicContact CG2-CE2 3.84Å; I76-R153 PolarHBondContact O-NH1 3.48Å; I76-R153 PolarHBondContact O-NH2 2.85Å; I76-P163 HydrophobicContact CG2-CB 4.18Å
77G97.9Very high96.6Very high15 Ų1541.9 Ų41.916%0.15522%0.216CC..THydrogen-bonded Turntrans117.48.1174.300000115.3V73 R74 E75 V79 M83V73-G77 PolarHBondContact O-N 2.79Å; R74-G77 WeakPolarHBondContact O-CA 3.19Å; R74-G77 PolarHBondContact O-N 2.88Å; E75-G77 VanDerWaalsContact C-N 3.26Å; E75-G77 PolarHBondContact O-N 3.03Å; G77-V79 VanDerWaalsContact C-N 3.31Å; G77-V79 PolarHBondContact O-N 3.43Å; G77-M83 VanDerWaalsContact O-SD 3.38Å
78Y97.8Very high96.6Very high0 Ų041.2 Ų41.20%022%0.217CC..  trans-80.979.2173.7-73.4-71.5000110.6G14 I19 V73 I76 M83 F85 A87 P163 G235G14-Y78 WeakPolarHBondContact O-CE2 3.29Å; G14-Y78 PolarHBondContact O-OH 3.31Å; I19-Y78 HydrophobicContact CD1-CD2 3.84Å; I19-Y78 HydrophobicContact CD1-CE2 3.33Å; I19-Y78 HydrophobicContact CG1-CE2 4.15Å; V73-Y78 PolarHBondContact O-N 3.28Å; I76-Y78 HydrophobicContact CG2-CD2 3.77Å; I76-Y78 HydrophobicContact CG2-CE2 3.84Å; Y78-M83 HydrophobicContact CD1-CB 4.17Å; Y78-M83 HydrophobicContact CE1-CB 4.48Å; Y78-F85 HydrophobicContact CD1-CB 3.84Å; Y78-F85 HydrophobicContact CE1-CB 4.33Å; Y78-F85 HydrophobicContact CG-CB 4.24Å; Y78-F85 HydrophobicContact CG-CD1 4.26Å; Y78-A87 PolarHBondContact O-N 2.73Å; Y78-P163 HydrophobicContact CD1-CG 4.24Å; Y78-P163 HydrophobicContact CD2-CB 4.26Å; Y78-P163 HydrophobicContact CD2-CG 4.26Å; Y78-P163 HydrophobicContact CE1-CB 4.29Å; Y78-P163 HydrophobicContact CE1-CG 4.1Å; Y78-P163 HydrophobicContact CE2-CB 3.7Å; Y78-P163 HydrophobicContact CE2-CG 4.11Å; Y78-P163 HydrophobicContact CG-CG 4.32Å; Y78-G235 WeakPolarHBondContact OH-CA 3.3Å; Y78-G235 PolarHBondContact OH-N 3.48Å
79V96.7Very high96.5Very high67 Ų6743.7 Ų43.741%0.40624%0.236SC..EExtended strand (participates in β ladder)trans-117.43.5-170.5-57.80000114.3R74 G77R74-V79 HydrophobicContact CB-CG1 4.36Å; R74-V79 HydrophobicContact CG-CG1 3.7Å; G77-V79 VanDerWaalsContact C-N 3.31Å; G77-V79 PolarHBondContact O-N 3.43Å
80H94.4Very high96.4Very high99 Ų9943.8 Ų43.846%0.45824%0.237SC..EExtended strand (participates in β ladder)trans-149.5136.5179-163.1-94.4000110.7D82 M83H80-D82 IonicContact CE1-OD1 3.79Å; H80-D82 IonicContact CE1-OD2 3.51Å; H80-D82 PolarHBondContact CE1-OD2 2.9Å; H80-D82 WeakPolarHBondContact ND1-CB 3.49Å; H80-D82 PolarHBondContact ND1-N 3.18Å; H80-D82 IonicContact ND1-OD1 3.59Å; H80-D82 IonicContact ND1-OD2 2.65Å; H80-D82 PolarHBondContact ND1-OD2 3.45Å; H80-D82 PolarHBondContact O-N 2.82Å; H80-D82 VanDerWaalsContact O-N 3.1Å; H80-M83 WeakPolarHBondContact O-CB 3.25Å; H80-M83 PolarHBondContact O-N 3.31Å
81S92.7Very high96.4Very high62 Ų6243.9 Ų43.943%0.43425%0.247SC..G310 helixtrans-60.6-22.8-176.4-66.10000114M83 G84 D86S81-M83 PolarHBondContact O-N 3.43Å; S81-M83 VanDerWaalsContact O-N 3.16Å; S81-G84 WeakPolarHBondContact O-CA 3.49Å; S81-G84 PolarHBondContact O-N 2.82Å; S81-D86 PolarHBondContact N-OD2 2.88Å; S81-D86 PolarHBondContact OG-OD2 3.23Å
82D91.3Very high96.4Very high111 Ų11142.4 Ų42.459%0.59424%0.24SC*.G310 helixtrans-63.6-17.2174.1-66.2-9.5000113.9H80 G84 R162H80-D82 IonicContact CE1-OD1 3.79Å; H80-D82 IonicContact CE1-OD2 3.51Å; H80-D82 PolarHBondContact CE1-OD2 2.9Å; H80-D82 WeakPolarHBondContact ND1-CB 3.49Å; H80-D82 PolarHBondContact ND1-N 3.18Å; H80-D82 IonicContact ND1-OD1 3.59Å; H80-D82 IonicContact ND1-OD2 2.65Å; H80-D82 PolarHBondContact ND1-OD2 3.45Å; H80-D82 PolarHBondContact O-N 2.82Å; H80-D82 VanDerWaalsContact O-N 3.1Å; D82-G84 VanDerWaalsContact C-N 3.26Å; D82-R162 VanDerWaalsContact O-CZ 3.27Å; D82-R162 PolarHBondContact O-NH1 3.3Å; D82-R162 PolarHBondContact O-NH2 2.97Å
83M92.6Very high96.4Very high42 Ų4246.3 Ų46.321%0.20726%0.26CS..G310 helixtrans-82.4-5.8172.8-58.1-172.4-171.600112.6G77 Y78 H80 S81 F85 R162 P163 Q189G77-M83 VanDerWaalsContact O-SD 3.38Å; Y78-M83 HydrophobicContact CD1-CB 4.17Å; Y78-M83 HydrophobicContact CE1-CB 4.48Å; H80-M83 WeakPolarHBondContact O-CB 3.25Å; H80-M83 PolarHBondContact O-N 3.31Å; S81-M83 PolarHBondContact O-N 3.43Å; S81-M83 VanDerWaalsContact O-N 3.16Å; M83-F85 VanDerWaalsContact C-N 3.33Å; M83-R162 HydrophobicContact CG-CG 4.44Å; M83-P163 HydrophobicContact SD-CG 4.34Å; M83-Q189 PolarHBondContact O-NE2 2.72Å
84G89.6Confident96.3Very high16 Ų1650 Ų5017%0.16529%0.286CS..THydrogen-bonded Turntrans90.5-13.3-177.800000114.8S81 D82 M237S81-G84 WeakPolarHBondContact O-CA 3.49Å; S81-G84 PolarHBondContact O-N 2.82Å; D82-G84 VanDerWaalsContact C-N 3.26Å; G84-M237 WeakPolarHBondContact CA-SD 3.35Å; G84-M237 WeakPolarHBondContact O-CB 3.32Å
85F96.6Very high96.2Very high5 Ų548.7 Ų48.72%0.02230%0.295CS..EExtended strand (participates in β ladder)trans-147.6142.8177.3-159.7-111.7000109.8V46 K47 V51 V73 Y78 M83 C90 P236V46-F85 HydrophobicContact CG1-CE1 4.19Å; V46-F85 HydrophobicContact CG1-CE2 4.37Å; V46-F85 HydrophobicContact CG1-CZ 3.81Å; K47-F85 VanDerWaalsContact O-CE2 3.3Å; K47-F85 WeakPolarHBondContact O-CE2 3.39Å; V51-F85 HydrophobicContact CG2-CE1 4.35Å; V51-F85 HydrophobicContact CG2-CZ 3.78Å; V73-F85 HydrophobicContact CG1-CD1 3.81Å; V73-F85 HydrophobicContact CG1-CE1 3.73Å; V73-F85 HydrophobicContact CG2-CE1 4.09Å; Y78-F85 HydrophobicContact CD1-CB 3.84Å; Y78-F85 HydrophobicContact CE1-CB 4.33Å; Y78-F85 HydrophobicContact CG-CB 4.24Å; Y78-F85 HydrophobicContact CG-CD1 4.26Å; M83-F85 VanDerWaalsContact C-N 3.33Å; F85-C90 HydrophobicContact CE2-CB 3.91Å; F85-C90 HydrophobicContact CZ-CB 3.85Å; F85-P236 HydrophobicContact CB-CB 4.39Å; F85-P236 HydrophobicContact CB-CG 4.19Å; F85-P236 HydrophobicContact CD1-CB 4.44Å; F85-P236 HydrophobicContact CD1-CG 3.77Å; F85-P236 HydrophobicContact CD2-CB 3.62Å; F85-P236 HydrophobicContact CD2-CG 3.88Å; F85-P236 HydrophobicContact CE1-CG 4.02Å; F85-P236 HydrophobicContact CE2-CB 3.89Å; F85-P236 HydrophobicContact CE2-CG 4.13Å; F85-P236 HydrophobicContact CG-CB 3.92Å; F85-P236 HydrophobicContact CG-CG 3.69Å; F85-P236 HydrophobicContact CZ-CB 4.4Å; F85-P236 HydrophobicContact CZ-CG 4.19Å
86D97.2Very high96.1Very high15 Ų1545.9 Ų45.98%0.0828%0.283CS..EExtended strand (participates in β ladder)trans-148.3122-170.2-179.3-10.6000110.2S81 N88 S89 C90S81-D86 PolarHBondContact N-OD2 2.88Å; S81-D86 PolarHBondContact OG-OD2 3.23Å; D86-N88 PolarHBondContact O-N 3.3Å; D86-N88 VanDerWaalsContact O-N 3.13Å; D86-N88 WeakPolarHBondContact OD1-CB 3.29Å; D86-N88 PolarHBondContact OD1-N 3.48Å; D86-N88 PolarHBondContact OD1-ND2 3.08Å; D86-S89 WeakPolarHBondContact CB-OG 3.33Å; D86-S89 PolarHBondContact O-N 2.89Å; D86-C90 WeakPolarHBondContact O-CB 3.33Å; D86-C90 PolarHBondContact O-N 3.25Å; D86-C90 PolarHBondContact O-SG 3.08Å
87A98.1Very high95.8Very high0 Ų047.5 Ų47.50%030%0.3CS..THydrogen-bonded Turntrans-54.6-27.7178.300000113.7R70 V73 R74 Y78R70-A87 WeakPolarHBondContact CG-O 3.18Å; R70-A87 PolarHBondContact NH1-O 2.97Å; R70-A87 WeakPolarHBondContact O-CB 3.22Å; V73-A87 HydrophobicContact CB-CB 3.98Å; V73-A87 HydrophobicContact CG1-CB 3.79Å; R74-A87 HydrophobicContact CB-CB 4Å; Y78-A87 PolarHBondContact O-N 2.73Å
88N96.4Very high95.3Very high99 Ų9955.7 Ų55.753%0.52933%0.331SS..THydrogen-bonded Turntrans-89.2-22-176-57.3-48.6000113.4R74 D86R74-N88 PolarHBondContact NH2-OD1 3.34Å; D86-N88 PolarHBondContact O-N 3.3Å; D86-N88 VanDerWaalsContact O-N 3.13Å; D86-N88 WeakPolarHBondContact OD1-CB 3.29Å; D86-N88 PolarHBondContact OD1-N 3.48Å; D86-N88 PolarHBondContact OD1-ND2 3.08Å
89S96.4Very high94.5Very high80 Ų8056.8 Ų56.856%0.55934%0.336SS*.THydrogen-bonded Turntrans-114.5-15.7-174.569.50000114D86D86-S89 WeakPolarHBondContact CB-OG 3.33Å; D86-S89 PolarHBondContact O-N 2.89Å
90C97.3Very high93.8Very high2 Ų255.6 Ų55.61%0.01433%0.331CS..SBendtrans-65.1144.5176.269.90000112.2R70 F85 D86R70-C90 PolarHBondContact NH1-O 2.99Å; R70-C90 PolarHBondContact NH2-O 2.99Å; R70-C90 VanDerWaalsContact NH2-O 3.09Å; F85-C90 HydrophobicContact CE2-CB 3.91Å; F85-C90 HydrophobicContact CZ-CB 3.85Å; D86-C90 WeakPolarHBondContact O-CB 3.33Å; D86-C90 PolarHBondContact O-N 3.25Å; D86-C90 PolarHBondContact O-SG 3.08Å
91A98.2Very high93.1Very high46 Ų4655.4 Ų55.438%0.3834%0.339SS..EExtended strand (participates in β ladder)trans-72.9137.4167.600000109.6G49 M50 V51G49-A91 PolarHBondContact O-N 3.09Å; M50-A91 CarbonylContact C-O 3.53Å; M50-A91 WeakPolarHBondContact CA-O 3.33Å; M50-A91 HydrophobicContact CG-CB 4.47Å; V51-A91 PolarHBondContact N-O 2.82Å
92V98.5Very high92.4Very high25 Ų2558 Ų5815%0.15235%0.348CS..EExtended strand (participates in β ladder)trans-114.7117.3169.4-174.80000107.8V51 E66 T69 R70V51-V92 CarbonylContact O-C 3.59Å; V51-V92 WeakPolarHBondContact O-CA 3.49Å; E66-V92 HydrophobicContact CB-CB 4.49Å; E66-V92 HydrophobicContact CG-CB 4.17Å; E66-V92 HydrophobicContact CG-CG2 4.26Å; T69-V92 HydrophobicContact CG2-CG1 3.98Å; T69-V92 HydrophobicContact CG2-CG2 3.77Å; R70-V92 HydrophobicContact CG-CG2 4.22Å
93L98.1Very high91.7Very high84 Ų8455.9 Ų55.944%0.4434%0.336SS..EExtended strand (participates in β ladder)trans-108135.2178.2-58.1177.8000108.6M50 V51 L52 V53M50-L93 HydrophobicContact CG-CD1 4.02Å; M50-L93 HydrophobicContact CG-CG 4.35Å; M50-L93 HydrophobicContact SD-CD1 3.45Å; M50-L93 WeakPolarHBondContact SD-CD1 3.15Å; M50-L93 HydrophobicContact SD-CG 4.39Å; V51-L93 PolarHBondContact O-N 3.24Å; L52-L93 CarbonylContact C-O 3.51Å; L52-L93 WeakPolarHBondContact CA-O 3.43Å; L52-L93 HydrophobicContact CB-CB 4.45Å; L52-L93 HydrophobicContact CD1-CB 3.7Å; V53-L93 PolarHBondContact N-O 2.84Å
94S96.9Very high91Very high77 Ų7755.4 Ų55.454%0.53833%0.334SS..EExtended strand (participates in β ladder)trans-112.5128.8173.3-179.60000110.4V53V53-S94 CarbonylContact O-C 3.56Å; V53-S94 WeakPolarHBondContact O-CA 3.34Å
95A96.9Very high90.4Very high65 Ų6561.1 Ų61.154%0.53736%0.357SS..EExtended strand (participates in β ladder)trans-12934.2174.600000110.7L52 V53L52-A95 HydrophobicContact CD1-CB 3.99Å; V53-A95 PolarHBondContact O-N 3.2Å
96I95.6Very high89.4Confident53 Ų5361.7 Ų61.727%0.27236%0.364SS..EExtended strand (participates in β ladder)trans-73.5126.3-179.9-66.6162.1000110.2V53 I57 I65V53-I96 HydrophobicContact CG1-CD1 4.07Å; V53-I96 HydrophobicContact CG1-CG1 4.42Å; I57-I96 HydrophobicContact CB-CG2 3.88Å; I57-I96 HydrophobicContact CD1-CD1 4.02Å; I57-I96 HydrophobicContact CD1-CG1 4.33Å; I57-I96 HydrophobicContact CD1-CG2 3.86Å; I57-I96 HydrophobicContact CG1-CG2 3.98Å; I65-I96 HydrophobicContact CD1-CD1 3.72Å; I65-I96 HydrophobicContact CG1-CD1 3.79Å; I65-I96 HydrophobicContact CG2-CD1 4.45Å
97G92.5Very high88.5Confident35 Ų3561 Ų6136%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-105.1-178.3171.600000112.9G55 E56 I57G55-G97 PolarHBondContact O-N 3.16Å; E56-G97 WeakPolarHBondContact CA-O 3.3Å; I57-G97 PolarHBondContact N-O 3.37Å
98K87.3Confident87.6Confident187 Ų18765.1 Ų65.181%0.81338%0.382SS*.PPolyproline II helixtrans-91.2149.5171.3-67.4-173.7178.2-175.40110.4
99Q81.7Confident86.8Confident22 Ų2266.1 Ų66.110%0.10338%0.378CS..PPolyproline II helixtrans-61.6143173.6-166.1175.613.600110.9E56 T58 N104E56-Q99 HydrophobicContact CB-CB 4.31Å; T58-Q99 WeakPolarHBondContact OG1-CB 3.37Å; T58-Q99 PolarHBondContact OG1-N 2.94Å; Q99-N104 PolarHBondContact OE1-OD1 2.78Å
100S81.2Confident86.1Confident43 Ų4367.7 Ų67.730%0.30140%0.397SS..PPolyproline II helixtrans-60.1129.3176.1176.70000111D102 I103 N104S100-D102 PolarHBondContact O-N 3.4Å; S100-D102 PolarHBondContact OG-N 3.07Å; S100-I103 PolarHBondContact O-N 3.13Å; S100-I103 VanDerWaalsContact O-N 3.15Å; S100-N104 PolarHBondContact O-N 3.06Å
101P79.6Confident85.6Confident95 Ų9571.1 Ų71.162%0.61742%0.415SS*.Hα-helixtrans-61.1-27.2174.626.1-34000112.4I103 N104 Q105P101-I103 VanDerWaalsContact C-N 3.26Å; P101-I103 PolarHBondContact O-N 3.26Å; P101-N104 PolarHBondContact O-N 3.45Å; P101-Q105 PolarHBondContact O-N 3.36Å
102D78.9Confident84.9Confident117 Ų11772.2 Ų72.263%0.62642%0.418SS*.Hα-helixtrans-69.4-24.7179.5-59.6-21.9000112.6S100 Q105S100-D102 PolarHBondContact O-N 3.4Å; S100-D102 PolarHBondContact OG-N 3.07Å; D102-Q105 WeakPolarHBondContact O-CG 3.22Å; D102-Q105 PolarHBondContact O-NE2 3.47Å
103I76.2Confident84.3Confident66 Ų6674.4 Ų74.434%0.33843%0.428SS..Hα-helixtrans-79-43.6172.7-63.1173.4000109.3S100 P101 Q105 G106 V107S100-I103 PolarHBondContact O-N 3.13Å; S100-I103 VanDerWaalsContact O-N 3.15Å; P101-I103 VanDerWaalsContact C-N 3.26Å; P101-I103 PolarHBondContact O-N 3.26Å; I103-Q105 VanDerWaalsContact C-N 3.32Å; I103-Q105 PolarHBondContact O-N 3.11Å; I103-G106 PolarHBondContact O-N 3.26Å; I103-V107 HydrophobicContact CG2-CG2 4.29Å; I103-V107 PolarHBondContact O-N 2.86Å
104N77.5Confident83.7Confident32 Ų3275.3 Ų75.317%0.17143%0.43CS..Hα-helixtrans-59.1-39.8-175.2-70.2-12.3000112.9Q99 S100 P101 G106 V107 D108Q99-N104 PolarHBondContact OE1-OD1 2.78Å; S100-N104 PolarHBondContact O-N 3.06Å; P101-N104 PolarHBondContact O-N 3.45Å; N104-G106 PolarHBondContact O-N 2.97Å; N104-G106 VanDerWaalsContact O-N 3.15Å; N104-V107 PolarHBondContact O-N 3.5Å; N104-V107 VanDerWaalsContact O-N 3.15Å; N104-D108 WeakPolarHBondContact O-CB 3.49Å; N104-D108 PolarHBondContact O-N 3.27Å
105Q77.6Confident83.2Confident136 Ų13672.9 Ų72.964%0.63641%0.41SS*.Hα-helixtrans-61.6-22.1178.161.1173.614.200114.8P101 D102 I103P101-Q105 PolarHBondContact O-N 3.36Å; D102-Q105 WeakPolarHBondContact O-CG 3.22Å; D102-Q105 PolarHBondContact O-NE2 3.47Å; I103-Q105 VanDerWaalsContact C-N 3.32Å; I103-Q105 PolarHBondContact O-N 3.11Å
106G75Confident82.5Confident17 Ų1769.8 Ų69.818%0.17539%0.385CS..Hα-helixtrans-85.7-32.4176.700000112.8I103 N104 R109 G304I103-G106 PolarHBondContact O-N 3.26Å; N104-G106 PolarHBondContact O-N 2.97Å; N104-G106 VanDerWaalsContact O-N 3.15Å; G106-R109 PolarHBondContact O-NE 3.01Å; G106-G304 WeakPolarHBondContact O-CA 3.47Å
107V77.6Confident81.9Confident1 Ų167.2 Ų67.21%0.00637%0.372CS..Hα-helixtrans-88.2-48.6-176.7-171.90000110.8I103 N104 R109 Q115 G116I103-V107 HydrophobicContact CG2-CG2 4.29Å; I103-V107 PolarHBondContact O-N 2.86Å; N104-V107 PolarHBondContact O-N 3.5Å; N104-V107 VanDerWaalsContact O-N 3.15Å; V107-R109 PolarHBondContact O-N 3.3Å; V107-Q115 HydrophobicContact CG1-CG 4.06Å; V107-Q115 WeakPolarHBondContact O-CA 3.21Å; V107-Q115 WeakPolarHBondContact O-CG 3.18Å; V107-G116 PolarHBondContact O-N 3.35Å
108D79.6Confident81.2Confident85 Ų8566 Ų6646%0.45536%0.36SS..  trans-80.4114.7-179.2-64.6-35.4000110.4R39 N104R39-D108 IonicContact CZ-OD1 3.39Å; R39-D108 IonicContact NH1-OD1 3.62Å; R39-D108 IonicContact NH1-OD2 3.86Å; R39-D108 IonicContact NH2-OD1 2.61Å; R39-D108 PolarHBondContact NH2-OD1 3.2Å; N104-D108 WeakPolarHBondContact O-CB 3.49Å; N104-D108 PolarHBondContact O-N 3.27Å
109R80.6Confident81.1Confident120 Ų12060.9 Ų60.945%0.45334%0.341SS..  trans-112.1160.1174.2-60.8-51-169.6173.51.5110.7G106 V107 D111 E114 G304G106-R109 PolarHBondContact O-NE 3.01Å; V107-R109 PolarHBondContact O-N 3.3Å; R109-D111 VanDerWaalsContact C-N 3.27Å; R109-D111 WeakPolarHBondContact CB-O 3.3Å; R109-D111 PolarHBondContact O-N 3.1Å; R109-E114 HydrophobicContact CB-CB 4.11Å; R109-E114 HydrophobicContact CG-CB 4.04Å; R109-E114 WeakPolarHBondContact CG-O 3.26Å; R109-G304 PolarHBondContact NH2-O 3.01Å
110A81.7Confident81.5Confident114 Ų11466.4 Ų66.494%0.94237%0.366SS*.SBendtrans-62.6-37.517400000111.7
111D86.3Confident82.1Confident74 Ų7465.3 Ų65.340%0.39636%0.362SS..SBendtrans-97116.8168.7-171.7-14.2000109.4R109 L113 E114R109-D111 VanDerWaalsContact C-N 3.27Å; R109-D111 WeakPolarHBondContact CB-O 3.3Å; R109-D111 PolarHBondContact O-N 3.1Å; D111-L113 PolarHBondContact O-N 3.33Å; D111-L113 VanDerWaalsContact O-N 3.17Å; D111-L113 WeakPolarHBondContact OD1-CB 3.43Å; D111-L113 WeakPolarHBondContact OD1-CG 3.23Å; D111-L113 PolarHBondContact OD1-N 3Å; D111-E114 HydrophobicContact CB-CB 4.44Å; D111-E114 HydrophobicContact CB-CG 4.13Å; D111-E114 PolarHBondContact O-N 2.83Å
112P83.3Confident82.9Confident68 Ų6864.2 Ų64.244%0.44235%0.351SS..G310 helixtrans-55.2-28.8175.5-25.935.1000114.1E114 Q115 Y339P112-E114 PolarHBondContact O-N 2.81Å; P112-Q115 VanDerWaalsContact O-CB 3.22Å; P112-Q115 WeakPolarHBondContact O-CB 3.24Å; P112-Q115 PolarHBondContact O-N 2.94Å; P112-Q115 VanDerWaalsContact O-N 3.09Å; P112-Y339 HydrophobicContact CB-CD2 3.82Å; P112-Y339 HydrophobicContact CB-CE2 3.62Å; P112-Y339 VanDerWaalsContact O-CB 3.28Å; P112-Y339 WeakPolarHBondContact O-CB 3.36Å; P112-Y339 WeakPolarHBondContact O-CD2 3.34Å
113L85.4Confident83.8Confident71 Ų7158.9 Ų58.937%0.37232%0.322SS..G310 helixtrans-63.6-25.5177.5-63.7173.6000112.6D111 Q115 Y339D111-L113 PolarHBondContact O-N 3.33Å; D111-L113 VanDerWaalsContact O-N 3.17Å; D111-L113 WeakPolarHBondContact OD1-CB 3.43Å; D111-L113 WeakPolarHBondContact OD1-CG 3.23Å; D111-L113 PolarHBondContact OD1-N 3Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Y339 HydrophobicContact CD2-CD1 3.62Å; L113-Y339 HydrophobicContact CD2-CE1 3.61Å
114E86.4Confident84.9Confident104 Ų10456.5 Ų56.549%0.48631%0.31SS..G310 helixtrans-92.58.7179-62.1-60.1133.400112.4R109 D111 P112 G116R109-E114 HydrophobicContact CB-CB 4.11Å; R109-E114 HydrophobicContact CG-CB 4.04Å; R109-E114 WeakPolarHBondContact CG-O 3.26Å; D111-E114 HydrophobicContact CB-CB 4.44Å; D111-E114 HydrophobicContact CB-CG 4.13Å; D111-E114 PolarHBondContact O-N 2.83Å; P112-E114 PolarHBondContact O-N 2.81Å; E114-G116 PolarHBondContact O-N 3.43Å
115Q86.1Confident85.9Confident25 Ų2555 Ų5512%0.11730%0.301CS..PPolyproline II helixtrans-49.4118.5176.6-178.4-173.8-47.300110.2V107 P112 L113 A306 P338V107-Q115 HydrophobicContact CG1-CG 4.06Å; V107-Q115 WeakPolarHBondContact O-CA 3.21Å; V107-Q115 WeakPolarHBondContact O-CG 3.18Å; P112-Q115 VanDerWaalsContact O-CB 3.22Å; P112-Q115 WeakPolarHBondContact O-CB 3.24Å; P112-Q115 PolarHBondContact O-N 2.94Å; P112-Q115 VanDerWaalsContact O-N 3.09Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; Q115-A306 WeakPolarHBondContact O-CB 3.46Å; Q115-P338 HydrophobicContact CG-CB 4.46Å
116G83.1Confident86.9Confident0 Ų048.7 Ų48.70%027%0.272CS..PPolyproline II helixtrans-75.1158.7179.300000112V107 E114 G118V107-G116 PolarHBondContact O-N 3.35Å; E114-G116 PolarHBondContact O-N 3.43Å; G116-G118 PolarHBondContact O-N 2.89Å
117A81.6Confident88Confident0 Ų047.9 Ų47.90%026%0.263CS..BIsolated β-bridgetrans-59.7136.4169.400000110.7D119 V271 Y301 G304 V305 P338A117-D119 WeakPolarHBondContact CB-O 3.35Å; A117-D119 PolarHBondContact O-N 2.91Å; A117-V271 HydrophobicContact CB-CG1 3.76Å; A117-V271 HydrophobicContact CB-CG2 4.07Å; A117-Y301 HydrophobicContact CB-CD1 4.16Å; A117-Y301 HydrophobicContact CB-CG 4.14Å; A117-G304 PolarHBondContact O-N 3.24Å; A117-V305 PolarHBondContact N-O 3.39Å; A117-P338 HydrophobicContact CB-CG 4.34Å
118G78.7Confident89Confident10 Ų1048 Ų4810%0.10326%0.264CS..SBendtrans-61.8-23.4178.500000114.6G116 S269G116-G118 PolarHBondContact O-N 2.89Å; G118-S269 PolarHBondContact N-O 3.04Å
119D86Confident89.9Confident78 Ų7848.1 Ų48.142%0.41727%0.265SS..SBendtrans-154.4169.8175.9-159.1-4.7000108.8A117A117-D119 WeakPolarHBondContact CB-O 3.35Å; A117-D119 PolarHBondContact O-N 2.91Å
120Q88.9Confident90.7Very high138 Ų13844.1 Ų44.165%0.64525%0.251SS*.  trans-69.9157.7160.665.7175.62800110.1Y301Q120-Y301 WeakPolarHBondContact CA-O 3.15Å
121G93.4Very high91.5Very high21 Ų2139.2 Ų39.222%0.21621%0.21CC..EExtended strand (participates in β ladder)trans169.9175.6168.200000113.3M123 S300 Y301G121-M123 VanDerWaalsContact C-CE 3.44Å; G121-S300 CarbonylContact O-C 3.07Å; G121-S300 WeakPolarHBondContact O-CA 3.3Å; G121-S300 WeakPolarHBondContact O-CB 3.41Å; G121-Y301 PolarHBondContact N-O 3.43Å; G121-Y301 VanDerWaalsContact N-O 3.1Å; G121-Y301 PolarHBondContact O-N 3.33Å
122L96.5Very high92Very high71 Ų7141.7 Ų41.737%0.37222%0.223SC..EExtended strand (participates in β ladder)trans-130.1140.1174.262.4114.6000108.5F124 G259 V299L122-F124 HydrophobicContact CD1-CD2 4.22Å; L122-F124 HydrophobicContact CD1-CE2 3.45Å; L122-F124 VanDerWaalsContact CD1-CE2 3.45Å; L122-F124 HydrophobicContact CD1-CZ 4.22Å; L122-G259 WeakPolarHBondContact O-CA 3.34Å; L122-V299 CarbonylContact C-O 3.6Å; L122-V299 WeakPolarHBondContact CA-O 3.44Å
123M98.5Very high92.7Very high5 Ų539.1 Ų39.13%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-133.7149.2-174.6-58.280-15200109.1G121 V271 D272 A275 A276 Q298 V299 Y301G121-M123 VanDerWaalsContact C-CE 3.44Å; M123-V271 HydrophobicContact CE-CB 4.34Å; M123-V271 HydrophobicContact CE-CG2 3.82Å; M123-V271 HydrophobicContact SD-CG2 4.5Å; M123-D272 WeakPolarHBondContact CE-OD1 3.47Å; M123-A275 HydrophobicContact CB-CB 4.42Å; M123-A275 HydrophobicContact CG-CB 4.08Å; M123-A275 HydrophobicContact SD-CB 4.05Å; M123-A276 HydrophobicContact CB-CB 4.26Å; M123-A276 HydrophobicContact CG-CB 4.44Å; M123-Q298 WeakPolarHBondContact O-CA 3.38Å; M123-V299 HydrophobicContact CB-CG2 3.9Å; M123-V299 PolarHBondContact N-O 3.25Å; M123-V299 PolarHBondContact O-N 2.79Å; M123-V299 HydrophobicContact SD-CG2 4.5Å; M123-Y301 HydrophobicContact SD-CD2 3.91Å; M123-Y301 HydrophobicContact SD-CE2 4.16Å
124F98.8Very high93.4Very high17 Ų1737 Ų378%0.07520%0.195CC..EExtended strand (participates in β ladder)trans-122.9138.7178.5-70.8-88.4000111.4L122 R257 E296 I297 Q298L122-F124 HydrophobicContact CD1-CD2 4.22Å; L122-F124 HydrophobicContact CD1-CE2 3.45Å; L122-F124 VanDerWaalsContact CD1-CE2 3.45Å; L122-F124 HydrophobicContact CD1-CZ 4.22Å; F124-R257 VanDerWaalsContact CB-O 3.25Å; F124-R257 WeakPolarHBondContact CB-O 3.25Å; F124-R257 HydrophobicContact CD1-CB 3.76Å; F124-R257 HydrophobicContact CD2-CB 3.88Å; F124-R257 HydrophobicContact CE1-CB 3.61Å; F124-R257 HydrophobicContact CE1-CG 4.29Å; F124-R257 HydrophobicContact CE2-CB 3.71Å; F124-R257 HydrophobicContact CG-CB 3.88Å; F124-R257 HydrophobicContact CZ-CB 3.57Å; F124-R257 HydrophobicContact CZ-CG 4.35Å; F124-E296 HydrophobicContact CD1-CG 4.05Å; F124-I297 CarbonylContact C-O 3.53Å; F124-I297 WeakPolarHBondContact CA-O 3.06Å; F124-Q298 HydrophobicContact CD1-CB 3.87Å; F124-Q298 HydrophobicContact CD1-CG 4.09Å; F124-Q298 HydrophobicContact CE1-CB 3.63Å; F124-Q298 HydrophobicContact CE1-CG 3.63Å; F124-Q298 HydrophobicContact CE2-CG 4.42Å; F124-Q298 HydrophobicContact CZ-CB 4.35Å; F124-Q298 HydrophobicContact CZ-CG 3.83Å
125G98.8Very high94Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-113.6142.4171.300000110.1Y252 A279 E296 I297G125-Y252 VanDerWaalsContact CA-OH 3.31Å; G125-Y252 WeakPolarHBondContact CA-OH 3.38Å; G125-A279 VanDerWaalsContact CA-CB 3.47Å; G125-A279 WeakPolarHBondContact CA-O 3.34Å; G125-E296 CarbonylContact O-C 3.52Å; G125-E296 VanDerWaalsContact O-CA 3.27Å; G125-E296 WeakPolarHBondContact O-CA 3.5Å; G125-I297 PolarHBondContact N-O 3.37Å; G125-I297 PolarHBondContact O-N 3.33Å
126Y98.9Very high94.6Very high3 Ų330.9 Ų30.91%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-143.3145.7176.6-170.5-99.4000112.6T128 P136 Y252 M255 A256 R280 C295 E296 F316Y126-T128 HydrophobicContact CE1-CG2 3.72Å; Y126-P136 HydrophobicContact CD1-CG 3.92Å; Y126-P136 HydrophobicContact CE1-CG 3.81Å; Y126-Y252 HydrophobicContact CD1-CD1 4.39Å; Y126-Y252 PolarHBondContact N-OH 3.34Å; Y126-Y252 WeakPolarHBondContact O-CE1 3.49Å; Y126-M255 HydrophobicContact CE1-CG 4.11Å; Y126-A256 HydrophobicContact CD1-CB 4.33Å; Y126-A256 HydrophobicContact CD2-CB 3.72Å; Y126-A256 HydrophobicContact CE2-CB 4.48Å; Y126-A256 HydrophobicContact CG-CB 3.62Å; Y126-R280 WeakPolarHBondContact O-CD 3.4Å; Y126-R280 PolarHBondContact O-NH1 2.99Å; Y126-C295 CarbonylContact C-O 3.5Å; Y126-C295 VanDerWaalsContact CA-O 3.31Å; Y126-C295 WeakPolarHBondContact CA-O 3.26Å; Y126-C295 VanDerWaalsContact CD2-O 3.31Å; Y126-C295 WeakPolarHBondContact CD2-O 3.49Å; Y126-E296 HydrophobicContact CD2-CB 3.86Å; Y126-E296 HydrophobicContact CD2-CG 4.3Å; Y126-E296 HydrophobicContact CE2-CB 4.38Å; Y126-F316 AromaticContact CE2-CE2 3.92Å; Y126-F316 HydrophobicContact CE2-CE2 3.92Å; Y126-F316 HydrophobicContact CE2-CZ 4.44Å
127A98.9Very high95.3Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-147.6151.6167.100000110.8L134 A283 K284 V287 R294 C295A127-L134 WeakPolarHBondContact CA-O 3.33Å; A127-L134 HydrophobicContact CB-CB 4.48Å; A127-A283 HydrophobicContact CB-CB 4.06Å; A127-A283 WeakPolarHBondContact CB-O 3.42Å; A127-K284 HydrophobicContact CB-CB 4.3Å; A127-V287 HydrophobicContact CB-CB 4.11Å; A127-V287 HydrophobicContact CB-CG2 3.75Å; A127-R294 CarbonylContact O-C 3.52Å; A127-R294 VanDerWaalsContact O-CA 3.23Å; A127-R294 WeakPolarHBondContact O-CA 3.45Å; A127-R294 WeakPolarHBondContact O-CB 3.46Å; A127-C295 PolarHBondContact N-O 2.92Å; A127-C295 PolarHBondContact O-N 3.35Å
128T98.7Very high96.1Very high3 Ų330.9 Ų30.92%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-150.5150.1177.3178.10000109Y126 E130 L134 M135 P136 D293Y126-T128 HydrophobicContact CE1-CG2 3.72Å; T128-E130 HydrophobicContact CG2-CB 4.03Å; T128-E130 HydrophobicContact CG2-CG 4.11Å; T128-E130 PolarHBondContact O-N 3.48Å; T128-E130 WeakPolarHBondContact OG1-CG 3.47Å; T128-E130 PolarHBondContact OG1-OE1 2.88Å; T128-L134 PolarHBondContact N-O 3.5Å; T128-L134 CarbonylContact O-C 3.35Å; T128-L134 WeakPolarHBondContact O-CA 3.46Å; T128-M135 VanDerWaalsContact CG2-C 3.41Å; T128-P136 HydrophobicContact CG2-CB 4.37Å; T128-P136 HydrophobicContact CG2-CG 4.26Å; T128-D293 WeakPolarHBondContact CA-O 3.29Å
129N97.9Very high97.1Very high88 Ų8830.4 Ų30.447%0.47116%0.161SC..THydrogen-bonded Turntrans-82.816.2178.967.13.9000114.4T131 V287 D293N129-T131 VanDerWaalsContact C-N 3.26Å; N129-T131 PolarHBondContact O-N 2.71Å; N129-V287 HydrophobicContact CB-CG1 4.26Å; N129-D293 PolarHBondContact N-O 3.44Å; N129-D293 WeakPolarHBondContact ND2-CB 3.4Å; N129-D293 PolarHBondContact ND2-OD1 3.23Å
130E97.6Very high97.7Very high36 Ų3627.1 Ų27.117%0.16814%0.144CC..THydrogen-bonded Turntrans-66-24178-73.8170.5-131.200114.1T128 A137 Y173 I178T128-E130 HydrophobicContact CG2-CB 4.03Å; T128-E130 HydrophobicContact CG2-CG 4.11Å; T128-E130 PolarHBondContact O-N 3.48Å; T128-E130 WeakPolarHBondContact OG1-CG 3.47Å; T128-E130 PolarHBondContact OG1-OE1 2.88Å; E130-A137 HydrophobicContact CB-CB 4.44Å; E130-A137 PolarHBondContact OE2-N 3.41Å; E130-Y173 PolarHBondContact OE2-OH 3.45Å; E130-I178 HydrophobicContact CB-CD1 4.16Å; E130-I178 HydrophobicContact CG-CD1 4.22Å
131T98Very high98.2Very high12 Ų1221.5 Ų21.57%0.07412%0.117CC..SBendtrans-135.4162.8179.361.20000111.1N129 V133 L134 M135 A137 T140 Y141N129-T131 VanDerWaalsContact C-N 3.26Å; N129-T131 PolarHBondContact O-N 2.71Å; T131-V133 PolarHBondContact O-N 2.85Å; T131-L134 PolarHBondContact O-N 3.02Å; T131-L134 VanDerWaalsContact O-N 3.08Å; T131-M135 WeakPolarHBondContact CG2-O 3.4Å; T131-M135 PolarHBondContact OG1-N 2.98Å; T131-M135 PolarHBondContact OG1-O 3.25Å; T131-A137 HydrophobicContact CG2-CB 3.87Å; T131-T140 HydrophobicContact CG2-CG2 4.26Å; T131-Y141 HydrophobicContact CG2-CE2 4.33Å
132D96.9Very high98.4Very high125 Ų12520.5 Ų20.567%0.66811%0.107SC*.THydrogen-bonded Turntrans-60.2-32176.858.6-29.8000113.3L134 R144D132-L134 VanDerWaalsContact C-N 3.28Å; D132-L134 PolarHBondContact O-N 2.86Å; D132-R144 IonicContact OD1-NH2 3.31Å; D132-R144 PolarHBondContact OD1-NH2 2.82Å; D132-R144 IonicContact OD2-NH2 3.18Å
133V98.4Very high98.5Very high14 Ų1417.6 Ų17.69%0.0859%0.091CC..THydrogen-bonded Turntrans-90.513.5177.2-60.70000113.5T131 M135 T140 R280 E364T131-V133 PolarHBondContact O-N 2.85Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 HydrophobicContact CG2-CB 4.11Å; V133-M135 HydrophobicContact CG2-CG 4.18Å; V133-M135 PolarHBondContact O-N 3Å; V133-T140 HydrophobicContact CG2-CG2 4.25Å; V133-R280 PolarHBondContact O-NH2 2.83Å; V133-E364 HydrophobicContact CG1-CG 4.46Å
134L98.8Very high98.6Very high26 Ų2620.8 Ų20.814%0.13610%0.103CC..SBendtrans56.437.8178-55-179.4000114.6A127 T128 T131 D132 R280 K284 V287 A288A127-L134 WeakPolarHBondContact CA-O 3.33Å; A127-L134 HydrophobicContact CB-CB 4.48Å; T128-L134 PolarHBondContact N-O 3.5Å; T128-L134 CarbonylContact O-C 3.35Å; T128-L134 WeakPolarHBondContact O-CA 3.46Å; T131-L134 PolarHBondContact O-N 3.02Å; T131-L134 VanDerWaalsContact O-N 3.08Å; D132-L134 VanDerWaalsContact C-N 3.28Å; D132-L134 PolarHBondContact O-N 2.86Å; L134-R280 PolarHBondContact O-NH1 3.45Å; L134-K284 HydrophobicContact CB-CG 4.13Å; L134-K284 HydrophobicContact CD1-CG 3.7Å; L134-K284 HydrophobicContact CG-CG 4.47Å; L134-V287 HydrophobicContact CD1-CG1 4.39Å; L134-V287 HydrophobicContact CD2-CG1 4.03Å; L134-A288 HydrophobicContact CD1-CB 3.81Å
135M98.8Very high98.6Very high1 Ų120 Ų201%0.00510%0.099CC..SBendtrans-116.1157.6178.5-77.1-69.5-77.600111.9T128 T131 V133 A137 I139 T140 T251 Y252 R280 F361T128-M135 VanDerWaalsContact CG2-C 3.41Å; T131-M135 WeakPolarHBondContact CG2-O 3.4Å; T131-M135 PolarHBondContact OG1-N 2.98Å; T131-M135 PolarHBondContact OG1-O 3.25Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 HydrophobicContact CG2-CB 4.11Å; V133-M135 HydrophobicContact CG2-CG 4.18Å; V133-M135 PolarHBondContact O-N 3Å; M135-A137 PolarHBondContact O-N 2.9Å; M135-I139 HydrophobicContact CE-CG2 4.07Å; M135-T140 WeakPolarHBondContact CB-OG1 3.13Å; M135-T251 WeakPolarHBondContact CE-O 3.34Å; M135-Y252 HydrophobicContact CE-CD1 4.01Å; M135-Y252 HydrophobicContact SD-CD1 4.03Å; M135-Y252 HydrophobicContact SD-CE1 4.15Å; M135-R280 PolarHBondContact SD-NH1 3.44Å; M135-F361 HydrophobicContact CE-CB 3.79Å; M135-F361 HydrophobicContact SD-CB 3.73Å
136P98.7Very high98.6Very high0 Ų020 Ų200%010%0.099CC..  trans-59.3129.6170.7-13.624000110.7Y126 T128 P138 I139 T140 M255Y126-P136 HydrophobicContact CD1-CG 3.92Å; Y126-P136 HydrophobicContact CE1-CG 3.81Å; T128-P136 HydrophobicContact CG2-CB 4.37Å; T128-P136 HydrophobicContact CG2-CG 4.26Å; P136-P138 VanDerWaalsContact C-CD 3.45Å; P136-I139 HydrophobicContact CB-CG2 4.07Å; P136-I139 HydrophobicContact CG-CG2 4.12Å; P136-I139 VanDerWaalsContact O-CG2 3.3Å; P136-I139 WeakPolarHBondContact O-CG2 3.41Å; P136-I139 PolarHBondContact O-N 2.9Å; P136-T140 PolarHBondContact O-N 3.07Å; P136-T140 PolarHBondContact O-OG1 3.38Å; P136-T140 VanDerWaalsContact O-OG1 3.08Å; P136-M255 HydrophobicContact CB-CB 3.79Å; P136-M255 HydrophobicContact CB-CE 3.96Å; P136-M255 HydrophobicContact CB-CG 3.81Å; P136-M255 HydrophobicContact CG-CB 3.61Å; P136-M255 HydrophobicContact CG-CG 3.8Å
137A98.6Very high98.5Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-56.6-43-176.300000114E130 T131 M135 I139 T140 Y141 F171 I178 W216E130-A137 HydrophobicContact CB-CB 4.44Å; E130-A137 PolarHBondContact OE2-N 3.41Å; T131-A137 HydrophobicContact CG2-CB 3.87Å; M135-A137 PolarHBondContact O-N 2.9Å; A137-I139 PolarHBondContact O-N 3.15Å; A137-T140 PolarHBondContact O-N 2.96Å; A137-Y141 HydrophobicContact CB-CD2 4.11Å; A137-Y141 HydrophobicContact CB-CE2 4.1Å; A137-Y141 WeakPolarHBondContact O-CD2 3.25Å; A137-Y141 PolarHBondContact O-N 3.04Å; A137-F171 HydrophobicContact CB-CD1 4.28Å; A137-F171 HydrophobicContact CB-CE1 3.76Å; A137-F171 HydrophobicContact CB-CZ 3.99Å; A137-I178 HydrophobicContact CB-CD1 3.36Å; A137-W216 HydrophobicContact CB-CH2 4.4Å; A137-W216 HydrophobicContact CB-CZ3 4.4Å
138P98.7Very high98.5Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-54.9-46.4-176.9-28.837.2000114.1F6 S8 P136 A142 F171 Y173 M255F6-P138 HydrophobicContact CD1-CB 4.17Å; F6-P138 HydrophobicContact CD1-CG 3.91Å; S8-P138 WeakPolarHBondContact OG-CB 3.37Å; P136-P138 VanDerWaalsContact C-CD 3.45Å; P138-A142 WeakPolarHBondContact O-CB 3.31Å; P138-A142 PolarHBondContact O-N 2.76Å; P138-A142 VanDerWaalsContact O-N 3.1Å; P138-F171 HydrophobicContact CB-CD2 3.89Å; P138-F171 HydrophobicContact CB-CE2 4.37Å; P138-F171 HydrophobicContact CG-CB 3.94Å; P138-F171 HydrophobicContact CG-CD2 3.68Å; P138-F171 HydrophobicContact CG-CE2 4.37Å; P138-F171 HydrophobicContact CG-CG 3.84Å; P138-Y173 WeakPolarHBondContact CD-OH 3.39Å; P138-Y173 HydrophobicContact CG-CE2 4.28Å; P138-Y173 WeakPolarHBondContact CG-OH 3.39Å; P138-M255 HydrophobicContact CG-CE 4.23Å
139I98.9Very high98.5Very high0 Ų026.2 Ų26.20%013%0.127CC..Hα-helixtrans-74.7-38.1179.4-17256000111.9E9 M135 P136 A137 Y141 A142 H143E9-I139 VanDerWaalsContact O-CD1 3.26Å; E9-I139 WeakPolarHBondContact O-CD1 3.45Å; M135-I139 HydrophobicContact CE-CG2 4.07Å; P136-I139 HydrophobicContact CB-CG2 4.07Å; P136-I139 HydrophobicContact CG-CG2 4.12Å; P136-I139 VanDerWaalsContact O-CG2 3.3Å; P136-I139 WeakPolarHBondContact O-CG2 3.41Å; P136-I139 PolarHBondContact O-N 2.9Å; A137-I139 PolarHBondContact O-N 3.15Å; I139-Y141 PolarHBondContact O-N 3.29Å; I139-A142 PolarHBondContact O-N 3.47Å; I139-H143 WeakPolarHBondContact CD1-NE2 3.38Å; I139-H143 WeakPolarHBondContact CG1-NE2 3.4Å; I139-H143 PolarHBondContact O-CD2 2.92Å; I139-H143 VanDerWaalsContact O-CD2 3.25Å; I139-H143 PolarHBondContact O-N 3.49Å
140T98.8Very high98.6Very high9 Ų922.2 Ų22.26%0.05511%0.106CC..Hα-helixtrans-57.6-48.3176.5-61.20000111.4T131 V133 M135 P136 A137 H143 R144T131-T140 HydrophobicContact CG2-CG2 4.26Å; V133-T140 HydrophobicContact CG2-CG2 4.25Å; M135-T140 WeakPolarHBondContact CB-OG1 3.13Å; P136-T140 PolarHBondContact O-N 3.07Å; P136-T140 PolarHBondContact O-OG1 3.38Å; P136-T140 VanDerWaalsContact O-OG1 3.08Å; A137-T140 PolarHBondContact O-N 2.96Å; T140-H143 PolarHBondContact O-N 2.93Å; T140-R144 WeakPolarHBondContact O-CG 3.27Å; T140-R144 PolarHBondContact O-N 3.28Å
141Y98.8Very high98.6Very high21 Ų2125 Ų258%0.08212%0.119CC..Hα-helixtrans-74.9-32-179.8-72.4-73.1000112.8T131 A137 I139 R144 L145 F171 I211 L212 P213 W216T131-Y141 HydrophobicContact CG2-CE2 4.33Å; A137-Y141 HydrophobicContact CB-CD2 4.11Å; A137-Y141 HydrophobicContact CB-CE2 4.1Å; A137-Y141 WeakPolarHBondContact O-CD2 3.25Å; A137-Y141 PolarHBondContact O-N 3.04Å; I139-Y141 PolarHBondContact O-N 3.29Å; Y141-R144 PolarHBondContact O-N 3.04Å; Y141-L145 VanDerWaalsContact O-CG 3.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.35Å; Y141-L145 PolarHBondContact O-N 2.88Å; Y141-F171 HydrophobicContact CD2-CE1 4.48Å; Y141-F171 HydrophobicContact CD2-CE2 4.33Å; Y141-F171 AromaticContact CD2-CZ 3.61Å; Y141-F171 HydrophobicContact CD2-CZ 3.61Å; Y141-F171 HydrophobicContact CE2-CZ 4.32Å; Y141-F171 HydrophobicContact CG-CZ 4.26Å; Y141-I211 HydrophobicContact CD1-CG2 4.23Å; Y141-I211 WeakPolarHBondContact CD1-O 3.34Å; Y141-I211 VanDerWaalsContact CE1-O 3.3Å; Y141-I211 WeakPolarHBondContact CE1-O 3.32Å; Y141-L212 HydrophobicContact CD1-CD2 3.86Å; Y141-L212 HydrophobicContact CG-CD2 4Å; Y141-P213 VanDerWaalsContact CE1-CD 3.42Å; Y141-P213 HydrophobicContact CE1-CG 3.78Å; Y141-P213 HydrophobicContact CE2-CG 4.43Å; Y141-P213 WeakPolarHBondContact OH-CG 3.44Å; Y141-W216 HydrophobicContact CD2-CZ3 4.07Å; Y141-W216 HydrophobicContact CE2-CE3 4.39Å; Y141-W216 HydrophobicContact CE2-CH2 4.06Å; Y141-W216 AromaticContact CE2-CZ3 3.38Å; Y141-W216 HydrophobicContact CE2-CZ3 3.38Å; Y141-W216 AromaticContact CZ-CZ3 3.83Å
142A98.9Very high98.7Very high0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-59.2-48.7169.600000111.2P138 I139 R144 L145 V146 S167 V169P138-A142 WeakPolarHBondContact O-CB 3.31Å; P138-A142 PolarHBondContact O-N 2.76Å; P138-A142 VanDerWaalsContact O-N 3.1Å; I139-A142 PolarHBondContact O-N 3.47Å; A142-R144 PolarHBondContact O-N 2.86Å; A142-L145 PolarHBondContact O-N 3.26Å; A142-V146 PolarHBondContact O-N 2.77Å; A142-S167 PolarHBondContact O-OG 2.98Å; A142-V169 HydrophobicContact CB-CG2 4.28Å
143H98.9Very high98.8Very high10 Ų1019.8 Ų19.85%0.0469%0.088CC..Hα-helixtrans-57.1-50.1174.8-74.6-47.6000113S10 I139 T140 L145 V146 Q147 V249 Y358 G359S10-H143 PolarHBondContact OG-CE1 3.38Å; S10-H143 PolarHBondContact OG-ND1 2.63Å; I139-H143 WeakPolarHBondContact CD1-NE2 3.38Å; I139-H143 WeakPolarHBondContact CG1-NE2 3.4Å; I139-H143 PolarHBondContact O-CD2 2.92Å; I139-H143 VanDerWaalsContact O-CD2 3.25Å; I139-H143 PolarHBondContact O-N 3.49Å; T140-H143 PolarHBondContact O-N 2.93Å; H143-L145 VanDerWaalsContact C-N 3.25Å; H143-L145 PolarHBondContact O-N 3.37Å; H143-V146 VanDerWaalsContact O-CG2 3.26Å; H143-V146 WeakPolarHBondContact O-CG2 3.21Å; H143-V146 PolarHBondContact O-N 2.86Å; H143-Q147 WeakPolarHBondContact O-CB 3.44Å; H143-Q147 PolarHBondContact O-N 2.73Å; H143-V249 PolarHBondContact CE1-O 2.83Å; H143-V249 PolarHBondContact NE2-O 3.47Å; H143-Y358 VanDerWaalsContact ND1-C 3.34Å; H143-G359 VanDerWaalsContact CE1-CA 3.48Å; H143-G359 WeakPolarHBondContact CE1-CA 3.32Å; H143-G359 PolarHBondContact CE1-N 3.45Å; H143-G359 VanDerWaalsContact CE1-N 3.31Å; H143-G359 WeakPolarHBondContact NE2-CA 3.28Å
144R98.8Very high98.8Very high71 Ų7124.7 Ų24.727%0.26811%0.108SC..Hα-helixtrans-60.7-34.1-178.2-71.5177.2179.6178.72.1112.1D132 T140 Y141 A142 R148 I211D132-R144 IonicContact OD1-NH2 3.31Å; D132-R144 PolarHBondContact OD1-NH2 2.82Å; D132-R144 IonicContact OD2-NH2 3.18Å; T140-R144 WeakPolarHBondContact O-CG 3.27Å; T140-R144 PolarHBondContact O-N 3.28Å; Y141-R144 PolarHBondContact O-N 3.04Å; A142-R144 PolarHBondContact O-N 2.86Å; R144-R148 VanDerWaalsContact O-CB 3.27Å; R144-R148 WeakPolarHBondContact O-CB 3.06Å; R144-R148 PolarHBondContact O-N 2.72Å; R144-I211 HydrophobicContact CB-CD1 4.44Å; R144-I211 HydrophobicContact CB-CG2 3.44Å; R144-I211 VanDerWaalsContact CB-CG2 3.44Å
145L98.9Very high98.7Very high0 Ų027.5 Ų27.50%012%0.124CC..Hα-helixtrans-64.4-49.5176.8-75.3169.2000112.5Y141 A142 H143 R148 Q149 V169 V184 L186 I207 I208 I211 L212Y141-L145 VanDerWaalsContact O-CG 3.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.35Å; Y141-L145 PolarHBondContact O-N 2.88Å; A142-L145 PolarHBondContact O-N 3.26Å; H143-L145 VanDerWaalsContact C-N 3.25Å; H143-L145 PolarHBondContact O-N 3.37Å; L145-R148 PolarHBondContact O-N 2.74Å; L145-Q149 PolarHBondContact O-N 3.1Å; L145-V169 HydrophobicContact CD1-CG2 3.56Å; L145-V184 HydrophobicContact CD1-CG1 4.09Å; L145-L186 HydrophobicContact CB-CD1 4.38Å; L145-L186 HydrophobicContact CD2-CD1 4.4Å; L145-I207 HydrophobicContact CD2-CG2 4.28Å; L145-I207 WeakPolarHBondContact O-CG2 3.31Å; L145-I208 HydrophobicContact CD2-CB 4.46Å; L145-I208 HydrophobicContact CD2-CG1 4.17Å; L145-I211 HydrophobicContact CD2-CB 4.08Å; L145-I211 HydrophobicContact CD2-CG2 4.07Å; L145-I211 HydrophobicContact CG-CG2 4.11Å; L145-L212 HydrophobicContact CD1-CD2 4.31Å; L145-L212 HydrophobicContact CD2-CG 4.37Å; L145-L212 HydrophobicContact CG-CD2 4.44Å
146V98.8Very high98.7Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-73.2-28.6178.4-710000112.7A142 H143 Q149 A150 S167 Y358A142-V146 PolarHBondContact O-N 2.77Å; H143-V146 VanDerWaalsContact O-CG2 3.26Å; H143-V146 WeakPolarHBondContact O-CG2 3.21Å; H143-V146 PolarHBondContact O-N 2.86Å; V146-Q149 PolarHBondContact O-N 3.27Å; V146-A150 PolarHBondContact O-N 3.15Å; V146-A150 VanDerWaalsContact O-N 3.07Å; V146-S167 WeakPolarHBondContact CG1-OG 3.31Å; V146-Y358 HydrophobicContact CG2-CD1 4.04Å; V146-Y358 HydrophobicContact CG2-CE1 4.25Å
147Q98.7Very high98.7Very high92 Ų9232.5 Ų32.543%0.4316%0.162SC..Hα-helixtrans-65.4-44.3171.4-170.1178.918.700110.9H143 Q149 A150 E151 Y358H143-Q147 WeakPolarHBondContact O-CB 3.44Å; H143-Q147 PolarHBondContact O-N 2.73Å; Q147-Q149 PolarHBondContact O-N 3.22Å; Q147-A150 PolarHBondContact O-N 3.31Å; Q147-E151 PolarHBondContact O-N 2.94Å; Q147-Y358 HydrophobicContact CB-CD1 3.79Å; Q147-Y358 HydrophobicContact CB-CE1 4.05Å; Q147-Y358 HydrophobicContact CB-CG 4.17Å; Q147-Y358 HydrophobicContact CG-CD1 4.3Å; Q147-Y358 HydrophobicContact CG-CD2 4.43Å; Q147-Y358 HydrophobicContact CG-CE1 4.49Å; Q147-Y358 HydrophobicContact CG-CG 4.27Å
148R98.8Very high98.7Very high46 Ų4633.1 Ų33.117%0.17417%0.165CC..Hα-helixtrans-63.6-39.6175-179.359.7-179.3177.53.8112.1R144 L145 A150 E151 V152 E206 I207 I211R144-R148 VanDerWaalsContact O-CB 3.27Å; R144-R148 WeakPolarHBondContact O-CB 3.06Å; R144-R148 PolarHBondContact O-N 2.72Å; L145-R148 PolarHBondContact O-N 2.74Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 3.11Å; R148-E151 VanDerWaalsContact CD-OE2 3.32Å; R148-E151 WeakPolarHBondContact CD-OE2 3.38Å; R148-E151 IonicContact CZ-OE2 2.68Å; R148-E151 IonicContact NE-OE2 3.84Å; R148-E151 IonicContact NH1-OE1 2.75Å; R148-E151 PolarHBondContact NH1-OE1 3.3Å; R148-E151 IonicContact NH1-OE2 2.73Å; R148-E151 PolarHBondContact NH1-OE2 3Å; R148-E151 WeakPolarHBondContact O-CB 3.32Å; R148-E151 PolarHBondContact O-N 3.34Å; R148-V152 WeakPolarHBondContact O-CG2 3.4Å; R148-V152 PolarHBondContact O-N 2.95Å; R148-E206 PolarHBondContact NE-O 3.11Å; R148-E206 IonicContact NH2-OE2 2.78Å; R148-I207 HydrophobicContact CB-CG2 4.16Å; R148-I207 HydrophobicContact CG-CB 4.31Å; R148-I207 HydrophobicContact CG-CG1 4.41Å; R148-I207 HydrophobicContact CG-CG2 4.07Å; R148-I211 HydrophobicContact CB-CD1 3.85Å; R148-I211 HydrophobicContact CB-CG1 3.68Å; R148-I211 HydrophobicContact CG-CD1 4.09Å; R148-I211 HydrophobicContact CG-CG1 3.83Å
149Q98.8Very high98.6Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-56.6-45.7172.5-175.4-81.8-15.200111.5L145 V146 Q147 V152 R153 L161 R162 A165 T188 I207L145-Q149 PolarHBondContact O-N 3.1Å; V146-Q149 PolarHBondContact O-N 3.27Å; Q147-Q149 PolarHBondContact O-N 3.22Å; Q149-V152 WeakPolarHBondContact O-CG2 3.49Å; Q149-R153 WeakPolarHBondContact O-CB 3.43Å; Q149-R153 PolarHBondContact O-N 3.23Å; Q149-R153 VanDerWaalsContact O-N 3.14Å; Q149-L161 HydrophobicContact CG-CD1 4.27Å; Q149-R162 PolarHBondContact NE2-O 2.59Å; Q149-R162 VanDerWaalsContact NE2-O 3.15Å; Q149-A165 HydrophobicContact CG-CB 3.86Å; Q149-T188 PolarHBondContact NE2-OG1 3.47Å; Q149-I207 HydrophobicContact CB-CD1 3.97Å; Q149-I207 HydrophobicContact CB-CG2 4.47Å; Q149-I207 HydrophobicContact CG-CD1 4.03Å
150A98.8Very high98.5Very high3 Ų339.9 Ų39.93%0.02520%0.204CC..Hα-helixtrans-66.7-38.8178.600000111.9V146 Q147 R148 R153 K154 Y358V146-A150 PolarHBondContact O-N 3.15Å; V146-A150 VanDerWaalsContact O-N 3.07Å; Q147-A150 PolarHBondContact O-N 3.31Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 3.11Å; A150-R153 PolarHBondContact O-N 3.32Å; A150-K154 VanDerWaalsContact O-CB 3.32Å; A150-K154 WeakPolarHBondContact O-CB 3.37Å; A150-K154 WeakPolarHBondContact O-CG 3.48Å; A150-K154 PolarHBondContact O-N 3.03Å; A150-Y358 WeakPolarHBondContact CB-OH 3.45Å
151E98.7Very high98.5Very high95 Ų9539.9 Ų39.944%0.44420%0.204SC..Hα-helixtrans-59.3-55.1176.1-170.7-160.5154.800111.8Q147 R148 R153 K154 N155Q147-E151 PolarHBondContact O-N 2.94Å; R148-E151 VanDerWaalsContact CD-OE2 3.32Å; R148-E151 WeakPolarHBondContact CD-OE2 3.38Å; R148-E151 IonicContact CZ-OE2 2.68Å; R148-E151 IonicContact NE-OE2 3.84Å; R148-E151 IonicContact NH1-OE1 2.75Å; R148-E151 PolarHBondContact NH1-OE1 3.3Å; R148-E151 IonicContact NH1-OE2 2.73Å; R148-E151 PolarHBondContact NH1-OE2 3Å; R148-E151 WeakPolarHBondContact O-CB 3.32Å; R148-E151 PolarHBondContact O-N 3.34Å; E151-R153 PolarHBondContact O-N 2.83Å; E151-K154 PolarHBondContact O-N 3.3Å; E151-K154 VanDerWaalsContact O-N 3.16Å; E151-N155 PolarHBondContact O-N 2.97Å; E151-N155 PolarHBondContact O-ND2 2.81Å; E151-N155 PolarHBondContact O-OD1 3.49Å
152V98.7Very high98.5Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-69.4-21.1-176.9-58.50000113.3R148 Q149 N155 T157 L158 L161 I207R148-V152 WeakPolarHBondContact O-CG2 3.4Å; R148-V152 PolarHBondContact O-N 2.95Å; Q149-V152 WeakPolarHBondContact O-CG2 3.49Å; V152-N155 VanDerWaalsContact CA-OD1 3.27Å; V152-N155 WeakPolarHBondContact CA-OD1 3.27Å; V152-N155 PolarHBondContact O-OD1 2.91Å; V152-N155 VanDerWaalsContact O-OD1 3.05Å; V152-T157 HydrophobicContact CB-CG2 4.47Å; V152-T157 PolarHBondContact O-N 3.44Å; V152-T157 VanDerWaalsContact O-N 3.16Å; V152-L158 HydrophobicContact CB-CG 4.47Å; V152-L158 HydrophobicContact CG2-CB 4.41Å; V152-L158 HydrophobicContact CG2-CD1 3.95Å; V152-L158 HydrophobicContact CG2-CG 4.24Å; V152-L158 PolarHBondContact O-N 2.86Å; V152-L161 HydrophobicContact CG2-CD1 3.7Å; V152-I207 HydrophobicContact CG2-CD1 4.02Å; V152-I207 HydrophobicContact CG2-CG1 3.9Å
153R98.6Very high98.4Very high28 Ų2840.5 Ų40.511%0.10621%0.206CC..Hα-helixtrans-72.9-53.5167.7174.3178.356.985.7-3110.9E13 I76 Q149 A150 E151 N155 G156 L161 R162E13-R153 IonicContact OE1-CZ 2.72Å; E13-R153 IonicContact OE1-NH2 2.74Å; E13-R153 PolarHBondContact OE1-NH2 2.8Å; I76-R153 PolarHBondContact O-NH1 3.48Å; I76-R153 PolarHBondContact O-NH2 2.85Å; Q149-R153 WeakPolarHBondContact O-CB 3.43Å; Q149-R153 PolarHBondContact O-N 3.23Å; Q149-R153 VanDerWaalsContact O-N 3.14Å; A150-R153 PolarHBondContact O-N 3.32Å; E151-R153 PolarHBondContact O-N 2.83Å; R153-N155 PolarHBondContact O-N 3.45Å; R153-G156 PolarHBondContact O-N 2.92Å; R153-L161 HydrophobicContact CB-CB 3.81Å; R153-L161 HydrophobicContact CB-CD1 4.05Å; R153-L161 HydrophobicContact CG-CB 3.93Å; R153-R162 VanDerWaalsContact CD-C 3.45Å; R153-R162 WeakPolarHBondContact CD-O 3.3Å
154K98.4Very high98.4Very high116 Ų11640 Ų4050%0.50420%0.204SC..Hα-helixtrans-66.7-33.6-174.3-78.8178.3163.9171.20113E13 E75 A150 E151 G156E13-K154 WeakPolarHBondContact OE1-CE 3.4Å; E13-K154 IonicContact OE1-NZ 3.23Å; E13-K154 PolarHBondContact OE1-NZ 3.35Å; E13-K154 IonicContact OE2-NZ 3.62Å; E13-K154 PolarHBondContact OE2-NZ 2.9Å; E75-K154 WeakPolarHBondContact O-CE 3.46Å; E75-K154 PolarHBondContact O-NZ 3.2Å; A150-K154 VanDerWaalsContact O-CB 3.32Å; A150-K154 WeakPolarHBondContact O-CB 3.37Å; A150-K154 WeakPolarHBondContact O-CG 3.48Å; A150-K154 PolarHBondContact O-N 3.03Å; E151-K154 PolarHBondContact O-N 3.3Å; E151-K154 VanDerWaalsContact O-N 3.16Å; K154-G156 VanDerWaalsContact C-N 3.33Å
155N98.2Very high98.4Very high86 Ų8636.7 Ų36.746%0.4619%0.191SC..THydrogen-bonded Turntrans-85.4-4.8177.971.714.3000113.7E151 V152 R153 T157E151-N155 PolarHBondContact O-N 2.97Å; E151-N155 PolarHBondContact O-ND2 2.81Å; E151-N155 PolarHBondContact O-OD1 3.49Å; V152-N155 VanDerWaalsContact CA-OD1 3.27Å; V152-N155 WeakPolarHBondContact CA-OD1 3.27Å; V152-N155 PolarHBondContact O-OD1 2.91Å; V152-N155 VanDerWaalsContact O-OD1 3.05Å; R153-N155 PolarHBondContact O-N 3.45Å; N155-T157 VanDerWaalsContact OD1-CB 3.31Å; N155-T157 WeakPolarHBondContact OD1-CB 3.26Å; N155-T157 PolarHBondContact OD1-N 2.83Å; N155-T157 PolarHBondContact OD1-OG1 2.62Å
156G98Very high98.4Very high39 Ų3940 Ų4040%0.40221%0.206SC..SBendtrans79.96.7177.900000115.8R153 K154 L158 P159R153-G156 PolarHBondContact O-N 2.92Å; K154-G156 VanDerWaalsContact C-N 3.33Å; G156-L158 VanDerWaalsContact C-N 3.28Å; G156-L158 PolarHBondContact O-N 3.2Å; G156-P159 WeakPolarHBondContact O-CD 3.32Å
157T98.4Very high98.4Very high67 Ų6740.1 Ų40.141%0.41121%0.207SC..SBendtrans-56.9-43.5173.3-66.60000111V152 N155 P159 E206V152-T157 HydrophobicContact CB-CG2 4.47Å; V152-T157 PolarHBondContact O-N 3.44Å; V152-T157 VanDerWaalsContact O-N 3.16Å; N155-T157 VanDerWaalsContact OD1-CB 3.31Å; N155-T157 WeakPolarHBondContact OD1-CB 3.26Å; N155-T157 PolarHBondContact OD1-N 2.83Å; N155-T157 PolarHBondContact OD1-OG1 2.62Å; T157-P159 WeakPolarHBondContact O-CD 3.14Å; T157-E206 HydrophobicContact CG2-CG 4.33Å
158L98.3Very high98.4Very high13 Ų1339 Ų397%0.06820%0.202CC..SBendtrans-119.981.4174.1-62.1-175.5000109.8V152 G156 W160 L161 A202 E206 I207V152-L158 HydrophobicContact CB-CG 4.47Å; V152-L158 HydrophobicContact CG2-CB 4.41Å; V152-L158 HydrophobicContact CG2-CD1 3.95Å; V152-L158 HydrophobicContact CG2-CG 4.24Å; V152-L158 PolarHBondContact O-N 2.86Å; G156-L158 VanDerWaalsContact C-N 3.28Å; G156-L158 PolarHBondContact O-N 3.2Å; L158-W160 HydrophobicContact CB-CZ2 4.08Å; L158-W160 HydrophobicContact CD1-CH2 4.24Å; L158-W160 HydrophobicContact CD1-CZ2 3.91Å; L158-W160 HydrophobicContact CD2-CZ2 3.84Å; L158-W160 HydrophobicContact CG-CZ2 4.17Å; L158-W160 PolarHBondContact O-N 3.44Å; L158-L161 HydrophobicContact CB-CD1 3.61Å; L158-L161 HydrophobicContact CB-CG 3.81Å; L158-L161 HydrophobicContact CD1-CD1 3.93Å; L158-L161 HydrophobicContact CD1-CG 4.47Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.31Å; L158-L161 VanDerWaalsContact O-N 3.14Å; L158-A202 HydrophobicContact CD1-CB 4.25Å; L158-A202 HydrophobicContact CD2-CB 3.89Å; L158-E206 HydrophobicContact CD1-CB 4.03Å; L158-E206 HydrophobicContact CD1-CG 4.38Å; L158-E206 HydrophobicContact CD2-CG 4.25Å; L158-E206 HydrophobicContact CG-CB 4.48Å; L158-E206 HydrophobicContact CG-CG 4.44Å; L158-I207 HydrophobicContact CD1-CD1 4.37Å
159P97Very high98.4Very high103 Ų10336.8 Ų36.867%0.66919%0.193SC*.THydrogen-bonded Turntrans-71.6-14.5-167.229.4-36.2000114.2G156 T157 L161G156-P159 WeakPolarHBondContact O-CD 3.32Å; T157-P159 WeakPolarHBondContact O-CD 3.14Å; P159-L161 VanDerWaalsContact C-N 3.34Å
160W97.3Very high98.4Very high39 Ų3937.4 Ų37.415%0.14820%0.197CC..THydrogen-bonded Turntrans-83.8-8.4176.747.8-97.6000112.9L158 H190 S191 I194 L199 A202 V203L158-W160 HydrophobicContact CB-CZ2 4.08Å; L158-W160 HydrophobicContact CD1-CH2 4.24Å; L158-W160 HydrophobicContact CD1-CZ2 3.91Å; L158-W160 HydrophobicContact CD2-CZ2 3.84Å; L158-W160 HydrophobicContact CG-CZ2 4.17Å; L158-W160 PolarHBondContact O-N 3.44Å; W160-H190 HydrophobicContact CE3-CB 3.83Å; W160-H190 HydrophobicContact CZ3-CB 4.16Å; W160-H190 CarbonylContact O-C 3.5Å; W160-H190 VanDerWaalsContact O-CA 3.3Å; W160-H190 WeakPolarHBondContact O-CA 3.45Å; W160-S191 WeakPolarHBondContact CB-OG 3.24Å; W160-S191 PolarHBondContact O-N 3.01Å; W160-I194 HydrophobicContact CB-CB 4.49Å; W160-I194 HydrophobicContact CB-CG2 4.42Å; W160-I194 HydrophobicContact CD2-CB 4.18Å; W160-I194 HydrophobicContact CD2-CD1 3.44Å; W160-I194 VanDerWaalsContact CD2-CD1 3.44Å; W160-I194 HydrophobicContact CD2-CG1 4.4Å; W160-I194 HydrophobicContact CD2-CG2 3.97Å; W160-I194 HydrophobicContact CE3-CB 4.39Å; W160-I194 HydrophobicContact CE3-CD1 3.86Å; W160-I194 HydrophobicContact CE3-CG2 3.69Å; W160-I194 HydrophobicContact CG-CB 4.2Å; W160-I194 HydrophobicContact CG-CD1 3.99Å; W160-I194 HydrophobicContact CG-CG2 4.28Å; W160-I194 HydrophobicContact CH2-CD1 3.7Å; W160-I194 HydrophobicContact CZ2-CD1 3.28Å; W160-I194 HydrophobicContact CZ3-CD1 3.96Å; W160-I194 HydrophobicContact CZ3-CG2 4.23Å; W160-L199 HydrophobicContact CH2-CB 4.27Å; W160-L199 HydrophobicContact CH2-CD1 4.42Å; W160-L199 HydrophobicContact CH2-CG 3.87Å; W160-L199 HydrophobicContact CZ3-CB 4.41Å; W160-L199 HydrophobicContact CZ3-CD1 3.83Å; W160-L199 HydrophobicContact CZ3-CG 3.79Å; W160-A202 HydrophobicContact CH2-CB 4.26Å; W160-A202 HydrophobicContact CZ2-CB 3.67Å; W160-V203 HydrophobicContact CH2-CG2 4.42Å
161L98.3Very high98.4Very high9 Ų937.3 Ų37.35%0.04720%0.196CC..EExtended strand (participates in β ladder)trans-68.3142.4174.5-72.1177.2000111.3Q149 V152 R153 L158 P159 T188 I207Q149-L161 HydrophobicContact CG-CD1 4.27Å; V152-L161 HydrophobicContact CG2-CD1 3.7Å; R153-L161 HydrophobicContact CB-CB 3.81Å; R153-L161 HydrophobicContact CB-CD1 4.05Å; R153-L161 HydrophobicContact CG-CB 3.93Å; L158-L161 HydrophobicContact CB-CD1 3.61Å; L158-L161 HydrophobicContact CB-CG 3.81Å; L158-L161 HydrophobicContact CD1-CD1 3.93Å; L158-L161 HydrophobicContact CD1-CG 4.47Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.31Å; L158-L161 VanDerWaalsContact O-N 3.14Å; P159-L161 VanDerWaalsContact C-N 3.34Å; L161-T188 HydrophobicContact CD2-CG2 3.64Å; L161-T188 WeakPolarHBondContact CD2-OG1 3.47Å; L161-I207 HydrophobicContact CD1-CD1 4.45Å
162R98.3Very high98.4Very high32 Ų3235.6 Ų35.612%0.12119%0.188CC..EExtended strand (participates in β ladder)trans-112.4166.9172.6-68.8-179.3173.8-166.2-10.6110.5D82 M83 Q149 R153 D164 Q189 H190 V232D82-R162 VanDerWaalsContact O-CZ 3.27Å; D82-R162 PolarHBondContact O-NH1 3.3Å; D82-R162 PolarHBondContact O-NH2 2.97Å; M83-R162 HydrophobicContact CG-CG 4.44Å; Q149-R162 PolarHBondContact NE2-O 2.59Å; Q149-R162 VanDerWaalsContact NE2-O 3.15Å; R153-R162 VanDerWaalsContact CD-C 3.45Å; R153-R162 WeakPolarHBondContact CD-O 3.3Å; R162-D164 PolarHBondContact O-N 3.23Å; R162-Q189 HydrophobicContact CB-CB 3.82Å; R162-Q189 VanDerWaalsContact CB-CD 3.45Å; R162-Q189 HydrophobicContact CB-CG 3.62Å; R162-Q189 HydrophobicContact CG-CG 4.42Å; R162-Q189 PolarHBondContact N-O 3.18Å; R162-H190 WeakPolarHBondContact CD-O 3.47Å; R162-V232 PolarHBondContact NH1-O 3.48Å
163P98.4Very high98.3Very high1 Ų136 Ų361%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-62.3-35.2-166.8-26.535.9000116.2S12 G14 I76 Y78 M83S12-P163 PolarHBondContact OG-O 3.47Å; G14-P163 WeakPolarHBondContact CA-O 3.35Å; I76-P163 HydrophobicContact CG2-CB 4.18Å; Y78-P163 HydrophobicContact CD1-CG 4.24Å; Y78-P163 HydrophobicContact CD2-CB 4.26Å; Y78-P163 HydrophobicContact CD2-CG 4.26Å; Y78-P163 HydrophobicContact CE1-CB 4.29Å; Y78-P163 HydrophobicContact CE1-CG 4.1Å; Y78-P163 HydrophobicContact CE2-CB 3.7Å; Y78-P163 HydrophobicContact CE2-CG 4.11Å; Y78-P163 HydrophobicContact CG-CG 4.32Å; M83-P163 HydrophobicContact SD-CG 4.34Å
164D98.5Very high98.2Very high1 Ų137.5 Ų37.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-78.7123.6-173.4-166.6-2.3000112.6H15 R162 Q189 F231 G235H15-D164 IonicContact CD2-OD1 2.9Å; R162-D164 PolarHBondContact O-N 3.23Å; D164-Q189 HydrophobicContact CB-CB 4.02Å; D164-Q189 WeakPolarHBondContact O-CB 3.27Å; D164-Q189 PolarHBondContact O-N 2.87Å; D164-F231 HydrophobicContact CB-CZ 4.37Å; D164-G235 PolarHBondContact OD2-N 3.01Å
165A98.7Very high97.8Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-148.8154.8173.400000112.2V11 S12 Q149 S187V11-A165 CarbonylContact C-O 3.48Å; V11-A165 WeakPolarHBondContact CA-O 3.26Å; S12-A165 PolarHBondContact N-O 3.38Å; S12-A165 PolarHBondContact OG-N 2.99Å; S12-A165 PolarHBondContact OG-O 2.83Å; Q149-A165 HydrophobicContact CG-CB 3.86Å; A165-S187 CarbonylContact C-O 3.6Å; A165-S187 WeakPolarHBondContact CA-O 3.42Å
166K98.8Very high97.4Very high70 Ų7034.6 Ų34.630%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-135.1138.4-179.4-51.8-179.4-179.7173.80108.9S10 V11 L186 S187 D239S10-K166 WeakPolarHBondContact O-CA 3.33Å; V11-K166 HydrophobicContact CG1-CB 4.43Å; V11-K166 HydrophobicContact CG1-CG 4.05Å; K166-L186 WeakPolarHBondContact O-CA 3.14Å; K166-S187 PolarHBondContact N-O 3.3Å; K166-S187 PolarHBondContact O-N 2.89Å; K166-D239 IonicContact NZ-OD2 2.8Å
167S98.8Very high97.3Very high3 Ų340.1 Ų40.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-126.9145.7173.761.40000110.7E9 S10 A142 V146 V185E9-S167 CarbonylContact C-O 3.55Å; E9-S167 WeakPolarHBondContact CA-O 3.17Å; E9-S167 WeakPolarHBondContact CB-O 3.37Å; S10-S167 PolarHBondContact N-O 2.99Å; S10-S167 PolarHBondContact O-N 3.29Å; A142-S167 PolarHBondContact O-OG 2.98Å; V146-S167 WeakPolarHBondContact CG1-OG 3.31Å; S167-V185 CarbonylContact C-O 3.54Å; S167-V185 VanDerWaalsContact CA-O 3.3Å; S167-V185 WeakPolarHBondContact CA-O 3.13Å
168Q98.9Very high97.2Very high68 Ų6838.5 Ų38.532%0.31820%0.199SC..EExtended strand (participates in β ladder)trans-138.8134.8171.4-173.4-173-79.100109T7 S8 E9 V184 V185T7-Q168 HydrophobicContact CG2-CG 3.32Å; S8-Q168 WeakPolarHBondContact O-CA 3.49Å; E9-Q168 HydrophobicContact CB-CB 4.19Å; E9-Q168 HydrophobicContact CB-CG 4.2Å; Q168-V184 WeakPolarHBondContact O-CA 3.22Å; Q168-V185 HydrophobicContact CB-CB 4.01Å; Q168-V185 HydrophobicContact CB-CG2 4.24Å; Q168-V185 PolarHBondContact N-O 2.96Å; Q168-V185 PolarHBondContact O-N 3.16Å
169V98.7Very high97.1Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-129.4127179.7-164.20000109.9T7 S8 A142 L145 F171 I181 V184T7-V169 WeakPolarHBondContact CA-O 3.48Å; S8-V169 PolarHBondContact N-O 2.86Å; S8-V169 VanDerWaalsContact N-O 3.16Å; S8-V169 PolarHBondContact O-N 3.41Å; A142-V169 HydrophobicContact CB-CG2 4.28Å; L145-V169 HydrophobicContact CD1-CG2 3.56Å; V169-F171 HydrophobicContact CB-CD2 4.34Å; V169-F171 HydrophobicContact CB-CE2 4.07Å; V169-F171 HydrophobicContact CG1-CD2 3.71Å; V169-F171 HydrophobicContact CG1-CE2 3.36Å; V169-F171 HydrophobicContact CG1-CZ 4.4Å; V169-I181 HydrophobicContact CG1-CD1 4.28Å; V169-I181 HydrophobicContact CG1-CG1 4.4Å; V169-I181 HydrophobicContact CG1-CG2 3.9Å; V169-V184 HydrophobicContact CG1-CG2 4.41Å
170T98.8Very high97.2Very high13 Ų1336.7 Ų36.78%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-107.2112.6177.1-58.40000109.6L5 F6 T7 I181 D182 A183L5-T170 HydrophobicContact CB-CG2 3.94Å; L5-T170 HydrophobicContact CD1-CG2 4.28Å; L5-T170 HydrophobicContact CD2-CG2 4.49Å; L5-T170 HydrophobicContact CG-CG2 4.47Å; F6-T170 CarbonylContact O-C 3.57Å; F6-T170 WeakPolarHBondContact O-CA 3.44Å; T7-T170 WeakPolarHBondContact CG2-OG1 3.48Å; T7-T170 WeakPolarHBondContact OG1-CB 3.32Å; T7-T170 WeakPolarHBondContact OG1-CG2 3.29Å; T7-T170 PolarHBondContact OG1-OG1 2.81Å; T170-I181 CarbonylContact O-C 3.51Å; T170-D182 HydrophobicContact CG2-CB 4.13Å; T170-D182 PolarHBondContact O-N 2.86Å; T170-A183 PolarHBondContact N-O 3.14Å; T170-A183 PolarHBondContact O-N 3.01Å
171F98.4Very high97.2Very high0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-92.8148.5178-84.3-110.6000111.6L5 F6 A137 P138 Y141 V169 Y173 I178 I181 W216L5-F171 WeakPolarHBondContact CA-O 3.48Å; F6-F171 PolarHBondContact N-O 2.9Å; F6-F171 PolarHBondContact O-N 2.94Å; A137-F171 HydrophobicContact CB-CD1 4.28Å; A137-F171 HydrophobicContact CB-CE1 3.76Å; A137-F171 HydrophobicContact CB-CZ 3.99Å; P138-F171 HydrophobicContact CB-CD2 3.89Å; P138-F171 HydrophobicContact CB-CE2 4.37Å; P138-F171 HydrophobicContact CG-CB 3.94Å; P138-F171 HydrophobicContact CG-CD2 3.68Å; P138-F171 HydrophobicContact CG-CE2 4.37Å; P138-F171 HydrophobicContact CG-CG 3.84Å; Y141-F171 HydrophobicContact CD2-CE1 4.48Å; Y141-F171 HydrophobicContact CD2-CE2 4.33Å; Y141-F171 AromaticContact CD2-CZ 3.61Å; Y141-F171 HydrophobicContact CD2-CZ 3.61Å; Y141-F171 HydrophobicContact CE2-CZ 4.32Å; Y141-F171 HydrophobicContact CG-CZ 4.26Å; V169-F171 HydrophobicContact CB-CD2 4.34Å; V169-F171 HydrophobicContact CB-CE2 4.07Å; V169-F171 HydrophobicContact CG1-CD2 3.71Å; V169-F171 HydrophobicContact CG1-CE2 3.36Å; V169-F171 HydrophobicContact CG1-CZ 4.4Å; F171-Y173 HydrophobicContact CB-CD2 4.16Å; F171-Y173 HydrophobicContact CB-CE2 3.57Å; F171-I178 HydrophobicContact CD1-CD1 4.14Å; F171-I178 HydrophobicContact CD1-CG1 4.11Å; F171-I178 HydrophobicContact CD1-CG2 3.63Å; F171-I178 HydrophobicContact CE1-CD1 4.22Å; F171-I178 HydrophobicContact CE1-CG2 3.96Å; F171-I181 HydrophobicContact CD1-CG1 4.21Å; F171-I181 HydrophobicContact CD2-CG1 4.3Å; F171-I181 HydrophobicContact CE1-CD1 4.32Å; F171-I181 HydrophobicContact CE1-CG1 3.94Å; F171-I181 HydrophobicContact CE2-CD1 4.21Å; F171-I181 HydrophobicContact CE2-CG1 4.05Å; F171-I181 HydrophobicContact CG-CG1 4.37Å; F171-I181 HydrophobicContact CZ-CD1 3.86Å; F171-I181 HydrophobicContact CZ-CG1 3.84Å; F171-W216 HydrophobicContact CE1-CD2 4.3Å; F171-W216 AromaticContact CE1-CE3 3.48Å; F171-W216 HydrophobicContact CE1-CE3 3.48Å; F171-W216 VanDerWaalsContact CE1-CE3 3.48Å; F171-W216 HydrophobicContact CE1-CH2 4.27Å; F171-W216 AromaticContact CE1-CZ3 3.45Å; F171-W216 HydrophobicContact CE1-CZ3 3.45Å; F171-W216 VanDerWaalsContact CE1-CZ3 3.45Å; F171-W216 AromaticContact CZ-CE3 3.97Å; F171-W216 HydrophobicContact CZ-CE3 3.97Å; F171-W216 AromaticContact CZ-CZ3 3.9Å; F171-W216 HydrophobicContact CZ-CZ3 3.9Å
172Q98Very high97.2Very high60 Ų6036 Ų3628%0.2819%0.185SC..EExtended strand (participates in β ladder)trans-98.8127.8171.5-53.8-174.138.800109.1L5 V179 G180 D182L5-Q172 HydrophobicContact CD2-CB 4.17Å; L5-Q172 HydrophobicContact CD2-CG 3.61Å; Q172-V179 HydrophobicContact CB-CG2 3.72Å; Q172-V179 WeakPolarHBondContact O-CG2 3.26Å; Q172-V179 PolarHBondContact O-N 3Å; Q172-G180 PolarHBondContact N-O 3.46Å; Q172-D182 HydrophobicContact CG-CB 3.86Å
173Y97.2Very high97.2Very high8 Ų834.9 Ų34.93%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-115.6137.7175.7-71.7-98.8000110.7K3 H4 F6 E130 P138 F171 K177 I178 M255K3-Y173 VanDerWaalsContact CA-O 3.27Å; K3-Y173 WeakPolarHBondContact CA-O 3.27Å; H4-Y173 VanDerWaalsContact CE1-CB 3.46Å; H4-Y173 WeakPolarHBondContact CE1-CB 3.36Å; H4-Y173 PolarHBondContact N-O 2.98Å; H4-Y173 AromaticContact NE2-CG 3.95Å; H4-Y173 PolarHBondContact O-N 3.37Å; F6-Y173 HydrophobicContact CB-CD2 4.12Å; F6-Y173 HydrophobicContact CB-CE2 3.87Å; E130-Y173 PolarHBondContact OE2-OH 3.45Å; P138-Y173 WeakPolarHBondContact CD-OH 3.39Å; P138-Y173 HydrophobicContact CG-CE2 4.28Å; P138-Y173 WeakPolarHBondContact CG-OH 3.39Å; F171-Y173 HydrophobicContact CB-CD2 4.16Å; F171-Y173 HydrophobicContact CB-CE2 3.57Å; Y173-K177 CarbonylContact C-O 3.59Å; Y173-K177 VanDerWaalsContact CA-O 3.24Å; Y173-K177 WeakPolarHBondContact CA-O 3.22Å; Y173-I178 HydrophobicContact CD1-CG1 4.08Å; Y173-I178 HydrophobicContact CE1-CD1 4.39Å; Y173-I178 HydrophobicContact CE1-CG1 3.5Å; Y173-M255 WeakPolarHBondContact OH-CE 3.32Å
174D96Very high97.3Very high60 Ų6034.8 Ų34.832%0.32118%0.183SC..EExtended strand (participates in β ladder)trans-126.6121.8168.9-164.94.6000108.8K3 G176 K177 V179K3-D174 WeakPolarHBondContact CE-OD2 3.18Å; K3-D174 HydrophobicContact CG-CB 4.09Å; K3-D174 WeakPolarHBondContact CG-OD1 2.92Å; K3-D174 IonicContact NZ-OD2 3.72Å; D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.15Å; D174-K177 PolarHBondContact N-O 3.38Å; D174-K177 WeakPolarHBondContact O-CB 3.35Å; D174-K177 PolarHBondContact O-N 3.35Å; D174-V179 HydrophobicContact CB-CG1 3.57Å; D174-V179 HydrophobicContact CB-CG2 4.25Å
175D91Very high97.3Very high109 Ų10936.2 Ų36.258%0.58319%0.192SC*.THydrogen-bonded Turntrans47.241.3-174-158.332000114.7M1 K177M1-D175 PolarHBondContact N-OD1 3.41Å; M1-D175 WeakPolarHBondContact O-CA 3.35Å; D175-K177 PolarHBondContact O-N 3.45Å
176G90.1Very high97.3Very high32 Ų3236.3 Ų36.333%0.3319%0.192SC..THydrogen-bonded Turntrans780.9-179.800000115D174D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.15Å
177K94.3Very high97.3Very high155 Ų15534 Ų3467%0.67419%0.185SC*.EExtended strand (participates in β ladder)trans-103.4142.6176.2-62.3-179-179.9178.10111.1Y173 D174 D175 V179Y173-K177 CarbonylContact C-O 3.59Å; Y173-K177 VanDerWaalsContact CA-O 3.24Å; Y173-K177 WeakPolarHBondContact CA-O 3.22Å; D174-K177 PolarHBondContact N-O 3.38Å; D174-K177 WeakPolarHBondContact O-CB 3.35Å; D174-K177 PolarHBondContact O-N 3.35Å; D175-K177 PolarHBondContact O-N 3.45Å; K177-V179 PolarHBondContact O-N 3.31Å
178I96.9Very high97.3Very high32 Ų3233.9 Ų33.916%0.16418%0.184CC..EExtended strand (participates in β ladder)trans-68127.3173.8-63.2163.4000109.2E130 A137 F171 Y173 W216E130-I178 HydrophobicContact CB-CD1 4.16Å; E130-I178 HydrophobicContact CG-CD1 4.22Å; A137-I178 HydrophobicContact CB-CD1 3.36Å; F171-I178 HydrophobicContact CD1-CD1 4.14Å; F171-I178 HydrophobicContact CD1-CG1 4.11Å; F171-I178 HydrophobicContact CD1-CG2 3.63Å; F171-I178 HydrophobicContact CE1-CD1 4.22Å; F171-I178 HydrophobicContact CE1-CG2 3.96Å; Y173-I178 HydrophobicContact CD1-CG1 4.08Å; Y173-I178 HydrophobicContact CE1-CD1 4.39Å; Y173-I178 HydrophobicContact CE1-CG1 3.5Å; I178-W216 HydrophobicContact CB-CZ2 4.32Å; I178-W216 HydrophobicContact CD1-CH2 3.93Å; I178-W216 HydrophobicContact CD1-CZ2 4.13Å; I178-W216 HydrophobicContact CG2-CD2 3.89Å; I178-W216 HydrophobicContact CG2-CE3 4.38Å; I178-W216 HydrophobicContact CG2-CG 4.27Å; I178-W216 HydrophobicContact CG2-CH2 4.38Å; I178-W216 HydrophobicContact CG2-CZ2 3.91Å
179V96.7Very high97.3Very high78 Ų7830.7 Ų30.747%0.47317%0.169SC..EExtended strand (participates in β ladder)trans-116.3-5.3175.9-62.50000113.4Q172 D174 K177Q172-V179 HydrophobicContact CB-CG2 3.72Å; Q172-V179 WeakPolarHBondContact O-CG2 3.26Å; Q172-V179 PolarHBondContact O-N 3Å; D174-V179 HydrophobicContact CB-CG1 3.57Å; D174-V179 HydrophobicContact CB-CG2 4.25Å; K177-V179 PolarHBondContact O-N 3.31Å
180G97.9Very high97.2Very high1 Ų130.9 Ų30.91%0.0117%0.17CC..EExtended strand (participates in β ladder)trans159.3-174.7174.500000113.4Q172 W216Q172-G180 PolarHBondContact N-O 3.46Å; G180-W216 WeakPolarHBondContact CA-O 3.14Å
181I98.6Very high97.1Very high1 Ų131 Ų311%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-110.6124.1174.3-66.1169.6000108.8V169 T170 F171 V184 L212 W216 L217 T221V169-I181 HydrophobicContact CG1-CD1 4.28Å; V169-I181 HydrophobicContact CG1-CG1 4.4Å; V169-I181 HydrophobicContact CG1-CG2 3.9Å; T170-I181 CarbonylContact O-C 3.51Å; F171-I181 HydrophobicContact CD1-CG1 4.21Å; F171-I181 HydrophobicContact CD2-CG1 4.3Å; F171-I181 HydrophobicContact CE1-CD1 4.32Å; F171-I181 HydrophobicContact CE1-CG1 3.94Å; F171-I181 HydrophobicContact CE2-CD1 4.21Å; F171-I181 HydrophobicContact CE2-CG1 4.05Å; F171-I181 HydrophobicContact CG-CG1 4.37Å; F171-I181 HydrophobicContact CZ-CD1 3.86Å; F171-I181 HydrophobicContact CZ-CG1 3.84Å; I181-V184 HydrophobicContact CG2-CG2 3.67Å; I181-L212 HydrophobicContact CD1-CB 4.35Å; I181-L212 HydrophobicContact CD1-CD1 4.11Å; I181-L212 HydrophobicContact CD1-CD2 4.16Å; I181-L212 HydrophobicContact CD1-CG 4.45Å; I181-W216 HydrophobicContact CD1-CB 4.18Å; I181-W216 HydrophobicContact CD1-CE3 4.44Å; I181-W216 HydrophobicContact CG1-CB 4.09Å; I181-W216 PolarHBondContact N-O 3.12Å; I181-L217 HydrophobicContact CB-CD2 4.33Å; I181-L217 HydrophobicContact CD1-CD2 4.01Å; I181-T221 HydrophobicContact CB-CG2 4.38Å; I181-T221 HydrophobicContact CG2-CG2 3.99Å; I181-T221 WeakPolarHBondContact O-CG2 3.48Å; I181-T221 PolarHBondContact O-OG1 3Å
182D98.6Very high97Very high31 Ų3136.2 Ų36.217%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-79.3-45.7175.4-18079.2000111.7L5 T170 Q172 K222L5-D182 HydrophobicContact CD2-CB 4.01Å; T170-D182 HydrophobicContact CG2-CB 4.13Å; T170-D182 PolarHBondContact O-N 2.86Å; Q172-D182 HydrophobicContact CG-CB 3.86Å; D182-K222 VanDerWaalsContact CG-NZ 3.31Å; D182-K222 PolarHBondContact O-N 3Å; D182-K222 IonicContact OD1-NZ 2.99Å; D182-K222 PolarHBondContact OD1-NZ 3.29Å; D182-K222 IonicContact OD2-NZ 2.82Å; D182-K222 PolarHBondContact OD2-NZ 2.88Å
183A98.8Very high96.8Very high9 Ų941.9 Ų41.97%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-147.3144.7-174.400000112.9T170 K222 F224T170-A183 PolarHBondContact N-O 3.14Å; T170-A183 PolarHBondContact O-N 3.01Å; A183-K222 CarbonylContact C-O 3.52Å; A183-K222 VanDerWaalsContact CA-O 3.3Å; A183-K222 WeakPolarHBondContact CA-O 3.03Å; A183-K222 HydrophobicContact CB-CB 4.22Å; A183-F224 HydrophobicContact CB-CE2 4.22Å
184V98.9Very high96.8Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-127.7125172.2-174.90000108.1L145 Q168 V169 I181 I208 L212 T221 K222 F223 F224L145-V184 HydrophobicContact CD1-CG1 4.09Å; Q168-V184 WeakPolarHBondContact O-CA 3.22Å; V169-V184 HydrophobicContact CG1-CG2 4.41Å; I181-V184 HydrophobicContact CG2-CG2 3.67Å; V184-I208 HydrophobicContact CG1-CD1 4.19Å; V184-I208 HydrophobicContact CG1-CG2 4.48Å; V184-L212 HydrophobicContact CB-CD1 4.5Å; V184-L212 HydrophobicContact CG1-CD1 4.19Å; V184-L212 HydrophobicContact CG2-CD1 3.51Å; V184-T221 HydrophobicContact CG2-CG2 4.45Å; V184-K222 PolarHBondContact N-O 3.27Å; V184-F223 HydrophobicContact CB-CD1 3.87Å; V184-F223 HydrophobicContact CB-CE1 4.19Å; V184-F223 HydrophobicContact CG2-CD1 4.1Å; V184-F223 HydrophobicContact CG2-CE1 3.91Å; V184-F223 WeakPolarHBondContact O-CA 3.44Å; V184-F224 PolarHBondContact O-N 2.99Å
185V98.8Very high96.9Very high31 Ų3143.9 Ų43.919%0.18823%0.233CC..EExtended strand (participates in β ladder)trans-111.4131170.2-170.50000108S167 Q168 F224 P227S167-V185 CarbonylContact C-O 3.54Å; S167-V185 VanDerWaalsContact CA-O 3.3Å; S167-V185 WeakPolarHBondContact CA-O 3.13Å; Q168-V185 HydrophobicContact CB-CB 4.01Å; Q168-V185 HydrophobicContact CB-CG2 4.24Å; Q168-V185 PolarHBondContact N-O 2.96Å; Q168-V185 PolarHBondContact O-N 3.16Å; V185-F224 WeakPolarHBondContact CA-O 3.46Å; V185-F224 HydrophobicContact CB-CB 4.35Å; V185-F224 HydrophobicContact CG1-CB 4.15Å; V185-F224 HydrophobicContact CG2-CB 4.08Å; V185-F224 HydrophobicContact CG2-CD2 4.06Å; V185-F224 HydrophobicContact CG2-CG 4.46Å; V185-P227 HydrophobicContact CG1-CG 4.25Å
186L98.8Very high97.1Very high1 Ų141.4 Ų41.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-135.3114.5169.8-161.7154000108.9L145 K166 T188 V203 I207 I208 F224 I225 N226L145-L186 HydrophobicContact CB-CD1 4.38Å; L145-L186 HydrophobicContact CD2-CD1 4.4Å; K166-L186 WeakPolarHBondContact O-CA 3.14Å; L186-T188 HydrophobicContact CD2-CG2 4.08Å; L186-V203 HydrophobicContact CB-CG1 4.27Å; L186-V203 HydrophobicContact CD1-CG1 4.04Å; L186-V203 HydrophobicContact CD2-CG1 3.81Å; L186-V203 HydrophobicContact CG-CG1 4.25Å; L186-I207 HydrophobicContact CD1-CB 4.4Å; L186-I207 HydrophobicContact CD1-CG2 3.59Å; L186-I208 HydrophobicContact CB-CD1 4.44Å; L186-I208 HydrophobicContact CD1-CG1 4.17Å; L186-F224 PolarHBondContact N-O 3.34Å; L186-I225 WeakPolarHBondContact O-CA 3.39Å; L186-N226 PolarHBondContact O-N 2.97Å
187S98.7Very high97.4Very high23 Ų2346.2 Ų46.216%0.16123%0.23CC..EExtended strand (participates in β ladder)trans-109.7122.7173.3-60.30000108.6A165 K166 N226A165-S187 CarbonylContact C-O 3.6Å; A165-S187 WeakPolarHBondContact CA-O 3.42Å; K166-S187 PolarHBondContact N-O 3.3Å; K166-S187 PolarHBondContact O-N 2.89Å; S187-N226 VanDerWaalsContact CA-OD1 3.26Å; S187-N226 WeakPolarHBondContact CA-OD1 3.33Å
188T98.8Very high97.6Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-132.7136.8-179.2-171.40000111.2Q149 L161 L186 V203 N226Q149-T188 PolarHBondContact NE2-OG1 3.47Å; L161-T188 HydrophobicContact CD2-CG2 3.64Å; L161-T188 WeakPolarHBondContact CD2-OG1 3.47Å; L186-T188 HydrophobicContact CD2-CG2 4.08Å; T188-V203 HydrophobicContact CG2-CG2 4.06Å; T188-N226 PolarHBondContact N-OD1 3.42Å; T188-N226 PolarHBondContact O-ND2 3.36Å
189Q98.4Very high97.7Very high0 Ų039.6 Ų39.60%021%0.206CC..EExtended strand (participates in β ladder)trans-69140.2176.1-166.3-165.25.600109.6M83 R162 D164 F231 V232M83-Q189 PolarHBondContact O-NE2 2.72Å; R162-Q189 HydrophobicContact CB-CB 3.82Å; R162-Q189 VanDerWaalsContact CB-CD 3.45Å; R162-Q189 HydrophobicContact CB-CG 3.62Å; R162-Q189 HydrophobicContact CG-CG 4.42Å; R162-Q189 PolarHBondContact N-O 3.18Å; D164-Q189 HydrophobicContact CB-CB 4.02Å; D164-Q189 WeakPolarHBondContact O-CB 3.27Å; D164-Q189 PolarHBondContact O-N 2.87Å; Q189-F231 CarbonylContact C-O 3.48Å; Q189-F231 WeakPolarHBondContact CA-O 3.44Å; Q189-F231 HydrophobicContact CB-CD1 4.31Å; Q189-F231 HydrophobicContact CB-CE1 4.36Å; Q189-F231 HydrophobicContact CB-CG 4.46Å; Q189-F231 VanDerWaalsContact CG-O 3.26Å; Q189-F231 WeakPolarHBondContact CG-O 3.48Å; Q189-V232 PolarHBondContact NE2-O 2.86Å
190H98Very high97.8Very high4 Ų439.7 Ų39.72%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-143.3163.7-175.861.890.7000112.7W160 R162 I194 L199 N226 F231 V232W160-H190 HydrophobicContact CE3-CB 3.83Å; W160-H190 HydrophobicContact CZ3-CB 4.16Å; W160-H190 CarbonylContact O-C 3.5Å; W160-H190 VanDerWaalsContact O-CA 3.3Å; W160-H190 WeakPolarHBondContact O-CA 3.45Å; R162-H190 WeakPolarHBondContact CD-O 3.47Å; H190-I194 HydrophobicContact CB-CG2 3.97Å; H190-L199 HydrophobicContact CB-CD1 3.98Å; H190-L199 VanDerWaalsContact CD2-CD1 3.43Å; H190-L199 WeakPolarHBondContact CD2-CD1 3.44Å; H190-N226 PolarHBondContact CD2-ND2 3.37Å; H190-F231 PolarHBondContact N-O 3.22Å; H190-F231 PolarHBondContact NE2-N 3.41Å; H190-V232 WeakPolarHBondContact O-CA 3.36Å
191S96.6Very high97.8Very high17 Ų1744.8 Ų44.812%0.11923%0.225CC..  trans-70165.4169.772.70000111.6W160 E193W160-S191 WeakPolarHBondContact CB-OG 3.24Å; W160-S191 PolarHBondContact O-N 3.01Å; S191-E193 PolarHBondContact O-N 3.18Å; S191-E193 PolarHBondContact OG-N 3.14Å
192E95.7Very high97.8Very high109 Ų10945.7 Ų45.751%0.50923%0.233SC..THydrogen-bonded Turntrans-64.5-16.3175.4-71.4-73.9172.900113.7R230 V232E192-R230 IonicContact OE1-CZ 3.69Å; E192-R230 IonicContact OE1-NH2 3.63Å; E192-R230 PolarHBondContact OE1-NH2 3.03Å; E192-R230 IonicContact OE2-CZ 2.76Å; E192-R230 IonicContact OE2-NH1 3.09Å; E192-R230 PolarHBondContact OE2-NH1 3.25Å; E192-R230 IonicContact OE2-NH2 3.49Å; E192-R230 PolarHBondContact OE2-NH2 3.34Å; E192-V232 HydrophobicContact CG-CG1 4.05Å
193E94.5Very high97.8Very high179 Ų17944.2 Ų44.284%0.83623%0.225SC*.THydrogen-bonded Turntrans-81.2-23.4-166-60179.4166.800113.9S191S191-E193 PolarHBondContact O-N 3.18Å; S191-E193 PolarHBondContact OG-N 3.14Å
194I97.5Very high97.8Very high23 Ų2345.4 Ų45.412%0.11823%0.229CC..SBendtrans-93.7132.5-178.5-168.8162.5000111.9W160 H190 L199W160-I194 HydrophobicContact CB-CB 4.49Å; W160-I194 HydrophobicContact CB-CG2 4.42Å; W160-I194 HydrophobicContact CD2-CB 4.18Å; W160-I194 HydrophobicContact CD2-CD1 3.44Å; W160-I194 VanDerWaalsContact CD2-CD1 3.44Å; W160-I194 HydrophobicContact CD2-CG1 4.4Å; W160-I194 HydrophobicContact CD2-CG2 3.97Å; W160-I194 HydrophobicContact CE3-CB 4.39Å; W160-I194 HydrophobicContact CE3-CD1 3.86Å; W160-I194 HydrophobicContact CE3-CG2 3.69Å; W160-I194 HydrophobicContact CG-CB 4.2Å; W160-I194 HydrophobicContact CG-CD1 3.99Å; W160-I194 HydrophobicContact CG-CG2 4.28Å; W160-I194 HydrophobicContact CH2-CD1 3.7Å; W160-I194 HydrophobicContact CZ2-CD1 3.28Å; W160-I194 HydrophobicContact CZ3-CD1 3.96Å; W160-I194 HydrophobicContact CZ3-CG2 4.23Å; H190-I194 HydrophobicContact CB-CG2 3.97Å; I194-L199 HydrophobicContact CD1-CB 3.93Å; I194-L199 HydrophobicContact CG1-CB 4.11Å; I194-L199 HydrophobicContact CG2-CB 4.5Å; I194-L199 HydrophobicContact CG2-CD1 4.19Å
195D96.7Very high97.8Very high87 Ų8750.2 Ų50.247%0.46525%0.252SS..  trans-79.8157.1171.376.888.7000111.8K197 S198 L199D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 3.36Å; D195-K197 WeakPolarHBondContact OD1-CA 3.31Å; D195-K197 WeakPolarHBondContact OD1-CB 3.33Å; D195-K197 PolarHBondContact OD1-N 3.16Å; D195-S198 PolarHBondContact O-N 3.47Å; D195-S198 PolarHBondContact OD1-N 2.91Å; D195-S198 VanDerWaalsContact OD1-N 3.11Å; D195-S198 VanDerWaalsContact OD2-CB 3.29Å; D195-S198 WeakPolarHBondContact OD2-CB 3.39Å; D195-S198 PolarHBondContact OD2-OG 3.3Å; D195-L199 WeakPolarHBondContact O-CB 3.42Å; D195-L199 PolarHBondContact O-N 2.96Å
196Q96Very high97.8Very high56 Ų5652.1 Ų52.126%0.26226%0.259SS..Hα-helixtrans-57.9-37.3-175-174.167.823.400113.3Q200 I225 N226Q196-Q200 WeakPolarHBondContact O-CG 3.32Å; Q196-Q200 PolarHBondContact O-N 2.94Å; Q196-I225 PolarHBondContact NE2-O 3.05Å; Q196-N226 PolarHBondContact NE2-O 3.29Å
197K97.2Very high97.8Very high133 Ų13352 Ų5258%0.57826%0.258SS*.Hα-helixtrans-70.2-48.4-176-178.5-174.1169.2-171.50110.2D195 L199 Q200 E201D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 3.36Å; D195-K197 WeakPolarHBondContact OD1-CA 3.31Å; D195-K197 WeakPolarHBondContact OD1-CB 3.33Å; D195-K197 PolarHBondContact OD1-N 3.16Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.04Å; K197-Q200 PolarHBondContact O-N 2.84Å; K197-Q200 VanDerWaalsContact O-N 3.17Å; K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 PolarHBondContact O-N 2.92Å
198S97.9Very high97.8Very high49 Ų4951 Ų5134%0.34325%0.251SS..Hα-helixtrans-60.4-38.7176.7-58.10000111.8D195 A202D195-S198 PolarHBondContact O-N 3.47Å; D195-S198 PolarHBondContact OD1-N 2.91Å; D195-S198 VanDerWaalsContact OD1-N 3.11Å; D195-S198 VanDerWaalsContact OD2-CB 3.29Å; D195-S198 WeakPolarHBondContact OD2-CB 3.39Å; D195-S198 PolarHBondContact OD2-OG 3.3Å; S198-A202 WeakPolarHBondContact O-CB 3.35Å; S198-A202 PolarHBondContact O-N 3.14Å
199L98.4Very high97.7Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-60.9-46.9174.4-179154.2000111.4W160 H190 I194 D195 K197 A202 V203 I225 N226W160-L199 HydrophobicContact CH2-CB 4.27Å; W160-L199 HydrophobicContact CH2-CD1 4.42Å; W160-L199 HydrophobicContact CH2-CG 3.87Å; W160-L199 HydrophobicContact CZ3-CB 4.41Å; W160-L199 HydrophobicContact CZ3-CD1 3.83Å; W160-L199 HydrophobicContact CZ3-CG 3.79Å; H190-L199 HydrophobicContact CB-CD1 3.98Å; H190-L199 VanDerWaalsContact CD2-CD1 3.43Å; H190-L199 WeakPolarHBondContact CD2-CD1 3.44Å; I194-L199 HydrophobicContact CD1-CB 3.93Å; I194-L199 HydrophobicContact CG1-CB 4.11Å; I194-L199 HydrophobicContact CG2-CB 4.5Å; I194-L199 HydrophobicContact CG2-CD1 4.19Å; D195-L199 WeakPolarHBondContact O-CB 3.42Å; D195-L199 PolarHBondContact O-N 2.96Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.04Å; L199-A202 PolarHBondContact O-N 2.9Å; L199-V203 HydrophobicContact CD2-CG2 4.03Å; L199-V203 HydrophobicContact CG-CG2 4.39Å; L199-V203 WeakPolarHBondContact O-CB 3.24Å; L199-V203 VanDerWaalsContact O-CG2 3.25Å; L199-V203 WeakPolarHBondContact O-CG2 3.5Å; L199-V203 PolarHBondContact O-N 3.16Å; L199-I225 HydrophobicContact CD2-CG2 3.6Å; L199-N226 HydrophobicContact CD2-CB 4.15Å
200Q98.4Very high97.7Very high79 Ų7959.3 Ų59.337%0.36929%0.294SS..Hα-helixtrans-63.1-43.6-179.2-72.7-179.6-2500112.3Q196 K197 M204 I225Q196-Q200 WeakPolarHBondContact O-CG 3.32Å; Q196-Q200 PolarHBondContact O-N 2.94Å; K197-Q200 PolarHBondContact O-N 2.84Å; K197-Q200 VanDerWaalsContact O-N 3.17Å; Q200-M204 WeakPolarHBondContact O-CB 3.49Å; Q200-M204 PolarHBondContact O-N 3.47Å; Q200-I225 HydrophobicContact CB-CD1 4.46Å; Q200-I225 HydrophobicContact CB-CG2 4.46Å; Q200-I225 HydrophobicContact CG-CB 3.95Å; Q200-I225 HydrophobicContact CG-CG2 3.94Å; Q200-I225 PolarHBondContact NE2-O 3.35Å; Q200-I225 VanDerWaalsContact NE2-O 3.12Å; Q200-I225 WeakPolarHBondContact O-CD1 3.26Å
201E98.4Very high97.8Very high108 Ų10861 Ų6151%0.50530%0.303SS..Hα-helixtrans-62.6-48.8176.4-70.6175-176.400110.9K197 M204 E205K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 PolarHBondContact O-N 2.92Å; E201-M204 WeakPolarHBondContact O-CB 3.47Å; E201-M204 PolarHBondContact O-N 3.21Å; E201-E205 WeakPolarHBondContact O-CG 3.24Å; E201-E205 PolarHBondContact O-N 3.34Å
202A98.6Very high97.8Very high21 Ų2160.4 Ų60.417%0.17430%0.298CS..Hα-helixtrans-64.1-43.9-179.700000113.2L158 W160 S198 L199 M204 E205 E206L158-A202 HydrophobicContact CD1-CB 4.25Å; L158-A202 HydrophobicContact CD2-CB 3.89Å; W160-A202 HydrophobicContact CH2-CB 4.26Å; W160-A202 HydrophobicContact CZ2-CB 3.67Å; S198-A202 WeakPolarHBondContact O-CB 3.35Å; S198-A202 PolarHBondContact O-N 3.14Å; L199-A202 PolarHBondContact O-N 2.9Å; A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.33Å; A202-E205 PolarHBondContact O-N 2.77Å; A202-E206 VanDerWaalsContact O-CB 3.29Å; A202-E206 WeakPolarHBondContact O-CB 3.36Å; A202-E206 PolarHBondContact O-N 2.76Å
203V98.7Very high97.9Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-61.9-38.9176167.30000111W160 L186 T188 L199 I207 I208 I225W160-V203 HydrophobicContact CH2-CG2 4.42Å; L186-V203 HydrophobicContact CB-CG1 4.27Å; L186-V203 HydrophobicContact CD1-CG1 4.04Å; L186-V203 HydrophobicContact CD2-CG1 3.81Å; L186-V203 HydrophobicContact CG-CG1 4.25Å; T188-V203 HydrophobicContact CG2-CG2 4.06Å; L199-V203 HydrophobicContact CD2-CG2 4.03Å; L199-V203 HydrophobicContact CG-CG2 4.39Å; L199-V203 WeakPolarHBondContact O-CB 3.24Å; L199-V203 VanDerWaalsContact O-CG2 3.25Å; L199-V203 WeakPolarHBondContact O-CG2 3.5Å; L199-V203 PolarHBondContact O-N 3.16Å; V203-I207 HydrophobicContact CG1-CD1 4.49Å; V203-I207 HydrophobicContact CG2-CD1 4.28Å; V203-I207 WeakPolarHBondContact O-CA 3.36Å; V203-I207 WeakPolarHBondContact O-CB 3.43Å; V203-I207 PolarHBondContact O-N 3.08Å; V203-I207 VanDerWaalsContact O-N 3.15Å; V203-I208 HydrophobicContact CG1-CD1 4.04Å; V203-I208 HydrophobicContact CG1-CG1 4.2Å; V203-I208 PolarHBondContact O-N 3.49Å; V203-I225 HydrophobicContact CB-CD1 4.15Å; V203-I225 HydrophobicContact CB-CG2 3.87Å; V203-I225 HydrophobicContact CG1-CD1 3.87Å; V203-I225 HydrophobicContact CG1-CG1 3.97Å; V203-I225 HydrophobicContact CG1-CG2 3.78Å; V203-I225 HydrophobicContact CG2-CG2 4.08Å
204M98.5Very high98Very high34 Ų3451.3 Ų51.317%0.16727%0.271CS..Iπ-helixtrans-62.9-52.2177.3-179.962.570.800111.7Q200 E201 A202 I208 K209 F223 I225Q200-M204 WeakPolarHBondContact O-CB 3.49Å; Q200-M204 PolarHBondContact O-N 3.47Å; E201-M204 WeakPolarHBondContact O-CB 3.47Å; E201-M204 PolarHBondContact O-N 3.21Å; A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.33Å; M204-I208 PolarHBondContact O-N 2.66Å; M204-I208 HydrophobicContact SD-CB 4.19Å; M204-I208 HydrophobicContact SD-CG2 4.09Å; M204-K209 HydrophobicContact CG-CD 4.22Å; M204-K209 HydrophobicContact CG-CG 4.31Å; M204-K209 WeakPolarHBondContact O-CB 3.27Å; M204-K209 WeakPolarHBondContact O-CG 3.38Å; M204-K209 PolarHBondContact O-N 2.84Å; M204-K209 HydrophobicContact SD-CD 4.5Å; M204-K209 HydrophobicContact SD-CG 4.02Å; M204-F223 HydrophobicContact CE-CB 3.86Å; M204-F223 HydrophobicContact CE-CD1 3.64Å; M204-F223 HydrophobicContact CE-CD2 3.9Å; M204-F223 HydrophobicContact CE-CE1 4.1Å; M204-F223 HydrophobicContact CE-CE2 4.33Å; M204-F223 HydrophobicContact CE-CG 3.53Å; M204-F223 HydrophobicContact CE-CZ 4.41Å; M204-F223 HydrophobicContact SD-CD1 4.4Å; M204-F223 HydrophobicContact SD-CE1 4.36Å; M204-I225 HydrophobicContact CB-CD1 4.27Å; M204-I225 HydrophobicContact CE-CD1 4.24Å
205E98.5Very high98Very high100 Ų10057.1 Ų57.147%0.46730%0.297SS..Iπ-helixtrans-75.2-39.7-174.2-60.2-47.5128.400113.3E201 A202 K209 P210E201-E205 WeakPolarHBondContact O-CG 3.24Å; E201-E205 PolarHBondContact O-N 3.34Å; A202-E205 PolarHBondContact O-N 2.77Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å; E205-K209 IonicContact OE1-NZ 2.64Å; E205-K209 PolarHBondContact OE1-NZ 2.75Å; E205-K209 WeakPolarHBondContact OE2-CD 3.49Å; E205-K209 IonicContact OE2-NZ 2.92Å; E205-K209 PolarHBondContact OE2-NZ 3.06Å; E205-P210 WeakPolarHBondContact O-CD 3.21Å; E205-P210 WeakPolarHBondContact O-CG 3.38Å
206E98.7Very high98Very high71 Ų7155 Ų5533%0.33228%0.283SS..Iπ-helixtrans-95.2-19-171.2-63-62.6158.800113.8R148 T157 L158 A202R148-E206 PolarHBondContact NE-O 3.11Å; R148-E206 IonicContact NH2-OE2 2.78Å; T157-E206 HydrophobicContact CG2-CG 4.33Å; L158-E206 HydrophobicContact CD1-CB 4.03Å; L158-E206 HydrophobicContact CD1-CG 4.38Å; L158-E206 HydrophobicContact CD2-CG 4.25Å; L158-E206 HydrophobicContact CG-CB 4.48Å; L158-E206 HydrophobicContact CG-CG 4.44Å; A202-E206 VanDerWaalsContact O-CB 3.29Å; A202-E206 WeakPolarHBondContact O-CB 3.36Å; A202-E206 PolarHBondContact O-N 2.76Å
207I98.8Very high98.1Very high0 Ų054.4 Ų54.40%028%0.281CS..Iπ-helixtrans-121.8-54.4-174.4-53.9171.5000112.5L145 R148 Q149 V152 L158 L161 L186 V203 I211L145-I207 HydrophobicContact CD2-CG2 4.28Å; L145-I207 WeakPolarHBondContact O-CG2 3.31Å; R148-I207 HydrophobicContact CB-CG2 4.16Å; R148-I207 HydrophobicContact CG-CB 4.31Å; R148-I207 HydrophobicContact CG-CG1 4.41Å; R148-I207 HydrophobicContact CG-CG2 4.07Å; Q149-I207 HydrophobicContact CB-CD1 3.97Å; Q149-I207 HydrophobicContact CB-CG2 4.47Å; Q149-I207 HydrophobicContact CG-CD1 4.03Å; V152-I207 HydrophobicContact CG2-CD1 4.02Å; V152-I207 HydrophobicContact CG2-CG1 3.9Å; L158-I207 HydrophobicContact CD1-CD1 4.37Å; L161-I207 HydrophobicContact CD1-CD1 4.45Å; L186-I207 HydrophobicContact CD1-CB 4.4Å; L186-I207 HydrophobicContact CD1-CG2 3.59Å; V203-I207 HydrophobicContact CG1-CD1 4.49Å; V203-I207 HydrophobicContact CG2-CD1 4.28Å; V203-I207 WeakPolarHBondContact O-CA 3.36Å; V203-I207 WeakPolarHBondContact O-CB 3.43Å; V203-I207 PolarHBondContact O-N 3.08Å; V203-I207 VanDerWaalsContact O-N 3.15Å; I207-I211 WeakPolarHBondContact O-CB 3.44Å; I207-I211 VanDerWaalsContact O-CG1 3.22Å; I207-I211 WeakPolarHBondContact O-CG1 3.42Å
208I98.7Very high98Very high1 Ų151.4 Ų51.41%0.00527%0.274CS..Iπ-helixtrans-75.2-57.1-171.7-64.9178.2000111.8L145 V184 L186 V203 M204 I211 L212 F223 I225L145-I208 HydrophobicContact CD2-CB 4.46Å; L145-I208 HydrophobicContact CD2-CG1 4.17Å; V184-I208 HydrophobicContact CG1-CD1 4.19Å; V184-I208 HydrophobicContact CG1-CG2 4.48Å; L186-I208 HydrophobicContact CB-CD1 4.44Å; L186-I208 HydrophobicContact CD1-CG1 4.17Å; V203-I208 HydrophobicContact CG1-CD1 4.04Å; V203-I208 HydrophobicContact CG1-CG1 4.2Å; V203-I208 PolarHBondContact O-N 3.49Å; M204-I208 PolarHBondContact O-N 2.66Å; M204-I208 HydrophobicContact SD-CB 4.19Å; M204-I208 HydrophobicContact SD-CG2 4.09Å; I208-I211 PolarHBondContact O-N 3.34Å; I208-L212 HydrophobicContact CG2-CD1 3.75Å; I208-L212 HydrophobicContact CG2-CG 4.38Å; I208-L212 PolarHBondContact O-N 3.13Å; I208-F223 HydrophobicContact CD1-CD1 4.27Å; I208-F223 HydrophobicContact CG2-CD1 4.1Å; I208-F223 HydrophobicContact CG2-CE1 3.71Å; I208-I225 HydrophobicContact CD1-CD1 3.85Å; I208-I225 HydrophobicContact CD1-CG1 3.89Å
209K98.3Very high97.9Very high104 Ų10455.6 Ų55.645%0.45230%0.303SS..Hα-helixtrans-60.7-38.6-177.2-73.7176.6175.3177.30114M204 E205 I211M204-K209 HydrophobicContact CG-CD 4.22Å; M204-K209 HydrophobicContact CG-CG 4.31Å; M204-K209 WeakPolarHBondContact O-CB 3.27Å; M204-K209 WeakPolarHBondContact O-CG 3.38Å; M204-K209 PolarHBondContact O-N 2.84Å; M204-K209 HydrophobicContact SD-CD 4.5Å; M204-K209 HydrophobicContact SD-CG 4.02Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å; E205-K209 IonicContact OE1-NZ 2.64Å; E205-K209 PolarHBondContact OE1-NZ 2.75Å; E205-K209 WeakPolarHBondContact OE2-CD 3.49Å; E205-K209 IonicContact OE2-NZ 2.92Å; E205-K209 PolarHBondContact OE2-NZ 3.06Å; K209-I211 PolarHBondContact O-N 3.19Å
210P98.4Very high97.8Very high71 Ų7158.7 Ų58.746%0.46133%0.329SS..Hα-helixtrans-68.5-19.3178.9-24.837.7000114.2E205E205-P210 WeakPolarHBondContact O-CD 3.21Å; E205-P210 WeakPolarHBondContact O-CG 3.38Å
211I98.6Very high97.8Very high38 Ų3855.5 Ų55.520%0.19532%0.315CS..Hα-helixtrans-104.3-39-172.2-65.2-57.4000112.9Y141 R144 L145 R148 I207 I208 K209Y141-I211 HydrophobicContact CD1-CG2 4.23Å; Y141-I211 WeakPolarHBondContact CD1-O 3.34Å; Y141-I211 VanDerWaalsContact CE1-O 3.3Å; Y141-I211 WeakPolarHBondContact CE1-O 3.32Å; R144-I211 HydrophobicContact CB-CD1 4.44Å; R144-I211 HydrophobicContact CB-CG2 3.44Å; R144-I211 VanDerWaalsContact CB-CG2 3.44Å; L145-I211 HydrophobicContact CD2-CB 4.08Å; L145-I211 HydrophobicContact CD2-CG2 4.07Å; L145-I211 HydrophobicContact CG-CG2 4.11Å; R148-I211 HydrophobicContact CB-CD1 3.85Å; R148-I211 HydrophobicContact CB-CG1 3.68Å; R148-I211 HydrophobicContact CG-CD1 4.09Å; R148-I211 HydrophobicContact CG-CG1 3.83Å; I207-I211 WeakPolarHBondContact O-CB 3.44Å; I207-I211 VanDerWaalsContact O-CG1 3.22Å; I207-I211 WeakPolarHBondContact O-CG1 3.42Å; I208-I211 PolarHBondContact O-N 3.34Å; K209-I211 PolarHBondContact O-N 3.19Å
212L98.4Very high97.8Very high5 Ų554.9 Ų54.93%0.02631%0.311CS..SBendtrans-86.7132.8-176.1-60.3-175.7000111.1Y141 L145 I181 V184 I208 A214 L217Y141-L212 HydrophobicContact CD1-CD2 3.86Å; Y141-L212 HydrophobicContact CG-CD2 4Å; L145-L212 HydrophobicContact CD1-CD2 4.31Å; L145-L212 HydrophobicContact CD2-CG 4.37Å; L145-L212 HydrophobicContact CG-CD2 4.44Å; I181-L212 HydrophobicContact CD1-CB 4.35Å; I181-L212 HydrophobicContact CD1-CD1 4.11Å; I181-L212 HydrophobicContact CD1-CD2 4.16Å; I181-L212 HydrophobicContact CD1-CG 4.45Å; V184-L212 HydrophobicContact CB-CD1 4.5Å; V184-L212 HydrophobicContact CG1-CD1 4.19Å; V184-L212 HydrophobicContact CG2-CD1 3.51Å; I208-L212 HydrophobicContact CG2-CD1 3.75Å; I208-L212 HydrophobicContact CG2-CG 4.38Å; I208-L212 PolarHBondContact O-N 3.13Å; L212-A214 PolarHBondContact O-N 2.97Å; L212-L217 HydrophobicContact CB-CD1 4.11Å; L212-L217 HydrophobicContact CB-CD2 4.17Å; L212-L217 HydrophobicContact CB-CG 4.37Å; L212-L217 HydrophobicContact CD1-CD2 4.02Å
213P97.2Very high97.8Very high20 Ų2057.2 Ų57.213%0.1332%0.317CS..  trans-61.3126178.3-22.834.6000111Y141 E215 W216Y141-P213 VanDerWaalsContact CE1-CD 3.42Å; Y141-P213 HydrophobicContact CE1-CG 3.78Å; Y141-P213 HydrophobicContact CE2-CG 4.43Å; Y141-P213 WeakPolarHBondContact OH-CG 3.44Å; P213-E215 VanDerWaalsContact CB-CD 3.42Å; P213-E215 HydrophobicContact CB-CG 4.21Å; P213-E215 VanDerWaalsContact CB-OE2 3.32Å; P213-E215 WeakPolarHBondContact CB-OE2 3.39Å; P213-E215 PolarHBondContact O-N 3.14Å; P213-W216 HydrophobicContact CB-CD2 4.23Å; P213-W216 HydrophobicContact CB-CE3 4.06Å; P213-W216 HydrophobicContact CG-CD2 4.28Å; P213-W216 HydrophobicContact CG-CE3 3.65Å; P213-W216 HydrophobicContact CG-CH2 4.45Å; P213-W216 HydrophobicContact CG-CZ3 3.76Å; P213-W216 PolarHBondContact O-N 3.22Å
214A97.2Very high97.8Very high77 Ų7761.7 Ų61.764%0.63634%0.337SS*.G310 helixtrans-60.8-30.2-174.100000112.3L212 W216 L217L212-A214 PolarHBondContact O-N 2.97Å; A214-W216 PolarHBondContact O-N 3.28Å; A214-L217 PolarHBondContact O-N 3.09Å
215E96.8Very high97.8Very high145 Ų14560.6 Ų60.668%0.67833%0.331SS*.G310 helixtrans-64.4-19.9177.264-93-143.900114.2P213P213-E215 VanDerWaalsContact CB-CD 3.42Å; P213-E215 HydrophobicContact CB-CG 4.21Å; P213-E215 VanDerWaalsContact CB-OE2 3.32Å; P213-E215 WeakPolarHBondContact CB-OE2 3.39Å; P213-E215 PolarHBondContact O-N 3.14Å
216W97.1Very high97.8Very high44 Ų4456 Ų5617%0.16731%0.31CS..G310 helixtrans-99.2-7.9177.5-63.9-18.8000113.2A137 Y141 F171 I178 G180 I181 P213 A214A137-W216 HydrophobicContact CB-CH2 4.4Å; A137-W216 HydrophobicContact CB-CZ3 4.4Å; Y141-W216 HydrophobicContact CD2-CZ3 4.07Å; Y141-W216 HydrophobicContact CE2-CE3 4.39Å; Y141-W216 HydrophobicContact CE2-CH2 4.06Å; Y141-W216 AromaticContact CE2-CZ3 3.38Å; Y141-W216 HydrophobicContact CE2-CZ3 3.38Å; Y141-W216 AromaticContact CZ-CZ3 3.83Å; F171-W216 HydrophobicContact CE1-CD2 4.3Å; F171-W216 AromaticContact CE1-CE3 3.48Å; F171-W216 HydrophobicContact CE1-CE3 3.48Å; F171-W216 VanDerWaalsContact CE1-CE3 3.48Å; F171-W216 HydrophobicContact CE1-CH2 4.27Å; F171-W216 AromaticContact CE1-CZ3 3.45Å; F171-W216 HydrophobicContact CE1-CZ3 3.45Å; F171-W216 VanDerWaalsContact CE1-CZ3 3.45Å; F171-W216 AromaticContact CZ-CE3 3.97Å; F171-W216 HydrophobicContact CZ-CE3 3.97Å; F171-W216 AromaticContact CZ-CZ3 3.9Å; F171-W216 HydrophobicContact CZ-CZ3 3.9Å; I178-W216 HydrophobicContact CB-CZ2 4.32Å; I178-W216 HydrophobicContact CD1-CH2 3.93Å; I178-W216 HydrophobicContact CD1-CZ2 4.13Å; I178-W216 HydrophobicContact CG2-CD2 3.89Å; I178-W216 HydrophobicContact CG2-CE3 4.38Å; I178-W216 HydrophobicContact CG2-CG 4.27Å; I178-W216 HydrophobicContact CG2-CH2 4.38Å; I178-W216 HydrophobicContact CG2-CZ2 3.91Å; G180-W216 WeakPolarHBondContact CA-O 3.14Å; I181-W216 HydrophobicContact CD1-CB 4.18Å; I181-W216 HydrophobicContact CD1-CE3 4.44Å; I181-W216 HydrophobicContact CG1-CB 4.09Å; I181-W216 PolarHBondContact N-O 3.12Å; P213-W216 HydrophobicContact CB-CD2 4.23Å; P213-W216 HydrophobicContact CB-CE3 4.06Å; P213-W216 HydrophobicContact CG-CD2 4.28Å; P213-W216 HydrophobicContact CG-CE3 3.65Å; P213-W216 HydrophobicContact CG-CH2 4.45Å; P213-W216 HydrophobicContact CG-CZ3 3.76Å; P213-W216 PolarHBondContact O-N 3.22Å; A214-W216 PolarHBondContact O-N 3.28Å
217L97.4Very high97.8Very high42 Ų4256.2 Ų56.222%0.2232%0.318CS..  trans-93.1127.5176.3-58.2-177.7000109.8I181 L212 A214 T221 F223I181-L217 HydrophobicContact CB-CD2 4.33Å; I181-L217 HydrophobicContact CD1-CD2 4.01Å; L212-L217 HydrophobicContact CB-CD1 4.11Å; L212-L217 HydrophobicContact CB-CD2 4.17Å; L212-L217 HydrophobicContact CB-CG 4.37Å; L212-L217 HydrophobicContact CD1-CD2 4.02Å; A214-L217 PolarHBondContact O-N 3.09Å; L217-T221 HydrophobicContact CD2-CG2 4.11Å; L217-F223 HydrophobicContact CD2-CE1 4.42Å; L217-F223 HydrophobicContact CD2-CZ 4.11Å
218T95.1Very high97.6Very high70 Ų7062.3 Ų62.343%0.42936%0.355SS..  trans-125.2170.2178.571.20000110.3A220 T221T218-A220 PolarHBondContact O-N 3.27Å; T218-A220 VanDerWaalsContact O-N 3.12Å; T218-A220 PolarHBondContact OG1-N 3.01Å; T218-T221 PolarHBondContact N-OG1 2.93Å; T218-T221 WeakPolarHBondContact O-CB 3.11Å; T218-T221 PolarHBondContact O-N 3.4Å; T218-T221 PolarHBondContact O-OG1 2.89Å; T218-T221 PolarHBondContact OG1-N 2.8Å; T218-T221 PolarHBondContact OG1-OG1 2.76Å
219S95.9Very high97.4Very high137 Ų13763.4 Ų63.496%0.95837%0.367SS*.THydrogen-bonded Turntrans-62.2-15171.156.40000113.6
220A96.7Very high97.3Very high66 Ų6666.2 Ų66.255%0.54537%0.374SS..THydrogen-bonded Turntrans-90.5-11.5175.400000113.3T218 K222T218-A220 PolarHBondContact O-N 3.27Å; T218-A220 VanDerWaalsContact O-N 3.12Å; T218-A220 PolarHBondContact OG1-N 3.01Å; A220-K222 PolarHBondContact O-N 3.07Å
221T98.4Very high97.2Very high11 Ų1164.7 Ų64.77%0.06736%0.361CS..  trans-65.7126.2179-58.50000109.9I181 V184 L217 T218 F223I181-T221 HydrophobicContact CB-CG2 4.38Å; I181-T221 HydrophobicContact CG2-CG2 3.99Å; I181-T221 WeakPolarHBondContact O-CG2 3.48Å; I181-T221 PolarHBondContact O-OG1 3Å; V184-T221 HydrophobicContact CG2-CG2 4.45Å; L217-T221 HydrophobicContact CD2-CG2 4.11Å; T218-T221 PolarHBondContact N-OG1 2.93Å; T218-T221 WeakPolarHBondContact O-CB 3.11Å; T218-T221 PolarHBondContact O-N 3.4Å; T218-T221 PolarHBondContact O-OG1 2.89Å; T218-T221 PolarHBondContact OG1-N 2.8Å; T218-T221 PolarHBondContact OG1-OG1 2.76Å; T221-F223 HydrophobicContact CG2-CE1 4.11Å; T221-F223 HydrophobicContact CG2-CE2 3.85Å; T221-F223 HydrophobicContact CG2-CZ 3.63Å; T221-F223 WeakPolarHBondContact O-CD2 3.32Å; T221-F223 WeakPolarHBondContact O-CE2 3.32Å
222K98.7Very high97.1Very high96 Ų9663.7 Ų63.742%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-88.9132.5-177.8-56.7166.6-159.71330109.7D182 A183 V184 A220 F224D182-K222 VanDerWaalsContact CG-NZ 3.31Å; D182-K222 PolarHBondContact O-N 3Å; D182-K222 IonicContact OD1-NZ 2.99Å; D182-K222 PolarHBondContact OD1-NZ 3.29Å; D182-K222 IonicContact OD2-NZ 2.82Å; D182-K222 PolarHBondContact OD2-NZ 2.88Å; A183-K222 CarbonylContact C-O 3.52Å; A183-K222 VanDerWaalsContact CA-O 3.3Å; A183-K222 WeakPolarHBondContact CA-O 3.03Å; A183-K222 HydrophobicContact CB-CB 4.22Å; V184-K222 PolarHBondContact N-O 3.27Å; A220-K222 PolarHBondContact O-N 3.07Å; K222-F224 HydrophobicContact CB-CD2 4.39Å; K222-F224 HydrophobicContact CB-CE2 3.61Å; K222-F224 HydrophobicContact CB-CZ 3.99Å; K222-F224 HydrophobicContact CD-CE2 4.34Å; K222-F224 HydrophobicContact CD-CZ 4.31Å
223F98.6Very high97Very high70 Ų7068.2 Ų68.231%0.30738%0.379SS..EExtended strand (participates in β ladder)trans-118.2122.1176.7-61.7-85.3000110.2V184 M204 I208 L217 T221V184-F223 HydrophobicContact CB-CD1 3.87Å; V184-F223 HydrophobicContact CB-CE1 4.19Å; V184-F223 HydrophobicContact CG2-CD1 4.1Å; V184-F223 HydrophobicContact CG2-CE1 3.91Å; V184-F223 WeakPolarHBondContact O-CA 3.44Å; M204-F223 HydrophobicContact CE-CB 3.86Å; M204-F223 HydrophobicContact CE-CD1 3.64Å; M204-F223 HydrophobicContact CE-CD2 3.9Å; M204-F223 HydrophobicContact CE-CE1 4.1Å; M204-F223 HydrophobicContact CE-CE2 4.33Å; M204-F223 HydrophobicContact CE-CG 3.53Å; M204-F223 HydrophobicContact CE-CZ 4.41Å; M204-F223 HydrophobicContact SD-CD1 4.4Å; M204-F223 HydrophobicContact SD-CE1 4.36Å; I208-F223 HydrophobicContact CD1-CD1 4.27Å; I208-F223 HydrophobicContact CG2-CD1 4.1Å; I208-F223 HydrophobicContact CG2-CE1 3.71Å; L217-F223 HydrophobicContact CD2-CE1 4.42Å; L217-F223 HydrophobicContact CD2-CZ 4.11Å; T221-F223 HydrophobicContact CG2-CE1 4.11Å; T221-F223 HydrophobicContact CG2-CE2 3.85Å; T221-F223 HydrophobicContact CG2-CZ 3.63Å; T221-F223 WeakPolarHBondContact O-CD2 3.32Å; T221-F223 WeakPolarHBondContact O-CE2 3.32Å
224F98.6Very high97Very high94 Ų9467.3 Ų67.341%0.41237%0.374SS..EExtended strand (participates in β ladder)trans-117.689179.4-59.1-79.3000109.4A183 V184 V185 L186 K222 P227A183-F224 HydrophobicContact CB-CE2 4.22Å; V184-F224 PolarHBondContact O-N 2.99Å; V185-F224 WeakPolarHBondContact CA-O 3.46Å; V185-F224 HydrophobicContact CB-CB 4.35Å; V185-F224 HydrophobicContact CG1-CB 4.15Å; V185-F224 HydrophobicContact CG2-CB 4.08Å; V185-F224 HydrophobicContact CG2-CD2 4.06Å; V185-F224 HydrophobicContact CG2-CG 4.46Å; L186-F224 PolarHBondContact N-O 3.34Å; K222-F224 HydrophobicContact CB-CD2 4.39Å; K222-F224 HydrophobicContact CB-CE2 3.61Å; K222-F224 HydrophobicContact CB-CZ 3.99Å; K222-F224 HydrophobicContact CD-CE2 4.34Å; K222-F224 HydrophobicContact CD-CZ 4.31Å; F224-P227 HydrophobicContact CB-CB 4.28Å; F224-P227 HydrophobicContact CB-CG 4.43Å
225I98.7Very high97Very high10 Ų1063.6 Ų63.65%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-99.3118.4179.1-60.1166.2000109.2L186 Q196 L199 Q200 V203 M204 I208L186-I225 WeakPolarHBondContact O-CA 3.39Å; Q196-I225 PolarHBondContact NE2-O 3.05Å; L199-I225 HydrophobicContact CD2-CG2 3.6Å; Q200-I225 HydrophobicContact CB-CD1 4.46Å; Q200-I225 HydrophobicContact CB-CG2 4.46Å; Q200-I225 HydrophobicContact CG-CB 3.95Å; Q200-I225 HydrophobicContact CG-CG2 3.94Å; Q200-I225 PolarHBondContact NE2-O 3.35Å; Q200-I225 VanDerWaalsContact NE2-O 3.12Å; Q200-I225 WeakPolarHBondContact O-CD1 3.26Å; V203-I225 HydrophobicContact CB-CD1 4.15Å; V203-I225 HydrophobicContact CB-CG2 3.87Å; V203-I225 HydrophobicContact CG1-CD1 3.87Å; V203-I225 HydrophobicContact CG1-CG1 3.97Å; V203-I225 HydrophobicContact CG1-CG2 3.78Å; V203-I225 HydrophobicContact CG2-CG2 4.08Å; M204-I225 HydrophobicContact CB-CD1 4.27Å; M204-I225 HydrophobicContact CE-CD1 4.24Å; I208-I225 HydrophobicContact CD1-CD1 3.85Å; I208-I225 HydrophobicContact CD1-CG1 3.89Å
226N98.4Very high97Very high3 Ų356.7 Ų56.72%0.01631%0.311CS..SBendtrans45.460.6-172.6-8028.8000111.9L186 S187 T188 H190 Q196 L199 T228 G229L186-N226 PolarHBondContact O-N 2.97Å; S187-N226 VanDerWaalsContact CA-OD1 3.26Å; S187-N226 WeakPolarHBondContact CA-OD1 3.33Å; T188-N226 PolarHBondContact N-OD1 3.42Å; T188-N226 PolarHBondContact O-ND2 3.36Å; H190-N226 PolarHBondContact CD2-ND2 3.37Å; Q196-N226 PolarHBondContact NE2-O 3.29Å; L199-N226 HydrophobicContact CD2-CB 4.15Å; N226-T228 PolarHBondContact O-N 2.92Å; N226-T228 VanDerWaalsContact O-N 3.14Å; N226-G229 WeakPolarHBondContact CB-O 3.34Å; N226-G229 WeakPolarHBondContact O-CA 3.28Å; N226-G229 PolarHBondContact O-N 3.4Å
227P97.1Very high97Very high77 Ų7758.5 Ų58.550%0.532%0.322SS..THydrogen-bonded Turntrans-64.5-21.1-169.525.7-34.9000114.5V185 F224 G229V185-P227 HydrophobicContact CG1-CG 4.25Å; F224-P227 HydrophobicContact CB-CB 4.28Å; F224-P227 HydrophobicContact CB-CG 4.43Å; P227-G229 VanDerWaalsContact C-N 3.29Å
228T94.8Very high96.9Very high128 Ų12858 Ų5879%0.78533%0.328SS*.THydrogen-bonded Turntrans-89.35.6174.257.90000112.9N226N226-T228 PolarHBondContact O-N 2.92Å; N226-T228 VanDerWaalsContact O-N 3.14Å
229G95Very high96.9Very high24 Ų2458.4 Ų58.425%0.24733%0.327CS..SBendtrans80.3-127.8-173.300000111.9N226 P227 F231N226-G229 WeakPolarHBondContact CB-O 3.34Å; N226-G229 WeakPolarHBondContact O-CA 3.28Å; N226-G229 PolarHBondContact O-N 3.4Å; P227-G229 VanDerWaalsContact C-N 3.29Å; G229-F231 PolarHBondContact O-N 3.39Å
230R95.5Very high97Very high162 Ų16254.2 Ų54.261%0.61130%0.297SS*.  trans-63.9133.6-170.5-73.2167.751.2112.2-0.1112.6E192E192-R230 IonicContact OE1-CZ 3.69Å; E192-R230 IonicContact OE1-NH2 3.63Å; E192-R230 PolarHBondContact OE1-NH2 3.03Å; E192-R230 IonicContact OE2-CZ 2.76Å; E192-R230 IonicContact OE2-NH1 3.09Å; E192-R230 PolarHBondContact OE2-NH1 3.25Å; E192-R230 IonicContact OE2-NH2 3.49Å; E192-R230 PolarHBondContact OE2-NH2 3.34Å
231F97.6Very high97.1Very high40 Ų4051 Ų5118%0.17527%0.271CS..  trans-128.966.6171.6-169.1-167.1000110D164 Q189 H190 G229 I233D164-F231 HydrophobicContact CB-CZ 4.37Å; Q189-F231 CarbonylContact C-O 3.48Å; Q189-F231 WeakPolarHBondContact CA-O 3.44Å; Q189-F231 HydrophobicContact CB-CD1 4.31Å; Q189-F231 HydrophobicContact CB-CE1 4.36Å; Q189-F231 HydrophobicContact CB-CG 4.46Å; Q189-F231 VanDerWaalsContact CG-O 3.26Å; Q189-F231 WeakPolarHBondContact CG-O 3.48Å; H190-F231 PolarHBondContact N-O 3.22Å; H190-F231 PolarHBondContact NE2-N 3.41Å; G229-F231 PolarHBondContact O-N 3.39Å; F231-I233 VanDerWaalsContact CD2-O 3.23Å; F231-I233 WeakPolarHBondContact CD2-O 3.46Å; F231-I233 WeakPolarHBondContact CE2-O 3.38Å
232V97.1Very high97.1Very high16 Ų1653.2 Ų53.210%0.09728%0.282CS..  trans-85.8-42.9-177.5177.60000112R162 Q189 H190 E192R162-V232 PolarHBondContact NH1-O 3.48Å; Q189-V232 PolarHBondContact NE2-O 2.86Å; H190-V232 WeakPolarHBondContact O-CA 3.36Å; E192-V232 HydrophobicContact CG-CG1 4.05Å
233I96Very high97.1Very high100 Ų10049.1 Ų49.151%0.51327%0.265SS..SBendtrans-87.6122.6175.1-60173.5000107.8F231 M237F231-I233 VanDerWaalsContact CD2-O 3.23Å; F231-I233 WeakPolarHBondContact CD2-O 3.46Å; F231-I233 WeakPolarHBondContact CE2-O 3.38Å; I233-M237 HydrophobicContact CG2-CB 4.17Å; I233-M237 HydrophobicContact CG2-CG 3.89Å; I233-M237 HydrophobicContact CG2-SD 3.89Å
234G96.3Very high97.1Very high1 Ų146.6 Ų46.61%0.0126%0.258CS..  trans-148.8-167.318000000111.2G238G234-G238 PolarHBondContact O-N 2.81Å
235G97Very high97.1Very high0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans61-152.4178.800000113.1Y78 D164 M237 G238 D239Y78-G235 WeakPolarHBondContact OH-CA 3.3Å; Y78-G235 PolarHBondContact OH-N 3.48Å; D164-G235 PolarHBondContact OD2-N 3.01Å; G235-M237 PolarHBondContact O-N 3.39Å; G235-M237 VanDerWaalsContact O-N 3.14Å; G235-G238 PolarHBondContact O-N 2.83Å; G235-G238 VanDerWaalsContact O-N 3.1Å; G235-D239 PolarHBondContact O-N 3.39Å
236P97.4Very high97.1Very high0 Ų050.5 Ų50.50%027%0.271CS..Hα-helixtrans-61.1-21.7-179.7-29.139.2000115.2P16 I19 V46 K47 T48 F85 D239P16-P236 HydrophobicContact CB-CG 4.35Å; I19-P236 HydrophobicContact CD1-CG 3.7Å; V46-P236 HydrophobicContact CB-CG 4.47Å; V46-P236 HydrophobicContact CG1-CB 3.76Å; V46-P236 HydrophobicContact CG1-CG 3.36Å; K47-P236 WeakPolarHBondContact CD-O 3.46Å; K47-P236 PolarHBondContact NZ-O 3.1Å; T48-P236 PolarHBondContact N-O 3.36Å; T48-P236 VanDerWaalsContact N-O 3.09Å; T48-P236 PolarHBondContact OG1-O 3.3Å; F85-P236 HydrophobicContact CB-CB 4.39Å; F85-P236 HydrophobicContact CB-CG 4.19Å; F85-P236 HydrophobicContact CD1-CB 4.44Å; F85-P236 HydrophobicContact CD1-CG 3.77Å; F85-P236 HydrophobicContact CD2-CB 3.62Å; F85-P236 HydrophobicContact CD2-CG 3.88Å; F85-P236 HydrophobicContact CE1-CG 4.02Å; F85-P236 HydrophobicContact CE2-CB 3.89Å; F85-P236 HydrophobicContact CE2-CG 4.13Å; F85-P236 HydrophobicContact CG-CB 3.92Å; F85-P236 HydrophobicContact CG-CG 3.69Å; F85-P236 HydrophobicContact CZ-CB 4.4Å; F85-P236 HydrophobicContact CZ-CG 4.19Å; P236-D239 CarbonylContact C-O 3.55Å; P236-D239 VanDerWaalsContact CA-O 3.28Å; P236-D239 WeakPolarHBondContact CA-O 3.27Å
237M96.5Very high97.2Very high81 Ų8152.1 Ų52.140%0.39928%0.279SS..Hα-helixtrans-68.2-47.4174.2-169.6179.2-178.200110.8K47 T48 G84 I233 G235K47-M237 PolarHBondContact NZ-O 3.48Å; K47-M237 VanDerWaalsContact NZ-O 3.11Å; T48-M237 HydrophobicContact CG2-CG 4.45Å; G84-M237 WeakPolarHBondContact CA-SD 3.35Å; G84-M237 WeakPolarHBondContact O-CB 3.32Å; I233-M237 HydrophobicContact CG2-CB 4.17Å; I233-M237 HydrophobicContact CG2-CG 3.89Å; I233-M237 HydrophobicContact CG2-SD 3.89Å; G235-M237 PolarHBondContact O-N 3.39Å; G235-M237 VanDerWaalsContact O-N 3.14Å
238G95Very high97.2Very high33 Ų3351.8 Ų51.834%0.3427%0.272SS..Hα-helixtrans-66.6-60.417700000111.4K47 G234 G235K47-G238 PolarHBondContact NZ-O 3.21Å; G234-G238 PolarHBondContact O-N 2.81Å; G235-G238 PolarHBondContact O-N 2.83Å; G235-G238 VanDerWaalsContact O-N 3.1Å
239D96Very high97.4Very high78 Ų7846 Ų4642%0.41724%0.237SC..SBendtrans-125.3163.9-168.8-65.9-18.3000111.5P16 K47 K166 G235 P236P16-D239 HydrophobicContact CG-CB 3.89Å; K47-D239 PolarHBondContact NZ-O 2.96Å; K166-D239 IonicContact NZ-OD2 2.8Å; G235-D239 PolarHBondContact O-N 3.39Å; P236-D239 CarbonylContact C-O 3.55Å; P236-D239 VanDerWaalsContact CA-O 3.28Å; P236-D239 WeakPolarHBondContact CA-O 3.27Å
240C98Very high97.6Very high48 Ų4845 Ų4532%0.32423%0.226SC..  trans-88141.5171.9-179.30000109.6Y45 K47Y45-C240 WeakPolarHBondContact CE2-SG 3.25Å; Y45-C240 PolarHBondContact OH-SG 2.76Å; K47-C240 HydrophobicContact CD-CB 3.98Å
241G98.7Very high97.8Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-115.5137.1177.200000112.3P16 D17 V46P16-G241 VanDerWaalsContact C-CA 3.42Å; D17-G241 VanDerWaalsContact OD1-CA 3.27Å; D17-G241 WeakPolarHBondContact OD1-CA 3.46Å; V46-G241 PolarHBondContact N-O 2.91Å; V46-G241 PolarHBondContact O-N 3.44Å
242L98.8Very high97.8Very high56 Ų5635.7 Ų35.729%0.29319%0.19SC..EExtended strand (participates in β ladder)trans-137.6147.3170.1-54.886000111.1D17 A20 T44 Y45 R245D17-L242 PolarHBondContact OD1-N 3.43Å; A20-L242 VanDerWaalsContact CB-C 3.44Å; T44-L242 WeakPolarHBondContact O-CA 3.48Å; Y45-L242 HydrophobicContact CD2-CD1 4.48Å; Y45-L242 HydrophobicContact CD2-CD2 4.03Å; Y45-L242 HydrophobicContact CD2-CG 3.94Å; L242-R245 HydrophobicContact CB-CG 3.74Å; L242-R245 WeakPolarHBondContact O-CB 3.3Å; L242-R245 WeakPolarHBondContact O-CG 3.47Å; L242-R245 PolarHBondContact O-N 3.19Å
243T98.9Very high97.9Very high11 Ų1135.2 Ų35.27%0.06719%0.189CC..THydrogen-bonded Turntrans-54.2140.4171.7-56.70000110.5A20 D21 S24 E43 T44 R245A20-T243 VanDerWaalsContact CB-N 3.33Å; A20-T243 PolarHBondContact O-OG1 3.15Å; D21-T243 WeakPolarHBondContact OD1-CA 3.38Å; S24-T243 WeakPolarHBondContact OG-CG2 3.32Å; S24-T243 PolarHBondContact OG-OG1 2.99Å; E43-T243 VanDerWaalsContact OE2-CB 3.31Å; E43-T243 WeakPolarHBondContact OE2-CB 3.34Å; E43-T243 WeakPolarHBondContact OE2-CG2 3.16Å; T44-T243 WeakPolarHBondContact CB-OG1 3.32Å; T44-T243 PolarHBondContact N-OG1 3.05Å; T44-T243 PolarHBondContact O-N 3.22Å; T44-T243 PolarHBondContact O-OG1 2.83Å; T243-R245 VanDerWaalsContact C-N 3.32Å; T243-R245 PolarHBondContact O-N 2.82Å
244G98.6Very high98Very high16 Ų1632.5 Ų32.517%0.16519%0.185CC..THydrogen-bonded Turntrans72.119.5174.600000115.2D21 I247 A262D21-G244 PolarHBondContact OD1-N 3.26Å; G244-I247 WeakPolarHBondContact O-CG2 3.16Å; G244-A262 VanDerWaalsContact CA-CB 3.42Å
245R98.8Very high98.1Very high152 Ų15234.4 Ų34.457%0.57419%0.194SC*.SBendtrans-97.38176.3-64.2-58.4-56.4-72.1-3.4114.3D17 L242 T243D17-R245 HydrophobicContact CB-CB 4.17Å; D17-R245 WeakPolarHBondContact OD1-CB 3.24Å; L242-R245 HydrophobicContact CB-CG 3.74Å; L242-R245 WeakPolarHBondContact O-CB 3.3Å; L242-R245 WeakPolarHBondContact O-CG 3.47Å; L242-R245 PolarHBondContact O-N 3.19Å; T243-R245 VanDerWaalsContact C-N 3.32Å; T243-R245 PolarHBondContact O-N 2.82Å
246K98.8Very high98.2Very high34 Ų3435 Ų3515%0.14820%0.199CC..  trans-128.425.8179.7-69.9-70.7169.7-72.40113.4V11 H15 D17 K18 I248 V249 D250V11-K246 HydrophobicContact CG2-CD 3.97Å; V11-K246 HydrophobicContact CG2-CG 4.28Å; H15-K246 VanDerWaalsContact CE1-CE 3.44Å; H15-K246 WeakPolarHBondContact CE1-CE 3.48Å; D17-K246 HydrophobicContact CB-CG 3.75Å; D17-K246 IonicContact OD2-NZ 3.15Å; D17-K246 PolarHBondContact OD2-NZ 2.99Å; K18-K246 HydrophobicContact CD-CB 4.2Å; K18-K246 HydrophobicContact CD-CG 4.32Å; K246-I248 VanDerWaalsContact C-N 3.27Å; K246-I248 PolarHBondContact O-N 3.39Å; K246-V249 HydrophobicContact CB-CB 4.23Å; K246-V249 HydrophobicContact CD-CB 4.49Å; K246-V249 HydrophobicContact CD-CG2 4Å; K246-V249 CarbonylContact O-C 3.48Å; K246-V249 WeakPolarHBondContact O-CA 3.37Å; K246-V249 VanDerWaalsContact O-CB 3.29Å; K246-V249 WeakPolarHBondContact O-CB 3.36Å; K246-V249 PolarHBondContact O-N 3.18Å; K246-D250 PolarHBondContact O-N 3.33Å
247I98.8Very high98.2Very high37 Ų3741.2 Ų41.219%0.1922%0.223CC..Hα-helixtrans-54.5-32.3-175.168.3-174000115.5G244 D250 T251 A262G244-I247 WeakPolarHBondContact O-CG2 3.16Å; I247-D250 PolarHBondContact O-N 3.5Å; I247-T251 WeakPolarHBondContact O-CG2 3.4Å; I247-T251 PolarHBondContact O-N 3.2Å; I247-T251 PolarHBondContact O-OG1 2.94Å; I247-A262 HydrophobicContact CG2-CB 4.03Å
248I98.9Very high98.3Very high71 Ų7139.5 Ų39.536%0.36421%0.214SC..Hα-helixtrans-77.4-33.8176.5-58.6-57.1000111.5K246 D250 T251 G253 G254 H258K246-I248 VanDerWaalsContact C-N 3.27Å; K246-I248 PolarHBondContact O-N 3.39Å; I248-D250 VanDerWaalsContact C-N 3.3Å; I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 2.73Å; I248-G253 WeakPolarHBondContact O-CA 3.47Å; I248-G253 PolarHBondContact O-N 3.45Å; I248-G254 VanDerWaalsContact CG2-N 3.31Å; I248-H258 HydrophobicContact CD1-CB 3.63Å
249V98.9Very high98.5Very high7 Ų739.2 Ų39.24%0.04221%0.21CC..Hα-helixtrans-66.8-36.4170.1176.30000109.7E9 S10 H143 K246 T251E9-V249 HydrophobicContact CG-CG2 4.49Å; S10-V249 WeakPolarHBondContact OG-CG1 3.38Å; H143-V249 PolarHBondContact CE1-O 2.83Å; H143-V249 PolarHBondContact NE2-O 3.47Å; K246-V249 HydrophobicContact CB-CB 4.23Å; K246-V249 HydrophobicContact CD-CB 4.49Å; K246-V249 HydrophobicContact CD-CG2 4Å; K246-V249 CarbonylContact O-C 3.48Å; K246-V249 WeakPolarHBondContact O-CA 3.37Å; K246-V249 VanDerWaalsContact O-CB 3.29Å; K246-V249 WeakPolarHBondContact O-CB 3.36Å; K246-V249 PolarHBondContact O-N 3.18Å; V249-T251 PolarHBondContact O-N 2.98Å
250D98.9Very high98.6Very high2 Ų237.9 Ų37.91%0.01122%0.215CC..Hα-helixtrans-70-18.7179.7-71.8-33.2000115K18 K246 I247 I248 F263 H360K18-D250 VanDerWaalsContact CE-OD1 3.32Å; K18-D250 WeakPolarHBondContact CE-OD1 3.22Å; K18-D250 IonicContact NZ-OD1 3.49Å; K18-D250 PolarHBondContact NZ-OD1 2.93Å; K18-D250 IonicContact NZ-OD2 2.59Å; K18-D250 PolarHBondContact NZ-OD2 2.91Å; K246-D250 PolarHBondContact O-N 3.33Å; I247-D250 PolarHBondContact O-N 3.5Å; I248-D250 VanDerWaalsContact C-N 3.3Å; D250-F263 HydrophobicContact CB-CD2 3.98Å; D250-F263 HydrophobicContact CB-CE2 3.95Å; D250-H360 PolarHBondContact O-N 2.75Å; D250-H360 IonicContact OD1-CD2 3.41Å; D250-H360 IonicContact OD1-NE2 2.73Å
251T98.9Very high98.5Very high5 Ų536.1 Ų36.13%0.03121%0.205CC..THydrogen-bonded Turntrans-113.5-107.1-172.954.50000111.8M135 I247 I248 V249 H258 F263 F361M135-T251 WeakPolarHBondContact CE-O 3.34Å; I247-T251 WeakPolarHBondContact O-CG2 3.4Å; I247-T251 PolarHBondContact O-N 3.2Å; I247-T251 PolarHBondContact O-OG1 2.94Å; I248-T251 PolarHBondContact O-N 2.99Å; I248-T251 PolarHBondContact O-OG1 2.73Å; V249-T251 PolarHBondContact O-N 2.98Å; T251-H258 WeakPolarHBondContact CG2-NE2 3.42Å; T251-H258 PolarHBondContact OG1-CD2 3.09Å; T251-F263 HydrophobicContact CG2-CE2 3.46Å; T251-F263 VanDerWaalsContact CG2-CE2 3.46Å; T251-F263 HydrophobicContact CG2-CZ 3.4Å; T251-F263 VanDerWaalsContact CG2-CZ 3.4Å; T251-F361 HydrophobicContact CG2-CE2 3.77Å
252Y98.9Very high98.5Very high1 Ų136.9 Ų36.90%0.00421%0.211CC..THydrogen-bonded Turntrans-118.815.4-164.2-50-69.1000112.9G125 Y126 M135 G254 M255 A256 F361G125-Y252 VanDerWaalsContact CA-OH 3.31Å; G125-Y252 WeakPolarHBondContact CA-OH 3.38Å; Y126-Y252 HydrophobicContact CD1-CD1 4.39Å; Y126-Y252 PolarHBondContact N-OH 3.34Å; Y126-Y252 WeakPolarHBondContact O-CE1 3.49Å; M135-Y252 HydrophobicContact CE-CD1 4.01Å; M135-Y252 HydrophobicContact SD-CD1 4.03Å; M135-Y252 HydrophobicContact SD-CE1 4.15Å; Y252-G254 PolarHBondContact O-N 2.58Å; Y252-G254 VanDerWaalsContact O-N 3.09Å; Y252-M255 WeakPolarHBondContact O-CB 3.29Å; Y252-M255 PolarHBondContact O-N 3.27Å; Y252-A256 HydrophobicContact CD2-CB 3.66Å; Y252-A256 HydrophobicContact CE2-CB 4.46Å; Y252-A256 HydrophobicContact CG-CB 3.89Å; Y252-F361 HydrophobicContact CD1-CD2 4.1Å; Y252-F361 HydrophobicContact CE1-CB 4.5Å; Y252-F361 AromaticContact CE1-CD2 3.39Å; Y252-F361 HydrophobicContact CE1-CD2 3.39Å; Y252-F361 AromaticContact CE1-CE2 3.89Å; Y252-F361 HydrophobicContact CE1-CE2 3.89Å; Y252-F361 HydrophobicContact CE1-CG 4.2Å; Y252-F361 HydrophobicContact CE2-CD2 4.22Å; Y252-F361 AromaticContact CE2-CE2 3.91Å; Y252-F361 HydrophobicContact CE2-CE2 3.91Å; Y252-F361 AromaticContact CZ-CD2 3.46Å; Y252-F361 VanDerWaalsContact CZ-CD2 3.46Å; Y252-F361 AromaticContact CZ-CE2 3.42Å; Y252-F361 VanDerWaalsContact CZ-CE2 3.42Å; Y252-F361 VanDerWaalsContact OH-CE2 3.24Å; Y252-F361 WeakPolarHBondContact OH-CE2 3.23Å
253G98.7Very high98.5Very high7 Ų734.4 Ų34.47%0.07220%0.198CC..THydrogen-bonded Turntrans56.629.2176.700000114.5S8 I248S8-G253 WeakPolarHBondContact CB-O 3.4Å; S8-G253 PolarHBondContact OG-O 3.1Å; I248-G253 WeakPolarHBondContact O-CA 3.47Å; I248-G253 PolarHBondContact O-N 3.45Å
254G98.2Very high98.5Very high42 Ų4234 Ų3443%0.43320%0.195SC..THydrogen-bonded Turntrans87.6-3.2-179.200000115.3I248 Y252 A256I248-G254 VanDerWaalsContact CG2-N 3.31Å; Y252-G254 PolarHBondContact O-N 2.58Å; Y252-G254 VanDerWaalsContact O-N 3.09Å; G254-A256 VanDerWaalsContact C-N 3.29Å; G254-A256 PolarHBondContact O-N 3.34Å
255M98Very high98.5Very high41 Ų4133.2 Ų33.220%0.20219%0.188CC..SBendtrans-69.2-31.5179.4-170.467.17800112F6 Y126 P136 P138 Y173 Y252F6-M255 HydrophobicContact CD1-CE 3.65Å; F6-M255 HydrophobicContact CD1-SD 4.44Å; F6-M255 HydrophobicContact CD2-CE 4.47Å; F6-M255 HydrophobicContact CD2-SD 4.39Å; F6-M255 HydrophobicContact CE1-CB 4.3Å; F6-M255 HydrophobicContact CE1-CE 3.82Å; F6-M255 HydrophobicContact CE1-SD 4.25Å; F6-M255 HydrophobicContact CE2-SD 4.21Å; F6-M255 HydrophobicContact CG-CE 4.01Å; F6-M255 HydrophobicContact CZ-CB 4.2Å; F6-M255 HydrophobicContact CZ-CE 4.32Å; F6-M255 HydrophobicContact CZ-SD 4.16Å; Y126-M255 HydrophobicContact CE1-CG 4.11Å; P136-M255 HydrophobicContact CB-CB 3.79Å; P136-M255 HydrophobicContact CB-CE 3.96Å; P136-M255 HydrophobicContact CB-CG 3.81Å; P136-M255 HydrophobicContact CG-CB 3.61Å; P136-M255 HydrophobicContact CG-CG 3.8Å; P138-M255 HydrophobicContact CG-CE 4.23Å; Y173-M255 WeakPolarHBondContact OH-CE 3.32Å; Y252-M255 WeakPolarHBondContact O-CB 3.29Å; Y252-M255 PolarHBondContact O-N 3.27Å
256A98.3Very high98.5Very high13 Ų1327 Ų2711%0.10717%0.165CC..SBendtrans-117.6162177.700000110.8Y126 Y252 G254 E296Y126-A256 HydrophobicContact CD1-CB 4.33Å; Y126-A256 HydrophobicContact CD2-CB 3.72Å; Y126-A256 HydrophobicContact CE2-CB 4.48Å; Y126-A256 HydrophobicContact CG-CB 3.62Å; Y252-A256 HydrophobicContact CD2-CB 3.66Å; Y252-A256 HydrophobicContact CE2-CB 4.46Å; Y252-A256 HydrophobicContact CG-CB 3.89Å; G254-A256 VanDerWaalsContact C-N 3.29Å; G254-A256 PolarHBondContact O-N 3.34Å; A256-E296 WeakPolarHBondContact CA-OE2 3.42Å; A256-E296 WeakPolarHBondContact CB-OE2 3.48Å
257R98.5Very high98.4Very high131 Ų13125.7 Ų25.749%0.49416%0.159SC..  trans-66.4161.2175.3-62.3172.2-170.9155.11.7110.6F124 E296F124-R257 VanDerWaalsContact CB-O 3.25Å; F124-R257 WeakPolarHBondContact CB-O 3.25Å; F124-R257 HydrophobicContact CD1-CB 3.76Å; F124-R257 HydrophobicContact CD2-CB 3.88Å; F124-R257 HydrophobicContact CE1-CB 3.61Å; F124-R257 HydrophobicContact CE1-CG 4.29Å; F124-R257 HydrophobicContact CE2-CB 3.71Å; F124-R257 HydrophobicContact CG-CB 3.88Å; F124-R257 HydrophobicContact CZ-CB 3.57Å; F124-R257 HydrophobicContact CZ-CG 4.35Å; R257-E296 WeakPolarHBondContact CD-OE1 3.35Å; R257-E296 IonicContact CZ-OE1 3.06Å; R257-E296 PolarHBondContact N-OE2 3.09Å; R257-E296 IonicContact NE-OE1 3.91Å; R257-E296 IonicContact NH1-OE1 3.94Å; R257-E296 PolarHBondContact NH1-OE1 2.99Å
258H98.6Very high98.3Very high45 Ų4524 Ų2421%0.20815%0.151CC..  trans-133.5146-180-163.6-86.3000111.5I248 T251 G260 G261I248-H258 HydrophobicContact CD1-CB 3.63Å; T251-H258 WeakPolarHBondContact CG2-NE2 3.42Å; T251-H258 PolarHBondContact OG1-CD2 3.09Å; H258-G260 PolarHBondContact ND1-N 3.24Å; H258-G261 PolarHBondContact CE1-O 3.45Å
259G97.9Very high98Very high26 Ų2620.7 Ų20.727%0.26813%0.134SC..  trans-80.1-29.2-175.500000116L122L122-G259 WeakPolarHBondContact O-CA 3.34Å
260G97.9Very high97.7Very high50 Ų5021.5 Ų21.552%0.51514%0.137SC..SBendtrans105.2-21.4-176.900000113.5H258H258-G260 PolarHBondContact ND1-N 3.24Å
261G97.8Very high97.6Very high12 Ų1221.5 Ų21.512%0.12414%0.137CC..  trans-67.6129176.100000113H258H258-G261 PolarHBondContact CE1-O 3.45Å
262A98.7Very high97.5Very high15 Ų1522.4 Ų22.412%0.12414%0.142CC..  trans-77.2161.5168.100000111.8G244 I247 K266G244-A262 VanDerWaalsContact CA-CB 3.42Å; I247-A262 HydrophobicContact CG2-CB 4.03Å; A262-K266 VanDerWaalsContact O-CD 3.31Å; A262-K266 WeakPolarHBondContact O-CD 3.42Å; A262-K266 VanDerWaalsContact O-CE 3.3Å; A262-K266 WeakPolarHBondContact O-CE 3.23Å; A262-K266 PolarHBondContact O-NZ 2.92Å
263F98.8Very high97.5Very high5 Ų522.4 Ų22.42%0.02214%0.142CC..  trans-101.6-56.5-178.9-53.4-35.2000112.9D250 T251 K266 D272 R273 A276 Y277 H360 F361D250-F263 HydrophobicContact CB-CD2 3.98Å; D250-F263 HydrophobicContact CB-CE2 3.95Å; T251-F263 HydrophobicContact CG2-CE2 3.46Å; T251-F263 VanDerWaalsContact CG2-CE2 3.46Å; T251-F263 HydrophobicContact CG2-CZ 3.4Å; T251-F263 VanDerWaalsContact CG2-CZ 3.4Å; F263-K266 WeakPolarHBondContact O-CB 3.46Å; F263-K266 PolarHBondContact O-N 3.01Å; F263-D272 VanDerWaalsContact CE1-O 3.31Å; F263-D272 WeakPolarHBondContact CE1-O 3.31Å; F263-R273 VanDerWaalsContact C-CZ 3.49Å; F263-R273 HydrophobicContact CD1-CB 4.49Å; F263-R273 PolarHBondContact O-NE 3.07Å; F263-R273 PolarHBondContact O-NH2 2.99Å; F263-A276 HydrophobicContact CE1-CB 3.66Å; F263-A276 HydrophobicContact CZ-CB 4Å; F263-Y277 HydrophobicContact CD2-CE1 4.46Å; F263-Y277 HydrophobicContact CG-CE1 4.45Å; F263-H360 HydrophobicContact CD2-CB 4.36Å; F263-H360 AromaticContact CD2-CD2 3.66Å; F263-H360 AromaticContact CD2-CE1 3.63Å; F263-H360 AromaticContact CD2-CG 3.61Å; F263-H360 AromaticContact CD2-ND1 3.56Å; F263-H360 AromaticContact CD2-NE2 3.65Å; F263-H360 HydrophobicContact CE2-CB 4.42Å; F263-F361 HydrophobicContact CE2-CZ 4.41Å; F263-F361 HydrophobicContact CZ-CZ 4.34Å
264S98.9Very high97.5Very high1 Ų122.1 Ų22.11%0.00714%0.138CC..THydrogen-bonded Turntrans-52.7139.1-170.7-53.70000114D21 D25 K266D21-S264 WeakPolarHBondContact CB-OG 3.3Å; D21-S264 WeakPolarHBondContact OD1-CB 3.2Å; D21-S264 PolarHBondContact OD1-OG 3.22Å; D25-S264 WeakPolarHBondContact OD1-CA 3.31Å; D25-S264 PolarHBondContact OD2-OG 3.29Å; S264-K266 VanDerWaalsContact C-N 3.3Å; S264-K266 PolarHBondContact O-N 3.07Å
265G98.6Very high97.5Very high0 Ų020.1 Ų20.10%012%0.118CC..THydrogen-bonded Turntrans787.1179.100000115.2D25 V40 A41 C42D25-G265 PolarHBondContact OD1-N 2.75Å; V40-G265 CarbonylContact C-O 3.57Å; V40-G265 WeakPolarHBondContact CG1-O 3.22Å; A41-G265 CarbonylContact C-O 3.48Å; A41-G265 VanDerWaalsContact CA-O 3.3Å; A41-G265 WeakPolarHBondContact CA-O 3.46Å; C42-G265 PolarHBondContact N-O 3.16Å; C42-G265 WeakPolarHBondContact O-CA 3.44Å
266K98.4Very high97.5Very high23 Ų2318.4 Ų18.410%0.111%0.11CC..BIsolated β-bridgetrans-109.8129.1-178.4-60.5-179.4-179175.50112.1L28 V40 A262 F263 S264 K270 D272 R273L28-K266 WeakPolarHBondContact CD2-O 3.48Å; V40-K266 WeakPolarHBondContact O-CA 3.43Å; A262-K266 VanDerWaalsContact O-CD 3.31Å; A262-K266 WeakPolarHBondContact O-CD 3.42Å; A262-K266 VanDerWaalsContact O-CE 3.3Å; A262-K266 WeakPolarHBondContact O-CE 3.23Å; A262-K266 PolarHBondContact O-NZ 2.92Å; F263-K266 WeakPolarHBondContact O-CB 3.46Å; F263-K266 PolarHBondContact O-N 3.01Å; S264-K266 VanDerWaalsContact C-N 3.3Å; S264-K266 PolarHBondContact O-N 3.07Å; K266-K270 HydrophobicContact CB-CB 3.95Å; K266-K270 HydrophobicContact CB-CG 4.12Å; K266-K270 HydrophobicContact CD-CB 4.16Å; K266-K270 HydrophobicContact CD-CG 4.31Å; K266-K270 HydrophobicContact CG-CB 4.48Å; K266-K270 HydrophobicContact CG-CG 4.39Å; K266-D272 HydrophobicContact CD-CB 4.37Å; K266-D272 IonicContact NZ-OD2 2.64Å; K266-D272 PolarHBondContact NZ-OD2 3.15Å; K266-R273 WeakPolarHBondContact O-CD 3.41Å; K266-R273 PolarHBondContact O-NH1 3.45Å
267D97Very high97.5Very high5 Ų517.8 Ų17.83%0.02711%0.105CC..  trans-70.4161.7171.277.684.2000111.9L28 R39 V40 S269 K270L28-D267 HydrophobicContact CD1-CB 4.04Å; R39-D267 VanDerWaalsContact CA-OD2 3.26Å; R39-D267 WeakPolarHBondContact CA-OD2 3.36Å; V40-D267 HydrophobicContact CB-CB 4.26Å; V40-D267 PolarHBondContact N-OD2 3.34Å; V40-D267 PolarHBondContact O-N 3.1Å; D267-S269 PolarHBondContact O-N 2.9Å; D267-S269 WeakPolarHBondContact OD1-CB 3.11Å; D267-S269 PolarHBondContact OD1-N 3.2Å; D267-S269 PolarHBondContact OD1-OG 3.33Å; D267-S269 PolarHBondContact OD2-OG 3.02Å; D267-K270 WeakPolarHBondContact O-CB 3.35Å; D267-K270 PolarHBondContact O-N 3.48Å; D267-K270 WeakPolarHBondContact OD2-CD 3.34Å; D267-K270 WeakPolarHBondContact OD2-CE 3.33Å; D267-K270 IonicContact OD2-NZ 3.07Å; D267-K270 PolarHBondContact OD2-NZ 3.41Å
268P95.5Very high97.5Very high1 Ų111.5 Ų11.51%0.0068%0.082CC..THydrogen-bonded Turntrans-61.8-12.6-174.6-29.640.4000116.9K270 S274 I342 L347 L348 Y352P268-K270 PolarHBondContact O-N 2.84Å; P268-S274 VanDerWaalsContact O-CB 3.24Å; P268-S274 WeakPolarHBondContact O-CB 3.34Å; P268-S274 PolarHBondContact O-OG 3.49Å; P268-I342 HydrophobicContact CB-CD1 4.12Å; P268-I342 HydrophobicContact CB-CG1 3.79Å; P268-L347 HydrophobicContact CB-CB 3.73Å; P268-L347 HydrophobicContact CB-CD1 4.04Å; P268-L347 HydrophobicContact CG-CB 3.62Å; P268-L347 WeakPolarHBondContact CG-O 3.45Å; P268-L348 HydrophobicContact CB-CD2 4.3Å; P268-L348 HydrophobicContact CG-CD2 4.1Å; P268-Y352 VanDerWaalsContact CG-OH 3.23Å; P268-Y352 WeakPolarHBondContact CG-OH 3.14Å
269S92Very high97.5Very high3 Ų39.4 Ų9.42%0.0217%0.072CC..THydrogen-bonded Turntrans-67.8-17.817169.70000113R39 G118 D267 V271R39-S269 WeakPolarHBondContact CD-OG 3.44Å; G118-S269 PolarHBondContact N-O 3.04Å; D267-S269 PolarHBondContact O-N 2.9Å; D267-S269 WeakPolarHBondContact OD1-CB 3.11Å; D267-S269 PolarHBondContact OD1-N 3.2Å; D267-S269 PolarHBondContact OD1-OG 3.33Å; D267-S269 PolarHBondContact OD2-OG 3.02Å; S269-V271 PolarHBondContact O-N 2.71Å
270K94.5Very high97.6Very high24 Ų248.2 Ų8.210%0.1046%0.059CC..SBendtrans-84.3105.8176.2-78.162.4177.7175.80108.7K266 D267 P268 D272 R273 S274K266-K270 HydrophobicContact CB-CB 3.95Å; K266-K270 HydrophobicContact CB-CG 4.12Å; K266-K270 HydrophobicContact CD-CB 4.16Å; K266-K270 HydrophobicContact CD-CG 4.31Å; K266-K270 HydrophobicContact CG-CB 4.48Å; K266-K270 HydrophobicContact CG-CG 4.39Å; D267-K270 WeakPolarHBondContact O-CB 3.35Å; D267-K270 PolarHBondContact O-N 3.48Å; D267-K270 WeakPolarHBondContact OD2-CD 3.34Å; D267-K270 WeakPolarHBondContact OD2-CE 3.33Å; D267-K270 IonicContact OD2-NZ 3.07Å; D267-K270 PolarHBondContact OD2-NZ 3.41Å; P268-K270 PolarHBondContact O-N 2.84Å; K270-D272 PolarHBondContact O-N 2.87Å; K270-D272 VanDerWaalsContact O-N 3.09Å; K270-R273 PolarHBondContact O-N 2.82Å; K270-S274 PolarHBondContact O-N 3.32Å; K270-S274 PolarHBondContact O-OG 3.37Å
271V95.8Very high97.6Very high1 Ų16 Ų61%0.0064%0.036CC..Hα-helixtrans-59-22.9-177.4-68.50000113.4A117 M123 S269 R273 A275 Y301 P338A117-V271 HydrophobicContact CB-CG1 3.76Å; A117-V271 HydrophobicContact CB-CG2 4.07Å; M123-V271 HydrophobicContact CE-CB 4.34Å; M123-V271 HydrophobicContact CE-CG2 3.82Å; M123-V271 HydrophobicContact SD-CG2 4.5Å; S269-V271 PolarHBondContact O-N 2.71Å; V271-R273 PolarHBondContact O-N 2.83Å; V271-A275 HydrophobicContact CB-CB 4.11Å; V271-A275 WeakPolarHBondContact O-CA 3.45Å; V271-A275 WeakPolarHBondContact O-CB 3.38Å; V271-A275 PolarHBondContact O-N 3.43Å; V271-Y301 HydrophobicContact CB-CD2 4.04Å; V271-Y301 HydrophobicContact CB-CE2 4.34Å; V271-Y301 HydrophobicContact CB-CG 4.39Å; V271-Y301 HydrophobicContact CG1-CD1 4.35Å; V271-Y301 HydrophobicContact CG1-CD2 4.26Å; V271-Y301 HydrophobicContact CG1-CE2 4.46Å; V271-Y301 HydrophobicContact CG1-CG 4.21Å; V271-Y301 HydrophobicContact CG2-CD2 4.17Å; V271-Y301 HydrophobicContact CG2-CG 4.33Å; V271-P338 HydrophobicContact CG1-CG 4.03Å
272D97.7Very high97.7Very high25 Ų255.5 Ų5.513%0.1343%0.03CC..Hα-helixtrans-48.8-42.2169.6-75.8-23.1000112.8M123 F263 K266 K270 A276M123-D272 WeakPolarHBondContact CE-OD1 3.47Å; F263-D272 VanDerWaalsContact CE1-O 3.31Å; F263-D272 WeakPolarHBondContact CE1-O 3.31Å; K266-D272 HydrophobicContact CD-CB 4.37Å; K266-D272 IonicContact NZ-OD2 2.64Å; K266-D272 PolarHBondContact NZ-OD2 3.15Å; K270-D272 PolarHBondContact O-N 2.87Å; K270-D272 VanDerWaalsContact O-N 3.09Å; D272-A276 WeakPolarHBondContact O-CB 2.9Å
273R98.4Very high97.7Very high1 Ų14.8 Ų4.80%0.0042%0.024CC..Hα-helixtrans-89.3-60.3179.1171.5172.5-84.8-175.1-16111.1D25 F263 K266 K270 V271 A275 A276 Y277D25-R273 IonicContact OD1-CZ 3.84Å; D25-R273 VanDerWaalsContact OD1-CZ 3.31Å; D25-R273 IonicContact OD1-NH1 2.76Å; D25-R273 PolarHBondContact OD1-NH1 3.06Å; D25-R273 IonicContact OD1-NH2 3.89Å; D25-R273 PolarHBondContact OD1-NH2 3.03Å; D25-R273 IonicContact OD2-CZ 2.62Å; D25-R273 IonicContact OD2-NH2 2.77Å; D25-R273 PolarHBondContact OD2-NH2 2.94Å; F263-R273 VanDerWaalsContact C-CZ 3.49Å; F263-R273 HydrophobicContact CD1-CB 4.49Å; F263-R273 PolarHBondContact O-NE 3.07Å; F263-R273 PolarHBondContact O-NH2 2.99Å; K266-R273 WeakPolarHBondContact O-CD 3.41Å; K266-R273 PolarHBondContact O-NH1 3.45Å; K270-R273 PolarHBondContact O-N 2.82Å; V271-R273 PolarHBondContact O-N 2.83Å; R273-A275 PolarHBondContact O-N 2.74Å; R273-A276 PolarHBondContact O-N 3.32Å; R273-Y277 HydrophobicContact CG-CD2 4.14Å; R273-Y277 HydrophobicContact CG-CE1 4.13Å; R273-Y277 HydrophobicContact CG-CE2 3.64Å; R273-Y277 PolarHBondContact NE-OH 3.04Å; R273-Y277 VanDerWaalsContact O-CD1 3.29Å; R273-Y277 WeakPolarHBondContact O-CD1 3.3Å; R273-Y277 VanDerWaalsContact O-CG 3.26Å; R273-Y277 PolarHBondContact O-N 3.45Å
274S97.9Very high97.7Very high0 Ų04.6 Ų4.60%02%0.023CC..Hα-helixtrans-65.4-38.3-170.350.90000112.7P268 K270 Y277 A278P268-S274 VanDerWaalsContact O-CB 3.24Å; P268-S274 WeakPolarHBondContact O-CB 3.34Å; P268-S274 PolarHBondContact O-OG 3.49Å; K270-S274 PolarHBondContact O-N 3.32Å; K270-S274 PolarHBondContact O-OG 3.37Å; S274-Y277 PolarHBondContact O-N 3.27Å; S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 3.35Å
275A98.3Very high97.7Very high0 Ų04.6 Ų4.60%02%0.023CC..Hα-helixtrans-78.4-30.7179.600000112.5M123 V271 R273 A278 A279 V299 Y301 L341M123-A275 HydrophobicContact CB-CB 4.42Å; M123-A275 HydrophobicContact CG-CB 4.08Å; M123-A275 HydrophobicContact SD-CB 4.05Å; V271-A275 HydrophobicContact CB-CB 4.11Å; V271-A275 WeakPolarHBondContact O-CA 3.45Å; V271-A275 WeakPolarHBondContact O-CB 3.38Å; V271-A275 PolarHBondContact O-N 3.43Å; R273-A275 PolarHBondContact O-N 2.74Å; A275-A278 PolarHBondContact O-N 2.86Å; A275-A279 VanDerWaalsContact O-CB 3.24Å; A275-A279 WeakPolarHBondContact O-CB 3.3Å; A275-A279 PolarHBondContact O-N 3.17Å; A275-V299 HydrophobicContact CB-CG2 4.06Å; A275-Y301 HydrophobicContact CB-CD2 4.38Å; A275-Y301 HydrophobicContact CB-CE2 3.46Å; A275-Y301 VanDerWaalsContact CB-CE2 3.46Å; A275-L341 HydrophobicContact CB-CD1 3.77Å
276A98.7Very high97.7Very high5 Ų54.7 Ų4.74%0.0412%0.024CC..Hα-helixtrans-64-42.617000000111.5M123 F263 D272 R273 A279 R280M123-A276 HydrophobicContact CB-CB 4.26Å; M123-A276 HydrophobicContact CG-CB 4.44Å; F263-A276 HydrophobicContact CE1-CB 3.66Å; F263-A276 HydrophobicContact CZ-CB 4Å; D272-A276 WeakPolarHBondContact O-CB 2.9Å; R273-A276 PolarHBondContact O-N 3.32Å; A276-A279 PolarHBondContact O-N 3.28Å; A276-R280 PolarHBondContact O-N 3.23Å
277Y98.8Very high97.7Very high0 Ų04.1 Ų4.10%02%0.022CC..Hα-helixtrans-63.4-44.5175.4-68.12.7000111.6F263 R273 S274 R280 Y281 L347 Y352 H360 F361 W368F263-Y277 HydrophobicContact CD2-CE1 4.46Å; F263-Y277 HydrophobicContact CG-CE1 4.45Å; R273-Y277 HydrophobicContact CG-CD2 4.14Å; R273-Y277 HydrophobicContact CG-CE1 4.13Å; R273-Y277 HydrophobicContact CG-CE2 3.64Å; R273-Y277 PolarHBondContact NE-OH 3.04Å; R273-Y277 VanDerWaalsContact O-CD1 3.29Å; R273-Y277 WeakPolarHBondContact O-CD1 3.3Å; R273-Y277 VanDerWaalsContact O-CG 3.26Å; R273-Y277 PolarHBondContact O-N 3.45Å; S274-Y277 PolarHBondContact O-N 3.27Å; Y277-R280 WeakPolarHBondContact O-CB 3.49Å; Y277-R280 PolarHBondContact O-N 3.24Å; Y277-Y281 WeakPolarHBondContact O-CB 3.32Å; Y277-Y281 PolarHBondContact O-N 2.63Å; Y277-L347 HydrophobicContact CD2-CD2 4.42Å; Y277-Y352 HydrophobicContact CE2-CD1 4.48Å; Y277-Y352 HydrophobicContact CE2-CE1 4.07Å; Y277-H360 HydrophobicContact CE1-CB 4.13Å; Y277-H360 AromaticContact CE1-ND1 3.61Å; Y277-H360 AromaticContact CZ-ND1 3.56Å; Y277-H360 PolarHBondContact OH-CE1 3.29Å; Y277-H360 PolarHBondContact OH-ND1 2.85Å; Y277-F361 AromaticContact CD1-CE1 3.65Å; Y277-F361 HydrophobicContact CD1-CE1 3.65Å; Y277-F361 HydrophobicContact CD1-CZ 4.12Å; Y277-F361 HydrophobicContact CE1-CE1 4.13Å; Y277-W368 HydrophobicContact CD1-CD2 4.46Å; Y277-W368 AromaticContact CD2-CD2 3.66Å; Y277-W368 HydrophobicContact CD2-CD2 3.66Å; Y277-W368 AromaticContact CD2-CE3 3.29Å; Y277-W368 HydrophobicContact CD2-CE3 3.29Å; Y277-W368 AromaticContact CD2-CH2 3.75Å; Y277-W368 HydrophobicContact CD2-CH2 3.75Å; Y277-W368 HydrophobicContact CD2-CZ2 4.06Å; Y277-W368 AromaticContact CD2-CZ3 3.34Å; Y277-W368 HydrophobicContact CD2-CZ3 3.34Å; Y277-W368 HydrophobicContact CE1-CZ2 4.38Å; Y277-W368 HydrophobicContact CE2-CD2 4.2Å; Y277-W368 AromaticContact CE2-CE3 3.8Å; Y277-W368 HydrophobicContact CE2-CE3 3.8Å; Y277-W368 AromaticContact CE2-CH2 3.3Å; Y277-W368 HydrophobicContact CE2-CH2 3.3Å; Y277-W368 AromaticContact CE2-CZ2 3.73Å; Y277-W368 HydrophobicContact CE2-CZ2 3.73Å; Y277-W368 AromaticContact CE2-CZ3 3.34Å; Y277-W368 HydrophobicContact CE2-CZ3 3.34Å; Y277-W368 AromaticContact CG-CD2 3.79Å; Y277-W368 HydrophobicContact CG-CD2 3.79Å; Y277-W368 AromaticContact CG-CE3 3.89Å; Y277-W368 HydrophobicContact CG-CE3 3.89Å; Y277-W368 HydrophobicContact CG-CG 4.22Å; Y277-W368 HydrophobicContact CG-CZ3 4.3Å; Y277-W368 AromaticContact CZ-CH2 3.87Å; Y277-W368 AromaticContact CZ-CZ2 3.9Å; Y277-W368 WeakPolarHBondContact O-CB 3.49Å
278A98.6Very high97.8Very high0 Ų06 Ų60%04%0.038CC..Hα-helixtrans-65.7-38.4175.800000112.6S274 A275 R280 Y281 V282 L336 L341 M344 L345S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 3.35Å; A275-A278 PolarHBondContact O-N 2.86Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.6Å; A278-Y281 WeakPolarHBondContact O-CB 3.32Å; A278-Y281 PolarHBondContact O-N 2.95Å; A278-V282 VanDerWaalsContact O-CG2 3.26Å; A278-V282 WeakPolarHBondContact O-CG2 3.02Å; A278-V282 PolarHBondContact O-N 2.82Å; A278-L336 HydrophobicContact CB-CD2 4.15Å; A278-L341 HydrophobicContact CB-CD2 3.52Å; A278-M344 HydrophobicContact CB-CE 3.99Å; A278-L345 HydrophobicContact CB-CD1 4.09Å
279A98.7Very high97.9Very high1 Ų16 Ų61%0.0084%0.039CC..Hα-helixtrans-63.1-40.6175.300000111.2G125 A275 A276 A283 I297G125-A279 VanDerWaalsContact CA-CB 3.47Å; G125-A279 WeakPolarHBondContact CA-O 3.34Å; A275-A279 VanDerWaalsContact O-CB 3.24Å; A275-A279 WeakPolarHBondContact O-CB 3.3Å; A275-A279 PolarHBondContact O-N 3.17Å; A276-A279 PolarHBondContact O-N 3.28Å; A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 2.98Å; A279-I297 HydrophobicContact CB-CB 4.36Å; A279-I297 HydrophobicContact CB-CG2 4.22Å
280R98.8Very high98.1Very high0 Ų06.9 Ų6.90%05%0.048CC..Hα-helixtrans-58-50.2169.7168.860.9177.7171.23.7111.1Y126 V133 L134 M135 A276 Y277 A278 V282 A283 K284 F361 E369Y126-R280 WeakPolarHBondContact O-CD 3.4Å; Y126-R280 PolarHBondContact O-NH1 2.99Å; V133-R280 PolarHBondContact O-NH2 2.83Å; L134-R280 PolarHBondContact O-NH1 3.45Å; M135-R280 PolarHBondContact SD-NH1 3.44Å; A276-R280 PolarHBondContact O-N 3.23Å; Y277-R280 WeakPolarHBondContact O-CB 3.49Å; Y277-R280 PolarHBondContact O-N 3.24Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.6Å; R280-V282 VanDerWaalsContact C-N 3.34Å; R280-V282 PolarHBondContact O-N 3.45Å; R280-A283 PolarHBondContact O-N 3.39Å; R280-K284 VanDerWaalsContact O-CB 3.26Å; R280-K284 WeakPolarHBondContact O-CB 3.5Å; R280-K284 PolarHBondContact O-N 2.8Å; R280-F361 HydrophobicContact CB-CD1 3.89Å; R280-F361 HydrophobicContact CB-CE1 3.78Å; R280-F361 HydrophobicContact CB-CG 4.37Å; R280-F361 HydrophobicContact CB-CZ 4.15Å; R280-F361 HydrophobicContact CG-CB 4.3Å; R280-F361 HydrophobicContact CG-CD1 3.57Å; R280-F361 HydrophobicContact CG-CE1 4.01Å; R280-F361 HydrophobicContact CG-CG 3.92Å; R280-E369 IonicContact CZ-OE1 2.82Å; R280-E369 IonicContact CZ-OE2 3.72Å; R280-E369 IonicContact NE-OE1 3.85Å; R280-E369 PolarHBondContact NE-OE1 3.37Å; R280-E369 IonicContact NE-OE2 2.89Å; R280-E369 IonicContact NH2-OE1 3.87Å; R280-E369 PolarHBondContact NH2-OE1 2.82Å; R280-E369 IonicContact NH2-OE2 3.67Å; R280-E369 PolarHBondContact NH2-OE2 2.95Å
281Y98.8Very high98.3Very high5 Ų55.8 Ų5.82%0.024%0.043CC..Hα-helixtrans-57-45.6179.9177.2-113.5000112.1Y277 A278 N285 F334 M344 L345 W368 K370 D372 K373Y277-Y281 WeakPolarHBondContact O-CB 3.32Å; Y277-Y281 PolarHBondContact O-N 2.63Å; A278-Y281 WeakPolarHBondContact O-CB 3.32Å; A278-Y281 PolarHBondContact O-N 2.95Å; Y281-N285 VanDerWaalsContact CD2-ND2 3.34Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.47Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.25Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.38Å; Y281-N285 WeakPolarHBondContact O-CB 3.42Å; Y281-N285 PolarHBondContact O-N 3.47Å; Y281-N285 PolarHBondContact O-ND2 3.42Å; Y281-F334 AromaticContact CD1-CD1 3.92Å; Y281-F334 HydrophobicContact CD1-CD1 3.92Å; Y281-F334 AromaticContact CD1-CE1 3.71Å; Y281-F334 HydrophobicContact CD1-CE1 3.71Å; Y281-F334 AromaticContact CE1-CD1 3.79Å; Y281-F334 HydrophobicContact CE1-CD1 3.79Å; Y281-F334 AromaticContact CE1-CE1 3.51Å; Y281-F334 HydrophobicContact CE1-CE1 3.51Å; Y281-M344 HydrophobicContact CD1-CE 3.98Å; Y281-M344 HydrophobicContact CD1-SD 4.09Å; Y281-M344 HydrophobicContact CE1-CE 4.27Å; Y281-M344 HydrophobicContact CE1-CG 4.09Å; Y281-M344 HydrophobicContact CE1-SD 3.77Å; Y281-L345 HydrophobicContact CD1-CD2 4.01Å; Y281-L345 HydrophobicContact CD2-CD2 4.18Å; Y281-L345 HydrophobicContact CE1-CD2 4.38Å; Y281-L345 HydrophobicContact CG-CD2 3.89Å; Y281-W368 WeakPolarHBondContact CA-O 3.44Å; Y281-W368 WeakPolarHBondContact CB-O 3.38Å; Y281-K370 VanDerWaalsContact CD2-O 3.3Å; Y281-K370 WeakPolarHBondContact CD2-O 3.49Å; Y281-K370 HydrophobicContact CE2-CB 4.13Å; Y281-K370 WeakPolarHBondContact CE2-O 3.2Å; Y281-D372 VanDerWaalsContact CE2-OD1 3.3Å; Y281-D372 WeakPolarHBondContact CE2-OD1 3.37Å; Y281-D372 VanDerWaalsContact OH-CG 3.23Å; Y281-D372 PolarHBondContact OH-OD1 2.84Å; Y281-D372 PolarHBondContact OH-OD2 3.38Å; Y281-K373 HydrophobicContact CE1-CG 4.19Å; Y281-K373 VanDerWaalsContact OH-CG 3.23Å; Y281-K373 WeakPolarHBondContact OH-CG 3.48Å
282V98.6Very high98.4Very high0 Ų05.8 Ų5.80%04%0.043CC..Hα-helixtrans-61.1-53.9175.61740000110.9A278 R280 K284 N285 I286 I297 V330 F334 L336A278-V282 VanDerWaalsContact O-CG2 3.26Å; A278-V282 WeakPolarHBondContact O-CG2 3.02Å; A278-V282 PolarHBondContact O-N 2.82Å; R280-V282 VanDerWaalsContact C-N 3.34Å; R280-V282 PolarHBondContact O-N 3.45Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 2.78Å; V282-N285 PolarHBondContact O-N 3.39Å; V282-I286 HydrophobicContact CG1-CD1 3.88Å; V282-I286 WeakPolarHBondContact O-CG1 3.47Å; V282-I286 PolarHBondContact O-N 2.7Å; V282-I297 HydrophobicContact CB-CG1 4.35Å; V282-I297 HydrophobicContact CG1-CD1 3.86Å; V282-I297 HydrophobicContact CG1-CG1 3.9Å; V282-V330 HydrophobicContact CG1-CB 4.46Å; V282-V330 HydrophobicContact CG1-CG1 4.04Å; V282-V330 HydrophobicContact CG1-CG2 3.6Å; V282-F334 HydrophobicContact CB-CZ 4.5Å; V282-F334 HydrophobicContact CG1-CD2 4.43Å; V282-F334 HydrophobicContact CG1-CE2 4.23Å; V282-F334 HydrophobicContact CG2-CB 4.09Å; V282-F334 HydrophobicContact CG2-CD1 3.59Å; V282-F334 HydrophobicContact CG2-CD2 4Å; V282-F334 HydrophobicContact CG2-CE1 3.89Å; V282-F334 HydrophobicContact CG2-CE2 4.26Å; V282-F334 HydrophobicContact CG2-CG 3.64Å; V282-F334 HydrophobicContact CG2-CZ 4.2Å; V282-L336 HydrophobicContact CG2-CD2 4.3Å
283A98.8Very high98.4Very high0 Ų07.3 Ų7.30%05%0.051CC..Hα-helixtrans-59.2-44.1-178.900000111.7A127 A279 R280 N285 I286 V287 C295 I297A127-A283 HydrophobicContact CB-CB 4.06Å; A127-A283 WeakPolarHBondContact CB-O 3.42Å; A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 2.98Å; R280-A283 PolarHBondContact O-N 3.39Å; A283-N285 PolarHBondContact O-N 3Å; A283-I286 PolarHBondContact O-N 3.34Å; A283-V287 PolarHBondContact O-N 2.83Å; A283-V287 VanDerWaalsContact O-N 3.07Å; A283-C295 HydrophobicContact CB-CB 4.45Å; A283-I297 HydrophobicContact CB-CG1 3.94Å
284K98.8Very high98.4Very high2 Ų29.6 Ų9.61%0.0096%0.06CC..Hα-helixtrans-61.8-44.2178.2-165.7-178.2-174.2-179.40111.2A127 L134 R280 V282 V287 A288 E364 E369 T371A127-K284 HydrophobicContact CB-CB 4.3Å; L134-K284 HydrophobicContact CB-CG 4.13Å; L134-K284 HydrophobicContact CD1-CG 3.7Å; L134-K284 HydrophobicContact CG-CG 4.47Å; R280-K284 VanDerWaalsContact O-CB 3.26Å; R280-K284 WeakPolarHBondContact O-CB 3.5Å; R280-K284 PolarHBondContact O-N 2.8Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 2.78Å; K284-V287 PolarHBondContact O-N 3.36Å; K284-A288 WeakPolarHBondContact O-CB 3.3Å; K284-A288 PolarHBondContact O-N 2.95Å; K284-E364 VanDerWaalsContact NZ-CD 3.3Å; K284-E364 IonicContact NZ-OE1 4Å; K284-E364 PolarHBondContact NZ-OE1 3.06Å; K284-E364 IonicContact NZ-OE2 3.81Å; K284-E364 PolarHBondContact NZ-OE2 2.9Å; K284-E364 VanDerWaalsContact NZ-OE2 3.15Å; K284-E369 WeakPolarHBondContact CD-O 3.36Å; K284-E369 WeakPolarHBondContact CD-OE2 3.27Å; K284-E369 VanDerWaalsContact CE-O 3.32Å; K284-E369 WeakPolarHBondContact CE-O 3.44Å; K284-E369 WeakPolarHBondContact CE-OE2 3.5Å; K284-E369 PolarHBondContact NZ-O 2.75Å; K284-E369 IonicContact NZ-OE2 3.98Å; K284-E369 PolarHBondContact NZ-OE2 2.82Å; K284-T371 HydrophobicContact CD-CG2 4.07Å; K284-T371 HydrophobicContact CG-CG2 4.01Å
285N98.8Very high98.4Very high0 Ų09.6 Ų9.60%06%0.06CC..Hα-helixtrans-66.4-36.5177.2-84.8-85.1000113Y281 V282 A283 A289 F334 K370 T371 D372 K373 A374 L377Y281-N285 VanDerWaalsContact CD2-ND2 3.34Å; Y281-N285 WeakPolarHBondContact CD2-ND2 3.47Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.25Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.38Å; Y281-N285 WeakPolarHBondContact O-CB 3.42Å; Y281-N285 PolarHBondContact O-N 3.47Å; Y281-N285 PolarHBondContact O-ND2 3.42Å; V282-N285 PolarHBondContact O-N 3.39Å; A283-N285 PolarHBondContact O-N 3Å; N285-A289 WeakPolarHBondContact O-CB 3.47Å; N285-A289 PolarHBondContact O-N 3.45Å; N285-F334 HydrophobicContact CB-CZ 4.12Å; N285-K370 PolarHBondContact ND2-O 3.04Å; N285-T371 WeakPolarHBondContact OD1-CA 3.49Å; N285-T371 PolarHBondContact OD1-O 3.39Å; N285-D372 PolarHBondContact OD1-N 2.82Å; N285-K373 HydrophobicContact CB-CB 4.19Å; N285-K373 WeakPolarHBondContact OD1-CA 3.43Å; N285-K373 WeakPolarHBondContact OD1-CB 3.48Å; N285-K373 PolarHBondContact OD1-N 2.92Å; N285-A374 PolarHBondContact OD1-N 3.15Å; N285-L377 HydrophobicContact CB-CD1 3.9Å
286I98.5Very high98.4Very high3 Ų39.8 Ų9.82%0.0156%0.061CC..Hα-helixtrans-62.1-46.7174.4-71.7170000111.1V282 A283 L291 A292 C295 I297 V313 L326 V330 L377V282-I286 HydrophobicContact CG1-CD1 3.88Å; V282-I286 WeakPolarHBondContact O-CG1 3.47Å; V282-I286 PolarHBondContact O-N 2.7Å; A283-I286 PolarHBondContact O-N 3.34Å; I286-L291 HydrophobicContact CG2-CB 4.03Å; I286-L291 PolarHBondContact O-N 3.28Å; I286-L291 VanDerWaalsContact O-N 3.13Å; I286-A292 HydrophobicContact CG2-CB 4.38Å; I286-C295 HydrophobicContact CB-CB 4.47Å; I286-C295 HydrophobicContact CG2-CB 4.02Å; I286-I297 HydrophobicContact CD1-CD1 3.98Å; I286-V313 HydrophobicContact CD1-CG1 4.42Å; I286-L326 HydrophobicContact CG2-CD2 4.37Å; I286-V330 HydrophobicContact CD1-CG2 3.86Å; I286-L377 HydrophobicContact CG1-CD1 4.32Å
287V98.6Very high98.4Very high11 Ų119.6 Ų9.67%0.0676%0.059CC..Hα-helixtrans-69.5-43.7178.7176.10000111.1A127 N129 L134 A283 K284 A289 G290 C295A127-V287 HydrophobicContact CB-CB 4.11Å; A127-V287 HydrophobicContact CB-CG2 3.75Å; N129-V287 HydrophobicContact CB-CG1 4.26Å; L134-V287 HydrophobicContact CD1-CG1 4.39Å; L134-V287 HydrophobicContact CD2-CG1 4.03Å; A283-V287 PolarHBondContact O-N 2.83Å; A283-V287 VanDerWaalsContact O-N 3.07Å; K284-V287 PolarHBondContact O-N 3.36Å; V287-A289 VanDerWaalsContact C-N 3.29Å; V287-A289 PolarHBondContact O-N 2.9Å; V287-G290 WeakPolarHBondContact O-CA 3.42Å; V287-G290 PolarHBondContact O-N 2.82Å; V287-C295 HydrophobicContact CG2-CB 3.93Å
288A98.5Very high98.4Very high43 Ų4311.8 Ų11.836%0.3557%0.069SC..Hα-helixtrans-62.3-34.3176.900000113.1L134 K284 G290 T371 A374L134-A288 HydrophobicContact CD1-CB 3.81Å; K284-A288 WeakPolarHBondContact O-CB 3.3Å; K284-A288 PolarHBondContact O-N 2.95Å; A288-G290 PolarHBondContact O-N 3.01Å; A288-T371 HydrophobicContact CB-CG2 3.63Å; A288-A374 HydrophobicContact CB-CB 3.91Å
289A98.2Very high98.3Very high3 Ų311.9 Ų11.93%0.0257%0.07CC..THydrogen-bonded Turntrans-68-12.9173.300000113.1N285 V287 L291 A374 L377 R378N285-A289 WeakPolarHBondContact O-CB 3.47Å; N285-A289 PolarHBondContact O-N 3.45Å; V287-A289 VanDerWaalsContact C-N 3.29Å; V287-A289 PolarHBondContact O-N 2.9Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD1 4.41Å; A289-L291 HydrophobicContact CB-CD2 4.32Å; A289-L291 HydrophobicContact CB-CG 3.79Å; A289-A374 HydrophobicContact CB-CB 4.12Å; A289-A374 WeakPolarHBondContact CB-O 3.19Å; A289-L377 HydrophobicContact CB-CB 4.11Å; A289-R378 HydrophobicContact CB-CB 4.3Å
290G97.5Very high98.3Very high21 Ų2112.7 Ų12.722%0.2168%0.076CC..THydrogen-bonded Turntrans76.115.7-175.100000113.5V287 A288 A292 K320V287-G290 WeakPolarHBondContact O-CA 3.42Å; V287-G290 PolarHBondContact O-N 2.82Å; A288-G290 PolarHBondContact O-N 3.01Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.35Å; G290-K320 VanDerWaalsContact O-CD 3.31Å; G290-K320 WeakPolarHBondContact O-CD 3.4Å
291L98Very high98.2Very high1 Ų113 Ų131%0.0058%0.077CC..SBendtrans-72.1-24.6179.5-55-172000112.6I286 A289 E319 K320 L326 L329 L377 A381 L383I286-L291 HydrophobicContact CG2-CB 4.03Å; I286-L291 PolarHBondContact O-N 3.28Å; I286-L291 VanDerWaalsContact O-N 3.13Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD1 4.41Å; A289-L291 HydrophobicContact CB-CD2 4.32Å; A289-L291 HydrophobicContact CB-CG 3.79Å; L291-E319 CarbonylContact O-C 3.39Å; L291-E319 WeakPolarHBondContact O-CA 3.04Å; L291-K320 PolarHBondContact O-N 3.19Å; L291-L326 HydrophobicContact CB-CD2 3.9Å; L291-L326 HydrophobicContact CD1-CD2 3.8Å; L291-L326 HydrophobicContact CG-CD2 4.49Å; L291-L329 HydrophobicContact CD1-CD1 4.06Å; L291-L377 HydrophobicContact CD1-CB 4.15Å; L291-A381 HydrophobicContact CD1-CB 4.42Å; L291-A381 HydrophobicContact CD2-CB 3.47Å; L291-A381 VanDerWaalsContact CD2-CB 3.47Å; L291-L383 HydrophobicContact CD2-CD1 3.35Å
292A97.8Very high97.8Very high1 Ų114.5 Ų14.51%0.0089%0.09CC..BIsolated β-bridgetrans-152.7159.2173.700000110.1I286 G290 T315 T318I286-A292 HydrophobicContact CG2-CB 4.38Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.35Å; A292-T315 HydrophobicContact CB-CG2 3.56Å; A292-T318 WeakPolarHBondContact CA-O 3.41Å
293D97.2Very high97.2Very high57 Ų5719 Ų1931%0.30511%0.113SC..SBendtrans-81.5-26.4174.3-65.5-19.9000111.8T128 N129 T318 K320T128-D293 WeakPolarHBondContact CA-O 3.29Å; N129-D293 PolarHBondContact N-O 3.44Å; N129-D293 WeakPolarHBondContact ND2-CB 3.4Å; N129-D293 PolarHBondContact ND2-OD1 3.23Å; D293-T318 HydrophobicContact CB-CG2 4.23Å; D293-T318 PolarHBondContact N-O 2.83Å; D293-T318 PolarHBondContact N-OG1 3.38Å; D293-K320 VanDerWaalsContact OD1-CE 3.26Å; D293-K320 WeakPolarHBondContact OD1-CE 3.44Å; D293-K320 IonicContact OD1-NZ 3.07Å; D293-K320 PolarHBondContact OD1-NZ 3.38Å
294R97.9Very high96.5Very high49 Ų4919.5 Ų19.519%0.18512%0.118CC..EExtended strand (participates in β ladder)trans-148.2151170.360-176.3-177.7167.66.8111.2A127 T315 F316 T318A127-R294 CarbonylContact O-C 3.52Å; A127-R294 VanDerWaalsContact O-CA 3.23Å; A127-R294 WeakPolarHBondContact O-CA 3.45Å; A127-R294 WeakPolarHBondContact O-CB 3.46Å; R294-T315 WeakPolarHBondContact O-CA 3.45Å; R294-F316 HydrophobicContact CG-CD2 4.07Å; R294-T318 HydrophobicContact CG-CG2 4.05Å; R294-T318 PolarHBondContact N-OG1 2.79Å; R294-T318 VanDerWaalsContact N-OG1 3.16Å; R294-T318 PolarHBondContact O-OG1 3.37Å
295C98.6Very high96Very high0 Ų022.5 Ų22.50%014%0.137CC..EExtended strand (participates in β ladder)trans-146.6131.6-176.2-178.20000110.7Y126 A127 A283 I286 V287 E314Y126-C295 CarbonylContact C-O 3.5Å; Y126-C295 VanDerWaalsContact CA-O 3.31Å; Y126-C295 WeakPolarHBondContact CA-O 3.26Å; Y126-C295 VanDerWaalsContact CD2-O 3.31Å; Y126-C295 WeakPolarHBondContact CD2-O 3.49Å; A127-C295 PolarHBondContact N-O 2.92Å; A127-C295 PolarHBondContact O-N 3.35Å; A283-C295 HydrophobicContact CB-CB 4.45Å; I286-C295 HydrophobicContact CB-CB 4.47Å; I286-C295 HydrophobicContact CG2-CB 4.02Å; V287-C295 HydrophobicContact CG2-CB 3.93Å; C295-E314 CarbonylContact C-O 3.54Å; C295-E314 WeakPolarHBondContact CA-O 3.31Å
296E98.7Very high95.7Very high4 Ų422.9 Ų22.92%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-111.2132.5166-169.9175.781.700109.3F124 G125 Y126 A256 R257 E314 F316F124-E296 HydrophobicContact CD1-CG 4.05Å; G125-E296 CarbonylContact O-C 3.52Å; G125-E296 VanDerWaalsContact O-CA 3.27Å; G125-E296 WeakPolarHBondContact O-CA 3.5Å; Y126-E296 HydrophobicContact CD2-CB 3.86Å; Y126-E296 HydrophobicContact CD2-CG 4.3Å; Y126-E296 HydrophobicContact CE2-CB 4.38Å; A256-E296 WeakPolarHBondContact CA-OE2 3.42Å; A256-E296 WeakPolarHBondContact CB-OE2 3.48Å; R257-E296 WeakPolarHBondContact CD-OE1 3.35Å; R257-E296 IonicContact CZ-OE1 3.06Å; R257-E296 PolarHBondContact N-OE2 3.09Å; R257-E296 IonicContact NE-OE1 3.91Å; R257-E296 IonicContact NH1-OE1 3.94Å; R257-E296 PolarHBondContact NH1-OE1 2.99Å; E296-E314 HydrophobicContact CB-CB 4.45Å; E296-E314 PolarHBondContact N-O 2.88Å; E296-E314 PolarHBondContact O-N 3.22Å; E296-F316 HydrophobicContact CB-CE2 3.74Å; E296-F316 HydrophobicContact CB-CZ 3.82Å
297I97.9Very high95.5Very high0 Ų027.8 Ų27.80%016%0.163CC..EExtended strand (participates in β ladder)trans-113.1133.9174.8-58.6-67.9000108F124 G125 A279 V282 A283 I286 V299 M312 V313 V330F124-I297 CarbonylContact C-O 3.53Å; F124-I297 WeakPolarHBondContact CA-O 3.06Å; G125-I297 PolarHBondContact N-O 3.37Å; G125-I297 PolarHBondContact O-N 3.33Å; A279-I297 HydrophobicContact CB-CB 4.36Å; A279-I297 HydrophobicContact CB-CG2 4.22Å; V282-I297 HydrophobicContact CB-CG1 4.35Å; V282-I297 HydrophobicContact CG1-CD1 3.86Å; V282-I297 HydrophobicContact CG1-CG1 3.9Å; A283-I297 HydrophobicContact CB-CG1 3.94Å; I286-I297 HydrophobicContact CD1-CD1 3.98Å; I297-V299 HydrophobicContact CG2-CG1 4.17Å; I297-M312 CarbonylContact C-O 3.58Å; I297-M312 WeakPolarHBondContact CA-O 3.36Å; I297-V313 HydrophobicContact CD1-CB 4.03Å; I297-V313 HydrophobicContact CD1-CG1 3.76Å; I297-V313 HydrophobicContact CD1-CG2 3.61Å; I297-V330 HydrophobicContact CD1-CG2 4.47Å
298Q98.3Very high95.3Very high47 Ų4727.9 Ų27.922%0.2216%0.164CC..EExtended strand (participates in β ladder)trans-113.8134.8164.5-172.1-170.745.500109.5M123 F124 I311 M312M123-Q298 WeakPolarHBondContact O-CA 3.38Å; F124-Q298 HydrophobicContact CD1-CB 3.87Å; F124-Q298 HydrophobicContact CD1-CG 4.09Å; F124-Q298 HydrophobicContact CE1-CB 3.63Å; F124-Q298 HydrophobicContact CE1-CG 3.63Å; F124-Q298 HydrophobicContact CE2-CG 4.42Å; F124-Q298 HydrophobicContact CZ-CB 4.35Å; F124-Q298 HydrophobicContact CZ-CG 3.83Å; Q298-I311 CarbonylContact O-C 3.59Å; Q298-I311 WeakPolarHBondContact O-CA 3.24Å; Q298-M312 HydrophobicContact CB-CB 4.09Å; Q298-M312 HydrophobicContact CB-CE 3.93Å; Q298-M312 PolarHBondContact N-O 2.89Å; Q298-M312 PolarHBondContact O-N 3.44Å
299V97.8Very high95.2Very high1 Ų130.1 Ų30.11%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-126.2151.6167.1-63.80000109.4L122 M123 A275 I297 Y301 S310 I311 L336L122-V299 CarbonylContact C-O 3.6Å; L122-V299 WeakPolarHBondContact CA-O 3.44Å; M123-V299 HydrophobicContact CB-CG2 3.9Å; M123-V299 PolarHBondContact N-O 3.25Å; M123-V299 PolarHBondContact O-N 2.79Å; M123-V299 HydrophobicContact SD-CG2 4.5Å; A275-V299 HydrophobicContact CB-CG2 4.06Å; I297-V299 HydrophobicContact CG2-CG1 4.17Å; V299-Y301 HydrophobicContact CB-CE2 4.18Å; V299-Y301 HydrophobicContact CG2-CE2 3.89Å; V299-S310 WeakPolarHBondContact CA-O 3.1Å; V299-I311 HydrophobicContact CG1-CG1 4.39Å; V299-L336 HydrophobicContact CG1-CD1 4.05Å
300S97.8Very high95.1Very high19 Ų1931.9 Ų31.913%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-142.5150.9173.965.40000112.4G121 P308 T309 S310G121-S300 CarbonylContact O-C 3.07Å; G121-S300 WeakPolarHBondContact O-CA 3.3Å; G121-S300 WeakPolarHBondContact O-CB 3.41Å; S300-P308 CarbonylContact O-C 3.6Å; S300-P308 VanDerWaalsContact O-CA 3.24Å; S300-P308 WeakPolarHBondContact O-CA 3.47Å; S300-T309 PolarHBondContact O-N 3.14Å; S300-T309 PolarHBondContact O-OG1 2.73Å; S300-T309 PolarHBondContact OG-OG1 3.41Å; S300-S310 PolarHBondContact N-O 3.1Å; S300-S310 PolarHBondContact OG-N 2.92Å; S300-S310 PolarHBondContact OG-OG 3.44Å
301Y96.8Very high95Very high7 Ų732 Ų323%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-132.1151-175.2-62.1-94.4000110.9A117 Q120 G121 M123 V271 A275 V299 P308 L336A117-Y301 HydrophobicContact CB-CD1 4.16Å; A117-Y301 HydrophobicContact CB-CG 4.14Å; Q120-Y301 WeakPolarHBondContact CA-O 3.15Å; G121-Y301 PolarHBondContact N-O 3.43Å; G121-Y301 VanDerWaalsContact N-O 3.1Å; G121-Y301 PolarHBondContact O-N 3.33Å; M123-Y301 HydrophobicContact SD-CD2 3.91Å; M123-Y301 HydrophobicContact SD-CE2 4.16Å; V271-Y301 HydrophobicContact CB-CD2 4.04Å; V271-Y301 HydrophobicContact CB-CE2 4.34Å; V271-Y301 HydrophobicContact CB-CG 4.39Å; V271-Y301 HydrophobicContact CG1-CD1 4.35Å; V271-Y301 HydrophobicContact CG1-CD2 4.26Å; V271-Y301 HydrophobicContact CG1-CE2 4.46Å; V271-Y301 HydrophobicContact CG1-CG 4.21Å; V271-Y301 HydrophobicContact CG2-CD2 4.17Å; V271-Y301 HydrophobicContact CG2-CG 4.33Å; A275-Y301 HydrophobicContact CB-CD2 4.38Å; A275-Y301 HydrophobicContact CB-CE2 3.46Å; A275-Y301 VanDerWaalsContact CB-CE2 3.46Å; V299-Y301 HydrophobicContact CB-CE2 4.18Å; V299-Y301 HydrophobicContact CG2-CE2 3.89Å; Y301-P308 HydrophobicContact CE1-CB 4.18Å; Y301-P308 HydrophobicContact CE1-CG 3.77Å; Y301-L336 WeakPolarHBondContact CE1-O 3.2Å; Y301-L336 PolarHBondContact OH-O 2.89Å
302A91.3Very high95Very high36 Ų3634.7 Ų34.730%0.29819%0.194SC..  trans-104.1141.2164.700000108.9G304 V305 T309A302-G304 PolarHBondContact O-N 3.24Å; A302-V305 HydrophobicContact CB-CB 4.27Å; A302-V305 HydrophobicContact CB-CG2 3.94Å; A302-V305 WeakPolarHBondContact O-CB 3.37Å; A302-V305 PolarHBondContact O-N 3.45Å; A302-V305 VanDerWaalsContact O-N 3.09Å; A302-T309 HydrophobicContact CB-CG2 3.89Å
303I85.5Confident95Very high93 Ų9335.9 Ų35.948%0.47720%0.201SC..BIsolated β-bridgetrans-54.2132179.9-169.2169.9000111.2V305I303-V305 PolarHBondContact O-N 2.95Å
304G84.2Confident95Very high11 Ų1136.5 Ų36.511%0.11320%0.202CC..THydrogen-bonded Turntrans74.14.9179.200000116.1G106 R109 A117 A302G106-G304 WeakPolarHBondContact O-CA 3.47Å; R109-G304 PolarHBondContact NH2-O 3.01Å; A117-G304 PolarHBondContact O-N 3.24Å; A302-G304 PolarHBondContact O-N 3.24Å
305V89.1Confident95Very high66 Ų6634.4 Ų34.440%0.419%0.194SC..  trans-105133.3174.4-177.30000109.4A117 A302 I303A117-V305 PolarHBondContact N-O 3.39Å; A302-V305 HydrophobicContact CB-CB 4.27Å; A302-V305 HydrophobicContact CB-CG2 3.94Å; A302-V305 WeakPolarHBondContact O-CB 3.37Å; A302-V305 PolarHBondContact O-N 3.45Å; A302-V305 VanDerWaalsContact O-N 3.09Å; I303-V305 PolarHBondContact O-N 2.95Å
306A92.1Very high94.8Very high8 Ų837.8 Ų37.87%0.06621%0.209CC..SBendtrans-78.7-45.3-179.300000112.3Q115 R337 P338Q115-A306 WeakPolarHBondContact O-CB 3.46Å; A306-R337 HydrophobicContact CB-CG 4.44Å; A306-R337 WeakPolarHBondContact O-CA 3.43Å; A306-P338 WeakPolarHBondContact O-CD 3.34Å
307E93.5Very high94.7Very high106 Ų10640.7 Ų40.750%0.49524%0.24SC..SBendtrans-71.2137.3-179.4-72.9-66.7162.600112.1T309 R337E307-T309 PolarHBondContact O-N 3.3Å; E307-R337 WeakPolarHBondContact OE1-CD 3.43Å
308P95.4Very high94.6Very high13 Ų1342.1 Ų42.18%0.08425%0.249CC..  trans-57.2132.9168.2-20.930.7000111S300 Y301 S310 I311 L336S300-P308 CarbonylContact O-C 3.6Å; S300-P308 VanDerWaalsContact O-CA 3.24Å; S300-P308 WeakPolarHBondContact O-CA 3.47Å; Y301-P308 HydrophobicContact CE1-CB 4.18Å; Y301-P308 HydrophobicContact CE1-CG 3.77Å; P308-S310 VanDerWaalsContact C-N 3.27Å; P308-S310 PolarHBondContact O-N 3Å; P308-I311 HydrophobicContact CB-CG1 4.09Å; P308-I311 HydrophobicContact CG-CD1 4.46Å; P308-I311 HydrophobicContact CG-CG1 4.47Å; P308-L336 HydrophobicContact CG-CB 3.84Å
309T96Very high94.5Very high90 Ų9043 Ų4355%0.55225%0.253SS*.SBendtrans-72.3-22.2174.658.70000112.4S300 A302 E307S300-T309 PolarHBondContact O-N 3.14Å; S300-T309 PolarHBondContact O-OG1 2.73Å; S300-T309 PolarHBondContact OG-OG1 3.41Å; A302-T309 HydrophobicContact CB-CG2 3.89Å; E307-T309 PolarHBondContact O-N 3.3Å
310S95.8Very high94.4Very high39 Ų3948.2 Ų48.227%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-151153.8169.374.90000112.1V299 S300 P308V299-S310 WeakPolarHBondContact CA-O 3.1Å; S300-S310 PolarHBondContact N-O 3.1Å; S300-S310 PolarHBondContact OG-N 2.92Å; S300-S310 PolarHBondContact OG-OG 3.44Å; P308-S310 VanDerWaalsContact C-N 3.27Å; P308-S310 PolarHBondContact O-N 3Å
311I96.5Very high94.3Very high24 Ų2448 Ų4812%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-136.9127.4167.4-55.7173.5000106.5Q298 V299 P308 V330 R331 L336Q298-I311 CarbonylContact O-C 3.59Å; Q298-I311 WeakPolarHBondContact O-CA 3.24Å; V299-I311 HydrophobicContact CG1-CG1 4.39Å; P308-I311 HydrophobicContact CB-CG1 4.09Å; P308-I311 HydrophobicContact CG-CD1 4.46Å; P308-I311 HydrophobicContact CG-CG1 4.47Å; I311-V330 HydrophobicContact CG2-CG1 4.16Å; I311-R331 HydrophobicContact CD1-CG 4.13Å; I311-L336 HydrophobicContact CD1-CD1 3.84Å; I311-L336 HydrophobicContact CG1-CD1 4.38Å
312M96.6Very high94.1Very high58 Ų5851.9 Ų51.929%0.28630%0.3SS..EExtended strand (participates in β ladder)trans-128.4138175.8-177.4-16476.100109.3I297 Q298 E314I297-M312 CarbonylContact C-O 3.58Å; I297-M312 WeakPolarHBondContact CA-O 3.36Å; Q298-M312 HydrophobicContact CB-CB 4.09Å; Q298-M312 HydrophobicContact CB-CE 3.93Å; Q298-M312 PolarHBondContact N-O 2.89Å; Q298-M312 PolarHBondContact O-N 3.44Å; M312-E314 HydrophobicContact CE-CB 4.32Å
313V97.7Very high94.1Very high25 Ų2553 Ų5315%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-119.5124.2173.3-173.40000108.6I286 I297 L326 V330I286-V313 HydrophobicContact CD1-CG1 4.42Å; I297-V313 HydrophobicContact CD1-CB 4.03Å; I297-V313 HydrophobicContact CD1-CG1 3.76Å; I297-V313 HydrophobicContact CD1-CG2 3.61Å; V313-L326 HydrophobicContact CG1-CB 4Å; V313-L326 HydrophobicContact CG1-CD1 4.19Å; V313-V330 HydrophobicContact CG2-CG2 4.07Å
314E97.6Very high94.3Very high71 Ų7156.5 Ų56.533%0.33232%0.319SS..EExtended strand (participates in β ladder)trans-124.2127.6177173.962.2-99.700109.6C295 E296 M312 F316C295-E314 CarbonylContact C-O 3.54Å; C295-E314 WeakPolarHBondContact CA-O 3.31Å; E296-E314 HydrophobicContact CB-CB 4.45Å; E296-E314 PolarHBondContact N-O 2.88Å; E296-E314 PolarHBondContact O-N 3.22Å; M312-E314 HydrophobicContact CE-CB 4.32Å; E314-F316 HydrophobicContact CG-CD1 3.85Å; E314-F316 HydrophobicContact CG-CD2 4.03Å; E314-F316 HydrophobicContact CG-CE1 3.71Å; E314-F316 HydrophobicContact CG-CE2 3.88Å; E314-F316 HydrophobicContact CG-CG 4.01Å; E314-F316 HydrophobicContact CG-CZ 3.72Å; E314-F316 VanDerWaalsContact OE1-CA 3.32Å; E314-F316 WeakPolarHBondContact OE1-CA 3.24Å; E314-F316 PolarHBondContact OE1-N 3.02Å
315T97.8Very high94.8Very high4 Ų458.7 Ų58.73%0.02533%0.326CS..  trans-115.7-0.2-177450000112.7A292 R294 G317 T318 E319 L326A292-T315 HydrophobicContact CB-CG2 3.56Å; R294-T315 WeakPolarHBondContact O-CA 3.45Å; T315-G317 PolarHBondContact O-N 3.13Å; T315-T318 WeakPolarHBondContact O-CB 3.41Å; T315-T318 PolarHBondContact O-N 2.92Å; T315-T318 PolarHBondContact O-OG1 3.47Å; T315-E319 WeakPolarHBondContact CB-OE2 3.33Å; T315-E319 HydrophobicContact CG2-CB 4.2Å; T315-E319 WeakPolarHBondContact OG1-CB 3.38Å; T315-E319 VanDerWaalsContact OG1-CD 3.26Å; T315-E319 PolarHBondContact OG1-OE2 3.37Å; T315-L326 HydrophobicContact CG2-CD1 3.45Å; T315-L326 VanDerWaalsContact CG2-CD1 3.45Å
316F95.6Very high95.2Very high72 Ų7255.7 Ų55.732%0.31631%0.308SS..THydrogen-bonded Turntrans52.638.7176.2-48.6-92000112.7Y126 R294 E296 E314Y126-F316 AromaticContact CE2-CE2 3.92Å; Y126-F316 HydrophobicContact CE2-CE2 3.92Å; Y126-F316 HydrophobicContact CE2-CZ 4.44Å; R294-F316 HydrophobicContact CG-CD2 4.07Å; E296-F316 HydrophobicContact CB-CE2 3.74Å; E296-F316 HydrophobicContact CB-CZ 3.82Å; E314-F316 HydrophobicContact CG-CD1 3.85Å; E314-F316 HydrophobicContact CG-CD2 4.03Å; E314-F316 HydrophobicContact CG-CE1 3.71Å; E314-F316 HydrophobicContact CG-CE2 3.88Å; E314-F316 HydrophobicContact CG-CG 4.01Å; E314-F316 HydrophobicContact CG-CZ 3.72Å; E314-F316 VanDerWaalsContact OE1-CA 3.32Å; E314-F316 WeakPolarHBondContact OE1-CA 3.24Å; E314-F316 PolarHBondContact OE1-N 3.02Å
317G95.2Very high95.3Very high64 Ų6457.1 Ų57.166%0.6632%0.316SS*.THydrogen-bonded Turntrans75.417-179.500000115.1T315 E319T315-G317 PolarHBondContact O-N 3.13Å; G317-E319 VanDerWaalsContact C-OE2 3.22Å; G317-E319 WeakPolarHBondContact CA-OE2 3.45Å; G317-E319 PolarHBondContact N-OE2 2.96Å
318T96.3Very high95.4Very high31 Ų3157.6 Ų57.619%0.1932%0.322CS..  trans-104.33179.570.90000114A292 D293 R294 T315A292-T318 WeakPolarHBondContact CA-O 3.41Å; D293-T318 HydrophobicContact CB-CG2 4.23Å; D293-T318 PolarHBondContact N-O 2.83Å; D293-T318 PolarHBondContact N-OG1 3.38Å; R294-T318 HydrophobicContact CG-CG2 4.05Å; R294-T318 PolarHBondContact N-OG1 2.79Å; R294-T318 VanDerWaalsContact N-OG1 3.16Å; R294-T318 PolarHBondContact O-OG1 3.37Å; T315-T318 WeakPolarHBondContact O-CB 3.41Å; T315-T318 PolarHBondContact O-N 2.92Å; T315-T318 PolarHBondContact O-OG1 3.47Å
319E96.3Very high95.4Very high66 Ų6657.4 Ų57.431%0.30832%0.32SS..BIsolated β-bridgetrans-62.2140.817764.3-82.4-160.800112.3L291 T315 G317 V321 S323 L326L291-E319 CarbonylContact O-C 3.39Å; L291-E319 WeakPolarHBondContact O-CA 3.04Å; T315-E319 WeakPolarHBondContact CB-OE2 3.33Å; T315-E319 HydrophobicContact CG2-CB 4.2Å; T315-E319 WeakPolarHBondContact OG1-CB 3.38Å; T315-E319 VanDerWaalsContact OG1-CD 3.26Å; T315-E319 PolarHBondContact OG1-OE2 3.37Å; G317-E319 VanDerWaalsContact C-OE2 3.22Å; G317-E319 WeakPolarHBondContact CA-OE2 3.45Å; G317-E319 PolarHBondContact N-OE2 2.96Å; E319-V321 WeakPolarHBondContact CG-O 3.41Å; E319-S323 PolarHBondContact OE1-OG 2.91Å; E319-S323 VanDerWaalsContact OE1-OG 3.13Å; E319-L326 HydrophobicContact CB-CD1 4.18Å
320K96.1Very high95.5Very high109 Ų10953.2 Ų53.247%0.47429%0.294SS..SBendtrans-107.83.2177.5-54.4-171.1-168.4142.10112.3G290 L291 D293 L383G290-K320 VanDerWaalsContact O-CD 3.31Å; G290-K320 WeakPolarHBondContact O-CD 3.4Å; L291-K320 PolarHBondContact O-N 3.19Å; D293-K320 VanDerWaalsContact OD1-CE 3.26Å; D293-K320 WeakPolarHBondContact OD1-CE 3.44Å; D293-K320 IonicContact OD1-NZ 3.07Å; D293-K320 PolarHBondContact OD1-NZ 3.38Å; K320-L383 HydrophobicContact CB-CD1 4.37Å; K320-L383 HydrophobicContact CB-CD2 4.43Å
321V94.8Very high95.4Very high16 Ų1657.8 Ų57.810%0.09731%0.305CS..SBendtrans-137.5161175.3-63.70000109.3E319 S323 L326 A381 L383E319-V321 WeakPolarHBondContact CG-O 3.41Å; V321-S323 PolarHBondContact O-N 3.49Å; V321-L326 HydrophobicContact CG2-CD2 3.66Å; V321-L326 HydrophobicContact CG2-CG 4.04Å; V321-A381 HydrophobicContact CG1-CB 4.14Å; V321-L383 HydrophobicContact CG1-CD1 3.53Å; V321-L383 HydrophobicContact CG1-CG 3.87Å
322P93.6Very high95.4Very high88 Ų8863.3 Ų63.357%0.57133%0.331SS*.  trans-51.8129.9175.7-27.235.4000112.2E324 Q325P322-E324 PolarHBondContact O-N 3.43Å; P322-E324 VanDerWaalsContact O-N 3.17Å; P322-Q325 HydrophobicContact CB-CB 4.46Å; P322-Q325 WeakPolarHBondContact O-CB 3.48Å; P322-Q325 PolarHBondContact O-N 3Å
323S90.3Very high95.4Very high58 Ų5862.7 Ų62.741%0.40633%0.327SS..Hα-helixtrans-60.7-31.9-171.8-280000113E319 V321 Q325 L326E319-S323 PolarHBondContact OE1-OG 2.91Å; E319-S323 VanDerWaalsContact OE1-OG 3.13Å; V321-S323 PolarHBondContact O-N 3.49Å; S323-Q325 VanDerWaalsContact C-N 3.28Å; S323-Q325 PolarHBondContact O-N 3.33Å; S323-L326 WeakPolarHBondContact O-CB 3.44Å; S323-L326 PolarHBondContact O-N 3.31Å
324E91.1Very high95.4Very high167 Ų16761.9 Ų61.978%0.7832%0.321SS*.Hα-helixtrans-61.5-34.9173.8-66.4-179.4-179.200112.6P322 L326 T327 L328P322-E324 PolarHBondContact O-N 3.43Å; P322-E324 VanDerWaalsContact O-N 3.17Å; E324-L326 VanDerWaalsContact C-N 3.28Å; E324-L326 PolarHBondContact O-N 2.64Å; E324-T327 PolarHBondContact O-N 2.85Å; E324-L328 PolarHBondContact O-N 2.88Å
325Q94.7Very high95.4Very high57 Ų5761.2 Ų61.227%0.26632%0.32SS..Hα-helixtrans-64.8-34.4178.8-169.4176.83.700111.4P322 S323 T327 L328 L329P322-Q325 HydrophobicContact CB-CB 4.46Å; P322-Q325 WeakPolarHBondContact O-CB 3.48Å; P322-Q325 PolarHBondContact O-N 3Å; S323-Q325 VanDerWaalsContact C-N 3.28Å; S323-Q325 PolarHBondContact O-N 3.33Å; Q325-T327 VanDerWaalsContact C-N 3.34Å; Q325-T327 PolarHBondContact O-N 2.82Å; Q325-L328 PolarHBondContact O-N 2.78Å; Q325-L329 HydrophobicContact CG-CD1 4.22Å; Q325-L329 HydrophobicContact CG-CG 4.35Å; Q325-L329 VanDerWaalsContact O-CG 3.32Å; Q325-L329 WeakPolarHBondContact O-CG 3.31Å; Q325-L329 PolarHBondContact O-N 2.98Å
326L95.7Very high95.3Very high3 Ų361.5 Ų61.52%0.01632%0.321CS..Hα-helixtrans-60.6-44.5178.1-63.6173000111.5I286 L291 V313 T315 E319 V321 S323 E324 L328 L329 V330I286-L326 HydrophobicContact CG2-CD2 4.37Å; L291-L326 HydrophobicContact CB-CD2 3.9Å; L291-L326 HydrophobicContact CD1-CD2 3.8Å; L291-L326 HydrophobicContact CG-CD2 4.49Å; V313-L326 HydrophobicContact CG1-CB 4Å; V313-L326 HydrophobicContact CG1-CD1 4.19Å; T315-L326 HydrophobicContact CG2-CD1 3.45Å; T315-L326 VanDerWaalsContact CG2-CD1 3.45Å; E319-L326 HydrophobicContact CB-CD1 4.18Å; V321-L326 HydrophobicContact CG2-CD2 3.66Å; V321-L326 HydrophobicContact CG2-CG 4.04Å; S323-L326 WeakPolarHBondContact O-CB 3.44Å; S323-L326 PolarHBondContact O-N 3.31Å; E324-L326 VanDerWaalsContact C-N 3.28Å; E324-L326 PolarHBondContact O-N 2.64Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.39Å; L326-L329 PolarHBondContact O-N 2.85Å; L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.09Å
327T94.3Very high95.3Very high39 Ų3960.7 Ų60.724%0.23932%0.316CS..Hα-helixtrans-65.9-36.6179.4-58.20000111.5E324 Q325 V330 R331E324-T327 PolarHBondContact O-N 2.85Å; Q325-T327 VanDerWaalsContact C-N 3.34Å; Q325-T327 PolarHBondContact O-N 2.82Å; T327-V330 PolarHBondContact O-N 2.82Å; T327-R331 WeakPolarHBondContact O-CG 3.36Å; T327-R331 PolarHBondContact O-N 2.98Å; T327-R331 VanDerWaalsContact O-N 3.14Å
328L95.3Very high95.2Very high116 Ų11657.6 Ų57.661%0.60728%0.284SS*.Hα-helixtrans-65.2-47175.1-67.6173.9000111.7E324 Q325 L326 V330 R331 E332E324-L328 PolarHBondContact O-N 2.88Å; Q325-L328 PolarHBondContact O-N 2.78Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.39Å; L328-V330 VanDerWaalsContact C-N 3.29Å; L328-V330 PolarHBondContact O-N 2.81Å; L328-R331 PolarHBondContact O-N 3.21Å; L328-R331 VanDerWaalsContact O-N 3.16Å; L328-E332 WeakPolarHBondContact O-CB 3.45Å; L328-E332 PolarHBondContact O-N 3.22Å
329L96.7Very high95.1Very high8 Ų859.3 Ų59.34%0.04229%0.288CS..Hα-helixtrans-59.7-40.3176-69.7172.3000111.5L291 Q325 L326 R331 E332 F333 L377 A380 A381L291-L329 HydrophobicContact CD1-CD1 4.06Å; Q325-L329 HydrophobicContact CG-CD1 4.22Å; Q325-L329 HydrophobicContact CG-CG 4.35Å; Q325-L329 VanDerWaalsContact O-CG 3.32Å; Q325-L329 WeakPolarHBondContact O-CG 3.31Å; Q325-L329 PolarHBondContact O-N 2.98Å; L326-L329 PolarHBondContact O-N 2.85Å; L329-R331 VanDerWaalsContact C-N 3.35Å; L329-R331 PolarHBondContact O-N 2.9Å; L329-E332 PolarHBondContact O-N 2.95Å; L329-F333 HydrophobicContact CB-CD2 4.5Å; L329-F333 HydrophobicContact CD2-CD2 4.12Å; L329-F333 HydrophobicContact CD2-CE2 3.74Å; L329-F333 WeakPolarHBondContact O-CD2 3.34Å; L329-F333 PolarHBondContact O-N 3.18Å; L329-L377 HydrophobicContact CB-CD2 4.04Å; L329-A380 HydrophobicContact CD2-CB 3.55Å; L329-A381 HydrophobicContact CD1-CB 3.94Å
330V96.9Very high95.1Very high2 Ų256.3 Ų56.31%0.01228%0.275CS..Hα-helixtrans-59.3-47175.7171.20000111V282 I286 I297 I311 V313 L326 T327 L328 E332 F334 L336V282-V330 HydrophobicContact CG1-CB 4.46Å; V282-V330 HydrophobicContact CG1-CG1 4.04Å; V282-V330 HydrophobicContact CG1-CG2 3.6Å; I286-V330 HydrophobicContact CD1-CG2 3.86Å; I297-V330 HydrophobicContact CD1-CG2 4.47Å; I311-V330 HydrophobicContact CG2-CG1 4.16Å; V313-V330 HydrophobicContact CG2-CG2 4.07Å; L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.09Å; T327-V330 PolarHBondContact O-N 2.82Å; L328-V330 VanDerWaalsContact C-N 3.29Å; L328-V330 PolarHBondContact O-N 2.81Å; V330-E332 VanDerWaalsContact C-N 3.33Å; V330-E332 PolarHBondContact O-N 2.69Å; V330-F334 WeakPolarHBondContact O-CB 3.19Å; V330-F334 WeakPolarHBondContact O-CD2 3.36Å; V330-F334 PolarHBondContact O-N 3.27Å; V330-L336 HydrophobicContact CG1-CD1 4.01Å
331R94.8Very high95.2Very high135 Ų13551.1 Ų51.151%0.50925%0.252SS..Hα-helixtrans-67-32179.3-72-176.9174.9-76.7-1113.6I311 T327 L328 L329I311-R331 HydrophobicContact CD1-CG 4.13Å; T327-R331 WeakPolarHBondContact O-CG 3.36Å; T327-R331 PolarHBondContact O-N 2.98Å; T327-R331 VanDerWaalsContact O-N 3.14Å; L328-R331 PolarHBondContact O-N 3.21Å; L328-R331 VanDerWaalsContact O-N 3.16Å; L329-R331 VanDerWaalsContact C-N 3.35Å; L329-R331 PolarHBondContact O-N 2.9Å
332E95.9Very high95.2Very high141 Ų14151 Ų5166%0.65925%0.251SS*.Hα-helixtrans-77-42.3-178.5-176.4176.6177.700112.4L328 L329 V330L328-E332 WeakPolarHBondContact O-CB 3.45Å; L328-E332 PolarHBondContact O-N 3.22Å; L329-E332 PolarHBondContact O-N 2.95Å; V330-E332 VanDerWaalsContact C-N 3.33Å; V330-E332 PolarHBondContact O-N 2.69Å
333F97Very high95.4Very high45 Ų4552 Ų5220%0.19725%0.248CC..Hα-helixtrans-100.2-11.6-168.4-72.6-82000115.2L329 K373 L376 L377 A380L329-F333 HydrophobicContact CB-CD2 4.5Å; L329-F333 HydrophobicContact CD2-CD2 4.12Å; L329-F333 HydrophobicContact CD2-CE2 3.74Å; L329-F333 WeakPolarHBondContact O-CD2 3.34Å; L329-F333 PolarHBondContact O-N 3.18Å; F333-K373 PolarHBondContact O-NZ 3.39Å; F333-L376 HydrophobicContact CD1-CB 4.45Å; F333-L376 HydrophobicContact CE1-CB 4.22Å; F333-L377 HydrophobicContact CB-CD2 4.11Å; F333-L377 HydrophobicContact CD2-CD2 3.89Å; F333-L377 HydrophobicContact CG-CD2 4.09Å; F333-A380 HydrophobicContact CE2-CB 3.69Å; F333-A380 HydrophobicContact CZ-CB 3.72Å
334F97.8Very high95.7Very high7 Ų751.6 Ų51.63%0.03124%0.24CC..  trans-129.4117.6-176.9-54.3-91.1000111.3Y281 V282 N285 V330 L336 M344 K373 L377Y281-F334 AromaticContact CD1-CD1 3.92Å; Y281-F334 HydrophobicContact CD1-CD1 3.92Å; Y281-F334 AromaticContact CD1-CE1 3.71Å; Y281-F334 HydrophobicContact CD1-CE1 3.71Å; Y281-F334 AromaticContact CE1-CD1 3.79Å; Y281-F334 HydrophobicContact CE1-CD1 3.79Å; Y281-F334 AromaticContact CE1-CE1 3.51Å; Y281-F334 HydrophobicContact CE1-CE1 3.51Å; V282-F334 HydrophobicContact CB-CZ 4.5Å; V282-F334 HydrophobicContact CG1-CD2 4.43Å; V282-F334 HydrophobicContact CG1-CE2 4.23Å; V282-F334 HydrophobicContact CG2-CB 4.09Å; V282-F334 HydrophobicContact CG2-CD1 3.59Å; V282-F334 HydrophobicContact CG2-CD2 4Å; V282-F334 HydrophobicContact CG2-CE1 3.89Å; V282-F334 HydrophobicContact CG2-CE2 4.26Å; V282-F334 HydrophobicContact CG2-CG 3.64Å; V282-F334 HydrophobicContact CG2-CZ 4.2Å; N285-F334 HydrophobicContact CB-CZ 4.12Å; V330-F334 WeakPolarHBondContact O-CB 3.19Å; V330-F334 WeakPolarHBondContact O-CD2 3.36Å; V330-F334 PolarHBondContact O-N 3.27Å; F334-L336 HydrophobicContact CB-CD2 4.26Å; F334-L336 HydrophobicContact CB-CG 4.3Å; F334-L336 PolarHBondContact O-N 2.97Å; F334-M344 HydrophobicContact CB-SD 4.35Å; F334-M344 HydrophobicContact CD1-CE 4.48Å; F334-M344 HydrophobicContact CD1-SD 3.84Å; F334-K373 HydrophobicContact CE1-CB 4.11Å; F334-K373 HydrophobicContact CE1-CG 3.86Å; F334-K373 HydrophobicContact CZ-CB 3.95Å; F334-K373 HydrophobicContact CZ-CG 4.19Å; F334-L377 HydrophobicContact CE2-CD1 4.06Å; F334-L377 HydrophobicContact CE2-CD2 3.99Å; F334-L377 HydrophobicContact CE2-CG 4.47Å; F334-L377 HydrophobicContact CZ-CD1 3.94Å
335D96.7Very high96Very high58 Ų5843.9 Ų43.931%0.3120%0.204SC..  trans-81.1102.2171.3-174.2-4.1000109.4R337 G340D335-R337 VanDerWaalsContact C-N 3.34Å; D335-R337 WeakPolarHBondContact OD1-CB 3.35Å; D335-R337 WeakPolarHBondContact OD1-CG 3.16Å; D335-R337 IonicContact OD1-CZ 3.04Å; D335-R337 PolarHBondContact OD1-N 3.16Å; D335-R337 VanDerWaalsContact OD1-N 3.14Å; D335-R337 IonicContact OD1-NE 3.6Å; D335-R337 PolarHBondContact OD1-NE 3.16Å; D335-R337 IonicContact OD1-NH2 3.39Å; D335-R337 IonicContact OD2-CZ 2.75Å; D335-R337 IonicContact OD2-NE 2.81Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 2.85Å; D335-R337 PolarHBondContact OD2-NH2 2.53Å; D335-G340 CarbonylContact O-C 3.43Å
336L97Very high96.2Very high10 Ų1045.9 Ų45.95%0.05222%0.217CC..  trans-92.112.9-176.1-62.9176.1000113.4A278 V282 V299 Y301 P308 I311 V330 F334 L341A278-L336 HydrophobicContact CB-CD2 4.15Å; V282-L336 HydrophobicContact CG2-CD2 4.3Å; V299-L336 HydrophobicContact CG1-CD1 4.05Å; Y301-L336 WeakPolarHBondContact CE1-O 3.2Å; Y301-L336 PolarHBondContact OH-O 2.89Å; P308-L336 HydrophobicContact CG-CB 3.84Å; I311-L336 HydrophobicContact CD1-CD1 3.84Å; I311-L336 HydrophobicContact CG1-CD1 4.38Å; V330-L336 HydrophobicContact CG1-CD1 4.01Å; F334-L336 HydrophobicContact CB-CD2 4.26Å; F334-L336 HydrophobicContact CB-CG 4.3Å; F334-L336 PolarHBondContact O-N 2.97Å; L336-L341 HydrophobicContact CB-CD2 4.43Å; L336-L341 HydrophobicContact CD2-CD2 3.97Å
337R95.7Very high96.3Very high54 Ų5445.8 Ų45.820%0.20422%0.216CC..SBendtrans-75.5147.8169.3-62173.9-66.9172.62.1110.3A306 E307 D335 Y339 G340 L341A306-R337 HydrophobicContact CB-CG 4.44Å; A306-R337 WeakPolarHBondContact O-CA 3.43Å; E307-R337 WeakPolarHBondContact OE1-CD 3.43Å; D335-R337 VanDerWaalsContact C-N 3.34Å; D335-R337 WeakPolarHBondContact OD1-CB 3.35Å; D335-R337 WeakPolarHBondContact OD1-CG 3.16Å; D335-R337 IonicContact OD1-CZ 3.04Å; D335-R337 PolarHBondContact OD1-N 3.16Å; D335-R337 VanDerWaalsContact OD1-N 3.14Å; D335-R337 IonicContact OD1-NE 3.6Å; D335-R337 PolarHBondContact OD1-NE 3.16Å; D335-R337 IonicContact OD1-NH2 3.39Å; D335-R337 IonicContact OD2-CZ 2.75Å; D335-R337 IonicContact OD2-NE 2.81Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 2.85Å; D335-R337 PolarHBondContact OD2-NH2 2.53Å; R337-Y339 VanDerWaalsContact C-N 3.28Å; R337-Y339 PolarHBondContact O-N 3.29Å; R337-Y339 VanDerWaalsContact O-N 3.1Å; R337-G340 CarbonylContact O-C 3.52Å; R337-G340 VanDerWaalsContact O-CA 3.24Å; R337-G340 WeakPolarHBondContact O-CA 3.23Å; R337-G340 PolarHBondContact O-N 2.99Å; R337-L341 WeakPolarHBondContact O-CG 3.11Å; R337-L341 PolarHBondContact O-N 3.26Å
338P93.2Very high96.4Very high0 Ų046.6 Ų46.60%022%0.219CC..Hα-helixtrans-47-44.7-176.9-3134.5000115.1Q115 A117 V271 A306 L341 I342Q115-P338 HydrophobicContact CG-CB 4.46Å; A117-P338 HydrophobicContact CB-CG 4.34Å; V271-P338 HydrophobicContact CG1-CG 4.03Å; A306-P338 WeakPolarHBondContact O-CD 3.34Å; P338-L341 WeakPolarHBondContact O-CB 3.39Å; P338-L341 PolarHBondContact O-N 2.84Å; P338-I342 WeakPolarHBondContact O-CG1 3.48Å; P338-I342 PolarHBondContact O-N 3.02Å
339Y94Very high96.5Very high66 Ų6644.8 Ų44.826%0.25921%0.207SC..Hα-helixtrans-64-43.5174.6-177.9-94.5000112.4P112 L113 R337 L341 I342 Q343P112-Y339 HydrophobicContact CB-CD2 3.82Å; P112-Y339 HydrophobicContact CB-CE2 3.62Å; P112-Y339 VanDerWaalsContact O-CB 3.28Å; P112-Y339 WeakPolarHBondContact O-CB 3.36Å; P112-Y339 WeakPolarHBondContact O-CD2 3.34Å; L113-Y339 HydrophobicContact CD2-CD1 3.62Å; L113-Y339 HydrophobicContact CD2-CE1 3.61Å; R337-Y339 VanDerWaalsContact C-N 3.28Å; R337-Y339 PolarHBondContact O-N 3.29Å; R337-Y339 VanDerWaalsContact O-N 3.1Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 3.24Å; Y339-I342 PolarHBondContact O-N 2.94Å; Y339-Q343 HydrophobicContact CD1-CG 3.96Å; Y339-Q343 HydrophobicContact CE1-CG 3.5Å; Y339-Q343 HydrophobicContact CE2-CG 4.31Å; Y339-Q343 WeakPolarHBondContact O-CG 3.39Å; Y339-Q343 PolarHBondContact O-N 2.83Å
340G96.2Very high96.6Very high4 Ų446.5 Ų46.54%0.04122%0.219CC..Hα-helixtrans-57.5-41.7173.800000112.8D335 R337 I342 Q343 M344D335-G340 CarbonylContact O-C 3.43Å; R337-G340 CarbonylContact O-C 3.52Å; R337-G340 VanDerWaalsContact O-CA 3.24Å; R337-G340 WeakPolarHBondContact O-CA 3.23Å; R337-G340 PolarHBondContact O-N 2.99Å; G340-I342 PolarHBondContact O-N 2.79Å; G340-Q343 PolarHBondContact O-N 2.8Å; G340-M344 WeakPolarHBondContact O-CB 3.32Å; G340-M344 PolarHBondContact O-N 3.03Å
341L97.1Very high96.6Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-58.3-47.6175.8-51.7-178.8000111.5A275 A278 L336 R337 P338 Y339 L345A275-L341 HydrophobicContact CB-CD1 3.77Å; A278-L341 HydrophobicContact CB-CD2 3.52Å; L336-L341 HydrophobicContact CB-CD2 4.43Å; L336-L341 HydrophobicContact CD2-CD2 3.97Å; R337-L341 WeakPolarHBondContact O-CG 3.11Å; R337-L341 PolarHBondContact O-N 3.26Å; P338-L341 WeakPolarHBondContact O-CB 3.39Å; P338-L341 PolarHBondContact O-N 2.84Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 3.24Å; L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 2.9Å; L341-L345 VanDerWaalsContact O-N 3.15Å
342I96.2Very high96.8Very high12 Ų1242.4 Ų42.46%0.06221%0.206CC..Hα-helixtrans-64.3-44.8-178.6-66.5170.8000110.9P268 P338 Y339 G340 D346 L347 L348P268-I342 HydrophobicContact CB-CD1 4.12Å; P268-I342 HydrophobicContact CB-CG1 3.79Å; P338-I342 WeakPolarHBondContact O-CG1 3.48Å; P338-I342 PolarHBondContact O-N 3.02Å; Y339-I342 PolarHBondContact O-N 2.94Å; G340-I342 PolarHBondContact O-N 2.79Å; I342-D346 VanDerWaalsContact O-CA 3.32Å; I342-D346 WeakPolarHBondContact O-CA 3.35Å; I342-D346 PolarHBondContact O-N 2.79Å; I342-L347 HydrophobicContact CG2-CB 4.49Å; I342-L347 PolarHBondContact O-N 3.01Å; I342-L347 VanDerWaalsContact O-N 3.16Å; I342-L348 HydrophobicContact CG2-CD1 3.94Å; I342-L348 HydrophobicContact CG2-CD2 3.73Å; I342-L348 HydrophobicContact CG2-CG 3.53Å
343Q96.3Very high97Very high111 Ų11137.9 Ų37.952%0.51919%0.185SC..Hα-helixtrans-70.3-43.8179.8-66.8-56.9-65.100112.3Y339 G340 L345Y339-Q343 HydrophobicContact CD1-CG 3.96Å; Y339-Q343 HydrophobicContact CE1-CG 3.5Å; Y339-Q343 HydrophobicContact CE2-CG 4.31Å; Y339-Q343 WeakPolarHBondContact O-CG 3.39Å; Y339-Q343 PolarHBondContact O-N 2.83Å; G340-Q343 PolarHBondContact O-N 2.8Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 2.65Å
344M97Very high97Very high48 Ų4841 Ų4124%0.23620%0.2CC..Hα-helixtrans-63.3-37.4-177.5179.7173.865.500112.1A278 Y281 F334 G340A278-M344 HydrophobicContact CB-CE 3.99Å; Y281-M344 HydrophobicContact CD1-CE 3.98Å; Y281-M344 HydrophobicContact CD1-SD 4.09Å; Y281-M344 HydrophobicContact CE1-CE 4.27Å; Y281-M344 HydrophobicContact CE1-CG 4.09Å; Y281-M344 HydrophobicContact CE1-SD 3.77Å; F334-M344 HydrophobicContact CB-SD 4.35Å; F334-M344 HydrophobicContact CD1-CE 4.48Å; F334-M344 HydrophobicContact CD1-SD 3.84Å; G340-M344 WeakPolarHBondContact O-CB 3.32Å; G340-M344 PolarHBondContact O-N 3.03Å
345L98.1Very high97Very high5 Ų540.6 Ų40.63%0.02620%0.198CC..Hα-helixtrans-106.12.2-174.8-61.1178.3000113.6A278 Y281 L341 Q343 L347 P367 W368A278-L345 HydrophobicContact CB-CD1 4.09Å; Y281-L345 HydrophobicContact CD1-CD2 4.01Å; Y281-L345 HydrophobicContact CD2-CD2 4.18Å; Y281-L345 HydrophobicContact CE1-CD2 4.38Å; Y281-L345 HydrophobicContact CG-CD2 3.89Å; L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 2.9Å; L341-L345 VanDerWaalsContact O-N 3.15Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 2.65Å; L345-L347 HydrophobicContact CB-CD1 4.2Å; L345-L347 HydrophobicContact CB-CD2 3.62Å; L345-L347 HydrophobicContact CB-CG 3.7Å; L345-L347 HydrophobicContact CD1-CD1 4.42Å; L345-L347 HydrophobicContact CD1-CD2 4.49Å; L345-P367 HydrophobicContact CB-CB 4.39Å; L345-P367 WeakPolarHBondContact O-CB 3.12Å; L345-P367 WeakPolarHBondContact O-CG 3.26Å; L345-W368 HydrophobicContact CD1-CB 4.2Å; L345-W368 HydrophobicContact CD2-CB 4.15Å
346D97.4Very high97.2Very high99 Ų9937.9 Ų37.953%0.52918%0.183SC..THydrogen-bonded Turntrans47.563.2-178.1-16524.2000111.7I342 H349I342-D346 VanDerWaalsContact O-CA 3.32Å; I342-D346 WeakPolarHBondContact O-CA 3.35Å; I342-D346 PolarHBondContact O-N 2.79Å; D346-H349 PolarHBondContact O-CD2 3.41Å; D346-H349 VanDerWaalsContact O-CD2 3.29Å; D346-H349 IonicContact OD1-CD2 2.74Å; D346-H349 PolarHBondContact OD1-CD2 2.88Å; D346-H349 IonicContact OD1-NE2 2.71Å; D346-H349 PolarHBondContact OD1-NE2 3.09Å; D346-H349 IonicContact OD2-CD2 3.45Å; D346-H349 IonicContact OD2-NE2 2.87Å; D346-H349 PolarHBondContact OD2-NE2 3.26Å
347L98.2Very high97.2Very high1 Ų137.5 Ų37.51%0.00518%0.182CC..  trans-89.3-9.1-167.5-64.8-178.5000114.5P268 Y277 I342 L345 H349 Y352 W368P268-L347 HydrophobicContact CB-CB 3.73Å; P268-L347 HydrophobicContact CB-CD1 4.04Å; P268-L347 HydrophobicContact CG-CB 3.62Å; P268-L347 WeakPolarHBondContact CG-O 3.45Å; Y277-L347 HydrophobicContact CD2-CD2 4.42Å; I342-L347 HydrophobicContact CG2-CB 4.49Å; I342-L347 PolarHBondContact O-N 3.01Å; I342-L347 VanDerWaalsContact O-N 3.16Å; L345-L347 HydrophobicContact CB-CD1 4.2Å; L345-L347 HydrophobicContact CB-CD2 3.62Å; L345-L347 HydrophobicContact CB-CG 3.7Å; L345-L347 HydrophobicContact CD1-CD1 4.42Å; L345-L347 HydrophobicContact CD1-CD2 4.49Å; L347-H349 PolarHBondContact O-N 2.52Å; L347-Y352 WeakPolarHBondContact CB-OH 3.28Å; L347-Y352 PolarHBondContact O-OH 3.27Å; L347-W368 HydrophobicContact CD2-CE3 4.2Å; L347-W368 HydrophobicContact CD2-CZ3 4.14Å
348L97.3Very high97.4Very high56 Ų5636.1 Ų36.129%0.29318%0.177SC..SBendtrans-86.549.4-174.8-54.7-175.6000112.3P36 P268 I342P36-L348 HydrophobicContact CB-CB 4.12Å; P36-L348 WeakPolarHBondContact O-CD2 3.3Å; P268-L348 HydrophobicContact CB-CD2 4.3Å; P268-L348 HydrophobicContact CG-CD2 4.1Å; I342-L348 HydrophobicContact CG2-CD1 3.94Å; I342-L348 HydrophobicContact CG2-CD2 3.73Å; I342-L348 HydrophobicContact CG2-CG 3.53Å
349H96.9Very high97.6Very high78 Ų7836.2 Ų36.236%0.36118%0.177SC..SBendtrans-134.9155-179.8-61.9-81.3000111.2D346 L347 I351 Y352D346-H349 PolarHBondContact O-CD2 3.41Å; D346-H349 VanDerWaalsContact O-CD2 3.29Å; D346-H349 IonicContact OD1-CD2 2.74Å; D346-H349 PolarHBondContact OD1-CD2 2.88Å; D346-H349 IonicContact OD1-NE2 2.71Å; D346-H349 PolarHBondContact OD1-NE2 3.09Å; D346-H349 IonicContact OD2-CD2 3.45Å; D346-H349 IonicContact OD2-NE2 2.87Å; D346-H349 PolarHBondContact OD2-NE2 3.26Å; L347-H349 PolarHBondContact O-N 2.52Å; H349-I351 VanDerWaalsContact C-N 3.31Å; H349-I351 HydrophobicContact CB-CG2 3.93Å; H349-I351 PolarHBondContact O-N 3.28Å; H349-Y352 WeakPolarHBondContact O-CE2 3.43Å
350P98Very high97.9Very high45 Ų4533 Ų3329%0.29217%0.165SC..SBendtrans-78.978.317829.1-29.2000111.5D29 E33D29-P350 HydrophobicContact CB-CB 3.73Å; D29-P350 WeakPolarHBondContact O-CB 3.47Å; D29-P350 VanDerWaalsContact OD1-C 3.25Å; D29-P350 VanDerWaalsContact OD1-CA 3.26Å; D29-P350 WeakPolarHBondContact OD1-CA 3.42Å; E33-P350 HydrophobicContact CB-CB 4.49Å; E33-P350 HydrophobicContact CB-CG 4.2Å; E33-P350 WeakPolarHBondContact OE2-CG 3.28Å
351I98.3Very high98Very high50 Ų5033.1 Ų33.126%0.25616%0.164SC..  trans-1228.9-174.963.1170.6000112.9D29 H349 P367 W368D29-I351 PolarHBondContact OD1-N 3.01Å; H349-I351 VanDerWaalsContact C-N 3.31Å; H349-I351 HydrophobicContact CB-CG2 3.93Å; H349-I351 PolarHBondContact O-N 3.28Å; I351-P367 HydrophobicContact CD1-CG 4Å; I351-W368 HydrophobicContact CD1-CZ3 4.2Å
352Y98.8Very high98.1Very high0 Ų033.8 Ų33.80%017%0.172CC..  trans-96.4-31.7-162.7-62.2-73.1000114.3L28 D29 L32 P268 Y277 L347 H349 E354 T355L28-Y352 HydrophobicContact CD2-CD1 4.5Å; L28-Y352 HydrophobicContact CD2-CD2 3.56Å; L28-Y352 HydrophobicContact CD2-CE2 4.23Å; L28-Y352 HydrophobicContact CD2-CG 3.72Å; L28-Y352 HydrophobicContact CG-CD2 4.1Å; D29-Y352 WeakPolarHBondContact OD1-CB 3.43Å; D29-Y352 WeakPolarHBondContact OD1-CD2 3.26Å; D29-Y352 PolarHBondContact OD1-N 3.23Å; D29-Y352 PolarHBondContact OD2-N 3.37Å; L32-Y352 HydrophobicContact CD1-CD2 3.78Å; L32-Y352 HydrophobicContact CD1-CE2 3.44Å; L32-Y352 VanDerWaalsContact CD1-CE2 3.44Å; P268-Y352 VanDerWaalsContact CG-OH 3.23Å; P268-Y352 WeakPolarHBondContact CG-OH 3.14Å; Y277-Y352 HydrophobicContact CE2-CD1 4.48Å; Y277-Y352 HydrophobicContact CE2-CE1 4.07Å; L347-Y352 WeakPolarHBondContact CB-OH 3.28Å; L347-Y352 PolarHBondContact O-OH 3.27Å; H349-Y352 WeakPolarHBondContact O-CE2 3.43Å; Y352-E354 PolarHBondContact O-N 3.4Å; Y352-E354 VanDerWaalsContact O-N 3.17Å; Y352-T355 WeakPolarHBondContact O-CA 3.48Å; Y352-T355 VanDerWaalsContact O-CB 3.32Å; Y352-T355 WeakPolarHBondContact O-CB 3.22Å; Y352-T355 PolarHBondContact O-N 3.15Å; Y352-T355 PolarHBondContact O-OG1 3.41Å
353K98.6Very high98.2Very high47 Ų4734.8 Ų34.820%0.20418%0.175CC..G310 helixtrans-56.5-37.3-179.8-174.5-176.3-172.4178.60111.8A26 D29 T72 E75 T355 A356A26-K353 HydrophobicContact CB-CD 3.89Å; A26-K353 HydrophobicContact CB-CG 4.24Å; D29-K353 WeakPolarHBondContact OD2-CB 3.38Å; D29-K353 PolarHBondContact OD2-N 3.41Å; T72-K353 PolarHBondContact OG1-NZ 3.15Å; E75-K353 IonicContact OE1-NZ 2.73Å; E75-K353 IonicContact OE2-NZ 3Å; E75-K353 PolarHBondContact OE2-NZ 3.15Å; K353-T355 PolarHBondContact O-N 3.06Å; K353-A356 WeakPolarHBondContact O-CB 3.35Å; K353-A356 PolarHBondContact O-N 3.38Å
354E98.1Very high98.2Very high109 Ų10934.3 Ų34.351%0.50917%0.172SC..G310 helixtrans-64.5-25.4177.8-144.2-160.2134.700112.4Y352 R363 H365 F366Y352-E354 PolarHBondContact O-N 3.4Å; Y352-E354 VanDerWaalsContact O-N 3.17Å; E354-R363 VanDerWaalsContact O-CZ 3.24Å; E354-R363 PolarHBondContact O-NH1 3.34Å; E354-R363 PolarHBondContact O-NH2 3.02Å; E354-R363 IonicContact OE1-CZ 3.27Å; E354-R363 IonicContact OE1-NH2 2.83Å; E354-R363 PolarHBondContact OE1-NH2 3.37Å; E354-H365 IonicContact OE1-CE1 3.48Å; E354-H365 PolarHBondContact OE1-CE1 3.13Å; E354-H365 IonicContact OE1-NE2 3.61Å; E354-H365 PolarHBondContact OE1-NE2 3.23Å; E354-H365 IonicContact OE2-CD2 2.85Å; E354-H365 IonicContact OE2-NE2 3.52Å; E354-H365 PolarHBondContact OE2-NE2 3.15Å; E354-F366 HydrophobicContact CB-CE1 4.33Å; E354-F366 HydrophobicContact CB-CZ 4.17Å
355T98.8Very high98.2Very high0 Ų037.2 Ų37.20%019%0.185CC..G310 helixtrans-76.7-26.3-18073.70000113.1Y352 K353 A357 H360 F366 W368Y352-T355 WeakPolarHBondContact O-CA 3.48Å; Y352-T355 VanDerWaalsContact O-CB 3.32Å; Y352-T355 WeakPolarHBondContact O-CB 3.22Å; Y352-T355 PolarHBondContact O-N 3.15Å; Y352-T355 PolarHBondContact O-OG1 3.41Å; K353-T355 PolarHBondContact O-N 3.06Å; T355-A357 PolarHBondContact O-N 2.82Å; T355-H360 WeakPolarHBondContact CB-ND1 3.47Å; T355-H360 PolarHBondContact O-CD2 3.05Å; T355-H360 VanDerWaalsContact O-CD2 3.29Å; T355-H360 PolarHBondContact O-NE2 3.35Å; T355-H360 PolarHBondContact OG1-CE1 3.47Å; T355-H360 PolarHBondContact OG1-ND1 3.38Å; T355-F366 HydrophobicContact CG2-CD1 4.27Å; T355-F366 HydrophobicContact CG2-CE1 3.6Å; T355-F366 HydrophobicContact CG2-CE2 4.03Å; T355-F366 HydrophobicContact CG2-CZ 3.47Å; T355-F366 VanDerWaalsContact CG2-CZ 3.47Å; T355-W368 HydrophobicContact CG2-CH2 3.83Å; T355-W368 HydrophobicContact CG2-CZ2 3.88Å
356A98.8Very high98.2Very high0 Ų037.2 Ų37.20%019%0.185CC..G310 helixtrans-67.5-8.2-168.500000114.8K18 D21 Q22 D25 K353K18-A356 VanDerWaalsContact CD-O 3.27Å; K18-A356 WeakPolarHBondContact CD-O 3.45Å; K18-A356 WeakPolarHBondContact CE-O 3.1Å; K18-A356 PolarHBondContact NZ-O 2.94Å; D21-A356 HydrophobicContact CB-CB 4.09Å; Q22-A356 HydrophobicContact CB-CB 4.23Å; Q22-A356 HydrophobicContact CG-CB 3.65Å; D25-A356 HydrophobicContact CB-CB 4.29Å; K353-A356 WeakPolarHBondContact O-CB 3.35Å; K353-A356 PolarHBondContact O-N 3.38Å
357A98.7Very high98.3Very high3 Ų333.6 Ų33.63%0.02517%0.167CC..SBendtrans-137.3158169.800000110.8E13 T355 G359 R363E13-A357 HydrophobicContact CB-CB 4.11Å; T355-A357 PolarHBondContact O-N 2.82Å; A357-G359 VanDerWaalsContact C-N 3.26Å; A357-G359 PolarHBondContact O-N 2.75Å; A357-R363 PolarHBondContact O-NH1 3.04Å
358Y98.7Very high98.3Very high25 Ų2533.5 Ų33.510%0.09817%0.166CC..SBendtrans64.723.6177.5-39.6-63.8000115.5E13 H143 V146 Q147 A150E13-Y358 HydrophobicContact CB-CE2 4.36Å; E13-Y358 WeakPolarHBondContact CB-OH 3.16Å; E13-Y358 WeakPolarHBondContact CG-OH 3.36Å; E13-Y358 PolarHBondContact N-OH 2.86Å; E13-Y358 PolarHBondContact OE2-OH 3.45Å; H143-Y358 VanDerWaalsContact ND1-C 3.34Å; V146-Y358 HydrophobicContact CG2-CD1 4.04Å; V146-Y358 HydrophobicContact CG2-CE1 4.25Å; Q147-Y358 HydrophobicContact CB-CD1 3.79Å; Q147-Y358 HydrophobicContact CB-CE1 4.05Å; Q147-Y358 HydrophobicContact CB-CG 4.17Å; Q147-Y358 HydrophobicContact CG-CD1 4.3Å; Q147-Y358 HydrophobicContact CG-CD2 4.43Å; Q147-Y358 HydrophobicContact CG-CE1 4.49Å; Q147-Y358 HydrophobicContact CG-CG 4.27Å; A150-Y358 WeakPolarHBondContact CB-OH 3.45Å
359G98.8Very high98.3Very high1 Ų130.9 Ų30.91%0.0115%0.152CC..  trans84.4143.7175.800000112.8H143 A357 F361 R363H143-G359 VanDerWaalsContact CE1-CA 3.48Å; H143-G359 WeakPolarHBondContact CE1-CA 3.32Å; H143-G359 PolarHBondContact CE1-N 3.45Å; H143-G359 VanDerWaalsContact CE1-N 3.31Å; H143-G359 WeakPolarHBondContact NE2-CA 3.28Å; A357-G359 VanDerWaalsContact C-N 3.26Å; A357-G359 PolarHBondContact O-N 2.75Å; G359-F361 VanDerWaalsContact C-N 3.32Å; G359-R363 WeakPolarHBondContact O-CD 3.5Å; G359-R363 PolarHBondContact O-NH1 2.95Å
360H98.9Very high98.4Very high0 Ų032.7 Ų32.70%016%0.159CC..SBendtrans-80.5-18.9176.6-70.8-116.5000112D250 F263 Y277 T355 W368D250-H360 PolarHBondContact O-N 2.75Å; D250-H360 IonicContact OD1-CD2 3.41Å; D250-H360 IonicContact OD1-NE2 2.73Å; F263-H360 HydrophobicContact CD2-CB 4.36Å; F263-H360 AromaticContact CD2-CD2 3.66Å; F263-H360 AromaticContact CD2-CE1 3.63Å; F263-H360 AromaticContact CD2-CG 3.61Å; F263-H360 AromaticContact CD2-ND1 3.56Å; F263-H360 AromaticContact CD2-NE2 3.65Å; F263-H360 HydrophobicContact CE2-CB 4.42Å; Y277-H360 HydrophobicContact CE1-CB 4.13Å; Y277-H360 AromaticContact CE1-ND1 3.61Å; Y277-H360 AromaticContact CZ-ND1 3.56Å; Y277-H360 PolarHBondContact OH-CE1 3.29Å; Y277-H360 PolarHBondContact OH-ND1 2.85Å; T355-H360 WeakPolarHBondContact CB-ND1 3.47Å; T355-H360 PolarHBondContact O-CD2 3.05Å; T355-H360 VanDerWaalsContact O-CD2 3.29Å; T355-H360 PolarHBondContact O-NE2 3.35Å; T355-H360 PolarHBondContact OG1-CE1 3.47Å; T355-H360 PolarHBondContact OG1-ND1 3.38Å; H360-W368 PolarHBondContact O-NE1 3.44Å
361F98.9Very high98.4Very high5 Ų533.3 Ų33.32%0.02216%0.163CC..SBendtrans-119.1153.9-171.7-51.2-41.3000112.6M135 T251 Y252 F263 Y277 R280 G359 W368 E369M135-F361 HydrophobicContact CE-CB 3.79Å; M135-F361 HydrophobicContact SD-CB 3.73Å; T251-F361 HydrophobicContact CG2-CE2 3.77Å; Y252-F361 HydrophobicContact CD1-CD2 4.1Å; Y252-F361 HydrophobicContact CE1-CB 4.5Å; Y252-F361 AromaticContact CE1-CD2 3.39Å; Y252-F361 HydrophobicContact CE1-CD2 3.39Å; Y252-F361 AromaticContact CE1-CE2 3.89Å; Y252-F361 HydrophobicContact CE1-CE2 3.89Å; Y252-F361 HydrophobicContact CE1-CG 4.2Å; Y252-F361 HydrophobicContact CE2-CD2 4.22Å; Y252-F361 AromaticContact CE2-CE2 3.91Å; Y252-F361 HydrophobicContact CE2-CE2 3.91Å; Y252-F361 AromaticContact CZ-CD2 3.46Å; Y252-F361 VanDerWaalsContact CZ-CD2 3.46Å; Y252-F361 AromaticContact CZ-CE2 3.42Å; Y252-F361 VanDerWaalsContact CZ-CE2 3.42Å; Y252-F361 VanDerWaalsContact OH-CE2 3.24Å; Y252-F361 WeakPolarHBondContact OH-CE2 3.23Å; F263-F361 HydrophobicContact CE2-CZ 4.41Å; F263-F361 HydrophobicContact CZ-CZ 4.34Å; Y277-F361 AromaticContact CD1-CE1 3.65Å; Y277-F361 HydrophobicContact CD1-CE1 3.65Å; Y277-F361 HydrophobicContact CD1-CZ 4.12Å; Y277-F361 HydrophobicContact CE1-CE1 4.13Å; R280-F361 HydrophobicContact CB-CD1 3.89Å; R280-F361 HydrophobicContact CB-CE1 3.78Å; R280-F361 HydrophobicContact CB-CG 4.37Å; R280-F361 HydrophobicContact CB-CZ 4.15Å; R280-F361 HydrophobicContact CG-CB 4.3Å; R280-F361 HydrophobicContact CG-CD1 3.57Å; R280-F361 HydrophobicContact CG-CE1 4.01Å; R280-F361 HydrophobicContact CG-CG 3.92Å; G359-F361 VanDerWaalsContact C-N 3.32Å; F361-W368 AromaticContact CD1-CD1 3.82Å; F361-W368 AromaticContact CD1-NE1 3.66Å; F361-E369 WeakPolarHBondContact CA-OE1 3.49Å
362G98.7Very high98.4Very high15 Ų1535.5 Ų35.516%0.15518%0.175CC..SBendtrans81.323.7-178.200000114.9E369G362-E369 WeakPolarHBondContact CA-OE2 3.43Å; G362-E369 PolarHBondContact N-OE1 2.94Å; G362-E369 PolarHBondContact N-OE2 3.39Å
363R98.4Very high98.4Very high33 Ų3337.8 Ų37.813%0.12519%0.185CC..  trans-126.5100.3-178.8-69.4167.758.9-170.22.7110.4E354 A357 G359 H365 F366 E369E354-R363 VanDerWaalsContact O-CZ 3.24Å; E354-R363 PolarHBondContact O-NH1 3.34Å; E354-R363 PolarHBondContact O-NH2 3.02Å; E354-R363 IonicContact OE1-CZ 3.27Å; E354-R363 IonicContact OE1-NH2 2.83Å; E354-R363 PolarHBondContact OE1-NH2 3.37Å; A357-R363 PolarHBondContact O-NH1 3.04Å; G359-R363 WeakPolarHBondContact O-CD 3.5Å; G359-R363 PolarHBondContact O-NH1 2.95Å; R363-H365 PolarHBondContact O-N 2.94Å; R363-F366 HydrophobicContact CB-CD2 3.74Å; R363-F366 HydrophobicContact CB-CE2 3.78Å; R363-F366 HydrophobicContact CG-CE2 4.47Å; R363-F366 VanDerWaalsContact CZ-CZ 3.45Å; R363-F366 PolarHBondContact O-N 3.36Å; R363-F366 VanDerWaalsContact O-N 3.13Å; R363-E369 WeakPolarHBondContact O-CG 3.41Å
364E96.8Very high98.4Very high100 Ų10036.1 Ų36.147%0.46718%0.179SC..THydrogen-bonded Turntrans-58-20.3-161.8-63.3-57.3132.800117V133 K284 F366V133-E364 HydrophobicContact CG1-CG 4.46Å; K284-E364 VanDerWaalsContact NZ-CD 3.3Å; K284-E364 IonicContact NZ-OE1 4Å; K284-E364 PolarHBondContact NZ-OE1 3.06Å; K284-E364 IonicContact NZ-OE2 3.81Å; K284-E364 PolarHBondContact NZ-OE2 2.9Å; K284-E364 VanDerWaalsContact NZ-OE2 3.15Å; E364-F366 VanDerWaalsContact C-N 3.29Å; E364-F366 PolarHBondContact O-N 3.5Å
365H96.5Very high98.3Very high109 Ų10936.2 Ų36.251%0.50518%0.18SC..THydrogen-bonded Turntrans-75.6-15.6179.757.9-100.9000113.5E354 R363E354-H365 IonicContact OE1-CE1 3.48Å; E354-H365 PolarHBondContact OE1-CE1 3.13Å; E354-H365 IonicContact OE1-NE2 3.61Å; E354-H365 PolarHBondContact OE1-NE2 3.23Å; E354-H365 IonicContact OE2-CD2 2.85Å; E354-H365 IonicContact OE2-NE2 3.52Å; E354-H365 PolarHBondContact OE2-NE2 3.15Å; R363-H365 PolarHBondContact O-N 2.94Å
366F98.6Very high98.2Very high5 Ų540.4 Ų40.42%0.02220%0.202CC..SBendtrans-77.6145.3179.9-66.6-51.3000112.9E354 T355 R363 E364 W368 E369E354-F366 HydrophobicContact CB-CE1 4.33Å; E354-F366 HydrophobicContact CB-CZ 4.17Å; T355-F366 HydrophobicContact CG2-CD1 4.27Å; T355-F366 HydrophobicContact CG2-CE1 3.6Å; T355-F366 HydrophobicContact CG2-CE2 4.03Å; T355-F366 HydrophobicContact CG2-CZ 3.47Å; T355-F366 VanDerWaalsContact CG2-CZ 3.47Å; R363-F366 HydrophobicContact CB-CD2 3.74Å; R363-F366 HydrophobicContact CB-CE2 3.78Å; R363-F366 HydrophobicContact CG-CE2 4.47Å; R363-F366 VanDerWaalsContact CZ-CZ 3.45Å; R363-F366 PolarHBondContact O-N 3.36Å; R363-F366 VanDerWaalsContact O-N 3.13Å; E364-F366 VanDerWaalsContact C-N 3.29Å; E364-F366 PolarHBondContact O-N 3.5Å; F366-W368 VanDerWaalsContact C-N 3.31Å; F366-W368 HydrophobicContact CB-CD2 3.99Å; F366-W368 HydrophobicContact CB-CE3 4.36Å; F366-W368 HydrophobicContact CB-CH2 3.99Å; F366-W368 HydrophobicContact CB-CZ2 3.59Å; F366-W368 HydrophobicContact CB-CZ3 4.36Å; F366-W368 AromaticContact CD1-CH2 3.86Å; F366-W368 HydrophobicContact CD1-CH2 3.86Å; F366-W368 AromaticContact CD1-CZ2 3.9Å; F366-W368 HydrophobicContact CD1-CZ2 3.9Å; F366-W368 AromaticContact CD2-CZ2 3.76Å; F366-W368 HydrophobicContact CD2-CZ2 3.76Å; F366-W368 HydrophobicContact CE2-CZ2 4.38Å; F366-W368 AromaticContact CG-CE2 3.96Å; F366-W368 AromaticContact CG-CH2 3.9Å; F366-W368 HydrophobicContact CG-CH2 3.9Å; F366-W368 AromaticContact CG-CZ2 3.49Å; F366-W368 HydrophobicContact CG-CZ2 3.49Å; F366-W368 VanDerWaalsContact CG-CZ2 3.49Å; F366-W368 PolarHBondContact O-N 3.1Å; F366-E369 HydrophobicContact CB-CG 4.21Å; F366-E369 WeakPolarHBondContact O-CB 3.47Å; F366-E369 PolarHBondContact O-N 3.19Å
367P98.5Very high98.2Very high23 Ų2340.5 Ų40.515%0.14920%0.202CC..G310 helixtrans-56-40.2-177-26.934.1000114.7L345 I351 E369 K370L345-P367 HydrophobicContact CB-CB 4.39Å; L345-P367 WeakPolarHBondContact O-CB 3.12Å; L345-P367 WeakPolarHBondContact O-CG 3.26Å; I351-P367 HydrophobicContact CD1-CG 4Å; P367-E369 PolarHBondContact O-N 2.88Å; P367-K370 WeakPolarHBondContact O-CG 3.48Å; P367-K370 PolarHBondContact O-N 2.81Å
368W98.8Very high98.1Very high0 Ų044.6 Ų44.60%022%0.217CC..G310 helixtrans-76-6.3179.655.285.2000114.2Y277 Y281 L345 L347 I351 T355 H360 F361 F366Y277-W368 HydrophobicContact CD1-CD2 4.46Å; Y277-W368 AromaticContact CD2-CD2 3.66Å; Y277-W368 HydrophobicContact CD2-CD2 3.66Å; Y277-W368 AromaticContact CD2-CE3 3.29Å; Y277-W368 HydrophobicContact CD2-CE3 3.29Å; Y277-W368 AromaticContact CD2-CH2 3.75Å; Y277-W368 HydrophobicContact CD2-CH2 3.75Å; Y277-W368 HydrophobicContact CD2-CZ2 4.06Å; Y277-W368 AromaticContact CD2-CZ3 3.34Å; Y277-W368 HydrophobicContact CD2-CZ3 3.34Å; Y277-W368 HydrophobicContact CE1-CZ2 4.38Å; Y277-W368 HydrophobicContact CE2-CD2 4.2Å; Y277-W368 AromaticContact CE2-CE3 3.8Å; Y277-W368 HydrophobicContact CE2-CE3 3.8Å; Y277-W368 AromaticContact CE2-CH2 3.3Å; Y277-W368 HydrophobicContact CE2-CH2 3.3Å; Y277-W368 AromaticContact CE2-CZ2 3.73Å; Y277-W368 HydrophobicContact CE2-CZ2 3.73Å; Y277-W368 AromaticContact CE2-CZ3 3.34Å; Y277-W368 HydrophobicContact CE2-CZ3 3.34Å; Y277-W368 AromaticContact CG-CD2 3.79Å; Y277-W368 HydrophobicContact CG-CD2 3.79Å; Y277-W368 AromaticContact CG-CE3 3.89Å; Y277-W368 HydrophobicContact CG-CE3 3.89Å; Y277-W368 HydrophobicContact CG-CG 4.22Å; Y277-W368 HydrophobicContact CG-CZ3 4.3Å; Y277-W368 AromaticContact CZ-CH2 3.87Å; Y277-W368 AromaticContact CZ-CZ2 3.9Å; Y277-W368 WeakPolarHBondContact O-CB 3.49Å; Y281-W368 WeakPolarHBondContact CA-O 3.44Å; Y281-W368 WeakPolarHBondContact CB-O 3.38Å; L345-W368 HydrophobicContact CD1-CB 4.2Å; L345-W368 HydrophobicContact CD2-CB 4.15Å; L347-W368 HydrophobicContact CD2-CE3 4.2Å; L347-W368 HydrophobicContact CD2-CZ3 4.14Å; I351-W368 HydrophobicContact CD1-CZ3 4.2Å; T355-W368 HydrophobicContact CG2-CH2 3.83Å; T355-W368 HydrophobicContact CG2-CZ2 3.88Å; H360-W368 PolarHBondContact O-NE1 3.44Å; F361-W368 AromaticContact CD1-CD1 3.82Å; F361-W368 AromaticContact CD1-NE1 3.66Å; F366-W368 VanDerWaalsContact C-N 3.31Å; F366-W368 HydrophobicContact CB-CD2 3.99Å; F366-W368 HydrophobicContact CB-CE3 4.36Å; F366-W368 HydrophobicContact CB-CH2 3.99Å; F366-W368 HydrophobicContact CB-CZ2 3.59Å; F366-W368 HydrophobicContact CB-CZ3 4.36Å; F366-W368 AromaticContact CD1-CH2 3.86Å; F366-W368 HydrophobicContact CD1-CH2 3.86Å; F366-W368 AromaticContact CD1-CZ2 3.9Å; F366-W368 HydrophobicContact CD1-CZ2 3.9Å; F366-W368 AromaticContact CD2-CZ2 3.76Å; F366-W368 HydrophobicContact CD2-CZ2 3.76Å; F366-W368 HydrophobicContact CE2-CZ2 4.38Å; F366-W368 AromaticContact CG-CE2 3.96Å; F366-W368 AromaticContact CG-CH2 3.9Å; F366-W368 HydrophobicContact CG-CH2 3.9Å; F366-W368 AromaticContact CG-CZ2 3.49Å; F366-W368 HydrophobicContact CG-CZ2 3.49Å; F366-W368 VanDerWaalsContact CG-CZ2 3.49Å; F366-W368 PolarHBondContact O-N 3.1Å
369E98.8Very high98Very high0 Ų048.2 Ų48.20%024%0.238CC..G310 helixtrans-91.5-5.7174.9-68.5-65.2146.200112.4R280 K284 F361 G362 R363 F366 P367R280-E369 IonicContact CZ-OE1 2.82Å; R280-E369 IonicContact CZ-OE2 3.72Å; R280-E369 IonicContact NE-OE1 3.85Å; R280-E369 PolarHBondContact NE-OE1 3.37Å; R280-E369 IonicContact NE-OE2 2.89Å; R280-E369 IonicContact NH2-OE1 3.87Å; R280-E369 PolarHBondContact NH2-OE1 2.82Å; R280-E369 IonicContact NH2-OE2 3.67Å; R280-E369 PolarHBondContact NH2-OE2 2.95Å; K284-E369 WeakPolarHBondContact CD-O 3.36Å; K284-E369 WeakPolarHBondContact CD-OE2 3.27Å; K284-E369 VanDerWaalsContact CE-O 3.32Å; K284-E369 WeakPolarHBondContact CE-O 3.44Å; K284-E369 WeakPolarHBondContact CE-OE2 3.5Å; K284-E369 PolarHBondContact NZ-O 2.75Å; K284-E369 IonicContact NZ-OE2 3.98Å; K284-E369 PolarHBondContact NZ-OE2 2.82Å; F361-E369 WeakPolarHBondContact CA-OE1 3.49Å; G362-E369 WeakPolarHBondContact CA-OE2 3.43Å; G362-E369 PolarHBondContact N-OE1 2.94Å; G362-E369 PolarHBondContact N-OE2 3.39Å; R363-E369 WeakPolarHBondContact O-CG 3.41Å; F366-E369 HydrophobicContact CB-CG 4.21Å; F366-E369 WeakPolarHBondContact O-CB 3.47Å; F366-E369 PolarHBondContact O-N 3.19Å; P367-E369 PolarHBondContact O-N 2.88Å
370K98.5Very high97.9Very high116 Ų11650.2 Ų50.250%0.50426%0.255SS..  trans-65.1146.6174.7-65.2174.3-176.9170.90111.5Y281 N285 P367 D372Y281-K370 VanDerWaalsContact CD2-O 3.3Å; Y281-K370 WeakPolarHBondContact CD2-O 3.49Å; Y281-K370 HydrophobicContact CE2-CB 4.13Å; Y281-K370 WeakPolarHBondContact CE2-O 3.2Å; N285-K370 PolarHBondContact ND2-O 3.04Å; P367-K370 WeakPolarHBondContact O-CG 3.48Å; P367-K370 PolarHBondContact O-N 2.81Å; K370-D372 WeakPolarHBondContact CB-OD1 3.43Å
371T98.5Very high97.7Very high59 Ų5950.8 Ų50.836%0.36226%0.259SS..  trans-114.434.4175.8610000112K284 N285 A288 K373 A374K284-T371 HydrophobicContact CD-CG2 4.07Å; K284-T371 HydrophobicContact CG-CG2 4.01Å; N285-T371 WeakPolarHBondContact OD1-CA 3.49Å; N285-T371 PolarHBondContact OD1-O 3.39Å; A288-T371 HydrophobicContact CB-CG2 3.63Å; T371-K373 VanDerWaalsContact C-N 3.3Å; T371-K373 PolarHBondContact O-N 2.61Å; T371-A374 WeakPolarHBondContact O-CB 3.42Å; T371-A374 PolarHBondContact O-N 2.91Å
372D97.9Very high97.4Very high96 Ų9653.3 Ų53.351%0.51329%0.287SS..THydrogen-bonded Turntrans-73.9-16.4-173.661.9-51.9000113.9Y281 N285 K370Y281-D372 VanDerWaalsContact CE2-OD1 3.3Å; Y281-D372 WeakPolarHBondContact CE2-OD1 3.37Å; Y281-D372 VanDerWaalsContact OH-CG 3.23Å; Y281-D372 PolarHBondContact OH-OD1 2.84Å; Y281-D372 PolarHBondContact OH-OD2 3.38Å; N285-D372 PolarHBondContact OD1-N 2.82Å; K370-D372 WeakPolarHBondContact CB-OD1 3.43Å
373K97.9Very high96.7Very high48 Ų4855 Ų5521%0.20929%0.292CS..THydrogen-bonded Turntrans-88-11.5172.6-61.5-79.7-177148.80112.6Y281 N285 F333 F334 T371 Q375 L376 L377Y281-K373 HydrophobicContact CE1-CG 4.19Å; Y281-K373 VanDerWaalsContact OH-CG 3.23Å; Y281-K373 WeakPolarHBondContact OH-CG 3.48Å; N285-K373 HydrophobicContact CB-CB 4.19Å; N285-K373 WeakPolarHBondContact OD1-CA 3.43Å; N285-K373 WeakPolarHBondContact OD1-CB 3.48Å; N285-K373 PolarHBondContact OD1-N 2.92Å; F333-K373 PolarHBondContact O-NZ 3.39Å; F334-K373 HydrophobicContact CE1-CB 4.11Å; F334-K373 HydrophobicContact CE1-CG 3.86Å; F334-K373 HydrophobicContact CZ-CB 3.95Å; F334-K373 HydrophobicContact CZ-CG 4.19Å; T371-K373 VanDerWaalsContact C-N 3.3Å; T371-K373 PolarHBondContact O-N 2.61Å; K373-Q375 PolarHBondContact O-N 3.24Å; K373-L376 HydrophobicContact CD-CD1 4.32Å; K373-L376 PolarHBondContact O-N 2.88Å; K373-L377 HydrophobicContact CB-CD1 4.47Å; K373-L377 WeakPolarHBondContact O-CG 3.29Å; K373-L377 PolarHBondContact O-N 3.09Å
374A98.1Very high95.2Very high11 Ų1165.2 Ų65.29%0.09134%0.337CS..Hα-helixtrans-57.5-46.5-171.800000113.3N285 A288 A289 T371 L377 R378N285-A374 PolarHBondContact OD1-N 3.15Å; A288-A374 HydrophobicContact CB-CB 3.91Å; A289-A374 HydrophobicContact CB-CB 4.12Å; A289-A374 WeakPolarHBondContact CB-O 3.19Å; T371-A374 WeakPolarHBondContact O-CB 3.42Å; T371-A374 PolarHBondContact O-N 2.91Å; A374-L377 PolarHBondContact O-N 2.94Å; A374-R378 WeakPolarHBondContact O-CB 3.39Å; A374-R378 PolarHBondContact O-N 3.17Å
375Q97.3Very high95.1Very high111 Ų11163.5 Ų63.552%0.51933%0.331SS..Hα-helixtrans-66.6-42.7179.3-17360.949.800112K373 L377 R378 D379K373-Q375 PolarHBondContact O-N 3.24Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.3Å; Q375-R378 PolarHBondContact O-N 2.81Å; Q375-D379 PolarHBondContact NE2-OD1 2.98Å; Q375-D379 PolarHBondContact NE2-OD2 3.32Å; Q375-D379 VanDerWaalsContact O-CG 3.28Å; Q375-D379 PolarHBondContact O-N 3.48Å
376L96.6Very high95.1Very high89 Ų8961.1 Ų61.147%0.46632%0.322SS..Hα-helixtrans-60-44.3177.3-68.4172000111.4F333 K373 D379 A380F333-L376 HydrophobicContact CD1-CB 4.45Å; F333-L376 HydrophobicContact CE1-CB 4.22Å; K373-L376 HydrophobicContact CD-CD1 4.32Å; K373-L376 PolarHBondContact O-N 2.88Å; L376-D379 PolarHBondContact O-N 3.38Å; L376-A380 WeakPolarHBondContact O-CB 3.37Å; L376-A380 PolarHBondContact O-N 2.84Å
377L97.8Very high94.9Very high1 Ų164.2 Ų64.21%0.00534%0.338CS..Hα-helixtrans-62.1-43.7175.6-71.2177.2000111.8N285 I286 A289 L291 L329 F333 F334 K373 A374 Q375 A381N285-L377 HydrophobicContact CB-CD1 3.9Å; I286-L377 HydrophobicContact CG1-CD1 4.32Å; A289-L377 HydrophobicContact CB-CB 4.11Å; L291-L377 HydrophobicContact CD1-CB 4.15Å; L329-L377 HydrophobicContact CB-CD2 4.04Å; F333-L377 HydrophobicContact CB-CD2 4.11Å; F333-L377 HydrophobicContact CD2-CD2 3.89Å; F333-L377 HydrophobicContact CG-CD2 4.09Å; F334-L377 HydrophobicContact CE2-CD1 4.06Å; F334-L377 HydrophobicContact CE2-CD2 3.99Å; F334-L377 HydrophobicContact CE2-CG 4.47Å; F334-L377 HydrophobicContact CZ-CD1 3.94Å; K373-L377 HydrophobicContact CB-CD1 4.47Å; K373-L377 WeakPolarHBondContact O-CG 3.29Å; K373-L377 PolarHBondContact O-N 3.09Å; A374-L377 PolarHBondContact O-N 2.94Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.3Å; L377-A381 WeakPolarHBondContact O-CB 3.3Å; L377-A381 PolarHBondContact O-N 3.34Å
378R97Very high94.6Very high90 Ų9066.6 Ų66.634%0.3435%0.349SS..Hα-helixtrans-61.6-45.1178.2-176.2175.2177.7149.5-4.5112.1A289 A374 Q375 A381 G382 L383 K384A289-R378 HydrophobicContact CB-CB 4.3Å; A374-R378 WeakPolarHBondContact O-CB 3.39Å; A374-R378 PolarHBondContact O-N 3.17Å; Q375-R378 PolarHBondContact O-N 2.81Å; R378-A381 PolarHBondContact O-N 3.3Å; R378-G382 PolarHBondContact O-N 2.99Å; R378-L383 HydrophobicContact CG-CB 3.99Å; R378-L383 WeakPolarHBondContact CG-O 3.34Å; R378-L383 PolarHBondContact NE-O 2.82Å; R378-L383 VanDerWaalsContact NE-O 3.11Å; R378-L383 PolarHBondContact O-N 2.82Å; R378-K384 PolarHBondContact NH2-OXT 3.26Å
379D96.4Very high94.4Very high100 Ų10070.8 Ų70.854%0.53537%0.371SS..Hα-helixtrans-65.2-46.5179.3-67.9-19.9000111.2Q375 L376 A381 G382Q375-D379 PolarHBondContact NE2-OD1 2.98Å; Q375-D379 PolarHBondContact NE2-OD2 3.32Å; Q375-D379 VanDerWaalsContact O-CG 3.28Å; Q375-D379 PolarHBondContact O-N 3.48Å; L376-D379 PolarHBondContact O-N 3.38Å; D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.16Å; D379-G382 PolarHBondContact O-N 2.98Å; D379-G382 VanDerWaalsContact O-N 3.1Å
380A96.4Very high94.1Very high44 Ų4475.5 Ų75.536%0.36440%0.396SS..Hα-helixtrans-65.3-29.3176.800000112.7L329 F333 L376 G382L329-A380 HydrophobicContact CD2-CB 3.55Å; F333-A380 HydrophobicContact CE2-CB 3.69Å; F333-A380 HydrophobicContact CZ-CB 3.72Å; L376-A380 WeakPolarHBondContact O-CB 3.37Å; L376-A380 PolarHBondContact O-N 2.84Å; A380-G382 VanDerWaalsContact C-N 3.3Å
381A95.4Very high93.8Very high11 Ų1172.6 Ų72.69%0.09139%0.388CS..Hα-helixtrans-76.1-15.4175.100000113.6L291 V321 L329 L377 R378 D379 L383L291-A381 HydrophobicContact CD1-CB 4.42Å; L291-A381 HydrophobicContact CD2-CB 3.47Å; L291-A381 VanDerWaalsContact CD2-CB 3.47Å; V321-A381 HydrophobicContact CG1-CB 4.14Å; L329-A381 HydrophobicContact CD1-CB 3.94Å; L377-A381 WeakPolarHBondContact O-CB 3.3Å; L377-A381 PolarHBondContact O-N 3.34Å; R378-A381 PolarHBondContact O-N 3.3Å; D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.16Å; A381-L383 VanDerWaalsContact C-N 3.34Å
382G92.8Very high93.4Very high58 Ų5873.7 Ų73.760%0.59839%0.39SS*.THydrogen-bonded Turntrans76.915.6-178.500000114.8R378 D379 A380 K384R378-G382 PolarHBondContact O-N 2.99Å; D379-G382 PolarHBondContact O-N 2.98Å; D379-G382 VanDerWaalsContact O-N 3.1Å; A380-G382 VanDerWaalsContact C-N 3.3Å; G382-K384 PolarHBondContact O-N 3Å
383L83Confident93Very high50 Ų5071.8 Ų71.826%0.26238%0.38SS..  trans-81.498.2177.2-87.8161.3000110.4L291 K320 V321 R378 A381L291-L383 HydrophobicContact CD2-CD1 3.35Å; K320-L383 HydrophobicContact CB-CD1 4.37Å; K320-L383 HydrophobicContact CB-CD2 4.43Å; V321-L383 HydrophobicContact CG1-CD1 3.53Å; V321-L383 HydrophobicContact CG1-CG 3.87Å; R378-L383 HydrophobicContact CG-CB 3.99Å; R378-L383 WeakPolarHBondContact CG-O 3.34Å; R378-L383 PolarHBondContact NE-O 2.82Å; R378-L383 VanDerWaalsContact NE-O 3.11Å; R378-L383 PolarHBondContact O-N 2.82Å; A381-L383 VanDerWaalsContact C-N 3.34Å
384K68Low92.6Very high249 Ų24974 Ų74100%1.08340%0.396SS*.  trans-760173.6-67-175.3178.9179.90110.8R378 G382R378-K384 PolarHBondContact NH2-OXT 3.26Å; G382-K384 PolarHBondContact O-N 3Å

Retrieved 384 of 384 residues in 188.9 ms (Link to these results)

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