A0A077ZM24_TRITR Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB (Q32C11), UniProt , Accession A0A077ZM24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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 602.7 ms (Link to these results)

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