A0A077ZGQ1_TRITR Loading...

S-adenosylmethionine synthase

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

AlphaFold DB , UniProt , Accession A0A077ZGQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.2Very low86.6Confident242 Ų24293.5 Ų93.5100%1.19246%0.458SS*.  0120.80-64.7179.5-155.100105.1
2S64.5Low87.7Confident85 Ų8586.2 Ų86.259%0.59442%0.423SS*.PPolyproline II helixtrans-64.2142167610000107.6E186S2-E186 WeakPolarHBondContact CB-OE1 3.48Å; S2-E186 PolarHBondContact OG-OE1 2.78Å
3E75.7Confident88.5Confident181 Ų18179.7 Ų79.785%0.84639%0.391SS*.PPolyproline II helixtrans-64138.9174.2-69.2-161.3144.800108.9K5E3-K5 PolarHBondContact O-N 3.13Å
4R83.1Confident89.2Confident138 Ų13874.8 Ų74.852%0.52137%0.367SS..PPolyproline II helixtrans-62.3124.7177.6-68.3-175.8-70.31534.5108.8L6 E183 D194R4-L6 HydrophobicContact CB-CD2 4.38Å; R4-L6 HydrophobicContact CB-CG 4.34Å; R4-L6 PolarHBondContact O-N 3.11Å; R4-E183 WeakPolarHBondContact CD-OE1 3.48Å; R4-E183 IonicContact NH1-OE2 2.76Å; R4-D194 IonicContact CZ-OD1 2.74Å; R4-D194 IonicContact NH1-OD1 3.48Å; R4-D194 PolarHBondContact NH1-OD1 2.73Å
5K94.1Very high89.8Confident77 Ų7769.8 Ų69.834%0.33534%0.342SS..EExtended strand (participates in β ladder)trans-75.3104.9171.7-66.2-177.5-178.6175.60108.6E3 E183 Y184 D185 E186 D188E3-K5 PolarHBondContact O-N 3.13Å; K5-E183 WeakPolarHBondContact O-CA 3.34Å; K5-Y184 PolarHBondContact O-N 3.33Å; K5-D185 PolarHBondContact NZ-O 3.33Å; K5-E186 PolarHBondContact NZ-O 2.84Å; K5-D188 IonicContact NZ-OD1 3.23Å; K5-D188 PolarHBondContact NZ-OD1 2.8Å
6L97.3Very high90.4Very high76 Ų7666.1 Ų66.140%0.39832%0.324SS..EExtended strand (participates in β ladder)trans-108133.8177.7-61.5-179.6000109.7R4 T181 V182 E183 D194R4-L6 HydrophobicContact CB-CD2 4.38Å; R4-L6 HydrophobicContact CB-CG 4.34Å; R4-L6 PolarHBondContact O-N 3.11Å; L6-T181 HydrophobicContact CB-CG2 3.95Å; L6-T181 HydrophobicContact CD1-CG2 4.43Å; L6-T181 HydrophobicContact CD2-CG2 4.35Å; L6-T181 HydrophobicContact CG-CG2 4.47Å; L6-V182 WeakPolarHBondContact CA-O 3.34Å; L6-E183 HydrophobicContact CD2-CB 3.81Å; L6-E183 HydrophobicContact CD2-CG 4.11Å; L6-D194 HydrophobicContact CD2-CB 4Å
7F98.1Very high90.8Very high64 Ų6462.2 Ų62.228%0.28131%0.305SS..EExtended strand (participates in β ladder)trans-127.8138.6172.4-166.5-82.6000110.4P149 T181 V182 Y184 G266 Y267F7-P149 HydrophobicContact CD1-CB 4.38Å; F7-P149 HydrophobicContact CD1-CG 4Å; F7-T181 CarbonylContact O-C 3.56Å; F7-T181 WeakPolarHBondContact O-CA 2.94Å; F7-V182 PolarHBondContact N-O 2.97Å; F7-V182 PolarHBondContact O-N 3.06Å; F7-Y184 HydrophobicContact CB-CD2 4.11Å; F7-Y184 HydrophobicContact CB-CE2 3.77Å; F7-G266 WeakPolarHBondContact CZ-O 3.46Å; F7-Y267 AromaticContact CD1-CD2 3.93Å; F7-Y267 HydrophobicContact CD1-CD2 3.93Å; F7-Y267 AromaticContact CE1-CD2 3.8Å; F7-Y267 HydrophobicContact CE1-CD2 3.8Å; F7-Y267 HydrophobicContact CE1-CG 4.4Å; F7-Y267 HydrophobicContact CE2-CD2 4.47Å; F7-Y267 HydrophobicContact CG-CD2 4.34Å; F7-Y267 HydrophobicContact CZ-CD2 4.11Å; F7-Y267 HydrophobicContact CZ-CG 4.41Å
8T98.6Very high91.3Very high60 Ų6059.4 Ų59.437%0.36829%0.292SS..EExtended strand (participates in β ladder)trans-124.9133.7-173.8-55.10000111.1Q179 V180 T181T8-Q179 HydrophobicContact CG2-CG 3.37Å; T8-V180 WeakPolarHBondContact CA-O 3.37Å; T8-T181 WeakPolarHBondContact CG2-OG1 3.48Å; T8-T181 WeakPolarHBondContact OG1-CG2 3.47Å; T8-T181 PolarHBondContact OG1-OG1 3.26Å
9S98.8Very high91.6Very high4 Ų456.4 Ų56.43%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-130157.2167.1-58.90000110.6S153 Q179 V180 G265S9-S153 PolarHBondContact O-OG 3.34Å; S9-Q179 WeakPolarHBondContact O-CA 3.46Å; S9-V180 PolarHBondContact N-O 2.87Å; S9-V180 VanDerWaalsContact N-O 3.07Å; S9-V180 PolarHBondContact O-N 3.06Å; S9-G265 WeakPolarHBondContact CB-O 3.37Å; S9-G265 PolarHBondContact OG-O 3.04Å
10E98.8Very high92Very high101 Ų10153.6 Ų53.647%0.47226%0.263SS..EExtended strand (participates in β ladder)trans-129.6161.6-179.862.6175.4-155.200112I150 S178 Q179E10-I150 VanDerWaalsContact O-CD1 3.25Å; E10-I150 WeakPolarHBondContact O-CD1 3.43Å; E10-S178 CarbonylContact C-O 3.58Å; E10-S178 WeakPolarHBondContact CA-O 3.43Å; E10-S178 VanDerWaalsContact CB-O 3.25Å; E10-S178 WeakPolarHBondContact CB-O 3.39Å; E10-Q179 HydrophobicContact CB-CB 4.19Å; E10-Q179 HydrophobicContact CB-CG 4.21Å
11S98.8Very high92.3Very high1 Ų151 Ų511%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-145.8163.7172.7-1740000110.2H154 V157 K177 S178S11-H154 WeakPolarHBondContact CB-ND1 3.18Å; S11-H154 PolarHBondContact OG-ND1 2.93Å; S11-V157 WeakPolarHBondContact OG-CG2 3.32Å; S11-K177 WeakPolarHBondContact O-CA 3.48Å; S11-S178 PolarHBondContact N-O 3.3Å; S11-S178 PolarHBondContact O-N 3.22Å
12V98.8Very high94.9Very high5 Ų539.5 Ų39.53%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-130.1153.3176.4-59.50000110.2H16 K19 A176 K177 K258V12-H16 HydrophobicContact CB-CB 3.7Å; V12-H16 HydrophobicContact CG2-CB 3.77Å; V12-K19 HydrophobicContact CG2-CD 4.49Å; V12-K19 HydrophobicContact CG2-CG 3.5Å; V12-K19 VanDerWaalsContact CG2-CG 3.5Å; V12-A176 CarbonylContact C-O 3.5Å; V12-A176 WeakPolarHBondContact CA-O 3.42Å; V12-K177 HydrophobicContact CG1-CB 4.47Å; V12-K177 HydrophobicContact CG1-CG 4.11Å; V12-K258 HydrophobicContact CG1-CD 4.49Å; V12-K258 HydrophobicContact CG2-CD 4Å; V12-K258 HydrophobicContact CG2-CG 4.28Å
13S98.6Very high96.5Very high2 Ų236.2 Ų36.21%0.01417%0.169CC..  trans-72.7168.2177.969.60000111.8G15 H16 K19 P174 A176S13-G15 PolarHBondContact O-N 3.26Å; S13-G15 VanDerWaalsContact O-N 3.08Å; S13-G15 PolarHBondContact OG-N 2.63Å; S13-H16 WeakPolarHBondContact O-CB 3.46Å; S13-H16 PolarHBondContact O-N 3.48Å; S13-H16 VanDerWaalsContact O-N 3.13Å; S13-K19 WeakPolarHBondContact O-CB 3.43Å; S13-P174 PolarHBondContact OG-O 2.85Å; S13-A176 PolarHBondContact N-O 2.86Å; S13-A176 PolarHBondContact OG-N 3.47Å
14E98.6Very high97.6Very high11 Ų1127.6 Ų27.65%0.05113%0.129CC..THydrogen-bonded Turntrans-54.7-19.6167.264-177.6-139.500114.1Q23 I77 R164 K165 A369 Y370E14-Q23 PolarHBondContact O-NE2 3.21Å; E14-I77 HydrophobicContact CG-CG2 4.29Å; E14-I77 WeakPolarHBondContact O-CG2 3.02Å; E14-R164 IonicContact OE1-CZ 2.79Å; E14-R164 IonicContact OE1-NH2 2.66Å; E14-R164 PolarHBondContact OE1-NH2 2.74Å; E14-K165 WeakPolarHBondContact OE1-CE 3.47Å; E14-K165 IonicContact OE1-NZ 3.68Å; E14-K165 PolarHBondContact OE1-NZ 3.27Å; E14-K165 IonicContact OE2-NZ 2.86Å; E14-K165 PolarHBondContact OE2-NZ 2.84Å; E14-A369 HydrophobicContact CB-CB 4.1Å; E14-Y370 HydrophobicContact CB-CE2 4.39Å; E14-Y370 WeakPolarHBondContact CB-OH 3.24Å; E14-Y370 WeakPolarHBondContact CG-OH 3.48Å; E14-Y370 PolarHBondContact OE2-OH 3.31Å
15G98.2Very high98.4Very high0 Ų021 Ų210%010%0.104CC..THydrogen-bonded Turntrans-89.9-5.2-179.400000114.5S13 Y79 P174S13-G15 PolarHBondContact O-N 3.26Å; S13-G15 VanDerWaalsContact O-N 3.08Å; S13-G15 PolarHBondContact OG-N 2.63Å; G15-Y79 WeakPolarHBondContact O-CE2 3.4Å; G15-Y79 PolarHBondContact O-OH 2.81Å; G15-P174 WeakPolarHBondContact CA-O 3.35Å
16H98.5Very high98.6Very high10 Ų1017.3 Ų17.35%0.0469%0.088CC..SBendtrans-66.9137.2174-176.7-76.7000110.1V12 S13 D18 K19 I20 D175 K258V12-H16 HydrophobicContact CB-CB 3.7Å; V12-H16 HydrophobicContact CG2-CB 3.77Å; S13-H16 WeakPolarHBondContact O-CB 3.46Å; S13-H16 PolarHBondContact O-N 3.48Å; S13-H16 VanDerWaalsContact O-N 3.13Å; H16-D18 IonicContact CE1-OD2 2.87Å; H16-D18 PolarHBondContact CE1-OD2 2.73Å; H16-D18 VanDerWaalsContact CE1-OD2 3.23Å; H16-D18 PolarHBondContact ND1-N 3.04Å; H16-D18 VanDerWaalsContact ND1-N 3.2Å; H16-D18 IonicContact ND1-OD2 2.9Å; H16-D18 PolarHBondContact O-N 3.1Å; H16-K19 HydrophobicContact CB-CB 4.28Å; H16-K19 HydrophobicContact CB-CG 4.48Å; H16-K19 CarbonylContact O-C 3.45Å; H16-K19 WeakPolarHBondContact O-CA 3.46Å; H16-K19 WeakPolarHBondContact O-CB 3.45Å; H16-K19 PolarHBondContact O-N 2.87Å; H16-I20 WeakPolarHBondContact O-CG1 3.23Å; H16-I20 PolarHBondContact O-N 2.84Å; H16-D175 IonicContact CD2-OD1 3.86Å; H16-K258 VanDerWaalsContact CE1-CE 3.49Å; H16-K258 WeakPolarHBondContact CE1-CE 3.46Å
17P98.1Very high98.7Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-57-44-171.820.4-32000113.8K19 I20 A21 V47 P248 D251P17-K19 VanDerWaalsContact C-N 3.25Å; P17-K19 PolarHBondContact O-N 3.2Å; P17-I20 WeakPolarHBondContact O-CB 3.19Å; P17-I20 PolarHBondContact O-N 3.47Å; P17-A21 PolarHBondContact O-N 3.3Å; P17-A21 VanDerWaalsContact O-N 3.08Å; P17-V47 HydrophobicContact CB-CG2 3.95Å; P17-V47 WeakPolarHBondContact O-CG2 3.45Å; P17-P248 HydrophobicContact CB-CG 4.18Å; P17-D251 WeakPolarHBondContact CB-O 3.29Å; P17-D251 HydrophobicContact CG-CB 4Å; P17-D251 WeakPolarHBondContact CG-O 3.49Å
18D98.8Very high98.7Very high13 Ų1311 Ų117%0.076%0.059CC..Hα-helixtrans-59-36.1172.7-66.1-42.9000112.9H16 A21 D22 G253 L254 R257 K258H16-D18 IonicContact CE1-OD2 2.87Å; H16-D18 PolarHBondContact CE1-OD2 2.73Å; H16-D18 VanDerWaalsContact CE1-OD2 3.23Å; H16-D18 PolarHBondContact ND1-N 3.04Å; H16-D18 VanDerWaalsContact ND1-N 3.2Å; H16-D18 IonicContact ND1-OD2 2.9Å; H16-D18 PolarHBondContact O-N 3.1Å; D18-A21 WeakPolarHBondContact O-CB 3.23Å; D18-A21 PolarHBondContact O-N 3.04Å; D18-D22 PolarHBondContact O-N 3.08Å; D18-G253 WeakPolarHBondContact OD1-CA 3.38Å; D18-L254 PolarHBondContact OD1-N 2.86Å; D18-R257 HydrophobicContact CB-CB 4.21Å; D18-R257 WeakPolarHBondContact OD1-CB 3.34Å; D18-K258 HydrophobicContact CB-CG 3.73Å; D18-K258 WeakPolarHBondContact OD2-CE 3.49Å; D18-K258 IonicContact OD2-NZ 2.73Å; D18-K258 PolarHBondContact OD2-NZ 2.88Å
19K98.8Very high98.7Very high1 Ų18.2 Ų8.20%0.0044%0.041CC..Hα-helixtrans-77.1-25.4177.3-72.8-43.3-156.4170.40114V12 S13 H16 P17 A21 D22 Q23 K258 D262 A368V12-K19 HydrophobicContact CG2-CD 4.49Å; V12-K19 HydrophobicContact CG2-CG 3.5Å; V12-K19 VanDerWaalsContact CG2-CG 3.5Å; S13-K19 WeakPolarHBondContact O-CB 3.43Å; H16-K19 HydrophobicContact CB-CB 4.28Å; H16-K19 HydrophobicContact CB-CG 4.48Å; H16-K19 CarbonylContact O-C 3.45Å; H16-K19 WeakPolarHBondContact O-CA 3.46Å; H16-K19 WeakPolarHBondContact O-CB 3.45Å; H16-K19 PolarHBondContact O-N 2.87Å; P17-K19 VanDerWaalsContact C-N 3.25Å; P17-K19 PolarHBondContact O-N 3.2Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-D22 HydrophobicContact CD-CB 4.27Å; K19-D22 WeakPolarHBondContact CD-OD2 3.44Å; K19-D22 IonicContact NZ-OD2 3.16Å; K19-D22 PolarHBondContact NZ-OD2 3.23Å; K19-Q23 WeakPolarHBondContact O-CB 3.42Å; K19-Q23 VanDerWaalsContact O-CG 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.36Å; K19-Q23 PolarHBondContact O-N 3.23Å; K19-Q23 PolarHBondContact O-NE2 3.22Å; K19-K258 HydrophobicContact CD-CB 4.19Å; K19-K258 HydrophobicContact CD-CG 4.34Å; K19-D262 VanDerWaalsContact CE-OD1 3.25Å; K19-D262 WeakPolarHBondContact CE-OD1 3.27Å; K19-D262 IonicContact NZ-OD1 3.94Å; K19-D262 PolarHBondContact NZ-OD1 3.38Å; K19-D262 IonicContact NZ-OD2 2.7Å; K19-D262 PolarHBondContact NZ-OD2 3.29Å; K19-A368 VanDerWaalsContact CD-O 3.23Å; K19-A368 WeakPolarHBondContact CD-O 3.23Å; K19-A368 VanDerWaalsContact CE-O 3.29Å; K19-A368 WeakPolarHBondContact CE-O 3.36Å; K19-A368 PolarHBondContact NZ-O 3.34Å
20I98.6Very high98.7Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-63.7-44.9167.4-59.6169.6000109.2H16 P17 Q23 I24 V47 I74 I77 Y79 P248H16-I20 WeakPolarHBondContact O-CG1 3.23Å; H16-I20 PolarHBondContact O-N 2.84Å; P17-I20 WeakPolarHBondContact O-CB 3.19Å; P17-I20 PolarHBondContact O-N 3.47Å; I20-Q23 PolarHBondContact O-N 3.27Å; I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.32Å; I20-I24 WeakPolarHBondContact O-CG1 3.47Å; I20-I24 PolarHBondContact O-N 2.97Å; I20-V47 HydrophobicContact CG2-CG1 4.15Å; I20-I74 HydrophobicContact CG2-CG1 4.38Å; I20-I77 HydrophobicContact CB-CD1 4.3Å; I20-I77 HydrophobicContact CG1-CD1 4.04Å; I20-I77 HydrophobicContact CG2-CD1 4.16Å; I20-Y79 HydrophobicContact CD1-CD2 3.86Å; I20-Y79 HydrophobicContact CD1-CE2 3.34Å; I20-Y79 HydrophobicContact CG1-CE2 4.18Å; I20-P248 HydrophobicContact CD1-CG 3.64Å
21A98.8Very high98.7Very high0 Ų05.5 Ų5.50%03%0.033CC..Hα-helixtrans-60.5-49.9177.500000112P17 D18 K19 Q23 I24 S25 T45 V47P17-A21 PolarHBondContact O-N 3.3Å; P17-A21 VanDerWaalsContact O-N 3.08Å; D18-A21 WeakPolarHBondContact O-CB 3.23Å; D18-A21 PolarHBondContact O-N 3.04Å; K19-A21 VanDerWaalsContact C-N 3.33Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; A21-Q23 PolarHBondContact O-N 3.43Å; A21-I24 PolarHBondContact O-N 2.69Å; A21-S25 PolarHBondContact O-N 3.26Å; A21-S25 PolarHBondContact O-OG 2.85Å; A21-T45 HydrophobicContact CB-CG2 4.14Å; A21-T45 WeakPolarHBondContact CB-O 3.39Å; A21-V47 HydrophobicContact CB-CG1 4.35Å; A21-V47 HydrophobicContact CB-CG2 4.48Å
22D98.9Very high98.7Very high1 Ų15.5 Ų5.51%0.0053%0.033CC..Hα-helixtrans-55.8-46.1175.7-72.3-29000112.2D18 K19 I24 S25 D26 T255 G256 S276 A368D18-D22 PolarHBondContact O-N 3.08Å; K19-D22 HydrophobicContact CD-CB 4.27Å; K19-D22 WeakPolarHBondContact CD-OD2 3.44Å; K19-D22 IonicContact NZ-OD2 3.16Å; K19-D22 PolarHBondContact NZ-OD2 3.23Å; D22-I24 PolarHBondContact O-N 3.06Å; D22-S25 PolarHBondContact O-N 3.21Å; D22-D26 PolarHBondContact O-N 2.8Å; D22-T255 WeakPolarHBondContact OD1-CA 3.4Å; D22-G256 PolarHBondContact OD1-N 2.76Å; D22-S276 WeakPolarHBondContact CB-OG 3.4Å; D22-S276 WeakPolarHBondContact O-CB 3.48Å; D22-A368 HydrophobicContact CB-CB 4.12Å
23Q98.9Very high98.7Very high15 Ų155.5 Ų5.57%0.073%0.033CC..Hα-helixtrans-65.7-37.4179.9-78.1169.795.700113E14 K19 I20 A21 A27 T73 I77 A368E14-Q23 PolarHBondContact O-NE2 3.21Å; K19-Q23 WeakPolarHBondContact O-CB 3.42Å; K19-Q23 VanDerWaalsContact O-CG 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.36Å; K19-Q23 PolarHBondContact O-N 3.23Å; K19-Q23 PolarHBondContact O-NE2 3.22Å; I20-Q23 PolarHBondContact O-N 3.27Å; A21-Q23 VanDerWaalsContact C-N 3.34Å; A21-Q23 PolarHBondContact O-N 3.43Å; Q23-A27 WeakPolarHBondContact O-CB 3.24Å; Q23-A27 PolarHBondContact O-N 2.74Å; Q23-T73 HydrophobicContact CB-CG2 4.01Å; Q23-I77 HydrophobicContact CB-CD1 4.33Å; Q23-A368 HydrophobicContact CB-CB 4.21Å; Q23-A368 HydrophobicContact CG-CB 3.61Å
24I98.9Very high98.6Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-66.3-46.3175.5-72.1168.2000110I20 A21 D22 D26 A27 I28 T45 V47 V52 V54 V70 T73 I74I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.32Å; I20-I24 WeakPolarHBondContact O-CG1 3.47Å; I20-I24 PolarHBondContact O-N 2.97Å; A21-I24 PolarHBondContact O-N 2.69Å; D22-I24 PolarHBondContact O-N 3.06Å; I24-D26 VanDerWaalsContact C-N 3.33Å; I24-D26 PolarHBondContact O-N 3.42Å; I24-A27 PolarHBondContact O-N 2.85Å; I24-I28 HydrophobicContact CG2-CD1 3.98Å; I24-I28 WeakPolarHBondContact O-CG1 3.24Å; I24-I28 PolarHBondContact O-N 2.87Å; I24-T45 HydrophobicContact CB-CG2 4.03Å; I24-T45 HydrophobicContact CD1-CG2 4.13Å; I24-T45 HydrophobicContact CG2-CG2 3.83Å; I24-T45 WeakPolarHBondContact CG2-OG1 3.42Å; I24-V47 HydrophobicContact CD1-CG1 4.23Å; I24-V52 HydrophobicContact CD1-CG1 4.03Å; I24-V52 HydrophobicContact CD1-CG2 4.4Å; I24-V54 HydrophobicContact CG2-CG2 4.13Å; I24-V70 HydrophobicContact CD1-CG1 4.2Å; I24-V70 HydrophobicContact CG2-CG2 3.71Å; I24-T73 HydrophobicContact CG1-CG2 3.76Å; I24-I74 HydrophobicContact CD1-CD1 4.43Å; I24-I74 HydrophobicContact CD1-CG1 4.23Å
25S98.9Very high98.6Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-58.7-43.6177.9-80.10000112.1A21 D22 I28 L29 A43 T45 T255A21-S25 PolarHBondContact O-N 3.26Å; A21-S25 PolarHBondContact O-OG 2.85Å; D22-S25 PolarHBondContact O-N 3.21Å; S25-I28 PolarHBondContact O-N 3.05Å; S25-L29 PolarHBondContact O-N 3.01Å; S25-L29 VanDerWaalsContact O-N 3.11Å; S25-A43 WeakPolarHBondContact CB-O 3.39Å; S25-A43 PolarHBondContact OG-O 2.77Å; S25-T45 PolarHBondContact OG-N 3.26Å; S25-T45 PolarHBondContact OG-OG1 3Å; S25-T255 PolarHBondContact OG-OG1 2.95Å; S25-T255 VanDerWaalsContact OG-OG1 3.05Å
26D98.9Very high98.6Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-75.6-27.2175.7-78.9-27.7000114.3D22 I24 I28 L29 D30 S276 G277 R285 R365 A368D22-D26 PolarHBondContact O-N 2.8Å; I24-D26 VanDerWaalsContact C-N 3.33Å; I24-D26 PolarHBondContact O-N 3.42Å; D26-I28 VanDerWaalsContact C-N 3.33Å; D26-L29 PolarHBondContact O-N 3.12Å; D26-D30 WeakPolarHBondContact O-CB 3.46Å; D26-D30 PolarHBondContact O-N 3.08Å; D26-S276 WeakPolarHBondContact OD1-CA 3.2Å; D26-S276 WeakPolarHBondContact OD2-CA 3.5Å; D26-S276 VanDerWaalsContact OD2-CB 3.27Å; D26-S276 WeakPolarHBondContact OD2-CB 3.32Å; D26-S276 PolarHBondContact OD2-OG 2.95Å; D26-G277 PolarHBondContact OD1-N 3.48Å; D26-R285 IonicContact OD1-CZ 3.71Å; D26-R285 IonicContact OD1-NH1 3.42Å; D26-R285 IonicContact OD1-NH2 2.71Å; D26-R285 PolarHBondContact OD1-NH2 2.82Å; D26-R285 IonicContact OD2-NH2 3.88Å; D26-R365 HydrophobicContact CB-CB 4.34Å; D26-A368 HydrophobicContact CB-CB 4.29Å
27A98.8Very high98.6Very high8 Ų820 Ų207%0.06611%0.107CC..Hα-helixtrans-65.6-38.2171.900000111.7Q23 I24 A31 I69 T73 R365Q23-A27 WeakPolarHBondContact O-CB 3.24Å; Q23-A27 PolarHBondContact O-N 2.74Å; I24-A27 PolarHBondContact O-N 2.85Å; A27-A31 WeakPolarHBondContact O-CB 3.4Å; A27-A31 PolarHBondContact O-N 3.17Å; A27-I69 HydrophobicContact CB-CG2 3.62Å; A27-T73 WeakPolarHBondContact CB-OG1 3.4Å; A27-R365 HydrophobicContact CB-CG 4.24Å
28I98.7Very high98.4Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-65.1-46.8173.2-67.7162.2000110.1I24 S25 D26 D30 A31 V32 A43 V54 I58 I66 I69I24-I28 HydrophobicContact CG2-CD1 3.98Å; I24-I28 WeakPolarHBondContact O-CG1 3.24Å; I24-I28 PolarHBondContact O-N 2.87Å; S25-I28 PolarHBondContact O-N 3.05Å; D26-I28 VanDerWaalsContact C-N 3.33Å; I28-D30 PolarHBondContact O-N 3.38Å; I28-A31 PolarHBondContact O-N 3.36Å; I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.46Å; I28-V32 PolarHBondContact O-N 3.17Å; I28-A43 HydrophobicContact CG2-CB 4.2Å; I28-V54 HydrophobicContact CD1-CB 4.41Å; I28-V54 HydrophobicContact CD1-CG1 3.45Å; I28-V54 VanDerWaalsContact CD1-CG1 3.45Å; I28-V54 HydrophobicContact CD1-CG2 4.05Å; I28-I58 HydrophobicContact CG2-CD1 3.81Å; I28-I66 HydrophobicContact CD1-CG2 4.33Å; I28-I69 HydrophobicContact CG1-CG2 3.98Å
29L98.7Very high98.2Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-56.4-51.3176.6173.567.5000111.9S25 D26 A31 V32 L33 V41 K278 D279 Y364S25-L29 PolarHBondContact O-N 3.01Å; S25-L29 VanDerWaalsContact O-N 3.11Å; D26-L29 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.42Å; L29-L33 HydrophobicContact CD1-CD1 3.71Å; L29-L33 HydrophobicContact CD1-CG 3.89Å; L29-L33 HydrophobicContact CD2-CD1 4.49Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CG 3.45Å; L29-L33 PolarHBondContact O-N 3.13Å; L29-V41 HydrophobicContact CB-CG1 4.35Å; L29-V41 HydrophobicContact CD1-CB 3.65Å; L29-V41 HydrophobicContact CD1-CG1 3.96Å; L29-V41 HydrophobicContact CD1-CG2 3.73Å; L29-K278 WeakPolarHBondContact CD2-O 3.41Å; L29-D279 HydrophobicContact CD1-CB 4.02Å; L29-Y364 HydrophobicContact CD2-CD2 3.49Å; L29-Y364 VanDerWaalsContact CD2-CD2 3.49Å; L29-Y364 HydrophobicContact CD2-CE2 4.1Å; L29-Y364 HydrophobicContact CD2-CG 3.77Å; L29-Y364 HydrophobicContact CG-CD2 4.04Å
30D98.7Very high98Very high23 Ų2326.1 Ų26.112%0.12314%0.139CC..Hα-helixtrans-60.4-43.1179.9-78-12000110.9D26 I28 V32 L33 E34 P362 I363 Y364 R365D26-D30 WeakPolarHBondContact O-CB 3.46Å; D26-D30 PolarHBondContact O-N 3.08Å; I28-D30 PolarHBondContact O-N 3.38Å; D30-V32 VanDerWaalsContact C-N 3.28Å; D30-V32 PolarHBondContact O-N 3.47Å; D30-L33 PolarHBondContact O-N 3.47Å; D30-E34 WeakPolarHBondContact O-CB 3.32Å; D30-E34 PolarHBondContact O-N 2.86Å; D30-P362 HydrophobicContact CB-CB 3.74Å; D30-P362 WeakPolarHBondContact O-CB 3.33Å; D30-P362 VanDerWaalsContact OD1-C 3.23Å; D30-P362 VanDerWaalsContact OD1-CA 3.25Å; D30-P362 WeakPolarHBondContact OD1-CA 3.37Å; D30-I363 PolarHBondContact OD1-N 2.99Å; D30-I363 VanDerWaalsContact OD1-N 3.14Å; D30-Y364 WeakPolarHBondContact OD1-CB 3.18Å; D30-Y364 WeakPolarHBondContact OD1-CD2 3.42Å; D30-Y364 PolarHBondContact OD1-N 3.02Å; D30-Y364 PolarHBondContact OD2-N 3.48Å; D30-R365 WeakPolarHBondContact OD2-CB 3.47Å; D30-R365 PolarHBondContact OD2-N 3.42Å
31A98.5Very high98Very high26 Ų2626.1 Ų26.122%0.21514%0.139CC..Hα-helixtrans-64-32178.200000113.6A27 I28 L29 Q35 V64 I69A27-A31 WeakPolarHBondContact O-CB 3.4Å; A27-A31 PolarHBondContact O-N 3.17Å; I28-A31 PolarHBondContact O-N 3.36Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.37Å; A31-Q35 PolarHBondContact O-NE2 2.8Å; A31-V64 HydrophobicContact CB-CG1 3.85Å; A31-I69 HydrophobicContact CB-CD1 3.5Å; A31-I69 HydrophobicContact CB-CG1 4.39Å
32V98.5Very high97.9Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-72.3-50.2173.7170.80000110.2I28 L29 D30 E34 Q35 D36 A39 V41 I58 T60 A62 V64I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.46Å; I28-V32 PolarHBondContact O-N 3.17Å; L29-V32 PolarHBondContact O-N 3.42Å; D30-V32 VanDerWaalsContact C-N 3.28Å; D30-V32 PolarHBondContact O-N 3.47Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 3.02Å; V32-Q35 PolarHBondContact O-N 3.13Å; V32-D36 PolarHBondContact O-N 2.98Å; V32-A39 HydrophobicContact CG1-CB 3.32Å; V32-V41 HydrophobicContact CB-CG2 4.23Å; V32-V41 HydrophobicContact CG1-CG2 3.81Å; V32-I58 HydrophobicContact CG2-CG2 4.41Å; V32-T60 HydrophobicContact CG1-CG2 4.07Å; V32-A62 HydrophobicContact CG1-CB 4.4Å; V32-V64 HydrophobicContact CG2-CG1 3.83Å; V32-V64 HydrophobicContact CG2-CG2 3.91Å
33L98.4Very high97.9Very high5 Ų527 Ų273%0.02615%0.146CC..Hα-helixtrans-66.2-28-176.7-69.9179000114.1L29 D30 Q35 Y364L29-L33 HydrophobicContact CD1-CD1 3.71Å; L29-L33 HydrophobicContact CD1-CG 3.89Å; L29-L33 HydrophobicContact CD2-CD1 4.49Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CG 3.45Å; L29-L33 PolarHBondContact O-N 3.13Å; D30-L33 PolarHBondContact O-N 3.47Å; L33-Q35 PolarHBondContact O-N 2.85Å; L33-Y364 HydrophobicContact CD1-CD2 3.84Å; L33-Y364 HydrophobicContact CD1-CE2 3.44Å; L33-Y364 VanDerWaalsContact CD1-CE2 3.44Å
34E98.2Very high97.9Very high138 Ų13829.1 Ų29.165%0.64516%0.156SC*.THydrogen-bonded Turntrans-60-31.9172.6-177.968.2-146.900111.9D30 V32 P362D30-E34 WeakPolarHBondContact O-CB 3.32Å; D30-E34 PolarHBondContact O-N 2.86Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 3.02Å; E34-P362 HydrophobicContact CB-CB 4.47Å; E34-P362 HydrophobicContact CB-CG 4.18Å; E34-P362 WeakPolarHBondContact OE2-CG 3.46Å
35Q98.2Very high97.9Very high108 Ų10829.2 Ų29.251%0.50516%0.157SC..THydrogen-bonded Turntrans-99.6-33.4-178.9-68.6176.969.300112.9A31 V32 L33 A62 Y63A31-Q35 PolarHBondContact O-NE2 2.8Å; V32-Q35 PolarHBondContact O-N 3.13Å; L33-Q35 PolarHBondContact O-N 2.85Å; Q35-A62 HydrophobicContact CB-CB 3.57Å; Q35-A62 HydrophobicContact CG-CB 4.4Å; Q35-Y63 PolarHBondContact NE2-O 2.92Å; Q35-Y63 PolarHBondContact OE1-O 3.27Å
36D98Very high97.9Very high22 Ų2230 Ų3012%0.11816%0.164CC..  trans-140.489.2-175.1-176.32.7000110.3V32 D38 A39 T60 T61 A62V32-D36 PolarHBondContact O-N 2.98Å; D36-D38 PolarHBondContact O-N 3.11Å; D36-D38 VanDerWaalsContact O-N 3.12Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D36-A39 HydrophobicContact CB-CB 4.11Å; D36-A39 VanDerWaalsContact O-CB 3.22Å; D36-A39 WeakPolarHBondContact O-CB 3.19Å; D36-A39 PolarHBondContact O-N 3.35Å; D36-A39 VanDerWaalsContact O-N 3.11Å; D36-A39 PolarHBondContact OD1-N 2.85Å; D36-T60 VanDerWaalsContact CB-OG1 3.27Å; D36-T60 WeakPolarHBondContact CB-OG1 3.36Å; D36-T60 VanDerWaalsContact OD2-CA 3.3Å; D36-T60 WeakPolarHBondContact OD2-CA 3.4Å; D36-T60 PolarHBondContact OD2-OG1 3Å; D36-T61 PolarHBondContact OD2-N 2.88Å; D36-T61 PolarHBondContact OD2-OG1 3.12Å; D36-T61 VanDerWaalsContact OD2-OG1 3.06Å; D36-A62 HydrophobicContact CB-CB 4.14Å
37P97.5Very high97.8Very high61 Ų6130 Ų3040%0.39616%0.164SC..THydrogen-bonded Turntrans-61.5-16.8179.5-25.936000114.8K360P37-K360 HydrophobicContact CB-CB 4.11Å; P37-K360 WeakPolarHBondContact O-CB 3.39Å; P37-K360 WeakPolarHBondContact O-CD 3.38Å; P37-K360 WeakPolarHBondContact O-CG 3.22Å
38D94.4Very high97.7Very high105 Ų10534 Ų3456%0.56118%0.178SC*.THydrogen-bonded Turntrans-98.84.5-179.8-67.1-46.9000112.7D36 K360D36-D38 PolarHBondContact O-N 3.11Å; D36-D38 VanDerWaalsContact O-N 3.12Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D38-K360 IonicContact OD1-NZ 2.83Å; D38-K360 PolarHBondContact OD1-NZ 3.14Å
39A95.5Very high97.5Very high4 Ų437.9 Ų37.93%0.03320%0.201CC..  trans-61146.2178.800000113.3V32 D36 V41 S59 T60V32-A39 HydrophobicContact CG1-CB 3.32Å; D36-A39 HydrophobicContact CB-CB 4.11Å; D36-A39 VanDerWaalsContact O-CB 3.22Å; D36-A39 WeakPolarHBondContact O-CB 3.19Å; D36-A39 PolarHBondContact O-N 3.35Å; D36-A39 VanDerWaalsContact O-N 3.11Å; D36-A39 PolarHBondContact OD1-N 2.85Å; A39-V41 HydrophobicContact CB-CG2 4.32Å; A39-S59 WeakPolarHBondContact CA-O 3.32Å; A39-T60 WeakPolarHBondContact CB-OG1 3.36Å
40H94.8Very high97.2Very high33 Ų3339.3 Ų39.315%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-102.8126.5168.2-62-79.2000110I58 S59 N109 D279 T281H40-I58 CarbonylContact O-C 3.5Å; H40-I58 WeakPolarHBondContact O-CA 3.46Å; H40-S59 PolarHBondContact N-O 3.42Å; H40-S59 PolarHBondContact O-N 3.3Å; H40-N109 PolarHBondContact NE2-OD1 2.69Å; H40-D279 VanDerWaalsContact CA-OD2 3.27Å; H40-D279 WeakPolarHBondContact CA-OD2 3.39Å; H40-T281 PolarHBondContact ND1-OG1 2.87Å
41V97Very high97Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-134.9129.5-173.8-173.80000109.3L29 V32 A39 A43 I58 G277 K278 D279L29-V41 HydrophobicContact CB-CG1 4.35Å; L29-V41 HydrophobicContact CD1-CB 3.65Å; L29-V41 HydrophobicContact CD1-CG1 3.96Å; L29-V41 HydrophobicContact CD1-CG2 3.73Å; V32-V41 HydrophobicContact CB-CG2 4.23Å; V32-V41 HydrophobicContact CG1-CG2 3.81Å; A39-V41 HydrophobicContact CB-CG2 4.32Å; V41-A43 HydrophobicContact CG1-CB 3.93Å; V41-I58 HydrophobicContact CG1-CD1 4.24Å; V41-I58 HydrophobicContact CG1-CG1 4.11Å; V41-I58 HydrophobicContact CG2-CG2 4.35Å; V41-G277 CarbonylContact C-O 3.58Å; V41-K278 WeakPolarHBondContact O-CA 3.33Å; V41-D279 HydrophobicContact CB-CB 4.26Å; V41-D279 PolarHBondContact N-OD2 3.14Å; V41-D279 PolarHBondContact O-N 3.19Å
42A97.7Very high97Very high19 Ų1938 Ų3816%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-136.469.1167.400000107.9G56 E57 G277A42-G56 WeakPolarHBondContact O-CA 3.37Å; A42-E57 PolarHBondContact N-O 3.34Å; A42-E57 PolarHBondContact O-N 3Å; A42-E57 VanDerWaalsContact O-N 3.09Å; A42-G277 CarbonylContact C-O 3.56Å; A42-G277 VanDerWaalsContact CA-O 3.26Å; A42-G277 WeakPolarHBondContact CA-O 3.36Å; A42-G277 PolarHBondContact N-O 3.08Å
43A98.3Very high97Very high1 Ų140.9 Ų40.91%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-88.7113.8-176.400000111S25 I28 V41 I58 G277S25-A43 WeakPolarHBondContact CB-O 3.39Å; S25-A43 PolarHBondContact OG-O 2.77Å; I28-A43 HydrophobicContact CG2-CB 4.2Å; V41-A43 HydrophobicContact CG1-CB 3.93Å; A43-I58 HydrophobicContact CB-CD1 4.34Å; A43-G277 PolarHBondContact N-O 3.13Å; A43-G277 WeakPolarHBondContact O-CA 3.39Å
44E98.8Very high97Very high58 Ų5840.6 Ų40.627%0.27122%0.219SC..EExtended strand (participates in β ladder)trans-101.8139.7176.3-60.1-66.5175.200110.2V54 F55 T255E44-V54 CarbonylContact O-C 3.56Å; E44-V54 WeakPolarHBondContact O-CA 3.46Å; E44-F55 HydrophobicContact CB-CD1 4.38Å; E44-F55 HydrophobicContact CB-CD2 3.82Å; E44-F55 HydrophobicContact CB-CE1 4.05Å; E44-F55 HydrophobicContact CB-CE2 3.46Å; E44-F55 VanDerWaalsContact CB-CE2 3.46Å; E44-F55 HydrophobicContact CB-CG 4.27Å; E44-F55 HydrophobicContact CB-CZ 3.58Å; E44-F55 HydrophobicContact CG-CD2 4.48Å; E44-F55 HydrophobicContact CG-CE2 4.06Å; E44-F55 PolarHBondContact N-O 2.67Å; E44-F55 PolarHBondContact O-N 3.2Å; E44-F55 VanDerWaalsContact O-O 3.13Å; E44-T255 WeakPolarHBondContact OE2-CB 3.25Å; E44-T255 WeakPolarHBondContact OE2-CG2 3.29Å
45T98.9Very high97.1Very high2 Ų237.6 Ų37.61%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-124.2133.5177.4-54.70000110.5A21 I24 S25 V47 V52 H53 V54 L254 T255A21-T45 HydrophobicContact CB-CG2 4.14Å; A21-T45 WeakPolarHBondContact CB-O 3.39Å; I24-T45 HydrophobicContact CB-CG2 4.03Å; I24-T45 HydrophobicContact CD1-CG2 4.13Å; I24-T45 HydrophobicContact CG2-CG2 3.83Å; I24-T45 WeakPolarHBondContact CG2-OG1 3.42Å; S25-T45 PolarHBondContact OG-N 3.26Å; S25-T45 PolarHBondContact OG-OG1 3Å; T45-V47 HydrophobicContact CG2-CG1 3.95Å; T45-V52 HydrophobicContact CG2-CG1 3.71Å; T45-H53 WeakPolarHBondContact CA-O 3.39Å; T45-V54 HydrophobicContact CG2-CG2 4.44Å; T45-L254 WeakPolarHBondContact O-CA 3.35Å; T45-T255 WeakPolarHBondContact CA-OG1 3.47Å; T45-T255 WeakPolarHBondContact CB-OG1 3.48Å; T45-T255 PolarHBondContact N-OG1 2.86Å; T45-T255 PolarHBondContact O-N 2.92Å; T45-T255 PolarHBondContact O-OG1 3.02Å; T45-T255 VanDerWaalsContact O-OG1 3.11Å
46A98.7Very high97Very high18 Ų1832.8 Ų32.815%0.14918%0.183CC..EExtended strand (participates in β ladder)trans-115.8132.9164.300000110V52 H53 F55 G253 L254A46-V52 WeakPolarHBondContact O-CA 3.43Å; A46-H53 HydrophobicContact CB-CB 4.47Å; A46-H53 PolarHBondContact N-O 2.77Å; A46-H53 PolarHBondContact O-N 2.93Å; A46-F55 HydrophobicContact CB-CE1 4.12Å; A46-G253 CarbonylContact C-O 3.58Å; A46-G253 WeakPolarHBondContact CA-O 3.1Å; A46-L254 HydrophobicContact CB-CG 4.41Å
47V98.2Very high97Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-121.5135.8177.6-56.60000110.2P17 I20 A21 I24 T45 V52 P248 S252 G253P17-V47 HydrophobicContact CB-CG2 3.95Å; P17-V47 WeakPolarHBondContact O-CG2 3.45Å; I20-V47 HydrophobicContact CG2-CG1 4.15Å; A21-V47 HydrophobicContact CB-CG1 4.35Å; A21-V47 HydrophobicContact CB-CG2 4.48Å; I24-V47 HydrophobicContact CD1-CG1 4.23Å; T45-V47 HydrophobicContact CG2-CG1 3.95Å; V47-V52 HydrophobicContact CG1-CG1 4.24Å; V47-V52 HydrophobicContact CG1-CG2 3.99Å; V47-P248 HydrophobicContact CB-CB 4.3Å; V47-P248 HydrophobicContact CB-CG 4.07Å; V47-P248 HydrophobicContact CG2-CB 4.27Å; V47-P248 HydrophobicContact CG2-CG 3.84Å; V47-S252 CarbonylContact O-C 3.54Å; V47-S252 WeakPolarHBondContact O-CA 3.09Å; V47-G253 PolarHBondContact N-O 2.77Å; V47-G253 PolarHBondContact O-N 2.8Å
48Y96.1Very high96.9Very high92 Ų9233.7 Ų33.736%0.36118%0.182SC..EExtended strand (participates in β ladder)trans-156.2-179177.557.4-85000109.8G50 S51 P248Y48-G50 PolarHBondContact O-N 3.08Å; Y48-S51 PolarHBondContact N-O 3.5Å; Y48-S51 PolarHBondContact O-N 2.99Å; Y48-S51 WeakPolarHBondContact OH-CB 3.4Å; Y48-P248 CarbonylContact C-O 3.56Å
49T93.8Very high97Very high80 Ų8029.9 Ų29.949%0.49116%0.163SC..THydrogen-bonded Turntrans-46.6110.8-176.9-57.10000112.5S51 P248T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 3.23Å; T49-P248 PolarHBondContact N-O 2.64Å; T49-P248 VanDerWaalsContact N-O 3.12Å
50G92.2Very high97Very high31 Ų3131.9 Ų31.932%0.3218%0.175SC..THydrogen-bonded Turntrans71.85.4176.400000116.6Y48 G92Y48-G50 PolarHBondContact O-N 3.08Å; G50-G92 PolarHBondContact O-N 3.4Å
51S96.1Very high97Very high20 Ų2036.4 Ų36.414%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-144.3147.8-172-66.90000114.4Y48 T49 G92Y48-S51 PolarHBondContact N-O 3.5Å; Y48-S51 PolarHBondContact O-N 2.99Å; Y48-S51 WeakPolarHBondContact OH-CB 3.4Å; T49-S51 VanDerWaalsContact C-N 3.27Å; T49-S51 PolarHBondContact O-N 3.23Å; S51-G92 CarbonylContact C-O 3.47Å; S51-G92 WeakPolarHBondContact CA-O 3.19Å
52V98.4Very high97Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-126.4124.4166.3179.80000108.8I24 T45 A46 V47 V54 V70 I74 F86 V91 G92 V93 H94I24-V52 HydrophobicContact CD1-CG1 4.03Å; I24-V52 HydrophobicContact CD1-CG2 4.4Å; T45-V52 HydrophobicContact CG2-CG1 3.71Å; A46-V52 WeakPolarHBondContact O-CA 3.43Å; V47-V52 HydrophobicContact CG1-CG1 4.24Å; V47-V52 HydrophobicContact CG1-CG2 3.99Å; V52-V54 HydrophobicContact CG1-CG2 4.05Å; V52-V70 HydrophobicContact CB-CG1 3.95Å; V52-V70 HydrophobicContact CG1-CG1 3.86Å; V52-V70 HydrophobicContact CG1-CG2 4.26Å; V52-V70 HydrophobicContact CG2-CG1 3.93Å; V52-I74 HydrophobicContact CG2-CD1 3.95Å; V52-F86 HydrophobicContact CG2-CE2 4.17Å; V52-F86 HydrophobicContact CG2-CZ 3.8Å; V52-V91 HydrophobicContact CG2-CG2 3.85Å; V52-G92 PolarHBondContact N-O 3.41Å; V52-V93 WeakPolarHBondContact O-CA 3.16Å; V52-H94 PolarHBondContact O-CD2 3.19Å; V52-H94 PolarHBondContact O-N 3.4Å
53H98.5Very high96.9Very high61 Ų6145 Ų4528%0.28224%0.239SC..EExtended strand (participates in β ladder)trans-107.9117.1171.7-162.6160.5000108.5T45 A46 H94 S96T45-H53 WeakPolarHBondContact CA-O 3.39Å; A46-H53 HydrophobicContact CB-CB 4.47Å; A46-H53 PolarHBondContact N-O 2.77Å; A46-H53 PolarHBondContact O-N 2.93Å; H53-H94 WeakPolarHBondContact CA-O 3.37Å; H53-H94 PolarHBondContact CD2-O 3.49Å; H53-S96 WeakPolarHBondContact NE2-CB 3.27Å; H53-S96 PolarHBondContact NE2-OG 2.9Å
54V98.7Very high96.8Very high0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-104124.2172.8177.20000107.7I24 I28 E44 T45 V52 I66 V70 H94 P95 S96 V97I24-V54 HydrophobicContact CG2-CG2 4.13Å; I28-V54 HydrophobicContact CD1-CB 4.41Å; I28-V54 HydrophobicContact CD1-CG1 3.45Å; I28-V54 VanDerWaalsContact CD1-CG1 3.45Å; I28-V54 HydrophobicContact CD1-CG2 4.05Å; E44-V54 CarbonylContact O-C 3.56Å; E44-V54 WeakPolarHBondContact O-CA 3.46Å; T45-V54 HydrophobicContact CG2-CG2 4.44Å; V52-V54 HydrophobicContact CG1-CG2 4.05Å; V54-I66 HydrophobicContact CB-CG2 4.07Å; V54-I66 HydrophobicContact CG1-CG2 4.09Å; V54-I66 HydrophobicContact CG2-CG2 3.98Å; V54-V70 HydrophobicContact CG2-CG2 3.79Å; V54-H94 PolarHBondContact N-O 3.01Å; V54-P95 CarbonylContact O-C 3.51Å; V54-P95 WeakPolarHBondContact O-CA 3.38Å; V54-S96 PolarHBondContact O-N 3.27Å; V54-V97 HydrophobicContact CG1-CG2 4.16Å
55F98.6Very high96.7Very high74 Ų7446.8 Ų46.833%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-145.4173.5-176.660.5-83.5000111.2E44 A46 S96E44-F55 HydrophobicContact CB-CD1 4.38Å; E44-F55 HydrophobicContact CB-CD2 3.82Å; E44-F55 HydrophobicContact CB-CE1 4.05Å; E44-F55 HydrophobicContact CB-CE2 3.46Å; E44-F55 VanDerWaalsContact CB-CE2 3.46Å; E44-F55 HydrophobicContact CB-CG 4.27Å; E44-F55 HydrophobicContact CB-CZ 3.58Å; E44-F55 HydrophobicContact CG-CD2 4.48Å; E44-F55 HydrophobicContact CG-CE2 4.06Å; E44-F55 PolarHBondContact N-O 2.67Å; E44-F55 PolarHBondContact O-N 3.2Å; E44-F55 VanDerWaalsContact O-O 3.13Å; A46-F55 HydrophobicContact CB-CE1 4.12Å; F55-S96 WeakPolarHBondContact CA-O 3.2Å
56G97.3Very high96.6Very high7 Ų747.8 Ų47.87%0.07226%0.256CS..EExtended strand (participates in β ladder)trans114.7-158.4-179.700000112.6A42 V97 V98A42-G56 WeakPolarHBondContact O-CA 3.37Å; G56-V97 WeakPolarHBondContact O-CA 3.39Å; G56-V98 PolarHBondContact O-N 2.98Å
57E96.9Very high96.5Very high83 Ų8350 Ų5039%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-117124.4-167.3-60.972.8-138.200112A42 V98 Q100A42-E57 PolarHBondContact N-O 3.34Å; A42-E57 PolarHBondContact O-N 3Å; A42-E57 VanDerWaalsContact O-N 3.09Å; E57-V98 CarbonylContact C-O 3.11Å; E57-V98 VanDerWaalsContact CA-O 3.27Å; E57-V98 WeakPolarHBondContact CA-O 3.31Å; E57-V98 HydrophobicContact CG-CG2 4.1Å; E57-Q100 HydrophobicContact CB-CB 4.36Å
58I96.4Very high96.5Very high20 Ų2057.6 Ų57.610%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-132.2119.7174.6-56.9-176.1000109.3I28 V32 H40 V41 A43 T60 V97 V98I28-I58 HydrophobicContact CG2-CD1 3.81Å; V32-I58 HydrophobicContact CG2-CG2 4.41Å; H40-I58 CarbonylContact O-C 3.5Å; H40-I58 WeakPolarHBondContact O-CA 3.46Å; V41-I58 HydrophobicContact CG1-CD1 4.24Å; V41-I58 HydrophobicContact CG1-CG1 4.11Å; V41-I58 HydrophobicContact CG2-CG2 4.35Å; A43-I58 HydrophobicContact CB-CD1 4.34Å; I58-T60 HydrophobicContact CG2-CG2 3.64Å; I58-V97 HydrophobicContact CB-CG1 3.71Å; I58-V97 HydrophobicContact CD1-CG1 3.83Å; I58-V97 HydrophobicContact CD1-CG2 4.44Å; I58-V97 HydrophobicContact CG1-CG1 3.59Å; I58-V98 PolarHBondContact N-O 3.36Å
59S95.9Very high96.6Very high24 Ų2454.5 Ų54.517%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-114.1109.1171.1-70.50000108.8A39 H40 E99 Q100A39-S59 WeakPolarHBondContact CA-O 3.32Å; H40-S59 PolarHBondContact N-O 3.42Å; H40-S59 PolarHBondContact O-N 3.3Å; S59-E99 VanDerWaalsContact OG-CG 3.25Å; S59-E99 WeakPolarHBondContact OG-CG 3.41Å; S59-Q100 WeakPolarHBondContact OG-CB 3.37Å; S59-Q100 PolarHBondContact OG-N 2.85Å
60T96.4Very high96.8Very high46 Ų4650.7 Ų50.728%0.28226%0.26SS..  trans-158.2158.1-174.4-174.30000111.5V32 D36 A39 I58 A62V32-T60 HydrophobicContact CG1-CG2 4.07Å; D36-T60 VanDerWaalsContact CB-OG1 3.27Å; D36-T60 WeakPolarHBondContact CB-OG1 3.36Å; D36-T60 VanDerWaalsContact OD2-CA 3.3Å; D36-T60 WeakPolarHBondContact OD2-CA 3.4Å; D36-T60 PolarHBondContact OD2-OG1 3Å; A39-T60 WeakPolarHBondContact CB-OG1 3.36Å; I58-T60 HydrophobicContact CG2-CG2 3.64Å; T60-A62 HydrophobicContact CG2-CB 4.06Å; T60-A62 VanDerWaalsContact OG1-CB 3.3Å; T60-A62 WeakPolarHBondContact OG1-CB 3.32Å; T60-A62 PolarHBondContact OG1-N 2.94Å
61T95.4Very high97.1Very high128 Ų12851.8 Ų51.879%0.78526%0.255SS*.SBendtrans-86.3-11.616659.60000113.2D36D36-T61 PolarHBondContact OD2-N 2.88Å; D36-T61 PolarHBondContact OD2-OG1 3.12Å; D36-T61 VanDerWaalsContact OD2-OG1 3.06Å
62A96.5Very high97.2Very high18 Ų1854.2 Ų54.215%0.14927%0.266CS..  trans-70.3150-179.600000112.7V32 Q35 D36 T60V32-A62 HydrophobicContact CG1-CB 4.4Å; Q35-A62 HydrophobicContact CB-CB 3.57Å; Q35-A62 HydrophobicContact CG-CB 4.4Å; D36-A62 HydrophobicContact CB-CB 4.14Å; T60-A62 HydrophobicContact CG2-CB 4.06Å; T60-A62 VanDerWaalsContact OG1-CB 3.3Å; T60-A62 WeakPolarHBondContact OG1-CB 3.32Å; T60-A62 PolarHBondContact OG1-N 2.94Å
63Y95.1Very high97.2Very high181 Ų18154.3 Ų54.371%0.7127%0.267SS*.  trans-108.2125.3163.2173.6-95000109.3Q35Q35-Y63 PolarHBondContact NE2-O 2.92Å; Q35-Y63 PolarHBondContact OE1-O 3.27Å
64V95.2Very high97.2Very high26 Ų2651.4 Ų51.416%0.15825%0.253CS..  trans-126.3130.6177.8-66.80000110.8A31 V32 I66 I69A31-V64 HydrophobicContact CB-CG1 3.85Å; V32-V64 HydrophobicContact CG2-CG1 3.83Å; V32-V64 HydrophobicContact CG2-CG2 3.91Å; V64-I66 HydrophobicContact CG2-CG1 4.28Å; V64-I66 PolarHBondContact O-N 2.8Å; V64-I66 VanDerWaalsContact O-N 3.1Å; V64-I69 HydrophobicContact CB-CD1 3.92Å
65D97Very high97.2Very high71 Ų7153.1 Ų53.138%0.3827%0.268SS..  trans-80.687.7173.1-176.1-11.5000109.5N67 R68 I69D65-N67 PolarHBondContact O-N 2.91Å; D65-N67 WeakPolarHBondContact OD1-CB 3.5Å; D65-N67 PolarHBondContact OD1-N 2.81Å; D65-N67 VanDerWaalsContact OD1-N 3.14Å; D65-R68 HydrophobicContact CB-CB 4.04Å; D65-R68 VanDerWaalsContact CG-CB 3.48Å; D65-R68 PolarHBondContact O-N 3.46Å; D65-R68 PolarHBondContact OD1-N 2.93Å; D65-R68 WeakPolarHBondContact OD2-CB 3.24Å; D65-I69 WeakPolarHBondContact O-CG1 3.27Å; D65-I69 PolarHBondContact O-N 2.82Å
66I97.5Very high97.2Very high24 Ų2454.7 Ų54.712%0.12328%0.276CS..Hα-helixtrans-55.4-37.5179.6-64.9174.5000111.2I28 V54 V64 I69 V70 P95 V97I28-I66 HydrophobicContact CD1-CG2 4.33Å; V54-I66 HydrophobicContact CB-CG2 4.07Å; V54-I66 HydrophobicContact CG1-CG2 4.09Å; V54-I66 HydrophobicContact CG2-CG2 3.98Å; V64-I66 HydrophobicContact CG2-CG1 4.28Å; V64-I66 PolarHBondContact O-N 2.8Å; V64-I66 VanDerWaalsContact O-N 3.1Å; I66-I69 PolarHBondContact O-N 2.57Å; I66-V70 HydrophobicContact CG2-CG2 4.18Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.31Å; I66-V70 PolarHBondContact O-N 2.98Å; I66-P95 HydrophobicContact CB-CG 4.32Å; I66-P95 HydrophobicContact CD1-CB 4.19Å; I66-P95 HydrophobicContact CG2-CB 4.26Å; I66-P95 HydrophobicContact CG2-CG 4.01Å; I66-V97 HydrophobicContact CD1-CG2 3.88Å
67N97.4Very high97.2Very high65 Ų6554.4 Ų54.435%0.34827%0.273SS..Hα-helixtrans-61.9-49.8-178.9-167.4-67.8000110.4D65 V70 R71D65-N67 PolarHBondContact O-N 2.91Å; D65-N67 WeakPolarHBondContact OD1-CB 3.5Å; D65-N67 PolarHBondContact OD1-N 2.81Å; D65-N67 VanDerWaalsContact OD1-N 3.14Å; N67-V70 PolarHBondContact O-N 3.04Å; N67-R71 WeakPolarHBondContact O-CG 3.29Å; N67-R71 PolarHBondContact O-N 2.85Å; N67-R71 WeakPolarHBondContact OD1-CD 2.92Å; N67-R71 PolarHBondContact OD1-NE 2.74Å
68R97.5Very high97.2Very high158 Ų15851.2 Ų51.260%0.59626%0.263SS*.Hα-helixtrans-64.2-46.2178.1-178.2170.2179.4175.20.8112.5D65 V70 R71 D72D65-R68 HydrophobicContact CB-CB 4.04Å; D65-R68 VanDerWaalsContact CG-CB 3.48Å; D65-R68 PolarHBondContact O-N 3.46Å; D65-R68 PolarHBondContact OD1-N 2.93Å; D65-R68 WeakPolarHBondContact OD2-CB 3.24Å; R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 PolarHBondContact O-N 3.4Å; R68-R71 PolarHBondContact O-N 2.93Å; R68-R71 VanDerWaalsContact O-N 3.14Å; R68-D72 VanDerWaalsContact CG-OD2 3.3Å; R68-D72 WeakPolarHBondContact CG-OD2 3.3Å; R68-D72 IonicContact NE-OD2 3.39Å; R68-D72 PolarHBondContact NE-OD2 3.1Å; R68-D72 WeakPolarHBondContact O-CB 3.43Å; R68-D72 PolarHBondContact O-N 2.76Å
69I98.4Very high97.2Very high27 Ų2750.3 Ų50.314%0.13826%0.258CS..Hα-helixtrans-57.5-44.3179.6-68.4164.3000111.2A27 I28 A31 V64 D65 I66 T73A27-I69 HydrophobicContact CB-CG2 3.62Å; I28-I69 HydrophobicContact CG1-CG2 3.98Å; A31-I69 HydrophobicContact CB-CD1 3.5Å; A31-I69 HydrophobicContact CB-CG1 4.39Å; V64-I69 HydrophobicContact CB-CD1 3.92Å; D65-I69 WeakPolarHBondContact O-CG1 3.27Å; D65-I69 PolarHBondContact O-N 2.82Å; I66-I69 PolarHBondContact O-N 2.57Å; I69-T73 VanDerWaalsContact O-CB 3.26Å; I69-T73 WeakPolarHBondContact O-CB 3.35Å; I69-T73 PolarHBondContact O-N 3.39Å; I69-T73 PolarHBondContact O-OG1 3.04Å
70V98.5Very high97.2Very high0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-59.2-49.5176.6167.60000110.7I24 V52 V54 I66 N67 R68 T73 I74 V93I24-V70 HydrophobicContact CD1-CG1 4.2Å; I24-V70 HydrophobicContact CG2-CG2 3.71Å; V52-V70 HydrophobicContact CB-CG1 3.95Å; V52-V70 HydrophobicContact CG1-CG1 3.86Å; V52-V70 HydrophobicContact CG1-CG2 4.26Å; V52-V70 HydrophobicContact CG2-CG1 3.93Å; V54-V70 HydrophobicContact CG2-CG2 3.79Å; I66-V70 HydrophobicContact CG2-CG2 4.18Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 WeakPolarHBondContact O-CG2 3.31Å; I66-V70 PolarHBondContact O-N 2.98Å; N67-V70 PolarHBondContact O-N 3.04Å; R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 PolarHBondContact O-N 3.4Å; V70-T73 PolarHBondContact O-N 3.11Å; V70-I74 HydrophobicContact CG1-CD1 3.71Å; V70-I74 WeakPolarHBondContact O-CD1 2.97Å; V70-I74 WeakPolarHBondContact O-CG1 3.13Å; V70-I74 PolarHBondContact O-N 3.33Å; V70-V93 HydrophobicContact CB-CG1 4.12Å; V70-V93 HydrophobicContact CB-CG2 4.21Å; V70-V93 HydrophobicContact CG1-CG1 4.17Å; V70-V93 HydrophobicContact CG1-CG2 3.72Å; V70-V93 HydrophobicContact CG2-CG1 3.95Å
71R98.1Very high96.9Very high55 Ų5554 Ų5421%0.20828%0.278CS..Hα-helixtrans-65.9-46.9-177.4-66.4-179.2-176.6-81.5-3112.2N67 R68 T73 I74 A75 A88 E89 V91N67-R71 WeakPolarHBondContact O-CG 3.29Å; N67-R71 PolarHBondContact O-N 2.85Å; N67-R71 WeakPolarHBondContact OD1-CD 2.92Å; N67-R71 PolarHBondContact OD1-NE 2.74Å; R68-R71 PolarHBondContact O-N 2.93Å; R68-R71 VanDerWaalsContact O-N 3.14Å; R71-T73 VanDerWaalsContact C-N 3.29Å; R71-T73 PolarHBondContact O-N 2.99Å; R71-I74 PolarHBondContact O-N 2.82Å; R71-A75 WeakPolarHBondContact O-CB 3.48Å; R71-A75 PolarHBondContact O-N 2.9Å; R71-A88 WeakPolarHBondContact CG-O 3.38Å; R71-A88 PolarHBondContact NH1-O 2.95Å; R71-A88 WeakPolarHBondContact O-CB 3.39Å; R71-E89 VanDerWaalsContact NH1-C 3.26Å; R71-E89 PolarHBondContact NH1-O 3.3Å; R71-V91 PolarHBondContact NH1-O 3.48Å; R71-V91 PolarHBondContact NH2-O 3.44Å
72D98.4Very high96.4Very high71 Ų7151.1 Ų51.138%0.3827%0.267SS..Hα-helixtrans-60-43178.4-70.1-11.3000110.1R68 I74 A75 E76R68-D72 VanDerWaalsContact CG-OD2 3.3Å; R68-D72 WeakPolarHBondContact CG-OD2 3.3Å; R68-D72 IonicContact NE-OD2 3.39Å; R68-D72 PolarHBondContact NE-OD2 3.1Å; R68-D72 WeakPolarHBondContact O-CB 3.43Å; R68-D72 PolarHBondContact O-N 2.76Å; D72-I74 PolarHBondContact O-N 3.01Å; D72-A75 PolarHBondContact O-N 3.33Å; D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 3Å
73T98.6Very high95.7Very high1 Ų157.5 Ų57.51%0.00629%0.294CS..Hα-helixtrans-61.2-45.6176.7-59.50000112.6Q23 I24 A27 I69 V70 R71 A75 E76 I77Q23-T73 HydrophobicContact CB-CG2 4.01Å; I24-T73 HydrophobicContact CG1-CG2 3.76Å; A27-T73 WeakPolarHBondContact CB-OG1 3.4Å; I69-T73 VanDerWaalsContact O-CB 3.26Å; I69-T73 WeakPolarHBondContact O-CB 3.35Å; I69-T73 PolarHBondContact O-N 3.39Å; I69-T73 PolarHBondContact O-OG1 3.04Å; V70-T73 PolarHBondContact O-N 3.11Å; R71-T73 VanDerWaalsContact C-N 3.29Å; R71-T73 PolarHBondContact O-N 2.99Å; T73-A75 VanDerWaalsContact C-N 3.33Å; T73-A75 PolarHBondContact O-N 2.78Å; T73-E76 PolarHBondContact O-N 3.02Å; T73-I77 HydrophobicContact CG2-CD1 4.08Å; T73-I77 WeakPolarHBondContact O-CD1 3.45Å; T73-I77 VanDerWaalsContact O-CG1 3.31Å; T73-I77 WeakPolarHBondContact O-CG1 3.46Å; T73-I77 PolarHBondContact O-N 3.37Å
74I98.2Very high95.2Very high0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-63.8-39.7178-67.9166000111.2I20 I24 V52 V70 R71 D72 I77 G78 Y79 F86 A88 V91I20-I74 HydrophobicContact CG2-CG1 4.38Å; I24-I74 HydrophobicContact CD1-CD1 4.43Å; I24-I74 HydrophobicContact CD1-CG1 4.23Å; V52-I74 HydrophobicContact CG2-CD1 3.95Å; V70-I74 HydrophobicContact CG1-CD1 3.71Å; V70-I74 WeakPolarHBondContact O-CD1 2.97Å; V70-I74 WeakPolarHBondContact O-CG1 3.13Å; V70-I74 PolarHBondContact O-N 3.33Å; R71-I74 PolarHBondContact O-N 2.82Å; D72-I74 PolarHBondContact O-N 3.01Å; I74-I77 PolarHBondContact O-N 3.18Å; I74-G78 PolarHBondContact O-N 2.96Å; I74-Y79 PolarHBondContact O-N 3.35Å; I74-Y79 VanDerWaalsContact O-N 3.17Å; I74-F86 HydrophobicContact CB-CE1 4.44Å; I74-F86 HydrophobicContact CD1-CE1 3.74Å; I74-F86 HydrophobicContact CD1-CZ 3.66Å; I74-F86 HydrophobicContact CG1-CE1 3.88Å; I74-F86 HydrophobicContact CG1-CZ 4.24Å; I74-F86 HydrophobicContact CG2-CD1 4.11Å; I74-F86 HydrophobicContact CG2-CE1 3.64Å; I74-A88 HydrophobicContact CB-CB 4.05Å; I74-A88 HydrophobicContact CG2-CB 3.83Å; I74-V91 HydrophobicContact CD1-CG1 3.92Å
75A97.9Very high94.3Very high37 Ų3750.8 Ų50.831%0.30627%0.273SS..Hα-helixtrans-64.6-44.7178.500000111.6R71 D72 T73 I77 G78 T80 A88R71-A75 WeakPolarHBondContact O-CB 3.48Å; R71-A75 PolarHBondContact O-N 2.9Å; D72-A75 PolarHBondContact O-N 3.33Å; T73-A75 VanDerWaalsContact C-N 3.33Å; T73-A75 PolarHBondContact O-N 2.78Å; A75-I77 VanDerWaalsContact C-N 3.33Å; A75-I77 PolarHBondContact O-N 2.93Å; A75-G78 WeakPolarHBondContact O-CA 3.4Å; A75-G78 PolarHBondContact O-N 2.87Å; A75-T80 HydrophobicContact CB-CG2 4.06Å; A75-A88 HydrophobicContact CB-CB 3.84Å
76E97.8Very high94.1Very high106 Ų10647.5 Ų47.550%0.49526%0.256SS..Hα-helixtrans-65.1-32.3178.7-72.8177.3-144.200113.7D72 T73 G78 K165 R365D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 3Å; T73-E76 PolarHBondContact O-N 3.02Å; E76-G78 PolarHBondContact O-N 2.9Å; E76-K165 WeakPolarHBondContact O-CE 3.49Å; E76-K165 PolarHBondContact O-NZ 3.38Å; E76-R365 VanDerWaalsContact CD-NH1 3.32Å; E76-R365 VanDerWaalsContact CD-NH2 3.26Å; E76-R365 IonicContact OE1-CZ 2.85Å; E76-R365 IonicContact OE1-NH1 3.64Å; E76-R365 PolarHBondContact OE1-NH1 3.42Å; E76-R365 VanDerWaalsContact OE1-NH1 3.09Å; E76-R365 IonicContact OE1-NH2 2.6Å; E76-R365 IonicContact OE2-CZ 3.68Å; E76-R365 IonicContact OE2-NH1 3.9Å; E76-R365 PolarHBondContact OE2-NH1 2.98Å; E76-R365 IonicContact OE2-NH2 3.53Å; E76-R365 PolarHBondContact OE2-NH2 3.47Å
77I97.9Very high94Very high1 Ų146.5 Ų46.51%0.00525%0.251CS..Hα-helixtrans-66.1-31.6172.2-70.3166.5000110.7E14 I20 Q23 T73 I74 A75 Y79 R164 P174E14-I77 HydrophobicContact CG-CG2 4.29Å; E14-I77 WeakPolarHBondContact O-CG2 3.02Å; I20-I77 HydrophobicContact CB-CD1 4.3Å; I20-I77 HydrophobicContact CG1-CD1 4.04Å; I20-I77 HydrophobicContact CG2-CD1 4.16Å; Q23-I77 HydrophobicContact CB-CD1 4.33Å; T73-I77 HydrophobicContact CG2-CD1 4.08Å; T73-I77 WeakPolarHBondContact O-CD1 3.45Å; T73-I77 VanDerWaalsContact O-CG1 3.31Å; T73-I77 WeakPolarHBondContact O-CG1 3.46Å; T73-I77 PolarHBondContact O-N 3.37Å; I74-I77 PolarHBondContact O-N 3.18Å; A75-I77 VanDerWaalsContact C-N 3.33Å; A75-I77 PolarHBondContact O-N 2.93Å; I77-Y79 HydrophobicContact CG2-CD2 3.72Å; I77-Y79 HydrophobicContact CG2-CE2 3.82Å; I77-R164 PolarHBondContact O-NH1 3.45Å; I77-R164 PolarHBondContact O-NH2 2.85Å; I77-R164 VanDerWaalsContact O-NH2 3.12Å; I77-P174 HydrophobicContact CG2-CB 4.21Å
78G97.1Very high93.9Very high17 Ų1743.6 Ų43.618%0.17524%0.236CC..THydrogen-bonded Turntrans112.813.1175.700000114.9I74 A75 E76 T80I74-G78 PolarHBondContact O-N 2.96Å; A75-G78 WeakPolarHBondContact O-CA 3.4Å; A75-G78 PolarHBondContact O-N 2.87Å; E76-G78 PolarHBondContact O-N 2.9Å; G78-T80 VanDerWaalsContact C-N 3.25Å; G78-T80 PolarHBondContact O-N 2.89Å; G78-T80 VanDerWaalsContact O-N 3.09Å
79Y96.7Very high93.8Very high0 Ų043.8 Ų43.80%024%0.244CC..  trans-83.972.2170.7-74.3-73.4000109.9G15 I20 I74 I77 Y84 F86 A87 A88 P174 G247G15-Y79 WeakPolarHBondContact O-CE2 3.4Å; G15-Y79 PolarHBondContact O-OH 2.81Å; I20-Y79 HydrophobicContact CD1-CD2 3.86Å; I20-Y79 HydrophobicContact CD1-CE2 3.34Å; I20-Y79 HydrophobicContact CG1-CE2 4.18Å; I74-Y79 PolarHBondContact O-N 3.35Å; I74-Y79 VanDerWaalsContact O-N 3.17Å; I77-Y79 HydrophobicContact CG2-CD2 3.72Å; I77-Y79 HydrophobicContact CG2-CE2 3.82Å; Y79-Y84 HydrophobicContact CD1-CD2 4.24Å; Y79-F86 HydrophobicContact CD1-CB 4.43Å; Y79-F86 HydrophobicContact CD1-CD1 4.23Å; Y79-F86 WeakPolarHBondContact CD1-O 3.37Å; Y79-F86 HydrophobicContact CD2-CD1 4.31Å; Y79-F86 AromaticContact CG-CD1 3.94Å; Y79-F86 HydrophobicContact CG-CD1 3.94Å; Y79-A87 CarbonylContact O-C 3.54Å; Y79-A87 VanDerWaalsContact O-CA 3.24Å; Y79-A87 WeakPolarHBondContact O-CA 3.46Å; Y79-A88 PolarHBondContact O-N 3.24Å; Y79-P174 HydrophobicContact CD1-CG 4.27Å; Y79-P174 HydrophobicContact CD2-CB 4.21Å; Y79-P174 HydrophobicContact CD2-CG 4.21Å; Y79-P174 HydrophobicContact CE1-CB 4.32Å; Y79-P174 HydrophobicContact CE1-CG 4.12Å; Y79-P174 HydrophobicContact CE2-CB 3.65Å; Y79-P174 HydrophobicContact CE2-CG 4.06Å; Y79-P174 HydrophobicContact CG-CG 4.3Å; Y79-G247 WeakPolarHBondContact OH-CA 3.39Å; Y79-G247 PolarHBondContact OH-N 3.49Å
80T95.3Very high93.5Very high97 Ų9746.5 Ų46.560%0.59527%0.265SS*.  trans-112.8-9.4-178.454.30000113.2A75 G78A75-T80 HydrophobicContact CB-CG2 4.06Å; G78-T80 VanDerWaalsContact C-N 3.25Å; G78-T80 PolarHBondContact O-N 2.89Å; G78-T80 VanDerWaalsContact O-N 3.09Å
81N90.1Very high93.3Very high52 Ų5246.6 Ų46.628%0.27827%0.266SS..  trans-103.8119.6176.9-174.7-8.2000110.4E83 Y84N81-E83 PolarHBondContact ND2-OE2 2.82Å; N81-E83 PolarHBondContact O-N 3.46Å; N81-E83 VanDerWaalsContact O-N 3.16Å; N81-E83 WeakPolarHBondContact OD1-CB 3.5Å; N81-E83 WeakPolarHBondContact OD1-CG 3.35Å; N81-E83 PolarHBondContact OD1-N 2.96Å; N81-Y84 HydrophobicContact CB-CD1 4.15Å; N81-Y84 HydrophobicContact CB-CD2 4.07Å; N81-Y84 HydrophobicContact CB-CE1 3.94Å; N81-Y84 HydrophobicContact CB-CE2 3.87Å; N81-Y84 HydrophobicContact CB-CG 4.21Å; N81-Y84 WeakPolarHBondContact O-CB 3.48Å; N81-Y84 PolarHBondContact O-N 2.76Å
82A85.3Confident93.3Very high67 Ų6745.2 Ų45.255%0.55427%0.269SS*.G310 helixtrans-58.9-25.1177.800000113.3Y84 G85A82-Y84 PolarHBondContact O-N 3.16Å; A82-G85 PolarHBondContact O-N 2.85Å
83E82.7Confident93.2Very high152 Ų15242.7 Ų42.771%0.7126%0.256SS*.G310 helixtrans-64.3-16175.1-64.2-177.915900113.4N81 G85N81-E83 PolarHBondContact ND2-OE2 2.82Å; N81-E83 PolarHBondContact O-N 3.46Å; N81-E83 VanDerWaalsContact O-N 3.16Å; N81-E83 WeakPolarHBondContact OD1-CB 3.5Å; N81-E83 WeakPolarHBondContact OD1-CG 3.35Å; N81-E83 PolarHBondContact OD1-N 2.96Å; E83-G85 PolarHBondContact O-N 2.84Å
84Y83.7Confident93.2Very high37 Ų3746.5 Ų46.515%0.14527%0.273CS..G310 helixtrans-76.2-7.2173-57.3-11.4000111.9Y79 N81 A82 F86 R173Y79-Y84 HydrophobicContact CD1-CD2 4.24Å; N81-Y84 HydrophobicContact CB-CD1 4.15Å; N81-Y84 HydrophobicContact CB-CD2 4.07Å; N81-Y84 HydrophobicContact CB-CE1 3.94Å; N81-Y84 HydrophobicContact CB-CE2 3.87Å; N81-Y84 HydrophobicContact CB-CG 4.21Å; N81-Y84 WeakPolarHBondContact O-CB 3.48Å; N81-Y84 PolarHBondContact O-N 2.76Å; A82-Y84 PolarHBondContact O-N 3.16Å; Y84-F86 PolarHBondContact O-N 2.96Å; Y84-R173 HydrophobicContact CE1-CG 4.06Å; Y84-R173 VanDerWaalsContact CE1-CZ 3.45Å; Y84-R173 HydrophobicContact CE2-CG 4.48Å
85G76.6Confident93.1Very high29 Ų2949.7 Ų49.730%0.29929%0.294SS..SBendtrans81.5-15.3-177.500000114.3A82 E83 Q249A82-G85 PolarHBondContact O-N 2.85Å; E83-G85 PolarHBondContact O-N 2.84Å; G85-Q249 PolarHBondContact O-OE1 2.78Å; G85-Q249 VanDerWaalsContact O-OE1 3.07Å
86F92.2Very high93.1Very high1 Ų151 Ų510%0.00430%0.301CS..  trans-135.2123.5175.3-172.3-97.2000108.8V52 I74 Y79 Y84 V91 P248V52-F86 HydrophobicContact CG2-CE2 4.17Å; V52-F86 HydrophobicContact CG2-CZ 3.8Å; I74-F86 HydrophobicContact CB-CE1 4.44Å; I74-F86 HydrophobicContact CD1-CE1 3.74Å; I74-F86 HydrophobicContact CD1-CZ 3.66Å; I74-F86 HydrophobicContact CG1-CE1 3.88Å; I74-F86 HydrophobicContact CG1-CZ 4.24Å; I74-F86 HydrophobicContact CG2-CD1 4.11Å; I74-F86 HydrophobicContact CG2-CE1 3.64Å; Y79-F86 HydrophobicContact CD1-CB 4.43Å; Y79-F86 HydrophobicContact CD1-CD1 4.23Å; Y79-F86 WeakPolarHBondContact CD1-O 3.37Å; Y79-F86 HydrophobicContact CD2-CD1 4.31Å; Y79-F86 AromaticContact CG-CD1 3.94Å; Y79-F86 HydrophobicContact CG-CD1 3.94Å; Y84-F86 PolarHBondContact O-N 2.96Å; F86-V91 HydrophobicContact CD2-CG2 4.17Å; F86-V91 HydrophobicContact CE2-CB 4.45Å; F86-V91 HydrophobicContact CE2-CG2 3.48Å; F86-V91 VanDerWaalsContact CE2-CG2 3.48Å; F86-V91 HydrophobicContact CZ-CG2 3.93Å; F86-P248 HydrophobicContact CB-CB 4.39Å; F86-P248 HydrophobicContact CB-CG 4.47Å; F86-P248 HydrophobicContact CD1-CB 4.42Å; F86-P248 HydrophobicContact CD1-CG 3.79Å; F86-P248 HydrophobicContact CD2-CB 3.54Å; F86-P248 HydrophobicContact CD2-CG 3.79Å; F86-P248 HydrophobicContact CE1-CG 3.83Å; F86-P248 HydrophobicContact CE2-CB 3.77Å; F86-P248 HydrophobicContact CE2-CG 3.81Å; F86-P248 HydrophobicContact CG-CB 3.89Å; F86-P248 HydrophobicContact CG-CG 3.77Å; F86-P248 HydrophobicContact CZ-CB 4.32Å; F86-P248 HydrophobicContact CZ-CG 3.84Å
87A94.8Very high92.9Very high4 Ų448.2 Ų48.23%0.03329%0.291CS..  trans-146.7145.3-178.500000112.4Y79 E89 S90 V91Y79-A87 CarbonylContact O-C 3.54Å; Y79-A87 VanDerWaalsContact O-CA 3.24Å; Y79-A87 WeakPolarHBondContact O-CA 3.46Å; A87-E89 PolarHBondContact O-N 2.95Å; A87-S90 PolarHBondContact O-N 3.13Å; A87-V91 WeakPolarHBondContact O-CB 3.44Å; A87-V91 PolarHBondContact O-N 2.9Å; A87-V91 VanDerWaalsContact O-N 3.12Å
88A97Very high92.7Very high3 Ų352.3 Ų52.33%0.02532%0.316CS..THydrogen-bonded Turntrans-52.8-38.1-177.100000113.7R71 I74 A75 Y79R71-A88 WeakPolarHBondContact CG-O 3.38Å; R71-A88 PolarHBondContact NH1-O 2.95Å; R71-A88 WeakPolarHBondContact O-CB 3.39Å; I74-A88 HydrophobicContact CB-CB 4.05Å; I74-A88 HydrophobicContact CG2-CB 3.83Å; A75-A88 HydrophobicContact CB-CB 3.84Å; Y79-A88 PolarHBondContact O-N 3.24Å
89E93.9Very high92.3Very high163 Ų16358.8 Ų58.876%0.76234%0.341SS*.THydrogen-bonded Turntrans-80.4-33-176.5-67.7-58.9142.500113.3R71 A87R71-E89 VanDerWaalsContact NH1-C 3.26Å; R71-E89 PolarHBondContact NH1-O 3.3Å; A87-E89 PolarHBondContact O-N 2.95Å
90S92.4Very high91.7Very high83 Ų8359.9 Ų59.958%0.5835%0.346SS*.THydrogen-bonded Turntrans-99.7-8-172.262.40000114.4A87A87-S90 PolarHBondContact O-N 3.13Å
91V95.3Very high91.1Very high3 Ų357.4 Ų57.42%0.01833%0.333CS..  trans-69.3139.7-178.176.90000111.8V52 R71 I74 F86 A87 V93V52-V91 HydrophobicContact CG2-CG2 3.85Å; R71-V91 PolarHBondContact NH1-O 3.48Å; R71-V91 PolarHBondContact NH2-O 3.44Å; I74-V91 HydrophobicContact CD1-CG1 3.92Å; F86-V91 HydrophobicContact CD2-CG2 4.17Å; F86-V91 HydrophobicContact CE2-CB 4.45Å; F86-V91 HydrophobicContact CE2-CG2 3.48Å; F86-V91 VanDerWaalsContact CE2-CG2 3.48Å; F86-V91 HydrophobicContact CZ-CG2 3.93Å; A87-V91 WeakPolarHBondContact O-CB 3.44Å; A87-V91 PolarHBondContact O-N 2.9Å; A87-V91 VanDerWaalsContact O-N 3.12Å; V91-V93 HydrophobicContact CG1-CG2 4.06Å
92G96.5Very high90.7Very high26 Ų2659.6 Ų59.627%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-77128166.300000110.1G50 S51 V52G50-G92 PolarHBondContact O-N 3.4Å; S51-G92 CarbonylContact C-O 3.47Å; S51-G92 WeakPolarHBondContact CA-O 3.19Å; V52-G92 PolarHBondContact N-O 3.41Å
93V98Very high90.4Very high18 Ų1862 Ų6211%0.10935%0.354CS..EExtended strand (participates in β ladder)trans-111.2124.8176.8-173.80000108.8V52 V70 V91 P95V52-V93 WeakPolarHBondContact O-CA 3.16Å; V70-V93 HydrophobicContact CB-CG1 4.12Å; V70-V93 HydrophobicContact CB-CG2 4.21Å; V70-V93 HydrophobicContact CG1-CG1 4.17Å; V70-V93 HydrophobicContact CG1-CG2 3.72Å; V70-V93 HydrophobicContact CG2-CG1 3.95Å; V91-V93 HydrophobicContact CG1-CG2 4.06Å; V93-P95 HydrophobicContact CG1-CG 4.42Å; V93-P95 WeakPolarHBondContact O-CD 3.46Å
94H97.7Very high90.1Very high81 Ų8158.4 Ų58.438%0.37534%0.339SS..EExtended strand (participates in β ladder)trans-121.289.6-175.4-52.3-78.7000109.9V52 H53 V54V52-H94 PolarHBondContact O-CD2 3.19Å; V52-H94 PolarHBondContact O-N 3.4Å; H53-H94 WeakPolarHBondContact CA-O 3.37Å; H53-H94 PolarHBondContact CD2-O 3.49Å; V54-H94 PolarHBondContact N-O 3.01Å
95P97Very high89.9Confident67 Ų6757.6 Ų57.644%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-74133.8172-16.732.3000111.1V54 I66 V93V54-P95 CarbonylContact O-C 3.51Å; V54-P95 WeakPolarHBondContact O-CA 3.38Å; I66-P95 HydrophobicContact CB-CG 4.32Å; I66-P95 HydrophobicContact CD1-CB 4.19Å; I66-P95 HydrophobicContact CG2-CB 4.26Å; I66-P95 HydrophobicContact CG2-CG 4.01Å; V93-P95 HydrophobicContact CG1-CG 4.42Å; V93-P95 WeakPolarHBondContact O-CD 3.46Å
96S96.5Very high89.9Confident64 Ų6461.7 Ų61.745%0.44835%0.351SS..EExtended strand (participates in β ladder)trans-143.555.2175.7-600000109.3H53 V54 F55H53-S96 WeakPolarHBondContact NE2-CB 3.27Å; H53-S96 PolarHBondContact NE2-OG 2.9Å; V54-S96 PolarHBondContact O-N 3.27Å; F55-S96 WeakPolarHBondContact CA-O 3.2Å
97V94.7Very high89Confident47 Ų4762.1 Ų62.129%0.28536%0.355SS..EExtended strand (participates in β ladder)trans-93.7136.9-178.8177.90000109.6V54 G56 I58 I66V54-V97 HydrophobicContact CG1-CG2 4.16Å; G56-V97 WeakPolarHBondContact O-CA 3.39Å; I58-V97 HydrophobicContact CB-CG1 3.71Å; I58-V97 HydrophobicContact CD1-CG1 3.83Å; I58-V97 HydrophobicContact CD1-CG2 4.44Å; I58-V97 HydrophobicContact CG1-CG1 3.59Å; I66-V97 HydrophobicContact CD1-CG2 3.88Å
98V92.7Very high88.1Confident88 Ų8862 Ų6253%0.53335%0.354SS..EExtended strand (participates in β ladder)trans-122168.5175.4-620000110.5G56 E57 I58G56-V98 PolarHBondContact O-N 2.98Å; E57-V98 CarbonylContact C-O 3.11Å; E57-V98 VanDerWaalsContact CA-O 3.27Å; E57-V98 WeakPolarHBondContact CA-O 3.31Å; E57-V98 HydrophobicContact CG-CG2 4.1Å; I58-V98 PolarHBondContact N-O 3.36Å
99E89.1Confident87.3Confident152 Ų15265.4 Ų65.471%0.7137%0.372SS*.PPolyproline II helixtrans-73.2150.2173-166.8172.5-163.400110.8S59S59-E99 VanDerWaalsContact OG-CG 3.25Å; S59-E99 WeakPolarHBondContact OG-CG 3.41Å
100Q83.6Confident86.6Confident23 Ų2362.8 Ų62.811%0.10736%0.36CS..PPolyproline II helixtrans-60.2143.9176.5-166.9-179.828.200111.5E57 S59E57-Q100 HydrophobicContact CB-CB 4.36Å; S59-Q100 WeakPolarHBondContact OG-CB 3.37Å; S59-Q100 PolarHBondContact OG-N 2.85Å
101S82.2Confident85.9Confident46 Ų4658.9 Ų58.932%0.32233%0.332SS..PPolyproline II helixtrans-56.8129.4175.5175.60000111.6D103 I104 A105S101-D103 PolarHBondContact O-N 2.83Å; S101-D103 PolarHBondContact OG-N 2.78Å; S101-I104 PolarHBondContact O-N 2.87Å; S101-I104 VanDerWaalsContact O-N 3.11Å; S101-A105 PolarHBondContact O-N 2.97Å
102P81.7Confident85.1Confident97 Ų9763.8 Ų63.863%0.6336%0.358SS*.Hα-helixtrans-61.5-28.8175.725-33.8000112.4I104 A105 Q106P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 3.29Å; P102-A105 PolarHBondContact O-N 2.89Å; P102-Q106 PolarHBondContact O-N 2.8Å; P102-Q106 VanDerWaalsContact O-N 3.08Å
103D79.1Confident84.2Confident119 Ų11964.7 Ų64.764%0.63636%0.355SS*.Hα-helixtrans-67.3-29.1178.1-64.2-25.2000112.6S101 Q106S101-D103 PolarHBondContact O-N 2.83Å; S101-D103 PolarHBondContact OG-N 2.78Å; D103-Q106 WeakPolarHBondContact O-CG 3.1Å; D103-Q106 PolarHBondContact O-NE2 2.95Å
104I77.1Confident83.1Confident76 Ų7664.8 Ų64.839%0.3936%0.356SS..Hα-helixtrans-81.5-46.9173.4-62.5175.7000109.1S101 P102 Q106 G107 V108S101-I104 PolarHBondContact O-N 2.87Å; S101-I104 VanDerWaalsContact O-N 3.11Å; P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 3.29Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-Q106 PolarHBondContact O-N 3.32Å; I104-G107 PolarHBondContact O-N 3.31Å; I104-V108 HydrophobicContact CG2-CG2 4.03Å; I104-V108 WeakPolarHBondContact O-CG2 3.34Å; I104-V108 PolarHBondContact O-N 3.03Å
105A78.6Confident82Confident20 Ų2065.9 Ų65.917%0.16536%0.357CS..Hα-helixtrans-54.1-42.9-177.800000112.3S101 P102 G107 V108 N109S101-A105 PolarHBondContact O-N 2.97Å; P102-A105 PolarHBondContact O-N 2.89Å; A105-G107 PolarHBondContact O-N 3.15Å; A105-G107 VanDerWaalsContact O-N 3.14Å; A105-V108 PolarHBondContact O-N 3Å; A105-N109 WeakPolarHBondContact O-CB 3.26Å; A105-N109 PolarHBondContact O-N 3.17Å; A105-N109 PolarHBondContact O-ND2 3.06Å; A105-N109 PolarHBondContact O-OD1 2.94Å
106Q78.2Confident80.6Confident115 Ų11566.2 Ų66.254%0.53737%0.373SS..Hα-helixtrans-61.6-21.8176.964.11731000114.5P102 D103 I104 R115P102-Q106 PolarHBondContact O-N 2.8Å; P102-Q106 VanDerWaalsContact O-N 3.08Å; D103-Q106 WeakPolarHBondContact O-CG 3.1Å; D103-Q106 PolarHBondContact O-NE2 2.95Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-Q106 PolarHBondContact O-N 3.32Å; Q106-R115 VanDerWaalsContact C-NH2 3.25Å; Q106-R115 PolarHBondContact O-NH2 3.33Å
107G73.6Confident79.2Confident9 Ų968.4 Ų68.49%0.09338%0.379CS..Hα-helixtrans-92.5-27.7177.400000114.4I104 A105 G316I104-G107 PolarHBondContact O-N 3.31Å; A105-G107 PolarHBondContact O-N 3.15Å; A105-G107 VanDerWaalsContact O-N 3.14Å; G107-G316 WeakPolarHBondContact O-CA 3.3Å
108V75.8Confident77.5Confident2 Ų270.8 Ų70.81%0.01240%0.404CS..Hα-helixtrans-81.2-40.3174.9-173.80000110.6I104 A105 I126 G127 T281I104-V108 HydrophobicContact CG2-CG2 4.03Å; I104-V108 WeakPolarHBondContact O-CG2 3.34Å; I104-V108 PolarHBondContact O-N 3.03Å; A105-V108 PolarHBondContact O-N 3Å; V108-I126 HydrophobicContact CG1-CG2 4.2Å; V108-I126 VanDerWaalsContact O-CA 3.31Å; V108-I126 WeakPolarHBondContact O-CA 3.45Å; V108-G127 PolarHBondContact O-N 2.99Å; V108-T281 HydrophobicContact CG1-CG2 4.46Å
109N79.2Confident75.9Confident75 Ų7574.9 Ų74.940%0.40142%0.423SS..SBendtrans-79.1-25.4-174.3-62.2-9.8000113.1H40 A105 L125H40-N109 PolarHBondContact NE2-OD1 2.69Å; A105-N109 WeakPolarHBondContact O-CB 3.26Å; A105-N109 PolarHBondContact O-N 3.17Å; A105-N109 PolarHBondContact O-ND2 3.06Å; A105-N109 PolarHBondContact O-OD1 2.94Å; N109-L125 CarbonylContact C-O 3.49Å; N109-L125 WeakPolarHBondContact O-CD1 3.5Å; N109-L125 WeakPolarHBondContact O-CG 3.43Å
110E78.7Confident75.1Confident108 Ų10871.3 Ų71.351%0.50541%0.406SS..SBendtrans-137.998.7174.9-66.6-177.4-173.300108.8R115 L125E110-R115 HydrophobicContact CB-CG 4.16Å; E110-R115 WeakPolarHBondContact O-CG 3.19Å; E110-R115 PolarHBondContact O-NE 3.31Å; E110-L125 WeakPolarHBondContact CA-O 3.44Å
111A78.1Confident75.1Confident0 Ų073.5 Ų73.50%042%0.419CS..  trans-60.7159.9176.500000111.8E113 V114 R115 D124 L125 G316 A318A111-E113 WeakPolarHBondContact CB-OE2 3.34Å; A111-E113 PolarHBondContact O-N 3.21Å; A111-E113 VanDerWaalsContact O-N 3.13Å; A111-V114 PolarHBondContact O-N 2.99Å; A111-R115 WeakPolarHBondContact O-CG 3.38Å; A111-R115 PolarHBondContact O-N 2.91Å; A111-D124 WeakPolarHBondContact CB-O 3.44Å; A111-L125 PolarHBondContact N-O 3.06Å; A111-G316 CarbonylContact C-O 3.58Å; A111-G316 WeakPolarHBondContact CA-O 3.27Å; A111-A318 HydrophobicContact CB-CB 4.11Å
112L78.5Confident75.2Confident107 Ų10776.4 Ų76.456%0.5644%0.436SS*.THydrogen-bonded Turntrans-52.3-36.6177.8-176.864.3000112.5V114 G316 V317L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 2.9Å; L112-G316 WeakPolarHBondContact CB-O 3.35Å; L112-G316 PolarHBondContact N-O 2.83Å; L112-V317 HydrophobicContact CB-CG2 4.42Å; L112-V317 HydrophobicContact CD2-CG2 4.17Å
113E77.3Confident75.4Confident45 Ų4573.5 Ų73.521%0.2142%0.415CS..THydrogen-bonded Turntrans-58.8-43.3178.4-67.288.4159.200111.9A111 Q120 D124 V317 A318 Q319A111-E113 WeakPolarHBondContact CB-OE2 3.34Å; A111-E113 PolarHBondContact O-N 3.21Å; A111-E113 VanDerWaalsContact O-N 3.13Å; E113-Q120 PolarHBondContact O-NE2 3.43Å; E113-Q120 PolarHBondContact O-OE1 2.83Å; E113-D124 HydrophobicContact CB-CB 4.09Å; E113-V317 VanDerWaalsContact OE1-CG1 3.24Å; E113-V317 WeakPolarHBondContact OE1-CG1 3.3Å; E113-A318 PolarHBondContact OE1-N 3.38Å; E113-A318 PolarHBondContact OE2-N 3.44Å; E113-Q319 PolarHBondContact OE1-N 3.3Å; E113-Q319 VanDerWaalsContact OE1-N 3.13Å
114V76.5Confident75.7Confident20 Ų2068.9 Ų68.912%0.12139%0.39CS..THydrogen-bonded Turntrans-92.3-22-174.7-173.70000113A111 L112 G116 N117 Q120 D124 L125A111-V114 PolarHBondContact O-N 2.99Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 2.9Å; V114-G116 PolarHBondContact O-N 3.46Å; V114-N117 CarbonylContact O-C 3.54Å; V114-N117 PolarHBondContact O-N 3.44Å; V114-N117 VanDerWaalsContact O-O 3.12Å; V114-Q120 HydrophobicContact CG2-CB 4.11Å; V114-D124 HydrophobicContact CG2-CB 3.78Å; V114-D124 WeakPolarHBondContact CG2-O 3.38Å; V114-L125 HydrophobicContact CG1-CD1 4.3Å
115R74.7Confident76Confident103 Ų10369 Ų6939%0.38939%0.392SS..THydrogen-bonded Turntrans-54.7110-179.8-80.8174.1-178.8-163.3-15.6111.9Q106 E110 A111Q106-R115 VanDerWaalsContact C-NH2 3.25Å; Q106-R115 PolarHBondContact O-NH2 3.33Å; E110-R115 HydrophobicContact CB-CG 4.16Å; E110-R115 WeakPolarHBondContact O-CG 3.19Å; E110-R115 PolarHBondContact O-NE 3.31Å; A111-R115 WeakPolarHBondContact O-CG 3.38Å; A111-R115 PolarHBondContact O-N 2.91Å
116G66.8Low76.1Confident75 Ų7569.4 Ų69.477%0.77339%0.391SS*.THydrogen-bonded Turntrans912.217900000115.7V114V114-G116 PolarHBondContact O-N 3.46Å
117N66.3Low76.2Confident109 Ų10964 Ų6458%0.58337%0.365SS*.  trans-147.2105.8174.8-77.4-43000111.4V114 D119V114-N117 CarbonylContact O-C 3.54Å; V114-N117 PolarHBondContact O-N 3.44Å; V114-N117 VanDerWaalsContact O-O 3.12Å; N117-D119 VanDerWaalsContact C-N 3.32Å; N117-D119 PolarHBondContact O-N 3.46Å
118A59.2Low76.4Confident97 Ų9763.5 Ų63.580%0.80236%0.361SS*.SBendtrans-74.9-11.9-176.300000115.4Q120A118-Q120 VanDerWaalsContact C-N 3.27Å; A118-Q120 PolarHBondContact O-N 2.79Å
119D59.8Low76.3Confident174 Ų17464 Ų6493%0.9337%0.366SS*.SBendtrans-8735.9-174.8-74.4-25.6000113.8N117N117-D119 VanDerWaalsContact C-N 3.32Å; N117-D119 PolarHBondContact O-N 3.46Å
120Q72.7Confident76.6Confident77 Ų7764.4 Ų64.436%0.3637%0.368SS..SBendtrans-110164.8-176.6-68.9-159.37.300114E113 V114 A118E113-Q120 PolarHBondContact O-NE2 3.43Å; E113-Q120 PolarHBondContact O-OE1 2.83Å; V114-Q120 HydrophobicContact CG2-CB 4.11Å; A118-Q120 VanDerWaalsContact C-N 3.27Å; A118-Q120 PolarHBondContact O-N 2.79Å
121D83.3Confident77Confident70 Ų7065.7 Ų65.737%0.37437%0.374SS..  trans-53.4125.2179.1-178.5-10.3000109.7L123 D124 R349D121-L123 PolarHBondContact O-N 3.43Å; D121-L123 PolarHBondContact OD1-N 3.25Å; D121-D124 WeakPolarHBondContact O-CB 3.41Å; D121-D124 PolarHBondContact O-N 2.9Å; D121-R349 VanDerWaalsContact CG-NH1 3.32Å; D121-R349 IonicContact OD2-CZ 3.52Å; D121-R349 VanDerWaalsContact OD2-CZ 3.28Å; D121-R349 IonicContact OD2-NH1 3.28Å; D121-R349 PolarHBondContact OD2-NH1 3.34Å; D121-R349 IonicContact OD2-NH2 2.67Å; D121-R349 PolarHBondContact OD2-NH2 2.67Å
122P83.7Confident77.6Confident106 Ų10666.6 Ų66.669%0.68838%0.384SS*.G310 helixtrans-52.5-24.4178.6-28.635.2000114.5D124 L125P122-D124 VanDerWaalsContact C-N 3.3Å; P122-L125 VanDerWaalsContact O-CB 3.24Å; P122-L125 WeakPolarHBondContact O-CB 3.21Å; P122-L125 PolarHBondContact O-N 3.21Å
123L87.1Confident78.4Confident37 Ų3765 Ų6519%0.19438%0.376CS..G310 helixtrans-77-14177.6-63.4179.2000113.9D121 L125 D347 R349 A351D121-L123 PolarHBondContact O-N 3.43Å; D121-L123 PolarHBondContact OD1-N 3.25Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-D347 VanDerWaalsContact CD1-OD2 3.28Å; L123-D347 WeakPolarHBondContact CD1-OD2 3.08Å; L123-R349 VanDerWaalsContact CB-NH2 3.32Å; L123-A351 HydrophobicContact CD2-CB 4.02Å; L123-A351 WeakPolarHBondContact O-CB 3.31Å
124D85.4Confident79.4Confident21 Ų2163 Ų6311%0.11237%0.366CS..G310 helixtrans-82.8-8.6170.1-67.7-31.4000112.3A111 E113 V114 D121 P122 I126 R349A111-D124 WeakPolarHBondContact CB-O 3.44Å; E113-D124 HydrophobicContact CB-CB 4.09Å; V114-D124 HydrophobicContact CG2-CB 3.78Å; V114-D124 WeakPolarHBondContact CG2-O 3.38Å; D121-D124 WeakPolarHBondContact O-CB 3.41Å; D121-D124 PolarHBondContact O-N 2.9Å; P122-D124 VanDerWaalsContact C-N 3.3Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 2.7Å; D124-R349 VanDerWaalsContact CG-NH1 3.26Å; D124-R349 WeakPolarHBondContact OD1-CD 3.46Å; D124-R349 IonicContact OD1-CZ 2.74Å; D124-R349 IonicContact OD1-NE 2.85Å; D124-R349 IonicContact OD1-NH1 3.92Å; D124-R349 PolarHBondContact OD1-NH1 2.98Å; D124-R349 IonicContact OD2-NH1 3.63Å; D124-R349 PolarHBondContact OD2-NH1 3.12Å
125L82Confident80.5Confident79 Ų7962.9 Ų62.941%0.41436%0.364SS..SBendtrans-61.8-38.8-174.9-174.566000112.7N109 E110 A111 V114 P122 L123N109-L125 CarbonylContact C-O 3.49Å; N109-L125 WeakPolarHBondContact O-CD1 3.5Å; N109-L125 WeakPolarHBondContact O-CG 3.43Å; E110-L125 WeakPolarHBondContact CA-O 3.44Å; A111-L125 PolarHBondContact N-O 3.06Å; V114-L125 HydrophobicContact CG1-CD1 4.3Å; P122-L125 VanDerWaalsContact O-CB 3.24Å; P122-L125 WeakPolarHBondContact O-CB 3.21Å; P122-L125 PolarHBondContact O-N 3.21Å; L123-L125 VanDerWaalsContact C-N 3.32Å
126I81.5Confident81.6Confident29 Ų2958 Ų5815%0.14935%0.345CS..SBendtrans-94.9111.8-174.8-55.3179.9000110.4V108 D124 T281 P350 A351 I354V108-I126 HydrophobicContact CG1-CG2 4.2Å; V108-I126 VanDerWaalsContact O-CA 3.31Å; V108-I126 WeakPolarHBondContact O-CA 3.45Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 2.7Å; I126-T281 HydrophobicContact CG2-CG2 4.42Å; I126-P350 HydrophobicContact CB-CB 4.42Å; I126-P350 HydrophobicContact CG2-CB 3.91Å; I126-A351 HydrophobicContact CB-CB 4.12Å; I126-A351 HydrophobicContact CD1-CB 4.01Å; I126-A351 HydrophobicContact CG1-CB 4.14Å; I126-I354 HydrophobicContact CD1-CD1 4.47Å
127G79.7Confident83.2Confident0 Ų054.5 Ų54.50%031%0.309CS..  trans-77.9157.6171.300000111.4V108 G129V108-G127 PolarHBondContact O-N 2.99Å; G127-G129 PolarHBondContact O-N 3.42Å
128A78.1Confident84.7Confident0 Ų049.3 Ų49.30%028%0.281CS..  trans-58.1129.4173.100000110.8D130 V283 Y313 G316 V317 P350A128-D130 WeakPolarHBondContact CB-O 3.41Å; A128-D130 PolarHBondContact O-N 3.14Å; A128-V283 HydrophobicContact CB-CG1 3.82Å; A128-V283 HydrophobicContact CB-CG2 4.11Å; A128-Y313 HydrophobicContact CB-CD1 4.12Å; A128-Y313 HydrophobicContact CB-CG 4.15Å; A128-G316 PolarHBondContact O-N 3.22Å; A128-V317 PolarHBondContact N-O 2.65Å; A128-P350 HydrophobicContact CB-CG 4.44Å
129G74.6Confident86.6Confident12 Ų1245 Ų4512%0.12424%0.244CC..SBendtrans-60.6-24.2-178.600000115.1G127G127-G129 PolarHBondContact O-N 3.42Å
130D83.6Confident88.4Confident83 Ų8340 Ų4044%0.44422%0.218SC..SBendtrans-153168.3174.3-161.2-2000108.5A128A128-D130 WeakPolarHBondContact CB-O 3.41Å; A128-D130 PolarHBondContact O-N 3.14Å
131Q87.4Confident89.6Confident136 Ų13637.3 Ų37.364%0.63621%0.205SC*.  trans-66.8153.9161.665.5175.724.500109.5Y313Q131-Y313 WeakPolarHBondContact CA-O 3.41Å
132G92Very high90.3Very high19 Ų1934.4 Ų34.420%0.19619%0.19CC..EExtended strand (participates in β ladder)trans177172.7169.100000114.4M134 A312 Y313G132-M134 VanDerWaalsContact C-CE 3.43Å; G132-M134 VanDerWaalsContact CA-CE 3.49Å; G132-A312 CarbonylContact O-C 3.6Å; G132-A312 VanDerWaalsContact O-CA 3.24Å; G132-A312 WeakPolarHBondContact O-CA 3.41Å; G132-Y313 PolarHBondContact N-O 3.33Å; G132-Y313 VanDerWaalsContact N-O 3.1Å; G132-Y313 PolarHBondContact O-N 2.97Å
133L95Very high91Very high74 Ų7435.4 Ų35.439%0.38720%0.197SC..EExtended strand (participates in β ladder)trans-127.9132.817762.2113.6000108.1F135 G271 L311L133-F135 HydrophobicContact CD1-CD2 4.2Å; L133-F135 HydrophobicContact CD1-CE2 3.48Å; L133-F135 VanDerWaalsContact CD1-CE2 3.48Å; L133-F135 HydrophobicContact CD1-CZ 4.34Å; L133-G271 VanDerWaalsContact CD1-CA 3.49Å; L133-G271 WeakPolarHBondContact O-CA 3.48Å; L133-L311 CarbonylContact C-O 3.48Å; L133-L311 WeakPolarHBondContact CA-O 3.39Å
134M98.4Very high91.5Very high1 Ų134.2 Ų34.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-130143.6-173.4-61.382.8-154.800109.2G132 V283 A287 S288 Q310 L311 Y313G132-M134 VanDerWaalsContact C-CE 3.43Å; G132-M134 VanDerWaalsContact CA-CE 3.49Å; M134-V283 HydrophobicContact CE-CB 4.22Å; M134-V283 HydrophobicContact CE-CG2 3.75Å; M134-A287 HydrophobicContact CB-CB 4.31Å; M134-A287 HydrophobicContact CG-CB 3.94Å; M134-A287 HydrophobicContact SD-CB 4.02Å; M134-S288 WeakPolarHBondContact CG-OG 3.24Å; M134-Q310 WeakPolarHBondContact O-CA 3.37Å; M134-L311 HydrophobicContact CB-CB 4.49Å; M134-L311 PolarHBondContact N-O 3.42Å; M134-L311 PolarHBondContact O-N 3.06Å; M134-Y313 HydrophobicContact SD-CD2 3.88Å; M134-Y313 HydrophobicContact SD-CE2 4.23Å
135F98.8Very high92.1Very high18 Ų1834.3 Ų34.38%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-124.9132179.4-70.7-84.1000111.1L133 R269 E308 V309 Q310L133-F135 HydrophobicContact CD1-CD2 4.2Å; L133-F135 HydrophobicContact CD1-CE2 3.48Å; L133-F135 VanDerWaalsContact CD1-CE2 3.48Å; L133-F135 HydrophobicContact CD1-CZ 4.34Å; F135-R269 VanDerWaalsContact CB-O 3.29Å; F135-R269 WeakPolarHBondContact CB-O 3.45Å; F135-R269 HydrophobicContact CD1-CB 3.77Å; F135-R269 HydrophobicContact CD2-CB 3.81Å; F135-R269 HydrophobicContact CE1-CB 3.72Å; F135-R269 HydrophobicContact CE1-CG 4.34Å; F135-R269 HydrophobicContact CE2-CB 3.72Å; F135-R269 HydrophobicContact CG-CB 3.81Å; F135-R269 HydrophobicContact CZ-CB 3.69Å; F135-R269 HydrophobicContact CZ-CG 4.4Å; F135-E308 HydrophobicContact CD1-CG 3.95Å; F135-V309 CarbonylContact C-O 3.38Å; F135-V309 VanDerWaalsContact CA-O 3.32Å; F135-V309 WeakPolarHBondContact CA-O 3.22Å; F135-Q310 HydrophobicContact CD1-CB 3.93Å; F135-Q310 HydrophobicContact CD1-CG 4.11Å; F135-Q310 HydrophobicContact CE1-CB 3.68Å; F135-Q310 HydrophobicContact CE1-CG 3.59Å; F135-Q310 HydrophobicContact CZ-CB 4.47Å; F135-Q310 HydrophobicContact CZ-CG 3.89Å
136G98.8Very high92.9Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-109.4141.7170.600000110.2Y264 A291 E308 V309G136-Y264 WeakPolarHBondContact CA-OH 3.39Å; G136-A291 VanDerWaalsContact CA-CB 3.48Å; G136-A291 VanDerWaalsContact N-CB 3.31Å; G136-E308 CarbonylContact O-C 3.58Å; G136-E308 VanDerWaalsContact O-CA 3.24Å; G136-E308 WeakPolarHBondContact O-CA 3.21Å; G136-V309 PolarHBondContact N-O 3.44Å; G136-V309 PolarHBondContact O-N 2.94Å
137F98.9Very high93.7Very high2 Ų229.3 Ų29.31%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-141.6146.3178-168.9-97.5000111.9I139 P147 Y264 Y267 A268 R292 K306 A307 E308 F328F137-I139 HydrophobicContact CD1-CG2 4.47Å; F137-I139 HydrophobicContact CE1-CB 3.75Å; F137-I139 HydrophobicContact CE1-CG2 3.72Å; F137-I139 HydrophobicContact CZ-CB 4.23Å; F137-P147 HydrophobicContact CD1-CG 4.07Å; F137-P147 HydrophobicContact CE1-CG 3.94Å; F137-Y264 HydrophobicContact CB-CD1 3.77Å; F137-Y264 HydrophobicContact CB-CD2 3.93Å; F137-Y264 HydrophobicContact CB-CE1 3.7Å; F137-Y264 HydrophobicContact CB-CE2 3.87Å; F137-Y264 HydrophobicContact CB-CG 3.88Å; F137-Y264 HydrophobicContact CD1-CD1 4.47Å; F137-Y264 PolarHBondContact N-OH 3.42Å; F137-Y264 WeakPolarHBondContact O-CE1 3.45Å; F137-Y267 AromaticContact CE1-CD1 3.67Å; F137-Y267 HydrophobicContact CE1-CD1 3.67Å; F137-Y267 AromaticContact CE1-CE1 3.93Å; F137-Y267 HydrophobicContact CE1-CE1 3.93Å; F137-Y267 AromaticContact CZ-CD1 3.69Å; F137-Y267 HydrophobicContact CZ-CD1 3.69Å; F137-Y267 AromaticContact CZ-CE1 3.73Å; F137-Y267 HydrophobicContact CZ-CE1 3.73Å; F137-A268 HydrophobicContact CB-CB 3.6Å; F137-A268 HydrophobicContact CD1-CB 4.22Å; F137-A268 HydrophobicContact CD2-CB 3.58Å; F137-A268 HydrophobicContact CE2-CB 4.3Å; F137-A268 HydrophobicContact CG-CB 3.54Å; F137-R292 WeakPolarHBondContact O-CD 3.1Å; F137-R292 PolarHBondContact O-NH1 3.46Å; F137-K306 HydrophobicContact CZ-CB 4.24Å; F137-A307 WeakPolarHBondContact CA-O 3.45Å; F137-A307 WeakPolarHBondContact CD2-O 3.32Å; F137-E308 HydrophobicContact CD2-CB 3.85Å; F137-E308 HydrophobicContact CD2-CG 4.27Å; F137-E308 HydrophobicContact CE2-CB 4.35Å; F137-F328 AromaticContact CE2-CE2 3.81Å; F137-F328 HydrophobicContact CE2-CE2 3.81Å; F137-F328 HydrophobicContact CE2-CZ 4.28Å
138A98.9Very high94.6Very high0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-148.1150.1168.200000111L145 A295 K296 V299 K306 A307A138-L145 WeakPolarHBondContact CA-O 3.45Å; A138-L145 HydrophobicContact CB-CB 4.36Å; A138-A295 VanDerWaalsContact CB-C 3.49Å; A138-A295 HydrophobicContact CB-CB 4.07Å; A138-A295 WeakPolarHBondContact CB-O 3.23Å; A138-K296 HydrophobicContact CB-CB 4.26Å; A138-V299 HydrophobicContact CB-CB 4.19Å; A138-V299 HydrophobicContact CB-CG2 3.82Å; A138-K306 CarbonylContact O-C 3.58Å; A138-K306 VanDerWaalsContact O-CA 3.27Å; A138-K306 WeakPolarHBondContact O-CA 3.25Å; A138-A307 PolarHBondContact N-O 2.95Å; A138-A307 PolarHBondContact O-N 3.34Å
139I98.8Very high95.6Very high6 Ų629.5 Ų29.53%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-152146.3178.5-176.4161.4000110.9F137 E141 L145 P147 Y267 T305 K306F137-I139 HydrophobicContact CD1-CG2 4.47Å; F137-I139 HydrophobicContact CE1-CB 3.75Å; F137-I139 HydrophobicContact CE1-CG2 3.72Å; F137-I139 HydrophobicContact CZ-CB 4.23Å; I139-E141 HydrophobicContact CD1-CG 3.91Å; I139-E141 WeakPolarHBondContact CD1-OE1 3.37Å; I139-E141 HydrophobicContact CG1-CB 4.44Å; I139-E141 HydrophobicContact CG1-CG 3.91Å; I139-E141 HydrophobicContact CG2-CB 4.38Å; I139-E141 PolarHBondContact O-N 2.86Å; I139-E141 VanDerWaalsContact O-N 3.13Å; I139-L145 PolarHBondContact N-O 3.39Å; I139-L145 CarbonylContact O-C 3.6Å; I139-L145 WeakPolarHBondContact O-CA 3.43Å; I139-P147 HydrophobicContact CG2-CB 4.32Å; I139-P147 HydrophobicContact CG2-CG 4.06Å; I139-P147 VanDerWaalsContact CG2-N 3.33Å; I139-Y267 HydrophobicContact CD1-CE1 4.02Å; I139-Y267 WeakPolarHBondContact CD1-OH 3.22Å; I139-T305 CarbonylContact C-O 3.59Å; I139-T305 WeakPolarHBondContact CA-O 3.25Å; I139-K306 HydrophobicContact CB-CB 3.94Å; I139-K306 HydrophobicContact CD1-CB 3.89Å; I139-K306 HydrophobicContact CD1-CD 3.95Å; I139-K306 HydrophobicContact CG1-CB 3.79Å
140D98.1Very high96.8Very high69 Ų6929 Ų2937%0.36916%0.16SC..THydrogen-bonded Turntrans-78.119.5-177.273.5-8.1000115.8K189 V299 T305D140-K189 IonicContact OD1-NZ 2.85Å; D140-K189 PolarHBondContact OD1-NZ 3.35Å; D140-K189 IonicContact OD2-NZ 3.77Å; D140-V299 HydrophobicContact CB-CG1 4.33Å; D140-T305 PolarHBondContact N-O 2.7Å; D140-T305 WeakPolarHBondContact OD2-CB 3.39Å; D140-T305 WeakPolarHBondContact OD2-CG2 3.39Å
141E97.9Very high97.5Very high21 Ų2125.2 Ų25.210%0.09814%0.14CC..THydrogen-bonded Turntrans-74.8-26.3179.9-77.5178.5-154.400113.7I139 L148 Y184 P190 Y267I139-E141 HydrophobicContact CD1-CG 3.91Å; I139-E141 WeakPolarHBondContact CD1-OE1 3.37Å; I139-E141 HydrophobicContact CG1-CB 4.44Å; I139-E141 HydrophobicContact CG1-CG 3.91Å; I139-E141 HydrophobicContact CG2-CB 4.38Å; I139-E141 PolarHBondContact O-N 2.86Å; I139-E141 VanDerWaalsContact O-N 3.13Å; E141-L148 HydrophobicContact CB-CB 4.38Å; E141-L148 WeakPolarHBondContact OE2-CB 3.34Å; E141-L148 PolarHBondContact OE2-N 3.5Å; E141-Y184 VanDerWaalsContact OE1-CE1 3.31Å; E141-Y184 WeakPolarHBondContact OE1-CE1 3.41Å; E141-Y184 PolarHBondContact OE2-OH 2.97Å; E141-P190 HydrophobicContact CB-CG 4.28Å; E141-P190 HydrophobicContact CG-CG 3.68Å; E141-P190 WeakPolarHBondContact OE2-CG 3.25Å; E141-Y267 PolarHBondContact OE1-OH 2.78Å
142T98.3Very high98Very high10 Ų1018.9 Ų18.96%0.06111%0.111CC..SBendtrans-135.4155.2-17761.20000111.4E144 L145 M146 L148T142-E144 WeakPolarHBondContact CB-OE2 3.5Å; T142-E144 PolarHBondContact O-N 3Å; T142-L145 WeakPolarHBondContact O-CA 3.23Å; T142-L145 PolarHBondContact O-N 3.5Å; T142-M146 WeakPolarHBondContact CG2-O 3.28Å; T142-M146 WeakPolarHBondContact OG1-CA 3.18Å; T142-M146 PolarHBondContact OG1-N 3.25Å; T142-M146 PolarHBondContact OG1-O 2.73Å; T142-L148 HydrophobicContact CG2-CB 4.22Å; T142-L148 HydrophobicContact CG2-CD1 3.69Å
143P97.1Very high98.4Very high127 Ų12718 Ų1883%0.82510%0.101SC*.THydrogen-bonded Turntrans-55.8-32.5178-26.835.5000114.4L145P143-L145 PolarHBondContact O-N 2.98Å
144E98Very high98.5Very high12 Ų1215.1 Ų15.16%0.0569%0.086CC..THydrogen-bonded Turntrans-81.15.3176.264.2-94.2-141.200114.2T142 M146 S151 K155 R292 G374 T376T142-E144 WeakPolarHBondContact CB-OE2 3.5Å; T142-E144 PolarHBondContact O-N 3Å; E144-M146 HydrophobicContact CG-CB 3.86Å; E144-M146 HydrophobicContact CG-CG 3.78Å; E144-S151 WeakPolarHBondContact OE1-CB 3.27Å; E144-S151 PolarHBondContact OE1-OG 3.25Å; E144-K155 WeakPolarHBondContact OE1-CE 3.41Å; E144-K155 IonicContact OE1-NZ 3.34Å; E144-K155 PolarHBondContact OE1-NZ 3Å; E144-K155 IonicContact OE2-NZ 2.7Å; E144-R292 PolarHBondContact O-NH2 3.11Å; E144-G374 WeakPolarHBondContact CB-O 3.32Å; E144-G374 WeakPolarHBondContact CG-O 3.4Å; E144-T376 HydrophobicContact CB-CG2 4.02Å
145L98.7Very high98.5Very high22 Ų2219 Ų1912%0.11510%0.102CC..SBendtrans58.942.6-179-55.1178.6000113.8A138 I139 T142 P143 R292 K296 V299 A300 L385A138-L145 WeakPolarHBondContact CA-O 3.45Å; A138-L145 HydrophobicContact CB-CB 4.36Å; I139-L145 PolarHBondContact N-O 3.39Å; I139-L145 CarbonylContact O-C 3.6Å; I139-L145 WeakPolarHBondContact O-CA 3.43Å; T142-L145 WeakPolarHBondContact O-CA 3.23Å; T142-L145 PolarHBondContact O-N 3.5Å; P143-L145 PolarHBondContact O-N 2.98Å; L145-R292 PolarHBondContact O-NH1 3.05Å; L145-K296 HydrophobicContact CB-CG 4.16Å; L145-K296 HydrophobicContact CD1-CG 3.7Å; L145-K296 HydrophobicContact CG-CG 4.48Å; L145-V299 HydrophobicContact CD1-CG1 4.42Å; L145-V299 HydrophobicContact CD2-CG1 4.05Å; L145-A300 HydrophobicContact CD1-CB 3.97Å; L145-L385 HydrophobicContact CD1-CD2 4.42Å
146M98.8Very high98.6Very high3 Ų318.1 Ų18.12%0.01510%0.099CC..  trans-117.6155.7178.8-73-65.7-77.100112.1T142 E144 L148 I150 T263 Y264 R292 M373T142-M146 WeakPolarHBondContact CG2-O 3.28Å; T142-M146 WeakPolarHBondContact OG1-CA 3.18Å; T142-M146 PolarHBondContact OG1-N 3.25Å; T142-M146 PolarHBondContact OG1-O 2.73Å; E144-M146 HydrophobicContact CG-CB 3.86Å; E144-M146 HydrophobicContact CG-CG 3.78Å; M146-L148 PolarHBondContact O-N 3.06Å; M146-I150 HydrophobicContact CE-CG2 4.11Å; M146-T263 WeakPolarHBondContact CE-O 3.48Å; M146-Y264 HydrophobicContact CE-CD1 4Å; M146-Y264 HydrophobicContact SD-CD1 4.17Å; M146-Y264 HydrophobicContact SD-CE1 4.29Å; M146-R292 VanDerWaalsContact SD-CZ 3.57Å; M146-R292 PolarHBondContact SD-NH1 3.49Å; M146-R292 VanDerWaalsContact SD-NH1 3.44Å; M146-M373 HydrophobicContact CE-CB 3.85Å; M146-M373 HydrophobicContact SD-CB 3.8Å
147P98.7Very high98.5Very high0 Ų018.1 Ų18.10%010%0.099CC..  trans-58.1133.9169.3-16.427.1000111F137 I139 P149 I150 S151 Y267F137-P147 HydrophobicContact CD1-CG 4.07Å; F137-P147 HydrophobicContact CE1-CG 3.94Å; I139-P147 HydrophobicContact CG2-CB 4.32Å; I139-P147 HydrophobicContact CG2-CG 4.06Å; I139-P147 VanDerWaalsContact CG2-N 3.33Å; P147-P149 VanDerWaalsContact C-CD 3.44Å; P147-I150 HydrophobicContact CB-CG2 4.04Å; P147-I150 HydrophobicContact CG-CG2 4.16Å; P147-I150 WeakPolarHBondContact O-CG2 3.18Å; P147-S151 WeakPolarHBondContact O-CB 3.43Å; P147-S151 PolarHBondContact O-N 3.18Å; P147-Y267 HydrophobicContact CB-CD1 4.09Å; P147-Y267 HydrophobicContact CB-CD2 3.59Å; P147-Y267 HydrophobicContact CB-CE2 4.05Å; P147-Y267 HydrophobicContact CB-CG 3.58Å; P147-Y267 HydrophobicContact CG-CD1 3.88Å; P147-Y267 HydrophobicContact CG-CD2 4.21Å; P147-Y267 HydrophobicContact CG-CG 3.66Å
148L98.7Very high98.5Very high5 Ų520.5 Ų20.53%0.02611%0.109CC..Hα-helixtrans-56.7-43.8-176-176.268.9000113.9E141 T142 M146 I150 S151 L152 V182 P190 Y228E141-L148 HydrophobicContact CB-CB 4.38Å; E141-L148 WeakPolarHBondContact OE2-CB 3.34Å; E141-L148 PolarHBondContact OE2-N 3.5Å; T142-L148 HydrophobicContact CG2-CB 4.22Å; T142-L148 HydrophobicContact CG2-CD1 3.69Å; M146-L148 PolarHBondContact O-N 3.06Å; L148-I150 PolarHBondContact O-N 3.26Å; L148-S151 PolarHBondContact O-N 3.27Å; L148-L152 HydrophobicContact CD1-CD1 3.94Å; L148-L152 HydrophobicContact CD1-CD2 4.23Å; L148-L152 HydrophobicContact CD1-CG 3.88Å; L148-L152 HydrophobicContact CD2-CD1 4.37Å; L148-L152 HydrophobicContact CG-CD1 3.85Å; L148-L152 HydrophobicContact CG-CG 4.15Å; L148-L152 WeakPolarHBondContact O-CG 3.37Å; L148-L152 PolarHBondContact O-N 3.3Å; L148-V182 HydrophobicContact CD2-CG1 4.18Å; L148-V182 HydrophobicContact CD2-CG2 4.34Å; L148-P190 HydrophobicContact CB-CG 4.2Å; L148-P190 HydrophobicContact CD2-CB 3.52Å; L148-P190 HydrophobicContact CD2-CG 3.95Å; L148-Y228 HydrophobicContact CD1-CE2 3.89Å; L148-Y228 HydrophobicContact CD2-CD1 4.46Å; L148-Y228 HydrophobicContact CD2-CD2 4.11Å; L148-Y228 HydrophobicContact CD2-CE1 4.12Å; L148-Y228 HydrophobicContact CD2-CE2 3.71Å; L148-Y228 HydrophobicContact CD2-CG 4.46Å; L148-Y228 HydrophobicContact CG-CE2 4.48Å
149P98.7Very high98.5Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-60.6-46.6-175-23.433.3000113F7 P147 S153 V182 Y184F7-P149 HydrophobicContact CD1-CB 4.38Å; F7-P149 HydrophobicContact CD1-CG 4Å; P147-P149 VanDerWaalsContact C-CD 3.44Å; P149-S153 WeakPolarHBondContact O-CB 3.18Å; P149-S153 PolarHBondContact O-N 2.85Å; P149-S153 PolarHBondContact O-OG 2.96Å; P149-S153 VanDerWaalsContact O-OG 3.12Å; P149-V182 HydrophobicContact CB-CG2 4.09Å; P149-V182 HydrophobicContact CG-CB 3.95Å; P149-V182 HydrophobicContact CG-CG2 3.69Å; P149-Y184 WeakPolarHBondContact CD-OH 3.36Å; P149-Y184 HydrophobicContact CG-CE2 4.3Å; P149-Y184 WeakPolarHBondContact CG-OH 3.27Å
150I98.8Very high98.5Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-71.8-39.1179.9-171.757.2000111.9E10 M146 P147 L148 L152 S153 H154E10-I150 VanDerWaalsContact O-CD1 3.25Å; E10-I150 WeakPolarHBondContact O-CD1 3.43Å; M146-I150 HydrophobicContact CE-CG2 4.11Å; P147-I150 HydrophobicContact CB-CG2 4.04Å; P147-I150 HydrophobicContact CG-CG2 4.16Å; P147-I150 WeakPolarHBondContact O-CG2 3.18Å; L148-I150 PolarHBondContact O-N 3.26Å; I150-L152 VanDerWaalsContact C-N 3.35Å; I150-L152 PolarHBondContact O-N 3.17Å; I150-S153 PolarHBondContact O-N 2.9Å; I150-H154 WeakPolarHBondContact CG1-NE2 3.46Å; I150-H154 PolarHBondContact O-CD2 3.18Å; I150-H154 PolarHBondContact O-N 3.11Å
151S98.7Very high98.5Very high4 Ų420.2 Ų20.23%0.02811%0.105CC..Hα-helixtrans-56.4-48.4174.3166.90000111.3E144 P147 L148 K155E144-S151 WeakPolarHBondContact OE1-CB 3.27Å; E144-S151 PolarHBondContact OE1-OG 3.25Å; P147-S151 WeakPolarHBondContact O-CB 3.43Å; P147-S151 PolarHBondContact O-N 3.18Å; L148-S151 PolarHBondContact O-N 3.27Å; S151-K155 VanDerWaalsContact O-CG 3.3Å; S151-K155 WeakPolarHBondContact O-CG 3.5Å; S151-K155 PolarHBondContact O-N 2.86Å; S151-K155 VanDerWaalsContact O-N 3.1Å; S151-K155 WeakPolarHBondContact OG-CE 3.19Å; S151-K155 PolarHBondContact OG-NZ 3.36Å
152L98.8Very high98.5Very high4 Ų422.4 Ų22.42%0.02112%0.117CC..Hα-helixtrans-65.4-44.3177.2-65.8-179.4000111.5L148 I150 H154 K155 L156 V180 V193 I224L148-L152 HydrophobicContact CD1-CD1 3.94Å; L148-L152 HydrophobicContact CD1-CD2 4.23Å; L148-L152 HydrophobicContact CD1-CG 3.88Å; L148-L152 HydrophobicContact CD2-CD1 4.37Å; L148-L152 HydrophobicContact CG-CD1 3.85Å; L148-L152 HydrophobicContact CG-CG 4.15Å; L148-L152 WeakPolarHBondContact O-CG 3.37Å; L148-L152 PolarHBondContact O-N 3.3Å; I150-L152 VanDerWaalsContact C-N 3.35Å; I150-L152 PolarHBondContact O-N 3.17Å; L152-H154 PolarHBondContact O-N 3.4Å; L152-K155 PolarHBondContact O-N 3.02Å; L152-L156 VanDerWaalsContact O-CG 3.23Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.34Å; L152-V180 HydrophobicContact CB-CG1 4.27Å; L152-V180 HydrophobicContact CB-CG2 4.1Å; L152-V180 HydrophobicContact CD1-CG1 4.12Å; L152-V193 HydrophobicContact CD1-CG2 3.87Å; L152-I224 HydrophobicContact CD1-CG1 4.44Å; L152-I224 HydrophobicContact CD1-CG2 4.24Å; L152-I224 HydrophobicContact CD2-CG1 4.33Å
153S98.8Very high98.6Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-56.9-47177.6-72.10000112S9 P149 I150 L156 V157 S178 V180S9-S153 PolarHBondContact O-OG 3.34Å; P149-S153 WeakPolarHBondContact O-CB 3.18Å; P149-S153 PolarHBondContact O-N 2.85Å; P149-S153 PolarHBondContact O-OG 2.96Å; P149-S153 VanDerWaalsContact O-OG 3.12Å; I150-S153 PolarHBondContact O-N 2.9Å; S153-L156 PolarHBondContact O-N 3.23Å; S153-V157 PolarHBondContact O-N 3.14Å; S153-S178 VanDerWaalsContact C-OG 3.32Å; S153-S178 WeakPolarHBondContact CA-OG 3.24Å; S153-S178 PolarHBondContact O-OG 3.08Å; S153-V180 WeakPolarHBondContact OG-CG2 3.38Å; S153-V180 PolarHBondContact OG-N 3.4Å
154H98.8Very high98.6Very high13 Ų1317.6 Ų17.66%0.068%0.082CC..Hα-helixtrans-59.3-50.2174.7-71.7-33.2000112.8S11 I150 L152 L156 V157 K158 V261 Y370S11-H154 WeakPolarHBondContact CB-ND1 3.18Å; S11-H154 PolarHBondContact OG-ND1 2.93Å; I150-H154 WeakPolarHBondContact CG1-NE2 3.46Å; I150-H154 PolarHBondContact O-CD2 3.18Å; I150-H154 PolarHBondContact O-N 3.11Å; L152-H154 PolarHBondContact O-N 3.4Å; H154-L156 VanDerWaalsContact C-N 3.25Å; H154-L156 PolarHBondContact O-N 3.42Å; H154-V157 VanDerWaalsContact O-CG2 3.24Å; H154-V157 WeakPolarHBondContact O-CG2 3.49Å; H154-V157 PolarHBondContact O-N 3.25Å; H154-K158 WeakPolarHBondContact O-CB 3.46Å; H154-K158 PolarHBondContact O-N 3.31Å; H154-V261 PolarHBondContact CE1-O 3.24Å; H154-V261 PolarHBondContact NE2-O 2.71Å; H154-V261 VanDerWaalsContact NE2-O 3.15Å; H154-Y370 PolarHBondContact CD2-O 2.95Å
155K98.7Very high98.6Very high82 Ų8222.2 Ų22.236%0.35710%0.102SC..Hα-helixtrans-61.7-34.3-178-71.2169.1-177.5164.90112E144 S151 L152 K159 V223E144-K155 WeakPolarHBondContact OE1-CE 3.41Å; E144-K155 IonicContact OE1-NZ 3.34Å; E144-K155 PolarHBondContact OE1-NZ 3Å; E144-K155 IonicContact OE2-NZ 2.7Å; S151-K155 VanDerWaalsContact O-CG 3.3Å; S151-K155 WeakPolarHBondContact O-CG 3.5Å; S151-K155 PolarHBondContact O-N 2.86Å; S151-K155 VanDerWaalsContact O-N 3.1Å; S151-K155 WeakPolarHBondContact OG-CE 3.19Å; S151-K155 PolarHBondContact OG-NZ 3.36Å; L152-K155 PolarHBondContact O-N 3.02Å; K155-K159 VanDerWaalsContact O-CB 3.29Å; K155-K159 WeakPolarHBondContact O-CB 3.5Å; K155-K159 PolarHBondContact O-N 3.1Å; K155-V223 HydrophobicContact CB-CG1 3.39Å; K155-V223 HydrophobicContact CB-CG2 4.39Å
156L98.9Very high98.6Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-64.1-50.6177.1-73166.5000112.3L152 S153 H154 K159 L160 V180 V196 I198 V219 I220 V223 I224L152-L156 VanDerWaalsContact O-CG 3.23Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.34Å; S153-L156 PolarHBondContact O-N 3.23Å; H154-L156 VanDerWaalsContact C-N 3.25Å; H154-L156 PolarHBondContact O-N 3.42Å; L156-K159 PolarHBondContact O-N 3.15Å; L156-L160 PolarHBondContact O-N 3.03Å; L156-V180 HydrophobicContact CD1-CG2 3.43Å; L156-V180 VanDerWaalsContact CD1-CG2 3.43Å; L156-V196 HydrophobicContact CD1-CG1 3.97Å; L156-I198 HydrophobicContact CB-CD1 4.03Å; L156-I198 HydrophobicContact CD1-CD1 4.22Å; L156-V219 HydrophobicContact CD2-CG1 3.96Å; L156-I220 HydrophobicContact CD2-CB 4.47Å; L156-I220 HydrophobicContact CD2-CG1 4.03Å; L156-V223 HydrophobicContact CD2-CB 3.94Å; L156-V223 HydrophobicContact CD2-CG1 4Å; L156-V223 HydrophobicContact CD2-CG2 4.39Å; L156-V223 HydrophobicContact CG-CB 4.47Å; L156-V223 HydrophobicContact CG-CG1 3.99Å; L156-I224 HydrophobicContact CD1-CD1 4.45Å; L156-I224 HydrophobicContact CD2-CG1 4.41Å
157V98.7Very high98.5Very high0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-70.5-32.3178.5-71.70000112.4S11 S153 H154 L160 A161 S178 Y370S11-V157 WeakPolarHBondContact OG-CG2 3.32Å; S153-V157 PolarHBondContact O-N 3.14Å; H154-V157 VanDerWaalsContact O-CG2 3.24Å; H154-V157 WeakPolarHBondContact O-CG2 3.49Å; H154-V157 PolarHBondContact O-N 3.25Å; V157-L160 PolarHBondContact O-N 3.12Å; V157-A161 PolarHBondContact O-N 2.9Å; V157-S178 WeakPolarHBondContact CG1-OG 3.39Å; V157-Y370 HydrophobicContact CG2-CD1 4.01Å; V157-Y370 HydrophobicContact CG2-CE1 4.24Å
158K98.5Very high98.5Very high53 Ų5332 Ų3223%0.2317%0.167CC..Hα-helixtrans-63.6-45.9172.2177.5160.6171.333.10111.3H154 L160 A161 D162 Y370 D377H154-K158 WeakPolarHBondContact O-CB 3.46Å; H154-K158 PolarHBondContact O-N 3.31Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.8Å; K158-A161 WeakPolarHBondContact O-CB 3.18Å; K158-A161 PolarHBondContact O-N 2.84Å; K158-A161 VanDerWaalsContact O-N 3.14Å; K158-D162 IonicContact NZ-OD1 3.76Å; K158-D162 PolarHBondContact NZ-OD1 3.44Å; K158-D162 IonicContact NZ-OD2 2.92Å; K158-D162 PolarHBondContact NZ-OD2 3.38Å; K158-D162 VanDerWaalsContact NZ-OD2 3.16Å; K158-D162 PolarHBondContact O-N 3.38Å; K158-Y370 HydrophobicContact CB-CD1 3.76Å; K158-Y370 HydrophobicContact CB-CE1 3.98Å; K158-Y370 HydrophobicContact CB-CG 4.14Å; K158-Y370 HydrophobicContact CD-CD2 4.47Å; K158-Y370 HydrophobicContact CD-CG 4.44Å; K158-D377 WeakPolarHBondContact CE-OD2 3.26Å
159K98.6Very high98.4Very high63 Ų6332 Ų3227%0.27417%0.167SC..Hα-helixtrans-62-38.5176.8-178.660.8176.31760112.2K155 L156 D162 L163 K218 V219 V223K155-K159 VanDerWaalsContact O-CB 3.29Å; K155-K159 WeakPolarHBondContact O-CB 3.5Å; K155-K159 PolarHBondContact O-N 3.1Å; L156-K159 PolarHBondContact O-N 3.15Å; K159-D162 PolarHBondContact O-N 3.47Å; K159-L163 HydrophobicContact CD-CD1 4.41Å; K159-L163 HydrophobicContact CD-CG 4.25Å; K159-L163 HydrophobicContact CG-CD1 4.28Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 2.83Å; K159-K218 WeakPolarHBondContact CE-O 3.47Å; K159-V219 HydrophobicContact CB-CG1 4.16Å; K159-V219 HydrophobicContact CG-CB 4.42Å; K159-V219 HydrophobicContact CG-CG1 4.12Å; K159-V223 HydrophobicContact CB-CG2 3.65Å; K159-V223 HydrophobicContact CG-CG2 3.96Å
160L98.6Very high98.3Very high3 Ų336.2 Ų36.22%0.01620%0.197CC..Hα-helixtrans-59.4-46.9171.9-80163.6000111.9L156 V157 K158 L163 R164 L172 A176 I198 V215 V219L156-L160 PolarHBondContact O-N 3.03Å; V157-L160 PolarHBondContact O-N 3.12Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.8Å; L160-L163 PolarHBondContact O-N 3.42Å; L160-R164 WeakPolarHBondContact O-CB 3.41Å; L160-R164 PolarHBondContact O-N 2.85Å; L160-L172 HydrophobicContact CD2-CD1 3.94Å; L160-A176 HydrophobicContact CD1-CB 4.09Å; L160-I198 HydrophobicContact CD1-CD1 4.35Å; L160-I198 HydrophobicContact CD1-CG2 3.76Å; L160-V215 HydrophobicContact CD2-CG2 4.32Å; L160-V219 HydrophobicContact CD2-CG1 4.45Å; L160-V219 HydrophobicContact CD2-CG2 3.7Å; L160-V219 HydrophobicContact CG-CG1 3.94Å; L160-V219 HydrophobicContact CG-CG2 4.03Å
161A98.5Very high98.2Very high2 Ų236.7 Ų36.72%0.01720%0.198CC..Hα-helixtrans-62.7-42.217700000112.1V157 K158 R164 K165 Y370V157-A161 PolarHBondContact O-N 2.9Å; K158-A161 WeakPolarHBondContact O-CB 3.18Å; K158-A161 PolarHBondContact O-N 2.84Å; K158-A161 VanDerWaalsContact O-N 3.14Å; A161-R164 PolarHBondContact O-N 3.2Å; A161-K165 WeakPolarHBondContact O-CB 3.33Å; A161-K165 WeakPolarHBondContact O-CG 3.4Å; A161-K165 PolarHBondContact O-N 3.07Å; A161-Y370 WeakPolarHBondContact CB-OH 3.37Å
162D98.3Very high98.1Very high68 Ų6836.9 Ų36.936%0.36420%0.199SC..Hα-helixtrans-61.8-45178.2-64.7-23.1000111.3K158 K159 K165 S166K158-D162 IonicContact NZ-OD1 3.76Å; K158-D162 PolarHBondContact NZ-OD1 3.44Å; K158-D162 IonicContact NZ-OD2 2.92Å; K158-D162 PolarHBondContact NZ-OD2 3.38Å; K158-D162 VanDerWaalsContact NZ-OD2 3.16Å; K158-D162 PolarHBondContact O-N 3.38Å; K159-D162 PolarHBondContact O-N 3.47Å; D162-K165 PolarHBondContact O-N 3.36Å; D162-S166 WeakPolarHBondContact O-CB 3.35Å; D162-S166 PolarHBondContact O-N 2.82Å; D162-S166 PolarHBondContact O-OG 2.97Å
163L98.6Very high98.1Very high3 Ų337.4 Ų37.42%0.01620%0.201CC..Hα-helixtrans-69.2-31.9178.2-68.2175.8000113.6K159 L160 S166 G167 E168 I169 K218 V219K159-L163 HydrophobicContact CD-CD1 4.41Å; K159-L163 HydrophobicContact CD-CG 4.25Å; K159-L163 HydrophobicContact CG-CD1 4.28Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 2.83Å; L160-L163 PolarHBondContact O-N 3.42Å; L163-S166 PolarHBondContact O-OG 2.72Å; L163-G167 PolarHBondContact O-N 2.93Å; L163-E168 HydrophobicContact CD2-CB 4.1Å; L163-E168 VanDerWaalsContact CD2-CD 3.45Å; L163-E168 HydrophobicContact CD2-CG 4.22Å; L163-E168 VanDerWaalsContact CD2-OE2 3.23Å; L163-E168 WeakPolarHBondContact CD2-OE2 3.47Å; L163-E168 PolarHBondContact O-N 3.39Å; L163-I169 HydrophobicContact CB-CD1 4.13Å; L163-I169 HydrophobicContact CB-CG1 4.19Å; L163-I169 HydrophobicContact CD1-CD1 3.63Å; L163-I169 HydrophobicContact CD1-CG1 4.36Å; L163-I169 HydrophobicContact CG-CD1 4.45Å; L163-I169 PolarHBondContact O-N 2.91Å; L163-K218 HydrophobicContact CD1-CB 3.86Å; L163-V219 HydrophobicContact CD1-CG2 3.69Å
164R98.2Very high98Very high32 Ų3237.6 Ų37.612%0.12120%0.202CC..Hα-helixtrans-67.2-52.3171.9173.6-17958.486-3.1110.4E14 I77 L160 A161 S166 G167 L172 R173E14-R164 IonicContact OE1-CZ 2.79Å; E14-R164 IonicContact OE1-NH2 2.66Å; E14-R164 PolarHBondContact OE1-NH2 2.74Å; I77-R164 PolarHBondContact O-NH1 3.45Å; I77-R164 PolarHBondContact O-NH2 2.85Å; I77-R164 VanDerWaalsContact O-NH2 3.12Å; L160-R164 WeakPolarHBondContact O-CB 3.41Å; L160-R164 PolarHBondContact O-N 2.85Å; A161-R164 PolarHBondContact O-N 3.2Å; R164-S166 VanDerWaalsContact C-N 3.32Å; R164-S166 PolarHBondContact O-N 2.91Å; R164-G167 PolarHBondContact O-N 2.99Å; R164-G167 VanDerWaalsContact O-N 3.07Å; R164-L172 HydrophobicContact CB-CB 3.89Å; R164-L172 HydrophobicContact CB-CD1 4.32Å; R164-L172 WeakPolarHBondContact CD-O 3.43Å; R164-L172 HydrophobicContact CG-CB 4.06Å; R164-L172 WeakPolarHBondContact CG-O 3.44Å; R164-R173 VanDerWaalsContact CD-C 3.47Å; R164-R173 WeakPolarHBondContact CD-O 3.49Å
165K97.8Very high98Very high110 Ų11037 Ų3748%0.47820%0.199SC..Hα-helixtrans-65.5-32.7-176.8-76.9-179.4165.9171.70112.6E14 E76 A161 D162 G167E14-K165 WeakPolarHBondContact OE1-CE 3.47Å; E14-K165 IonicContact OE1-NZ 3.68Å; E14-K165 PolarHBondContact OE1-NZ 3.27Å; E14-K165 IonicContact OE2-NZ 2.86Å; E14-K165 PolarHBondContact OE2-NZ 2.84Å; E76-K165 WeakPolarHBondContact O-CE 3.49Å; E76-K165 PolarHBondContact O-NZ 3.38Å; A161-K165 WeakPolarHBondContact O-CB 3.33Å; A161-K165 WeakPolarHBondContact O-CG 3.4Å; A161-K165 PolarHBondContact O-N 3.07Å; D162-K165 PolarHBondContact O-N 3.36Å; K165-G167 VanDerWaalsContact C-N 3.27Å; K165-G167 PolarHBondContact O-N 3.12Å
166S97.9Very high97.9Very high80 Ų8033.2 Ų33.256%0.55918%0.183SC*.THydrogen-bonded Turntrans-75.1-15.5174.271.70000113.7D162 L163 R164 E168D162-S166 WeakPolarHBondContact O-CB 3.35Å; D162-S166 PolarHBondContact O-N 2.82Å; D162-S166 PolarHBondContact O-OG 2.97Å; L163-S166 PolarHBondContact O-OG 2.72Å; R164-S166 VanDerWaalsContact C-N 3.32Å; R164-S166 PolarHBondContact O-N 2.91Å; S166-E168 VanDerWaalsContact C-N 3.26Å; S166-E168 PolarHBondContact O-N 2.82Å; S166-E168 WeakPolarHBondContact OG-CB 3.45Å; S166-E168 PolarHBondContact OG-N 3.37Å
167G97.4Very high97.9Very high42 Ų4236.6 Ų36.643%0.43320%0.198SC..THydrogen-bonded Turntrans77.63.1-173.400000114.6L163 R164 K165 I169 S170L163-G167 PolarHBondContact O-N 2.93Å; R164-G167 PolarHBondContact O-N 2.99Å; R164-G167 VanDerWaalsContact O-N 3.07Å; K165-G167 VanDerWaalsContact C-N 3.27Å; K165-G167 PolarHBondContact O-N 3.12Å; G167-I169 PolarHBondContact O-N 2.9Å; G167-S170 PolarHBondContact O-N 3.2Å
168E97.9Very high97.9Very high109 Ų10936.8 Ų36.851%0.50920%0.199SC..THydrogen-bonded Turntrans-61.6-34.6178.1-171.8-177.114500112L163 S166L163-E168 HydrophobicContact CD2-CB 4.1Å; L163-E168 VanDerWaalsContact CD2-CD 3.45Å; L163-E168 HydrophobicContact CD2-CG 4.22Å; L163-E168 VanDerWaalsContact CD2-OE2 3.23Å; L163-E168 WeakPolarHBondContact CD2-OE2 3.47Å; L163-E168 PolarHBondContact O-N 3.39Å; S166-E168 VanDerWaalsContact C-N 3.26Å; S166-E168 PolarHBondContact O-N 2.82Å; S166-E168 WeakPolarHBondContact OG-CB 3.45Å; S166-E168 PolarHBondContact OG-N 3.37Å
169I97.8Very high98Very high3 Ų337.5 Ų37.52%0.01520%0.203CC..THydrogen-bonded Turntrans-120.580.1168-49.1177.4000108.7L163 G167 Y171 L172 D214 K218L163-I169 HydrophobicContact CB-CD1 4.13Å; L163-I169 HydrophobicContact CB-CG1 4.19Å; L163-I169 HydrophobicContact CD1-CD1 3.63Å; L163-I169 HydrophobicContact CD1-CG1 4.36Å; L163-I169 HydrophobicContact CG-CD1 4.45Å; L163-I169 PolarHBondContact O-N 2.91Å; G167-I169 PolarHBondContact O-N 2.9Å; I169-Y171 HydrophobicContact CG2-CD1 3.85Å; I169-Y171 HydrophobicContact CG2-CD2 4.11Å; I169-Y171 HydrophobicContact CG2-CE1 3.33Å; I169-Y171 HydrophobicContact CG2-CE2 3.61Å; I169-Y171 HydrophobicContact CG2-CG 4.22Å; I169-Y171 WeakPolarHBondContact CG2-OH 3.47Å; I169-Y171 PolarHBondContact O-N 3.44Å; I169-Y171 VanDerWaalsContact O-N 3.17Å; I169-L172 HydrophobicContact CB-CD1 3.8Å; I169-L172 HydrophobicContact CB-CG 3.96Å; I169-L172 HydrophobicContact CD1-CD1 4.18Å; I169-L172 HydrophobicContact CG2-CD1 3.91Å; I169-L172 HydrophobicContact CG2-CD2 4.24Å; I169-L172 HydrophobicContact CG2-CG 3.6Å; I169-L172 PolarHBondContact O-N 3.29Å; I169-D214 HydrophobicContact CD1-CB 4.06Å; I169-K218 HydrophobicContact CD1-CB 4.39Å; I169-K218 HydrophobicContact CD1-CD 3.97Å; I169-K218 HydrophobicContact CG1-CD 4.11Å
170S96.3Very high98Very high90 Ų9034.5 Ų34.563%0.62919%0.19SC*.THydrogen-bonded Turntrans-64.7-18.6-170.6600000116G167 L172G167-S170 PolarHBondContact O-N 3.2Å; S170-L172 VanDerWaalsContact C-N 3.34Å
171Y96.6Very high98Very high10 Ų1034.9 Ų34.94%0.03919%0.193CC..THydrogen-bonded Turntrans-84.4-6.3179.162.6-105.2000113.5I169 H202 D203 A206 R210 I211 D214I169-Y171 HydrophobicContact CG2-CD1 3.85Å; I169-Y171 HydrophobicContact CG2-CD2 4.11Å; I169-Y171 HydrophobicContact CG2-CE1 3.33Å; I169-Y171 HydrophobicContact CG2-CE2 3.61Å; I169-Y171 HydrophobicContact CG2-CG 4.22Å; I169-Y171 WeakPolarHBondContact CG2-OH 3.47Å; I169-Y171 PolarHBondContact O-N 3.44Å; I169-Y171 VanDerWaalsContact O-N 3.17Å; Y171-H202 HydrophobicContact CD2-CB 4.09Å; Y171-H202 CarbonylContact O-C 3.43Å; Y171-H202 WeakPolarHBondContact O-CA 3.3Å; Y171-D203 PolarHBondContact O-N 2.68Å; Y171-A206 HydrophobicContact CD1-CB 4.32Å; Y171-A206 HydrophobicContact CD2-CB 3.66Å; Y171-A206 HydrophobicContact CE2-CB 4.21Å; Y171-A206 HydrophobicContact CG-CB 3.74Å; Y171-R210 HydrophobicContact CE1-CG 4.16Å; Y171-I211 HydrophobicContact CD2-CG1 4.42Å; Y171-I211 HydrophobicContact CE2-CG1 3.69Å; Y171-D214 WeakPolarHBondContact CE1-OD2 3.21Å; Y171-D214 VanDerWaalsContact OH-CB 3.24Å; Y171-D214 WeakPolarHBondContact OH-CB 3.42Å; Y171-D214 PolarHBondContact OH-OD2 3.1Å
172L97.4Very high98Very high8 Ų834.8 Ų34.84%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-73.2140.1178.6-66.3-179.5000110.8L160 R164 I169 S170 T200L160-L172 HydrophobicContact CD2-CD1 3.94Å; R164-L172 HydrophobicContact CB-CB 3.89Å; R164-L172 HydrophobicContact CB-CD1 4.32Å; R164-L172 WeakPolarHBondContact CD-O 3.43Å; R164-L172 HydrophobicContact CG-CB 4.06Å; R164-L172 WeakPolarHBondContact CG-O 3.44Å; I169-L172 HydrophobicContact CB-CD1 3.8Å; I169-L172 HydrophobicContact CB-CG 3.96Å; I169-L172 HydrophobicContact CD1-CD1 4.18Å; I169-L172 HydrophobicContact CG2-CD1 3.91Å; I169-L172 HydrophobicContact CG2-CD2 4.24Å; I169-L172 HydrophobicContact CG2-CG 3.6Å; I169-L172 PolarHBondContact O-N 3.29Å; S170-L172 VanDerWaalsContact C-N 3.34Å; L172-T200 HydrophobicContact CD2-CG2 3.71Å
173R97.4Very high98Very high15 Ų1533.4 Ų33.46%0.05718%0.183CC..EExtended strand (participates in β ladder)trans-109.2167173-64.2-179-179.2-163-9.1110.3Y84 R164 D175 Q201 H202 D203 V244Y84-R173 HydrophobicContact CE1-CG 4.06Å; Y84-R173 VanDerWaalsContact CE1-CZ 3.45Å; Y84-R173 HydrophobicContact CE2-CG 4.48Å; R164-R173 VanDerWaalsContact CD-C 3.47Å; R164-R173 WeakPolarHBondContact CD-O 3.49Å; R173-D175 PolarHBondContact O-N 3.17Å; R173-Q201 HydrophobicContact CB-CB 3.83Å; R173-Q201 VanDerWaalsContact CB-CD 3.43Å; R173-Q201 HydrophobicContact CB-CG 3.63Å; R173-Q201 HydrophobicContact CG-CG 4.4Å; R173-Q201 PolarHBondContact N-O 2.91Å; R173-H202 PolarHBondContact NE-O 2.95Å; R173-D203 IonicContact CZ-OD1 3.23Å; R173-D203 VanDerWaalsContact CZ-OD1 3.23Å; R173-D203 IonicContact NE-OD1 2.66Å; R173-D203 PolarHBondContact NE-OD1 2.73Å; R173-D203 IonicContact NH2-OD1 2.79Å; R173-D203 PolarHBondContact NH2-OD1 2.86Å; R173-V244 PolarHBondContact NH1-O 3.02Å; R173-V244 VanDerWaalsContact NH1-O 3.14Å
174P97.4Very high97.9Very high4 Ų434 Ų343%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-62-36.9-166.7-26.335.6000116.2S13 G15 I77 Y79S13-P174 PolarHBondContact OG-O 2.85Å; G15-P174 WeakPolarHBondContact CA-O 3.35Å; I77-P174 HydrophobicContact CG2-CB 4.21Å; Y79-P174 HydrophobicContact CD1-CG 4.27Å; Y79-P174 HydrophobicContact CD2-CB 4.21Å; Y79-P174 HydrophobicContact CD2-CG 4.21Å; Y79-P174 HydrophobicContact CE1-CB 4.32Å; Y79-P174 HydrophobicContact CE1-CG 4.12Å; Y79-P174 HydrophobicContact CE2-CB 3.65Å; Y79-P174 HydrophobicContact CE2-CG 4.06Å; Y79-P174 HydrophobicContact CG-CG 4.3Å
175D97.9Very high97.8Very high1 Ų135.3 Ų35.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-75.6124-174.1-167.9-3.7000112.3H16 R173 Q201 F243 G247H16-D175 IonicContact CD2-OD1 3.86Å; R173-D175 PolarHBondContact O-N 3.17Å; D175-Q201 HydrophobicContact CB-CB 3.99Å; D175-Q201 WeakPolarHBondContact O-CB 3.44Å; D175-Q201 PolarHBondContact O-N 3Å; D175-F243 HydrophobicContact CB-CZ 4.35Å; D175-F243 WeakPolarHBondContact OD2-CZ 3.47Å; D175-G247 PolarHBondContact OD2-N 2.59Å
176A98.5Very high97.5Very high2 Ų235.6 Ų35.62%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-151.2153.4175.300000112.1V12 S13 L160 S199V12-A176 CarbonylContact C-O 3.5Å; V12-A176 WeakPolarHBondContact CA-O 3.42Å; S13-A176 PolarHBondContact N-O 2.86Å; S13-A176 PolarHBondContact OG-N 3.47Å; L160-A176 HydrophobicContact CD1-CB 4.09Å; A176-S199 CarbonylContact C-O 3.59Å; A176-S199 VanDerWaalsContact CA-O 3.24Å; A176-S199 WeakPolarHBondContact CA-O 3.34Å
177K98.7Very high97.2Very high70 Ų7038 Ų3830%0.30420%0.204SC..EExtended strand (participates in β ladder)trans-133.7138.9-178.8-49.4-177.2-176.9179.30109.1S11 V12 I198 S199 D251S11-K177 WeakPolarHBondContact O-CA 3.48Å; V12-K177 HydrophobicContact CG1-CB 4.47Å; V12-K177 HydrophobicContact CG1-CG 4.11Å; K177-I198 WeakPolarHBondContact O-CA 3.28Å; K177-S199 PolarHBondContact N-O 3.16Å; K177-S199 PolarHBondContact O-N 3.48Å; K177-D251 IonicContact NZ-OD2 3.21Å
178S98.8Very high96.9Very high4 Ų439 Ų393%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-124.2147.7171.7630000110.8E10 S11 S153 V157 V197E10-S178 CarbonylContact C-O 3.58Å; E10-S178 WeakPolarHBondContact CA-O 3.43Å; E10-S178 VanDerWaalsContact CB-O 3.25Å; E10-S178 WeakPolarHBondContact CB-O 3.39Å; S11-S178 PolarHBondContact N-O 3.3Å; S11-S178 PolarHBondContact O-N 3.22Å; S153-S178 VanDerWaalsContact C-OG 3.32Å; S153-S178 WeakPolarHBondContact CA-OG 3.24Å; S153-S178 PolarHBondContact O-OG 3.08Å; V157-S178 WeakPolarHBondContact CG1-OG 3.39Å; S178-V197 CarbonylContact C-O 3.55Å; S178-V197 WeakPolarHBondContact CA-O 3.48Å
179Q98.9Very high96.8Very high68 Ų6837.8 Ų37.832%0.31819%0.193SC..EExtended strand (participates in β ladder)trans-141.6131.4170.6-172.9-174.3-66.600109T8 S9 E10 V196 V197T8-Q179 HydrophobicContact CG2-CG 3.37Å; S9-Q179 WeakPolarHBondContact O-CA 3.46Å; E10-Q179 HydrophobicContact CB-CB 4.19Å; E10-Q179 HydrophobicContact CB-CG 4.21Å; Q179-V196 WeakPolarHBondContact O-CA 3.38Å; Q179-V197 HydrophobicContact CB-CB 4.04Å; Q179-V197 HydrophobicContact CB-CG2 4.33Å; Q179-V197 PolarHBondContact N-O 3.46Å; Q179-V197 PolarHBondContact O-N 3.32Å
180V98.9Very high96.8Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-125.1125.5-178.8-178.90000108.8T8 S9 L152 S153 L156 V182 V193T8-V180 WeakPolarHBondContact CA-O 3.37Å; S9-V180 PolarHBondContact N-O 2.87Å; S9-V180 VanDerWaalsContact N-O 3.07Å; S9-V180 PolarHBondContact O-N 3.06Å; L152-V180 HydrophobicContact CB-CG1 4.27Å; L152-V180 HydrophobicContact CB-CG2 4.1Å; L152-V180 HydrophobicContact CD1-CG1 4.12Å; S153-V180 WeakPolarHBondContact OG-CG2 3.38Å; S153-V180 PolarHBondContact OG-N 3.4Å; L156-V180 HydrophobicContact CD1-CG2 3.43Å; L156-V180 VanDerWaalsContact CD1-CG2 3.43Å; V180-V182 HydrophobicContact CG1-CG2 3.99Å; V180-V193 HydrophobicContact CG1-CG1 3.98Å; V180-V193 HydrophobicContact CG1-CG2 4.12Å
181T98.8Very high96.8Very high12 Ų1237.7 Ų37.77%0.07419%0.189CC..EExtended strand (participates in β ladder)trans-107119.8172.1-54.70000109.1L6 F7 T8 V193 D194 T195L6-T181 HydrophobicContact CB-CG2 3.95Å; L6-T181 HydrophobicContact CD1-CG2 4.43Å; L6-T181 HydrophobicContact CD2-CG2 4.35Å; L6-T181 HydrophobicContact CG-CG2 4.47Å; F7-T181 CarbonylContact O-C 3.56Å; F7-T181 WeakPolarHBondContact O-CA 2.94Å; T8-T181 WeakPolarHBondContact CG2-OG1 3.48Å; T8-T181 WeakPolarHBondContact OG1-CG2 3.47Å; T8-T181 PolarHBondContact OG1-OG1 3.26Å; T181-V193 CarbonylContact O-C 3.56Å; T181-D194 HydrophobicContact CG2-CB 4.34Å; T181-D194 PolarHBondContact O-N 3.16Å; T181-T195 PolarHBondContact N-O 2.66Å; T181-T195 PolarHBondContact O-N 2.82Å
182V98.7Very high96.9Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-106.7138.4-179.9177.30000109.4L6 F7 L148 P149 V180 Y184 P190 V193L6-V182 WeakPolarHBondContact CA-O 3.34Å; F7-V182 PolarHBondContact N-O 2.97Å; F7-V182 PolarHBondContact O-N 3.06Å; L148-V182 HydrophobicContact CD2-CG1 4.18Å; L148-V182 HydrophobicContact CD2-CG2 4.34Å; P149-V182 HydrophobicContact CB-CG2 4.09Å; P149-V182 HydrophobicContact CG-CB 3.95Å; P149-V182 HydrophobicContact CG-CG2 3.69Å; V180-V182 HydrophobicContact CG1-CG2 3.99Å; V182-Y184 HydrophobicContact CB-CD2 4.36Å; V182-Y184 HydrophobicContact CB-CE2 3.74Å; V182-Y184 HydrophobicContact CG1-CD2 4.03Å; V182-Y184 HydrophobicContact CG1-CE2 3.57Å; V182-P190 HydrophobicContact CG1-CB 3.91Å; V182-V193 HydrophobicContact CG2-CG2 4.33Å
183E98.2Very high97Very high38 Ų3837.7 Ų37.718%0.17819%0.188CC..EExtended strand (participates in β ladder)trans-90.5130.9171.4-175.4172.917000110R4 K5 L6 V191 R192R4-E183 WeakPolarHBondContact CD-OE1 3.48Å; R4-E183 IonicContact NH1-OE2 2.76Å; K5-E183 WeakPolarHBondContact O-CA 3.34Å; L6-E183 HydrophobicContact CD2-CB 3.81Å; L6-E183 HydrophobicContact CD2-CG 4.11Å; E183-V191 PolarHBondContact O-N 3.32Å; E183-R192 HydrophobicContact CB-CG 3.9Å; E183-R192 HydrophobicContact CG-CG 4.5Å; E183-R192 PolarHBondContact N-O 2.86Å; E183-R192 WeakPolarHBondContact OE2-CD 3.44Å; E183-R192 IonicContact OE2-CZ 2.97Å; E183-R192 IonicContact OE2-NH1 3.01Å; E183-R192 PolarHBondContact OE2-NH1 3.44Å
184Y97.4Very high97Very high17 Ų1737.3 Ų37.37%0.06719%0.188CC..EExtended strand (participates in β ladder)trans-113.4147.4-179.4-73.8-95.5000110.9K5 F7 E141 P149 V182 D188 K189 P190K5-Y184 PolarHBondContact O-N 3.33Å; F7-Y184 HydrophobicContact CB-CD2 4.11Å; F7-Y184 HydrophobicContact CB-CE2 3.77Å; E141-Y184 VanDerWaalsContact OE1-CE1 3.31Å; E141-Y184 WeakPolarHBondContact OE1-CE1 3.41Å; E141-Y184 PolarHBondContact OE2-OH 2.97Å; P149-Y184 WeakPolarHBondContact CD-OH 3.36Å; P149-Y184 HydrophobicContact CG-CE2 4.3Å; P149-Y184 WeakPolarHBondContact CG-OH 3.27Å; V182-Y184 HydrophobicContact CB-CD2 4.36Å; V182-Y184 HydrophobicContact CB-CE2 3.74Å; V182-Y184 HydrophobicContact CG1-CD2 4.03Å; V182-Y184 HydrophobicContact CG1-CE2 3.57Å; Y184-D188 WeakPolarHBondContact CD1-O 3.46Å; Y184-K189 WeakPolarHBondContact CA-O 3.22Å; Y184-P190 HydrophobicContact CD1-CG 4.25Å; Y184-P190 HydrophobicContact CE1-CB 4.25Å; Y184-P190 HydrophobicContact CE1-CG 3.58Å
185D95.2Very high97.1Very high59 Ų5937.9 Ų37.932%0.31619%0.191SC..  trans-82.3-177.8174.673.38.9000112.8K5 N187 D188 K189 V191K5-D185 PolarHBondContact NZ-O 3.33Å; D185-N187 PolarHBondContact O-N 3.4Å; D185-N187 VanDerWaalsContact OD1-C 3.28Å; D185-N187 WeakPolarHBondContact OD1-CA 3.25Å; D185-N187 WeakPolarHBondContact OD1-CB 3.17Å; D185-N187 PolarHBondContact OD1-N 3.46Å; D185-D188 PolarHBondContact O-N 3.3Å; D185-D188 VanDerWaalsContact O-N 3.11Å; D185-D188 PolarHBondContact OD1-N 2.96Å; D185-D188 VanDerWaalsContact OD1-N 3.12Å; D185-K189 PolarHBondContact N-O 3.32Å; D185-K189 PolarHBondContact OD1-N 3.44Å; D185-V191 HydrophobicContact CB-CG2 3.76Å
186E92.2Very high97.1Very high115 Ų11537.9 Ų37.954%0.53719%0.191SC..THydrogen-bonded Turntrans-63.1-21.4179.1-63-66175.700113.2S2 K5S2-E186 WeakPolarHBondContact CB-OE1 3.48Å; S2-E186 PolarHBondContact OG-OE1 2.78Å; K5-E186 PolarHBondContact NZ-O 2.84Å
187N90.4Very high97.1Very high130 Ų13039 Ų3970%0.69520%0.198SC*.THydrogen-bonded Turntrans-96.914.3178-56.1-54.5000112.8D185 K189D185-N187 PolarHBondContact O-N 3.4Å; D185-N187 VanDerWaalsContact OD1-C 3.28Å; D185-N187 WeakPolarHBondContact OD1-CA 3.25Å; D185-N187 WeakPolarHBondContact OD1-CB 3.17Å; D185-N187 PolarHBondContact OD1-N 3.46Å; N187-K189 VanDerWaalsContact C-N 3.28Å; N187-K189 PolarHBondContact O-N 3.33Å
188D92.1Very high97.1Very high65 Ų6535.7 Ų35.735%0.34818%0.183SC..SBendtrans57.534.8-177.4-55.4-30.1000113.6K5 Y184 D185 K306K5-D188 IonicContact NZ-OD1 3.23Å; K5-D188 PolarHBondContact NZ-OD1 2.8Å; Y184-D188 WeakPolarHBondContact CD1-O 3.46Å; D185-D188 PolarHBondContact O-N 3.3Å; D185-D188 VanDerWaalsContact O-N 3.11Å; D185-D188 PolarHBondContact OD1-N 2.96Å; D185-D188 VanDerWaalsContact OD1-N 3.12Å; D188-K306 IonicContact OD2-NZ 2.66Å
189K95.3Very high97.1Very high82 Ų8236.6 Ų36.636%0.35719%0.19SC..  trans-99137.2171.3-65.2-61.3-175.2-179.70111.6D140 Y184 D185 N187 V191D140-K189 IonicContact OD1-NZ 2.85Å; D140-K189 PolarHBondContact OD1-NZ 3.35Å; D140-K189 IonicContact OD2-NZ 3.77Å; Y184-K189 WeakPolarHBondContact CA-O 3.22Å; D185-K189 PolarHBondContact N-O 3.32Å; D185-K189 PolarHBondContact OD1-N 3.44Å; N187-K189 VanDerWaalsContact C-N 3.28Å; N187-K189 PolarHBondContact O-N 3.33Å; K189-V191 PolarHBondContact O-N 2.96Å
190P97.5Very high97.1Very high23 Ų2333.5 Ų33.515%0.14918%0.175CC..EExtended strand (participates in β ladder)trans-61.6126.1176.8-2230.4000112.4E141 L148 V182 Y184 Y228E141-P190 HydrophobicContact CB-CG 4.28Å; E141-P190 HydrophobicContact CG-CG 3.68Å; E141-P190 WeakPolarHBondContact OE2-CG 3.25Å; L148-P190 HydrophobicContact CB-CG 4.2Å; L148-P190 HydrophobicContact CD2-CB 3.52Å; L148-P190 HydrophobicContact CD2-CG 3.95Å; V182-P190 HydrophobicContact CG1-CB 3.91Å; Y184-P190 HydrophobicContact CD1-CG 4.25Å; Y184-P190 HydrophobicContact CE1-CB 4.25Å; Y184-P190 HydrophobicContact CE1-CG 3.58Å; P190-Y228 HydrophobicContact CB-CE1 4.32Å
191V97.2Very high97.1Very high68 Ų6833.5 Ų33.541%0.41218%0.175SC..EExtended strand (participates in β ladder)trans-98.7-52.1179.2-177.60000110.7E183 D185 K189E183-V191 PolarHBondContact O-N 3.32Å; D185-V191 HydrophobicContact CB-CG2 3.76Å; K189-V191 PolarHBondContact O-N 2.96Å
192R98Very high97Very high19 Ų1933 Ų337%0.07217%0.172CC..EExtended strand (participates in β ladder)trans-161.9164.6-17456.4175.7-68.1-68.8-5.3111.6E183 D194 D230 K232 T233E183-R192 HydrophobicContact CB-CG 3.9Å; E183-R192 HydrophobicContact CG-CG 4.5Å; E183-R192 PolarHBondContact N-O 2.86Å; E183-R192 WeakPolarHBondContact OE2-CD 3.44Å; E183-R192 IonicContact OE2-CZ 2.97Å; E183-R192 IonicContact OE2-NH1 3.01Å; E183-R192 PolarHBondContact OE2-NH1 3.44Å; R192-D194 IonicContact NH1-OD1 3.74Å; R192-D194 PolarHBondContact NH1-OD1 3.11Å; R192-D230 VanDerWaalsContact CD-OD2 3.26Å; R192-D230 WeakPolarHBondContact CD-OD2 3.35Å; R192-D230 IonicContact CZ-OD1 3.31Å; R192-D230 IonicContact CZ-OD2 3.55Å; R192-D230 IonicContact NE-OD1 3.58Å; R192-D230 PolarHBondContact NE-OD1 3.19Å; R192-D230 VanDerWaalsContact NE-OD1 3.12Å; R192-D230 IonicContact NE-OD2 3.44Å; R192-D230 PolarHBondContact NE-OD2 2.96Å; R192-D230 IonicContact NH2-OD1 2.76Å; R192-D230 PolarHBondContact NH2-OD1 2.62Å; R192-D230 IonicContact NH2-OD2 2.64Å; R192-K232 VanDerWaalsContact NH2-C 3.27Å; R192-K232 PolarHBondContact NH2-O 3.47Å; R192-T233 VanDerWaalsContact NH2-N 3.19Å; R192-T233 PolarHBondContact NH2-OG1 2.66Å
193V98.7Very high96.9Very high0 Ų035.1 Ų35.10%018%0.183CC..EExtended strand (participates in β ladder)trans-87.4116169.4173.20000109L152 V180 T181 V182 V196 I224 Y228 L229 T233L152-V193 HydrophobicContact CD1-CG2 3.87Å; V180-V193 HydrophobicContact CG1-CG1 3.98Å; V180-V193 HydrophobicContact CG1-CG2 4.12Å; T181-V193 CarbonylContact O-C 3.56Å; V182-V193 HydrophobicContact CG2-CG2 4.33Å; V193-V196 HydrophobicContact CG1-CG2 3.44Å; V193-V196 VanDerWaalsContact CG1-CG2 3.44Å; V193-I224 HydrophobicContact CG1-CD1 4.48Å; V193-I224 HydrophobicContact CG2-CD1 4.44Å; V193-I224 HydrophobicContact CG2-CG2 3.99Å; V193-Y228 PolarHBondContact N-O 3.25Å; V193-L229 HydrophobicContact CB-CD2 4.45Å; V193-T233 HydrophobicContact CG1-CG2 4.18Å; V193-T233 WeakPolarHBondContact O-CG2 3.33Å; V193-T233 PolarHBondContact O-OG1 3.23Å
194D98.5Very high96.7Very high7 Ų735.7 Ų35.74%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-73.4-48176-176.989.1000112.2R4 L6 T181 R192 K234R4-D194 IonicContact CZ-OD1 2.74Å; R4-D194 IonicContact NH1-OD1 3.48Å; R4-D194 PolarHBondContact NH1-OD1 2.73Å; L6-D194 HydrophobicContact CD2-CB 4Å; T181-D194 HydrophobicContact CG2-CB 4.34Å; T181-D194 PolarHBondContact O-N 3.16Å; R192-D194 IonicContact NH1-OD1 3.74Å; R192-D194 PolarHBondContact NH1-OD1 3.11Å; D194-K234 PolarHBondContact O-N 2.79Å; D194-K234 IonicContact OD1-NZ 3.92Å; D194-K234 IonicContact OD2-NZ 2.81Å; D194-K234 PolarHBondContact OD2-NZ 2.67Å; D194-K234 VanDerWaalsContact OD2-NZ 3.16Å
195T98.8Very high96.6Very high16 Ų1643 Ų4310%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-143.8132.5-171.9-64.10000110.5T181 V197 K234 F236T181-T195 PolarHBondContact N-O 2.66Å; T181-T195 PolarHBondContact O-N 2.82Å; T195-V197 HydrophobicContact CG2-CG2 4.08Å; T195-K234 WeakPolarHBondContact CA-O 3.37Å; T195-K234 HydrophobicContact CG2-CB 4.36Å; T195-F236 HydrophobicContact CG2-CD2 3.57Å; T195-F236 HydrophobicContact CG2-CE2 3.62Å
196V98.9Very high96.7Very high0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-116.5126.9167.2-174.60000108.7L156 Q179 V193 I198 I220 I224 K234 F235 F236L156-V196 HydrophobicContact CD1-CG1 3.97Å; Q179-V196 WeakPolarHBondContact O-CA 3.38Å; V193-V196 HydrophobicContact CG1-CG2 3.44Å; V193-V196 VanDerWaalsContact CG1-CG2 3.44Å; V196-I198 HydrophobicContact CG1-CG1 4.21Å; V196-I220 HydrophobicContact CB-CD1 4.34Å; V196-I220 HydrophobicContact CG1-CD1 3.8Å; V196-I220 HydrophobicContact CG1-CG1 4.19Å; V196-I224 HydrophobicContact CG2-CD1 3.61Å; V196-K234 PolarHBondContact N-O 2.92Å; V196-F235 HydrophobicContact CB-CD1 4.07Å; V196-F235 HydrophobicContact CB-CE1 4.45Å; V196-F235 HydrophobicContact CG2-CD1 4.32Å; V196-F235 HydrophobicContact CG2-CE1 4.2Å; V196-F236 PolarHBondContact O-N 2.64Å
197V98.8Very high96.9Very high27 Ų2739.2 Ų39.216%0.16421%0.213CC..EExtended strand (participates in β ladder)trans-112.7130.6170.4-169.20000108.5S178 Q179 T195 F236 P239S178-V197 CarbonylContact C-O 3.55Å; S178-V197 WeakPolarHBondContact CA-O 3.48Å; Q179-V197 HydrophobicContact CB-CB 4.04Å; Q179-V197 HydrophobicContact CB-CG2 4.33Å; Q179-V197 PolarHBondContact N-O 3.46Å; Q179-V197 PolarHBondContact O-N 3.32Å; T195-V197 HydrophobicContact CG2-CG2 4.08Å; V197-F236 WeakPolarHBondContact CA-O 3.23Å; V197-F236 HydrophobicContact CB-CB 4.41Å; V197-F236 HydrophobicContact CG1-CB 4.12Å; V197-F236 HydrophobicContact CG2-CB 4.17Å; V197-F236 HydrophobicContact CG2-CD2 4.21Å; V197-P239 HydrophobicContact CG1-CG 4.11Å
198I98.8Very high97.2Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-127.4127.1169.7-62.9-67.1000107.7L156 L160 K177 V196 V215 I220 F236 I237 N238L156-I198 HydrophobicContact CB-CD1 4.03Å; L156-I198 HydrophobicContact CD1-CD1 4.22Å; L160-I198 HydrophobicContact CD1-CD1 4.35Å; L160-I198 HydrophobicContact CD1-CG2 3.76Å; K177-I198 WeakPolarHBondContact O-CA 3.28Å; V196-I198 HydrophobicContact CG1-CG1 4.21Å; I198-V215 HydrophobicContact CB-CG1 3.97Å; I198-V215 HydrophobicContact CG1-CG1 3.9Å; I198-V215 HydrophobicContact CG2-CG1 3.86Å; I198-I220 HydrophobicContact CG1-CD1 4.31Å; I198-F236 PolarHBondContact N-O 3.03Å; I198-I237 HydrophobicContact CB-CD1 4.05Å; I198-I237 HydrophobicContact CG1-CD1 4.31Å; I198-I237 CarbonylContact O-C 3.52Å; I198-I237 WeakPolarHBondContact O-CA 3.3Å; I198-N238 PolarHBondContact O-N 3.09Å
199S98.6Very high97.4Very high23 Ų2339.6 Ų39.616%0.16122%0.215CC..EExtended strand (participates in β ladder)trans-118.4115.6165.5-61.20000107.7A176 K177 N238A176-S199 CarbonylContact C-O 3.59Å; A176-S199 VanDerWaalsContact CA-O 3.24Å; A176-S199 WeakPolarHBondContact CA-O 3.34Å; K177-S199 PolarHBondContact N-O 3.16Å; K177-S199 PolarHBondContact O-N 3.48Å; S199-N238 VanDerWaalsContact CA-OD1 3.32Å; S199-N238 WeakPolarHBondContact CA-OD1 3.44Å
200T98.5Very high97.6Very high2 Ų241.8 Ų41.81%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-126133.5-178.4-1680000110.4L172 H202 I211 V215 N238L172-T200 HydrophobicContact CD2-CG2 3.71Å; T200-H202 PolarHBondContact O-CD2 3.4Å; T200-I211 HydrophobicContact CG2-CG2 4.1Å; T200-V215 HydrophobicContact CG2-CG2 4.37Å; T200-N238 PolarHBondContact N-OD1 2.98Å; T200-N238 PolarHBondContact O-ND2 2.95Å
201Q97.8Very high97.6Very high0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-68.2142.8176.3-165.7-163.76.900109.6R173 D175 F243 V244 G246R173-Q201 HydrophobicContact CB-CB 3.83Å; R173-Q201 VanDerWaalsContact CB-CD 3.43Å; R173-Q201 HydrophobicContact CB-CG 3.63Å; R173-Q201 HydrophobicContact CG-CG 4.4Å; R173-Q201 PolarHBondContact N-O 2.91Å; D175-Q201 HydrophobicContact CB-CB 3.99Å; D175-Q201 WeakPolarHBondContact O-CB 3.44Å; D175-Q201 PolarHBondContact O-N 3Å; Q201-F243 CarbonylContact C-O 3.52Å; Q201-F243 WeakPolarHBondContact CA-O 3.47Å; Q201-F243 HydrophobicContact CB-CD1 4.29Å; Q201-F243 HydrophobicContact CB-CE1 4.38Å; Q201-F243 HydrophobicContact CB-CG 4.4Å; Q201-F243 WeakPolarHBondContact CG-O 3.48Å; Q201-V244 PolarHBondContact NE2-O 3.06Å; Q201-G246 VanDerWaalsContact NE2-N 3.12Å
202H96.8Very high97.7Very high1 Ų142.3 Ų42.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-151163.7-173.464.190.1000113.6Y171 R173 T200 A206 I211 N238 F243 V244Y171-H202 HydrophobicContact CD2-CB 4.09Å; Y171-H202 CarbonylContact O-C 3.43Å; Y171-H202 WeakPolarHBondContact O-CA 3.3Å; R173-H202 PolarHBondContact NE-O 2.95Å; T200-H202 PolarHBondContact O-CD2 3.4Å; H202-A206 HydrophobicContact CB-CB 4.49Å; H202-I211 HydrophobicContact CB-CD1 4.18Å; H202-N238 PolarHBondContact CD2-ND2 2.55Å; H202-F243 PolarHBondContact CD2-O 3.18Å; H202-F243 PolarHBondContact N-O 3.45Å; H202-F243 PolarHBondContact NE2-N 2.96Å; H202-V244 WeakPolarHBondContact O-CA 3.45Å
203D96.2Very high97.7Very high45 Ų4547.8 Ų47.824%0.24124%0.239CC..  trans-63.9147.5170.5-73.2-26.4000112.4Y171 R173 E205 A206Y171-D203 PolarHBondContact O-N 2.68Å; R173-D203 IonicContact CZ-OD1 3.23Å; R173-D203 VanDerWaalsContact CZ-OD1 3.23Å; R173-D203 IonicContact NE-OD1 2.66Å; R173-D203 PolarHBondContact NE-OD1 2.73Å; R173-D203 IonicContact NH2-OD1 2.79Å; R173-D203 PolarHBondContact NH2-OD1 2.86Å; D203-E205 PolarHBondContact O-N 2.88Å; D203-E205 VanDerWaalsContact O-N 3.11Å; D203-A206 PolarHBondContact O-N 3.03Å; D203-A206 VanDerWaalsContact O-N 3.14Å
204P95.3Very high97.7Very high50 Ų5048.8 Ų48.833%0.32524%0.244SC..THydrogen-bonded Turntrans-63.6-19.9-174.925.5-35.5000114.6R242 V244P204-R242 VanDerWaalsContact CB-NH2 3.34Å; P204-R242 PolarHBondContact O-NH2 3.05Å; P204-R242 VanDerWaalsContact O-NH2 3.14Å; P204-V244 HydrophobicContact CB-CG1 4.24Å; P204-V244 HydrophobicContact CB-CG2 4.28Å
205E95.2Very high97.7Very high171 Ų17148.5 Ų48.580%0.79924%0.243SC*.THydrogen-bonded Turntrans-82.9-17.5-179.5-55.4-61.116300113.2D203 T207D203-E205 PolarHBondContact O-N 2.88Å; D203-E205 VanDerWaalsContact O-N 3.11Å; E205-T207 PolarHBondContact O-N 2.66Å
206A96.6Very high97.6Very high11 Ų1148.8 Ų48.89%0.09124%0.244CC..  trans-74.4127.4179.300000111Y171 H202 D203 I211Y171-A206 HydrophobicContact CD1-CB 4.32Å; Y171-A206 HydrophobicContact CD2-CB 3.66Å; Y171-A206 HydrophobicContact CE2-CB 4.21Å; Y171-A206 HydrophobicContact CG-CB 3.74Å; H202-A206 HydrophobicContact CB-CB 4.49Å; D203-A206 PolarHBondContact O-N 3.03Å; D203-A206 VanDerWaalsContact O-N 3.14Å; A206-I211 HydrophobicContact CB-CD1 3.99Å; A206-I211 HydrophobicContact CB-CG1 4.07Å
207T97Very high97.6Very high83 Ų8353.3 Ų53.351%0.50927%0.265SS..  trans-82.2147.9177.866.60000111.2E205 D209 R210 I211E205-T207 PolarHBondContact O-N 2.66Å; T207-D209 PolarHBondContact O-N 2.92Å; T207-R210 PolarHBondContact O-N 2.85Å; T207-R210 VanDerWaalsContact O-N 3.12Å; T207-R210 WeakPolarHBondContact OG1-CB 3.43Å; T207-R210 PolarHBondContact OG1-N 2.53Å; T207-I211 VanDerWaalsContact O-CG1 3.31Å; T207-I211 WeakPolarHBondContact O-CG1 3.49Å; T207-I211 PolarHBondContact O-N 2.88Å
208N96.6Very high97.6Very high74 Ų7455.2 Ų55.240%0.39627%0.271SS..Hα-helixtrans-57.5-34.1177.3-72.9-12.2000112.8I211 R212 G241N208-I211 PolarHBondContact O-N 2.93Å; N208-R212 WeakPolarHBondContact O-CB 3.16Å; N208-R212 PolarHBondContact O-N 3.42Å; N208-G241 PolarHBondContact OD1-O 3.11Å
209D97.2Very high97.6Very high129 Ų12955.2 Ų55.269%0.6927%0.271SS*.Hα-helixtrans-65.7-43.8177.2-69.1-20.4000111.9T207 R212 Q213T207-D209 PolarHBondContact O-N 2.92Å; D209-R212 PolarHBondContact O-N 2.9Å; D209-Q213 WeakPolarHBondContact O-CB 3.45Å; D209-Q213 PolarHBondContact O-N 3.41Å
210R97.8Very high97.6Very high128 Ų12854.1 Ų54.148%0.48326%0.263SS..Hα-helixtrans-63.9-47.4176-179.7178.1179.9-176-2.4111.1Y171 T207 R212 Q213 D214Y171-R210 HydrophobicContact CE1-CG 4.16Å; T207-R210 PolarHBondContact O-N 2.85Å; T207-R210 VanDerWaalsContact O-N 3.12Å; T207-R210 WeakPolarHBondContact OG1-CB 3.43Å; T207-R210 PolarHBondContact OG1-N 2.53Å; R210-R212 VanDerWaalsContact C-N 3.32Å; R210-R212 PolarHBondContact O-N 2.92Å; R210-Q213 PolarHBondContact O-N 2.65Å; R210-D214 IonicContact NE-OD2 3.09Å; R210-D214 WeakPolarHBondContact O-CB 3.15Å; R210-D214 PolarHBondContact O-N 2.96Å
211I98.4Very high97.6Very high1 Ų159.3 Ų59.31%0.00529%0.286CS..Hα-helixtrans-58.2-47.4177.5-63.2163.4000109.8Y171 T200 H202 A206 T207 N208 Q213 D214 V215 I237Y171-I211 HydrophobicContact CD2-CG1 4.42Å; Y171-I211 HydrophobicContact CE2-CG1 3.69Å; T200-I211 HydrophobicContact CG2-CG2 4.1Å; H202-I211 HydrophobicContact CB-CD1 4.18Å; A206-I211 HydrophobicContact CB-CD1 3.99Å; A206-I211 HydrophobicContact CB-CG1 4.07Å; T207-I211 VanDerWaalsContact O-CG1 3.31Å; T207-I211 WeakPolarHBondContact O-CG1 3.49Å; T207-I211 PolarHBondContact O-N 2.88Å; N208-I211 PolarHBondContact O-N 2.93Å; I211-Q213 PolarHBondContact O-N 3.24Å; I211-D214 PolarHBondContact O-N 3.27Å; I211-V215 HydrophobicContact CG2-CG2 4.15Å; I211-V215 VanDerWaalsContact O-CB 3.3Å; I211-V215 WeakPolarHBondContact O-CB 3.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.34Å; I211-V215 PolarHBondContact O-N 3.46Å; I211-I237 HydrophobicContact CG2-CG2 4.03Å
212R98.4Very high97.6Very high102 Ų10262.4 Ų62.439%0.38531%0.311SS..Hα-helixtrans-57.6-48.1177.7-178.8177.5-176.4804.5111.6N208 D209 R210 I216 F235 I237N208-R212 WeakPolarHBondContact O-CB 3.16Å; N208-R212 PolarHBondContact O-N 3.42Å; D209-R212 PolarHBondContact O-N 2.9Å; R210-R212 VanDerWaalsContact C-N 3.32Å; R210-R212 PolarHBondContact O-N 2.92Å; R212-I216 HydrophobicContact CG-CD1 3.84Å; R212-I216 WeakPolarHBondContact O-CB 3.48Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.35Å; R212-I216 PolarHBondContact O-N 3.37Å; R212-F235 PolarHBondContact NH1-O 3.31Å; R212-F235 PolarHBondContact NH2-O 2.65Å; R212-I237 HydrophobicContact CB-CB 4.31Å; R212-I237 HydrophobicContact CB-CG1 4.46Å; R212-I237 HydrophobicContact CG-CB 4.32Å; R212-I237 HydrophobicContact CG-CG1 4.04Å
213Q98.3Very high97.7Very high133 Ų13363.7 Ų63.762%0.62132%0.319SS*.Hα-helixtrans-63.6-52.9-179.9-176.5-179.11.800111.8D209 R210 I211 V215 I216 E217D209-Q213 WeakPolarHBondContact O-CB 3.45Å; D209-Q213 PolarHBondContact O-N 3.41Å; R210-Q213 PolarHBondContact O-N 2.65Å; I211-Q213 PolarHBondContact O-N 3.24Å; Q213-V215 VanDerWaalsContact C-N 3.35Å; Q213-V215 PolarHBondContact O-N 3.36Å; Q213-I216 PolarHBondContact O-N 3.28Å; Q213-E217 HydrophobicContact CG-CG 4.45Å; Q213-E217 WeakPolarHBondContact O-CB 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.19Å; Q213-E217 PolarHBondContact O-N 2.88Å
214D98.5Very high97.8Very high21 Ų2161.6 Ų61.611%0.11231%0.308CS..Hα-helixtrans-60.7-43.1-178.7-82.2-43.5000111.4I169 Y171 R210 I211 K218I169-D214 HydrophobicContact CD1-CB 4.06Å; Y171-D214 WeakPolarHBondContact CE1-OD2 3.21Å; Y171-D214 VanDerWaalsContact OH-CB 3.24Å; Y171-D214 WeakPolarHBondContact OH-CB 3.42Å; Y171-D214 PolarHBondContact OH-OD2 3.1Å; R210-D214 IonicContact NE-OD2 3.09Å; R210-D214 WeakPolarHBondContact O-CB 3.15Å; R210-D214 PolarHBondContact O-N 2.96Å; I211-D214 PolarHBondContact O-N 3.27Å; D214-K218 WeakPolarHBondContact O-CA 3.36Å; D214-K218 VanDerWaalsContact O-CB 3.25Å; D214-K218 WeakPolarHBondContact O-CB 3.35Å; D214-K218 PolarHBondContact O-N 3.43Å; D214-K218 WeakPolarHBondContact OD1-CE 3.4Å; D214-K218 IonicContact OD1-NZ 2.66Å; D214-K218 PolarHBondContact OD1-NZ 2.85Å
215V98.6Very high98Very high1 Ų162 Ų621%0.00631%0.311CS..Iπ-helixtrans-65.5-43.5178.9172.70000111.4L160 I198 T200 I211 Q213 V219 I220 I237L160-V215 HydrophobicContact CD2-CG2 4.32Å; I198-V215 HydrophobicContact CB-CG1 3.97Å; I198-V215 HydrophobicContact CG1-CG1 3.9Å; I198-V215 HydrophobicContact CG2-CG1 3.86Å; T200-V215 HydrophobicContact CG2-CG2 4.37Å; I211-V215 HydrophobicContact CG2-CG2 4.15Å; I211-V215 VanDerWaalsContact O-CB 3.3Å; I211-V215 WeakPolarHBondContact O-CB 3.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.34Å; I211-V215 PolarHBondContact O-N 3.46Å; Q213-V215 VanDerWaalsContact C-N 3.35Å; Q213-V215 PolarHBondContact O-N 3.36Å; V215-V219 HydrophobicContact CG1-CB 4.36Å; V215-V219 WeakPolarHBondContact O-CA 3.5Å; V215-V219 WeakPolarHBondContact O-CB 3.33Å; V215-V219 PolarHBondContact O-N 2.85Å; V215-V219 VanDerWaalsContact O-N 3.14Å; V215-I220 HydrophobicContact CG1-CD1 4.13Å; V215-I220 HydrophobicContact CG1-CG1 4.24Å; V215-I220 PolarHBondContact O-N 3.4Å; V215-I237 HydrophobicContact CB-CD1 4.46Å; V215-I237 HydrophobicContact CB-CG2 4.01Å; V215-I237 HydrophobicContact CG1-CD1 3.76Å; V215-I237 HydrophobicContact CG1-CG1 4.44Å; V215-I237 HydrophobicContact CG1-CG2 4.14Å; V215-I237 HydrophobicContact CG2-CG2 4.08Å
216I98.4Very high98.1Very high22 Ų2262.1 Ų62.111%0.11331%0.311CS..Iπ-helixtrans-63.9-50.5178.4-70.5170.7000110.6R212 Q213 I220 K221 F235 I237R212-I216 HydrophobicContact CG-CD1 3.84Å; R212-I216 WeakPolarHBondContact O-CB 3.48Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.35Å; R212-I216 PolarHBondContact O-N 3.37Å; Q213-I216 PolarHBondContact O-N 3.28Å; I216-I220 HydrophobicContact CG1-CD1 4.3Å; I216-K221 WeakPolarHBondContact O-CG 3.45Å; I216-K221 PolarHBondContact O-N 2.95Å; I216-F235 HydrophobicContact CD1-CB 4.13Å; I216-F235 HydrophobicContact CD1-CD2 4.4Å; I216-F235 HydrophobicContact CD1-CG 4.33Å; I216-F235 HydrophobicContact CG1-CB 4.4Å; I216-F235 HydrophobicContact CG1-CG 4.41Å; I216-I237 HydrophobicContact CG1-CD1 4.46Å; I216-I237 HydrophobicContact CG1-CG1 4.31Å
217E98.3Very high98.1Very high96 Ų9668.9 Ų68.945%0.44934%0.339SS..Iπ-helixtrans-75.6-43.3-172.2-63.5-54.2136.900113.3Q213 K221Q213-E217 HydrophobicContact CG-CG 4.45Å; Q213-E217 WeakPolarHBondContact O-CB 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.19Å; Q213-E217 PolarHBondContact O-N 2.88Å; E217-K221 WeakPolarHBondContact OE1-CE 3.34Å; E217-K221 IonicContact OE1-NZ 2.68Å; E217-K221 PolarHBondContact OE1-NZ 2.95Å; E217-K221 WeakPolarHBondContact OE2-CD 3.49Å; E217-K221 IonicContact OE2-NZ 2.9Å; E217-K221 PolarHBondContact OE2-NZ 3.46Å
218K98.6Very high98.2Very high67 Ų6766 Ų6629%0.29132%0.319SS..Iπ-helixtrans-97.9-19-171.3-59.2175173.3165.20114.1K159 L163 I169 D214 A222K159-K218 WeakPolarHBondContact CE-O 3.47Å; L163-K218 HydrophobicContact CD1-CB 3.86Å; I169-K218 HydrophobicContact CD1-CB 4.39Å; I169-K218 HydrophobicContact CD1-CD 3.97Å; I169-K218 HydrophobicContact CG1-CD 4.11Å; D214-K218 WeakPolarHBondContact O-CA 3.36Å; D214-K218 VanDerWaalsContact O-CB 3.25Å; D214-K218 WeakPolarHBondContact O-CB 3.35Å; D214-K218 PolarHBondContact O-N 3.43Å; D214-K218 WeakPolarHBondContact OD1-CE 3.4Å; D214-K218 IonicContact OD1-NZ 2.66Å; D214-K218 PolarHBondContact OD1-NZ 2.85Å; K218-A222 WeakPolarHBondContact O-CB 3.38Å
219V98.8Very high98.3Very high0 Ų064.3 Ų64.30%031%0.309CS..Iπ-helixtrans-109.6-64.2-179.1-173.80000110.4L156 K159 L160 L163 V215 A222 V223L156-V219 HydrophobicContact CD2-CG1 3.96Å; K159-V219 HydrophobicContact CB-CG1 4.16Å; K159-V219 HydrophobicContact CG-CB 4.42Å; K159-V219 HydrophobicContact CG-CG1 4.12Å; L160-V219 HydrophobicContact CD2-CG1 4.45Å; L160-V219 HydrophobicContact CD2-CG2 3.7Å; L160-V219 HydrophobicContact CG-CG1 3.94Å; L160-V219 HydrophobicContact CG-CG2 4.03Å; L163-V219 HydrophobicContact CD1-CG2 3.69Å; V215-V219 HydrophobicContact CG1-CB 4.36Å; V215-V219 WeakPolarHBondContact O-CA 3.5Å; V215-V219 WeakPolarHBondContact O-CB 3.33Å; V215-V219 PolarHBondContact O-N 2.85Å; V215-V219 VanDerWaalsContact O-N 3.14Å; V219-A222 PolarHBondContact O-N 3.31Å; V219-V223 WeakPolarHBondContact O-CB 3.49Å; V219-V223 WeakPolarHBondContact O-CG2 3.33Å; V219-V223 PolarHBondContact O-N 2.84Å
220I98.7Very high98.3Very high0 Ų061 Ų610%029%0.292CS..Iπ-helixtrans-66.8-53.4-169.4-64.7176.9000111.3L156 V196 I198 V215 I216 A222 V223 I224 F235 I237L156-I220 HydrophobicContact CD2-CB 4.47Å; L156-I220 HydrophobicContact CD2-CG1 4.03Å; V196-I220 HydrophobicContact CB-CD1 4.34Å; V196-I220 HydrophobicContact CG1-CD1 3.8Å; V196-I220 HydrophobicContact CG1-CG1 4.19Å; I198-I220 HydrophobicContact CG1-CD1 4.31Å; V215-I220 HydrophobicContact CG1-CD1 4.13Å; V215-I220 HydrophobicContact CG1-CG1 4.24Å; V215-I220 PolarHBondContact O-N 3.4Å; I216-I220 HydrophobicContact CG1-CD1 4.3Å; I220-A222 PolarHBondContact O-N 3Å; I220-V223 PolarHBondContact O-N 3.47Å; I220-I224 HydrophobicContact CG2-CD1 3.91Å; I220-I224 HydrophobicContact CG2-CG1 4.37Å; I220-I224 PolarHBondContact O-N 3.15Å; I220-F235 HydrophobicContact CD1-CD1 3.8Å; I220-F235 HydrophobicContact CD1-CE1 4.31Å; I220-F235 HydrophobicContact CG2-CD1 4.22Å; I220-F235 HydrophobicContact CG2-CE1 3.66Å; I220-F235 HydrophobicContact CG2-CZ 4.5Å; I220-I237 HydrophobicContact CD1-CD1 3.77Å
221K98.4Very high98.3Very high110 Ų11062.3 Ų62.348%0.47831%0.308SS..Hα-helixtrans-65.7-24.4178.9-72.7179.8177.9174.30113.5I216 E217I216-K221 WeakPolarHBondContact O-CG 3.45Å; I216-K221 PolarHBondContact O-N 2.95Å; E217-K221 WeakPolarHBondContact OE1-CE 3.34Å; E217-K221 IonicContact OE1-NZ 2.68Å; E217-K221 PolarHBondContact OE1-NZ 2.95Å; E217-K221 WeakPolarHBondContact OE2-CD 3.49Å; E217-K221 IonicContact OE2-NZ 2.9Å; E217-K221 PolarHBondContact OE2-NZ 3.46Å
222A98.2Very high98.2Very high65 Ų6569.3 Ų69.354%0.53734%0.338SS..Hα-helixtrans-78.1-28.3176.500000112.8K218 V219 I220K218-A222 WeakPolarHBondContact O-CB 3.38Å; V219-A222 PolarHBondContact O-N 3.31Å; I220-A222 PolarHBondContact O-N 3Å
223V98.5Very high98.2Very high28 Ų2865 Ų6517%0.1732%0.324CS..Hα-helixtrans-99-45-174.5167.30000112.4K155 L156 K159 V219 I220 P225K155-V223 HydrophobicContact CB-CG1 3.39Å; K155-V223 HydrophobicContact CB-CG2 4.39Å; L156-V223 HydrophobicContact CD2-CB 3.94Å; L156-V223 HydrophobicContact CD2-CG1 4Å; L156-V223 HydrophobicContact CD2-CG2 4.39Å; L156-V223 HydrophobicContact CG-CB 4.47Å; L156-V223 HydrophobicContact CG-CG1 3.99Å; K159-V223 HydrophobicContact CB-CG2 3.65Å; K159-V223 HydrophobicContact CG-CG2 3.96Å; V219-V223 WeakPolarHBondContact O-CB 3.49Å; V219-V223 WeakPolarHBondContact O-CG2 3.33Å; V219-V223 PolarHBondContact O-N 2.84Å; I220-V223 PolarHBondContact O-N 3.47Å; V223-P225 WeakPolarHBondContact O-CD 3.33Å
224I98.6Very high98.2Very high2 Ų262.9 Ų62.91%0.0131%0.312CS..SBendtrans-87.9119.4-174.4-53.7-174.1000108.7L152 L156 V193 V196 I220 E226 L229L152-I224 HydrophobicContact CD1-CG1 4.44Å; L152-I224 HydrophobicContact CD1-CG2 4.24Å; L152-I224 HydrophobicContact CD2-CG1 4.33Å; L156-I224 HydrophobicContact CD1-CD1 4.45Å; L156-I224 HydrophobicContact CD2-CG1 4.41Å; V193-I224 HydrophobicContact CG1-CD1 4.48Å; V193-I224 HydrophobicContact CG2-CD1 4.44Å; V193-I224 HydrophobicContact CG2-CG2 3.99Å; V196-I224 HydrophobicContact CG2-CD1 3.61Å; I220-I224 HydrophobicContact CG2-CD1 3.91Å; I220-I224 HydrophobicContact CG2-CG1 4.37Å; I220-I224 PolarHBondContact O-N 3.15Å; I224-E226 PolarHBondContact O-N 3.21Å; I224-L229 HydrophobicContact CB-CD1 4.15Å; I224-L229 HydrophobicContact CB-CD2 4.23Å; I224-L229 HydrophobicContact CB-CG 4.2Å; I224-L229 HydrophobicContact CD1-CD2 4.25Å; I224-L229 HydrophobicContact CG2-CD1 4.28Å; I224-L229 HydrophobicContact CG2-CD2 3.78Å; I224-L229 HydrophobicContact CG2-CG 3.78Å
225P98.1Very high98.2Very high59 Ų5964.1 Ų64.138%0.38332%0.317SS..  trans-53.4135.5175.6-27.234.5000112V223 K227 Y228V223-P225 WeakPolarHBondContact O-CD 3.33Å; P225-K227 HydrophobicContact CB-CG 4.02Å; P225-K227 PolarHBondContact O-N 3.22Å; P225-Y228 HydrophobicContact CB-CD2 4.04Å; P225-Y228 HydrophobicContact CB-CE2 4.41Å; P225-Y228 HydrophobicContact CG-CD2 4.09Å; P225-Y228 HydrophobicContact CG-CE2 4.24Å; P225-Y228 PolarHBondContact O-N 3.07Å
226E97.7Very high98.2Very high173 Ų17368.8 Ų68.881%0.80834%0.337SS*.G310 helixtrans-52.8-34.9-176.4-173.6177.8-173.700112.8I224 Y228 L229I224-E226 PolarHBondContact O-N 3.21Å; E226-Y228 PolarHBondContact O-N 3.42Å; E226-L229 PolarHBondContact O-N 2.6Å; E226-L229 VanDerWaalsContact O-O 3.1Å
227K97.8Very high98.2Very high153 Ų15368.5 Ų68.567%0.66534%0.336SS*.G310 helixtrans-57-19.2176.464.4166.8178.8164.40115P225P225-K227 HydrophobicContact CB-CG 4.02Å; P225-K227 PolarHBondContact O-N 3.22Å
228Y98.5Very high98.2Very high23 Ų2364.2 Ų64.29%0.0932%0.316CS..G310 helixtrans-102.4-4.5178.1-60.6-49.7000113.3L148 P190 V193 P225 E226L148-Y228 HydrophobicContact CD1-CE2 3.89Å; L148-Y228 HydrophobicContact CD2-CD1 4.46Å; L148-Y228 HydrophobicContact CD2-CD2 4.11Å; L148-Y228 HydrophobicContact CD2-CE1 4.12Å; L148-Y228 HydrophobicContact CD2-CE2 3.71Å; L148-Y228 HydrophobicContact CD2-CG 4.46Å; L148-Y228 HydrophobicContact CG-CE2 4.48Å; P190-Y228 HydrophobicContact CB-CE1 4.32Å; V193-Y228 PolarHBondContact N-O 3.25Å; P225-Y228 HydrophobicContact CB-CD2 4.04Å; P225-Y228 HydrophobicContact CB-CE2 4.41Å; P225-Y228 HydrophobicContact CG-CD2 4.09Å; P225-Y228 HydrophobicContact CG-CE2 4.24Å; P225-Y228 PolarHBondContact O-N 3.07Å; E226-Y228 PolarHBondContact O-N 3.42Å
229L98.4Very high98.1Very high37 Ų3764.7 Ų64.719%0.19433%0.326CS..  trans-106.3132.2178.5-64.7179.1000109.9V193 I224 E226 T233 F235V193-L229 HydrophobicContact CB-CD2 4.45Å; I224-L229 HydrophobicContact CB-CD1 4.15Å; I224-L229 HydrophobicContact CB-CD2 4.23Å; I224-L229 HydrophobicContact CB-CG 4.2Å; I224-L229 HydrophobicContact CD1-CD2 4.25Å; I224-L229 HydrophobicContact CG2-CD1 4.28Å; I224-L229 HydrophobicContact CG2-CD2 3.78Å; I224-L229 HydrophobicContact CG2-CG 3.78Å; E226-L229 PolarHBondContact O-N 2.6Å; E226-L229 VanDerWaalsContact O-O 3.1Å; L229-T233 HydrophobicContact CD2-CG2 3.92Å; L229-F235 HydrophobicContact CD2-CE1 4.23Å; L229-F235 HydrophobicContact CD2-CZ 4.17Å
230D97.4Very high97.9Very high61 Ų6170.4 Ų70.433%0.32636%0.361SS..  trans-138.5-179.7174.966.112.5000112.2R192 K232 T233R192-D230 VanDerWaalsContact CD-OD2 3.26Å; R192-D230 WeakPolarHBondContact CD-OD2 3.35Å; R192-D230 IonicContact CZ-OD1 3.31Å; R192-D230 IonicContact CZ-OD2 3.55Å; R192-D230 IonicContact NE-OD1 3.58Å; R192-D230 PolarHBondContact NE-OD1 3.19Å; R192-D230 VanDerWaalsContact NE-OD1 3.12Å; R192-D230 IonicContact NE-OD2 3.44Å; R192-D230 PolarHBondContact NE-OD2 2.96Å; R192-D230 IonicContact NH2-OD1 2.76Å; R192-D230 PolarHBondContact NH2-OD1 2.62Å; R192-D230 IonicContact NH2-OD2 2.64Å; D230-K232 PolarHBondContact O-N 3.4Å; D230-K232 VanDerWaalsContact O-N 3.15Å; D230-K232 WeakPolarHBondContact OD1-CA 3.46Å; D230-K232 WeakPolarHBondContact OD1-CB 3.42Å; D230-K232 PolarHBondContact OD1-N 3.12Å; D230-T233 PolarHBondContact N-OG1 2.75Å; D230-T233 VanDerWaalsContact N-OG1 3.16Å; D230-T233 WeakPolarHBondContact O-CB 3.44Å; D230-T233 PolarHBondContact O-N 2.92Å; D230-T233 VanDerWaalsContact O-N 3.1Å; D230-T233 PolarHBondContact O-OG1 2.97Å; D230-T233 PolarHBondContact OD1-N 2.99Å; D230-T233 PolarHBondContact OD1-OG1 2.74Å
231D97.3Very high97.7Very high154 Ų15471.5 Ų71.582%0.82437%0.372SS*.THydrogen-bonded Turntrans-64.3-13.2178.765.5-16.9000113.7
232K97Very high97.5Very high148 Ų14873.8 Ų73.864%0.64338%0.377SS*.THydrogen-bonded Turntrans-96.4-9.1176.6-63.9169.8-172.5172.10112.9R192 D230 K234R192-K232 VanDerWaalsContact NH2-C 3.27Å; R192-K232 PolarHBondContact NH2-O 3.47Å; D230-K232 PolarHBondContact O-N 3.4Å; D230-K232 VanDerWaalsContact O-N 3.15Å; D230-K232 WeakPolarHBondContact OD1-CA 3.46Å; D230-K232 WeakPolarHBondContact OD1-CB 3.42Å; D230-K232 PolarHBondContact OD1-N 3.12Å; K232-K234 PolarHBondContact O-N 3.14Å
233T98.4Very high97.4Very high12 Ų1272.3 Ų72.37%0.07436%0.359CS..  trans-65.4126.7178.3-59.90000110.3R192 V193 L229 D230 F235R192-T233 VanDerWaalsContact NH2-N 3.19Å; R192-T233 PolarHBondContact NH2-OG1 2.66Å; V193-T233 HydrophobicContact CG1-CG2 4.18Å; V193-T233 WeakPolarHBondContact O-CG2 3.33Å; V193-T233 PolarHBondContact O-OG1 3.23Å; L229-T233 HydrophobicContact CD2-CG2 3.92Å; D230-T233 PolarHBondContact N-OG1 2.75Å; D230-T233 VanDerWaalsContact N-OG1 3.16Å; D230-T233 WeakPolarHBondContact O-CB 3.44Å; D230-T233 PolarHBondContact O-N 2.92Å; D230-T233 VanDerWaalsContact O-N 3.1Å; D230-T233 PolarHBondContact O-OG1 2.97Å; D230-T233 PolarHBondContact OD1-N 2.99Å; D230-T233 PolarHBondContact OD1-OG1 2.74Å; T233-F235 HydrophobicContact CG2-CD1 4.3Å; T233-F235 HydrophobicContact CG2-CE1 3.57Å; T233-F235 HydrophobicContact CG2-CE2 4.25Å; T233-F235 HydrophobicContact CG2-CZ 3.56Å
234K98.5Very high97.3Very high89 Ų8972.4 Ų72.439%0.38736%0.36SS..EExtended strand (participates in β ladder)trans-92.6131.4-179.6-58.2171.2-160.71410110.3D194 T195 V196 K232 F236D194-K234 PolarHBondContact O-N 2.79Å; D194-K234 IonicContact OD1-NZ 3.92Å; D194-K234 IonicContact OD2-NZ 2.81Å; D194-K234 PolarHBondContact OD2-NZ 2.67Å; D194-K234 VanDerWaalsContact OD2-NZ 3.16Å; T195-K234 WeakPolarHBondContact CA-O 3.37Å; T195-K234 HydrophobicContact CG2-CB 4.36Å; V196-K234 PolarHBondContact N-O 2.92Å; K232-K234 PolarHBondContact O-N 3.14Å; K234-F236 HydrophobicContact CB-CD2 4.46Å; K234-F236 HydrophobicContact CB-CE2 3.87Å; K234-F236 HydrophobicContact CB-CZ 4.46Å; K234-F236 HydrophobicContact CD-CE2 4.33Å
235F98.6Very high97.1Very high46 Ų4677.7 Ų77.720%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-115.3111.1176.3-56-66.8000111.1V196 R212 I216 I220 L229 T233 I237V196-F235 HydrophobicContact CB-CD1 4.07Å; V196-F235 HydrophobicContact CB-CE1 4.45Å; V196-F235 HydrophobicContact CG2-CD1 4.32Å; V196-F235 HydrophobicContact CG2-CE1 4.2Å; R212-F235 PolarHBondContact NH1-O 3.31Å; R212-F235 PolarHBondContact NH2-O 2.65Å; I216-F235 HydrophobicContact CD1-CB 4.13Å; I216-F235 HydrophobicContact CD1-CD2 4.4Å; I216-F235 HydrophobicContact CD1-CG 4.33Å; I216-F235 HydrophobicContact CG1-CB 4.4Å; I216-F235 HydrophobicContact CG1-CG 4.41Å; I220-F235 HydrophobicContact CD1-CD1 3.8Å; I220-F235 HydrophobicContact CD1-CE1 4.31Å; I220-F235 HydrophobicContact CG2-CD1 4.22Å; I220-F235 HydrophobicContact CG2-CE1 3.66Å; I220-F235 HydrophobicContact CG2-CZ 4.5Å; L229-F235 HydrophobicContact CD2-CE1 4.23Å; L229-F235 HydrophobicContact CD2-CZ 4.17Å; T233-F235 HydrophobicContact CG2-CD1 4.3Å; T233-F235 HydrophobicContact CG2-CE1 3.57Å; T233-F235 HydrophobicContact CG2-CE2 4.25Å; T233-F235 HydrophobicContact CG2-CZ 3.56Å; F235-I237 HydrophobicContact CB-CD1 4.47Å
236F98.6Very high97Very high99 Ų9974.9 Ų74.943%0.43437%0.369SS..EExtended strand (participates in β ladder)trans-105.3100.1173.4-63-79.1000109.7T195 V196 V197 I198 K234 P239T195-F236 HydrophobicContact CG2-CD2 3.57Å; T195-F236 HydrophobicContact CG2-CE2 3.62Å; V196-F236 PolarHBondContact O-N 2.64Å; V197-F236 WeakPolarHBondContact CA-O 3.23Å; V197-F236 HydrophobicContact CB-CB 4.41Å; V197-F236 HydrophobicContact CG1-CB 4.12Å; V197-F236 HydrophobicContact CG2-CB 4.17Å; V197-F236 HydrophobicContact CG2-CD2 4.21Å; I198-F236 PolarHBondContact N-O 3.03Å; K234-F236 HydrophobicContact CB-CD2 4.46Å; K234-F236 HydrophobicContact CB-CE2 3.87Å; K234-F236 HydrophobicContact CB-CZ 4.46Å; K234-F236 HydrophobicContact CD-CE2 4.33Å; F236-P239 HydrophobicContact CB-CB 4.36Å; F236-P239 HydrophobicContact CB-CG 4.48Å
237I98.6Very high96.9Very high17 Ų1766.7 Ų66.79%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-106.7120.4-179.5-44.6-54.2000108.5I198 I211 R212 V215 I216 I220 F235I198-I237 HydrophobicContact CB-CD1 4.05Å; I198-I237 HydrophobicContact CG1-CD1 4.31Å; I198-I237 CarbonylContact O-C 3.52Å; I198-I237 WeakPolarHBondContact O-CA 3.3Å; I211-I237 HydrophobicContact CG2-CG2 4.03Å; R212-I237 HydrophobicContact CB-CB 4.31Å; R212-I237 HydrophobicContact CB-CG1 4.46Å; R212-I237 HydrophobicContact CG-CB 4.32Å; R212-I237 HydrophobicContact CG-CG1 4.04Å; V215-I237 HydrophobicContact CB-CD1 4.46Å; V215-I237 HydrophobicContact CB-CG2 4.01Å; V215-I237 HydrophobicContact CG1-CD1 3.76Å; V215-I237 HydrophobicContact CG1-CG1 4.44Å; V215-I237 HydrophobicContact CG1-CG2 4.14Å; V215-I237 HydrophobicContact CG2-CG2 4.08Å; I216-I237 HydrophobicContact CG1-CD1 4.46Å; I216-I237 HydrophobicContact CG1-CG1 4.31Å; I220-I237 HydrophobicContact CD1-CD1 3.77Å; F235-I237 HydrophobicContact CB-CD1 4.47Å
238N98.3Very high96.8Very high6 Ų659.4 Ų59.43%0.03230%0.299CS..SBendtrans4360.2-171.8-7016.5000112.2I198 S199 T200 H202 T240 G241I198-N238 PolarHBondContact O-N 3.09Å; S199-N238 VanDerWaalsContact CA-OD1 3.32Å; S199-N238 WeakPolarHBondContact CA-OD1 3.44Å; T200-N238 PolarHBondContact N-OD1 2.98Å; T200-N238 PolarHBondContact O-ND2 2.95Å; H202-N238 PolarHBondContact CD2-ND2 2.55Å; N238-T240 PolarHBondContact O-N 2.83Å; N238-G241 WeakPolarHBondContact CB-O 3.47Å; N238-G241 PolarHBondContact O-N 2.89Å
239P96.6Very high96.6Very high76 Ų7661.7 Ų61.749%0.49431%0.31SS..THydrogen-bonded Turntrans-61.6-18.9-17225.2-35000114.5V197 F236 G241V197-P239 HydrophobicContact CG1-CG 4.11Å; F236-P239 HydrophobicContact CB-CB 4.36Å; F236-P239 HydrophobicContact CB-CG 4.48Å; P239-G241 VanDerWaalsContact C-N 3.32Å
240T93.5Very high96.3Very high121 Ų12161.7 Ų61.774%0.74232%0.319SS*.THydrogen-bonded Turntrans-86.91.1174.955.80000113.5N238N238-T240 PolarHBondContact O-N 2.83Å
241G94.2Very high96.2Very high22 Ų2262.8 Ų62.823%0.22733%0.325CS..SBendtrans92.8-108.6-177.500000112.1N208 N238 P239N208-G241 PolarHBondContact OD1-O 3.11Å; N238-G241 WeakPolarHBondContact CB-O 3.47Å; N238-G241 PolarHBondContact O-N 2.89Å; P239-G241 VanDerWaalsContact C-N 3.32Å
242R94.2Very high96.2Very high158 Ų15859.3 Ų59.360%0.59631%0.313SS*.  trans-90.1136.3-173.2-6717667.6112.43.4111.1P204P204-R242 VanDerWaalsContact CB-NH2 3.34Å; P204-R242 PolarHBondContact O-NH2 3.05Å; P204-R242 VanDerWaalsContact O-NH2 3.14Å
243F96.8Very high96.3Very high34 Ų3452.3 Ų52.315%0.14928%0.283CS..  trans-127.872.2171.8-166.8-169.4000110D175 Q201 H202 I245D175-F243 HydrophobicContact CB-CZ 4.35Å; D175-F243 WeakPolarHBondContact OD2-CZ 3.47Å; Q201-F243 CarbonylContact C-O 3.52Å; Q201-F243 WeakPolarHBondContact CA-O 3.47Å; Q201-F243 HydrophobicContact CB-CD1 4.29Å; Q201-F243 HydrophobicContact CB-CE1 4.38Å; Q201-F243 HydrophobicContact CB-CG 4.4Å; Q201-F243 WeakPolarHBondContact CG-O 3.48Å; H202-F243 PolarHBondContact CD2-O 3.18Å; H202-F243 PolarHBondContact N-O 3.45Å; H202-F243 PolarHBondContact NE2-N 2.96Å; F243-I245 WeakPolarHBondContact CD2-O 3.47Å; F243-I245 WeakPolarHBondContact CE2-O 3.33Å
244V96Very high96.3Very high30 Ų3055 Ų5518%0.18230%0.296CS..  trans-92-42.8-176.6178.60000111.8R173 Q201 H202 P204R173-V244 PolarHBondContact NH1-O 3.02Å; R173-V244 VanDerWaalsContact NH1-O 3.14Å; Q201-V244 PolarHBondContact NE2-O 3.06Å; H202-V244 WeakPolarHBondContact O-CA 3.45Å; P204-V244 HydrophobicContact CB-CG1 4.24Å; P204-V244 HydrophobicContact CB-CG2 4.28Å
245I94.7Very high96.3Very high113 Ų11351.3 Ų51.358%0.57928%0.281SS*.SBendtrans-90.1126174.2-56.5175.4000107.4F243 Q249F243-I245 WeakPolarHBondContact CD2-O 3.47Å; F243-I245 WeakPolarHBondContact CE2-O 3.33Å; I245-Q249 HydrophobicContact CG2-CB 4.3Å; I245-Q249 HydrophobicContact CG2-CG 3.75Å
246G95Very high96.3Very high1 Ų149.9 Ų49.91%0.0128%0.279CS..  trans-157-173.8-178.300000110.5Q201Q201-G246 VanDerWaalsContact NE2-N 3.12Å
247G95.6Very high96.3Very high0 Ų052.3 Ų52.30%029%0.285CS..G310 helixtrans64.7-157.2-175.100000112.9Y79 D175 Q249 G250 D251Y79-G247 WeakPolarHBondContact OH-CA 3.39Å; Y79-G247 PolarHBondContact OH-N 3.49Å; D175-G247 PolarHBondContact OD2-N 2.59Å; G247-Q249 PolarHBondContact O-N 2.81Å; G247-G250 PolarHBondContact O-N 2.52Å; G247-D251 PolarHBondContact O-N 3.09Å
248P95.9Very high96.3Very high1 Ų153.2 Ų53.21%0.00629%0.289CS..G310 helixtrans-62.1-16.3-178.6-26.237.5000114.9P17 I20 V47 Y48 T49 F86 D251P17-P248 HydrophobicContact CB-CG 4.18Å; I20-P248 HydrophobicContact CD1-CG 3.64Å; V47-P248 HydrophobicContact CB-CB 4.3Å; V47-P248 HydrophobicContact CB-CG 4.07Å; V47-P248 HydrophobicContact CG2-CB 4.27Å; V47-P248 HydrophobicContact CG2-CG 3.84Å; Y48-P248 CarbonylContact C-O 3.56Å; T49-P248 PolarHBondContact N-O 2.64Å; T49-P248 VanDerWaalsContact N-O 3.12Å; F86-P248 HydrophobicContact CB-CB 4.39Å; F86-P248 HydrophobicContact CB-CG 4.47Å; F86-P248 HydrophobicContact CD1-CB 4.42Å; F86-P248 HydrophobicContact CD1-CG 3.79Å; F86-P248 HydrophobicContact CD2-CB 3.54Å; F86-P248 HydrophobicContact CD2-CG 3.79Å; F86-P248 HydrophobicContact CE1-CG 3.83Å; F86-P248 HydrophobicContact CE2-CB 3.77Å; F86-P248 HydrophobicContact CE2-CG 3.81Å; F86-P248 HydrophobicContact CG-CB 3.89Å; F86-P248 HydrophobicContact CG-CG 3.77Å; F86-P248 HydrophobicContact CZ-CB 4.32Å; F86-P248 HydrophobicContact CZ-CG 3.84Å; P248-D251 VanDerWaalsContact CA-O 3.25Å; P248-D251 WeakPolarHBondContact CA-O 3.44Å
249Q94Very high96.4Very high70 Ų7054.7 Ų54.733%0.32730%0.297SS..G310 helixtrans-73.9-32.3172.5-177.564.239.600112.3G85 I245 G247G85-Q249 PolarHBondContact O-OE1 2.78Å; G85-Q249 VanDerWaalsContact O-OE1 3.07Å; I245-Q249 HydrophobicContact CG2-CB 4.3Å; I245-Q249 HydrophobicContact CG2-CG 3.75Å; G247-Q249 PolarHBondContact O-N 2.81Å
250G93.2Very high96.5Very high37 Ų3754.5 Ų54.538%0.38129%0.291SS..THydrogen-bonded Turntrans-86.8-50179.200000112.2G247G247-G250 PolarHBondContact O-N 2.52Å
251D95.2Very high96.7Very high84 Ų8449 Ų4945%0.44926%0.257SS..SBendtrans-136.9145.9-174.6-61.8-24.9000110P17 K177 G247 P248P17-D251 WeakPolarHBondContact CB-O 3.29Å; P17-D251 HydrophobicContact CG-CB 4Å; P17-D251 WeakPolarHBondContact CG-O 3.49Å; K177-D251 IonicContact NZ-OD2 3.21Å; G247-D251 PolarHBondContact O-N 3.09Å; P248-D251 VanDerWaalsContact CA-O 3.25Å; P248-D251 WeakPolarHBondContact CA-O 3.44Å
252S97.9Very high96.9Very high82 Ų8248.1 Ų48.157%0.57325%0.247SC*.  trans-71.6150.5169.8-53.70000111.4V47V47-S252 CarbonylContact O-C 3.54Å; V47-S252 WeakPolarHBondContact O-CA 3.09Å
253G98.6Very high97.2Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-127.6143.7178.400000112.6D18 A46 V47D18-G253 WeakPolarHBondContact OD1-CA 3.38Å; A46-G253 CarbonylContact C-O 3.58Å; A46-G253 WeakPolarHBondContact CA-O 3.1Å; V47-G253 PolarHBondContact N-O 2.77Å; V47-G253 PolarHBondContact O-N 2.8Å
254L98.8Very high97.3Very high70 Ų7039.3 Ų39.337%0.36621%0.213SC..EExtended strand (participates in β ladder)trans-135.4150.2174.6-59.482.3000110.5D18 T45 A46 R257D18-L254 PolarHBondContact OD1-N 2.86Å; T45-L254 WeakPolarHBondContact O-CA 3.35Å; A46-L254 HydrophobicContact CB-CG 4.41Å; L254-R257 HydrophobicContact CB-CG 3.74Å; L254-R257 WeakPolarHBondContact O-CG 3.39Å
255T98.9Very high97.4Very high10 Ų1038.1 Ų38.16%0.06121%0.207CC..THydrogen-bonded Turntrans-57.5141.4172.5-56.40000110D22 S25 E44 T45 R257D22-T255 WeakPolarHBondContact OD1-CA 3.4Å; S25-T255 PolarHBondContact OG-OG1 2.95Å; S25-T255 VanDerWaalsContact OG-OG1 3.05Å; E44-T255 WeakPolarHBondContact OE2-CB 3.25Å; E44-T255 WeakPolarHBondContact OE2-CG2 3.29Å; T45-T255 WeakPolarHBondContact CA-OG1 3.47Å; T45-T255 WeakPolarHBondContact CB-OG1 3.48Å; T45-T255 PolarHBondContact N-OG1 2.86Å; T45-T255 PolarHBondContact O-N 2.92Å; T45-T255 PolarHBondContact O-OG1 3.02Å; T45-T255 VanDerWaalsContact O-OG1 3.11Å; T255-R257 VanDerWaalsContact C-N 3.31Å; T255-R257 PolarHBondContact O-N 3.04Å
256G98.6Very high97.5Very high16 Ų1634.8 Ų34.817%0.16520%0.201CC..THydrogen-bonded Turntrans71.519.7175.300000115.1D22 I259 A274D22-G256 PolarHBondContact OD1-N 2.76Å; G256-I259 WeakPolarHBondContact O-CG2 3.21Å; G256-A274 VanDerWaalsContact CA-CB 3.42Å
257R98.7Very high97.6Very high150 Ų15037 Ų3757%0.56621%0.209SC*.SBendtrans-989.5176.5-64.6-58.6-56.6-71.2-3.6114.3D18 L254 T255D18-R257 HydrophobicContact CB-CB 4.21Å; D18-R257 WeakPolarHBondContact OD1-CB 3.34Å; L254-R257 HydrophobicContact CB-CG 3.74Å; L254-R257 WeakPolarHBondContact O-CG 3.39Å; T255-R257 VanDerWaalsContact C-N 3.31Å; T255-R257 PolarHBondContact O-N 3.04Å
258K98.7Very high97.7Very high37 Ų3737.7 Ų37.716%0.16122%0.215CC..  trans-129.825.8179-69.7-70.7166.3-72.20113.3V12 H16 D18 K19 I260 V261 D262V12-K258 HydrophobicContact CG1-CD 4.49Å; V12-K258 HydrophobicContact CG2-CD 4Å; V12-K258 HydrophobicContact CG2-CG 4.28Å; H16-K258 VanDerWaalsContact CE1-CE 3.49Å; H16-K258 WeakPolarHBondContact CE1-CE 3.46Å; D18-K258 HydrophobicContact CB-CG 3.73Å; D18-K258 WeakPolarHBondContact OD2-CE 3.49Å; D18-K258 IonicContact OD2-NZ 2.73Å; D18-K258 PolarHBondContact OD2-NZ 2.88Å; K19-K258 HydrophobicContact CD-CB 4.19Å; K19-K258 HydrophobicContact CD-CG 4.34Å; K258-I260 VanDerWaalsContact C-N 3.26Å; K258-I260 PolarHBondContact O-N 3.19Å; K258-V261 HydrophobicContact CB-CB 4.23Å; K258-V261 HydrophobicContact CD-CG2 4Å; K258-V261 CarbonylContact O-C 3.48Å; K258-V261 WeakPolarHBondContact O-CA 3.34Å; K258-V261 VanDerWaalsContact O-CB 3.28Å; K258-V261 WeakPolarHBondContact O-CB 3.49Å; K258-V261 PolarHBondContact O-N 2.92Å; K258-D262 PolarHBondContact O-N 3.06Å
259I98.7Very high97.9Very high37 Ų3743.1 Ų43.119%0.1924%0.236CC..Hα-helixtrans-54.2-32.5-175.868.9-173.1000115.5G256 D262 T263 A274G256-I259 WeakPolarHBondContact O-CG2 3.21Å; I259-D262 PolarHBondContact O-N 3.32Å; I259-T263 WeakPolarHBondContact O-CG2 3.23Å; I259-T263 PolarHBondContact O-N 2.89Å; I259-T263 PolarHBondContact O-OG1 3.31Å; I259-A274 HydrophobicContact CG2-CB 4.04Å
260I98.8Very high98.1Very high72 Ų7241.8 Ų41.837%0.36923%0.229SC..Hα-helixtrans-76.6-34176.6-59.2-56.9000111.6K258 D262 T263 G265 H270K258-I260 VanDerWaalsContact C-N 3.26Å; K258-I260 PolarHBondContact O-N 3.19Å; I260-D262 VanDerWaalsContact C-N 3.31Å; I260-T263 PolarHBondContact O-OG1 2.76Å; I260-G265 WeakPolarHBondContact O-CA 3.17Å; I260-G265 PolarHBondContact O-N 2.87Å; I260-H270 HydrophobicContact CD1-CB 3.67Å
261V98.8Very high98.3Very high6 Ų641.1 Ų41.14%0.03622%0.222CC..Hα-helixtrans-66.4-38.4169.5176.30000109.2H154 K258 T263H154-V261 PolarHBondContact CE1-O 3.24Å; H154-V261 PolarHBondContact NE2-O 2.71Å; H154-V261 VanDerWaalsContact NE2-O 3.15Å; K258-V261 HydrophobicContact CB-CB 4.23Å; K258-V261 HydrophobicContact CD-CG2 4Å; K258-V261 CarbonylContact O-C 3.48Å; K258-V261 WeakPolarHBondContact O-CA 3.34Å; K258-V261 VanDerWaalsContact O-CB 3.28Å; K258-V261 WeakPolarHBondContact O-CB 3.49Å; K258-V261 PolarHBondContact O-N 2.92Å; V261-T263 PolarHBondContact O-N 2.95Å
262D98.8Very high98.4Very high2 Ų239.6 Ų39.61%0.01123%0.227CC..Hα-helixtrans-68.8-18-178.9-70-33.5000115.3K19 K258 I259 I260 F275 H372K19-D262 VanDerWaalsContact CE-OD1 3.25Å; K19-D262 WeakPolarHBondContact CE-OD1 3.27Å; K19-D262 IonicContact NZ-OD1 3.94Å; K19-D262 PolarHBondContact NZ-OD1 3.38Å; K19-D262 IonicContact NZ-OD2 2.7Å; K19-D262 PolarHBondContact NZ-OD2 3.29Å; K258-D262 PolarHBondContact O-N 3.06Å; I259-D262 PolarHBondContact O-N 3.32Å; I260-D262 VanDerWaalsContact C-N 3.31Å; D262-F275 HydrophobicContact CB-CD2 3.92Å; D262-F275 HydrophobicContact CB-CE2 3.93Å; D262-H372 PolarHBondContact O-N 3.06Å; D262-H372 IonicContact OD1-CD2 3.47Å; D262-H372 IonicContact OD1-NE2 3.18Å
263T98.9Very high98.4Very high5 Ų536.3 Ų36.33%0.03121%0.206CC..THydrogen-bonded Turntrans-113.5-105.7-174.453.40000111.9M146 I259 I260 V261 H270 F275 M373M146-T263 WeakPolarHBondContact CE-O 3.48Å; I259-T263 WeakPolarHBondContact O-CG2 3.23Å; I259-T263 PolarHBondContact O-N 2.89Å; I259-T263 PolarHBondContact O-OG1 3.31Å; I260-T263 PolarHBondContact O-OG1 2.76Å; V261-T263 PolarHBondContact O-N 2.95Å; T263-H270 WeakPolarHBondContact CG2-NE2 3.46Å; T263-H270 PolarHBondContact OG1-CD2 2.72Å; T263-F275 HydrophobicContact CG2-CE2 3.47Å; T263-F275 VanDerWaalsContact CG2-CE2 3.47Å; T263-F275 HydrophobicContact CG2-CZ 3.4Å; T263-M373 HydrophobicContact CG2-CE 4.46Å
264Y98.8Very high98.4Very high2 Ų237 Ų371%0.00821%0.211CC..THydrogen-bonded Turntrans-120.916.1-164.2-48.5-68.2000112.8G136 F137 M146 G266 Y267 A268 M373G136-Y264 WeakPolarHBondContact CA-OH 3.39Å; F137-Y264 HydrophobicContact CB-CD1 3.77Å; F137-Y264 HydrophobicContact CB-CD2 3.93Å; F137-Y264 HydrophobicContact CB-CE1 3.7Å; F137-Y264 HydrophobicContact CB-CE2 3.87Å; F137-Y264 HydrophobicContact CB-CG 3.88Å; F137-Y264 HydrophobicContact CD1-CD1 4.47Å; F137-Y264 PolarHBondContact N-OH 3.42Å; F137-Y264 WeakPolarHBondContact O-CE1 3.45Å; M146-Y264 HydrophobicContact CE-CD1 4Å; M146-Y264 HydrophobicContact SD-CD1 4.17Å; M146-Y264 HydrophobicContact SD-CE1 4.29Å; Y264-G266 PolarHBondContact O-N 2.86Å; Y264-G266 VanDerWaalsContact O-N 3.17Å; Y264-Y267 WeakPolarHBondContact O-CB 3.4Å; Y264-Y267 PolarHBondContact O-N 2.81Å; Y264-A268 HydrophobicContact CD2-CB 3.73Å; Y264-A268 HydrophobicContact CG-CB 3.95Å; Y264-M373 HydrophobicContact CE1-CB 4.24Å; Y264-M373 HydrophobicContact CE1-CG 3.94Å
265G98.4Very high98.4Very high6 Ų633.7 Ų33.76%0.06219%0.194CC..THydrogen-bonded Turntrans59.930.2173.800000114.6S9 I260 Y267S9-G265 WeakPolarHBondContact CB-O 3.37Å; S9-G265 PolarHBondContact OG-O 3.04Å; I260-G265 WeakPolarHBondContact O-CA 3.17Å; I260-G265 PolarHBondContact O-N 2.87Å; G265-Y267 VanDerWaalsContact C-N 3.3Å
266G97.8Very high98.4Very high43 Ų4333.3 Ų33.344%0.44319%0.191SC..THydrogen-bonded Turntrans84.8-2.6-178.500000114.4F7 Y264 A268F7-G266 WeakPolarHBondContact CZ-O 3.46Å; Y264-G266 PolarHBondContact O-N 2.86Å; Y264-G266 VanDerWaalsContact O-N 3.17Å; G266-A268 VanDerWaalsContact C-N 3.35Å
267Y97.4Very high98.4Very high46 Ų4632.5 Ų32.518%0.1818%0.183CC..SBendtrans-72-31.3-178.1-158.8-79.6000112.5F7 F137 I139 E141 P147 Y264 G265F7-Y267 AromaticContact CD1-CD2 3.93Å; F7-Y267 HydrophobicContact CD1-CD2 3.93Å; F7-Y267 AromaticContact CE1-CD2 3.8Å; F7-Y267 HydrophobicContact CE1-CD2 3.8Å; F7-Y267 HydrophobicContact CE1-CG 4.4Å; F7-Y267 HydrophobicContact CE2-CD2 4.47Å; F7-Y267 HydrophobicContact CG-CD2 4.34Å; F7-Y267 HydrophobicContact CZ-CD2 4.11Å; F7-Y267 HydrophobicContact CZ-CG 4.41Å; F137-Y267 AromaticContact CE1-CD1 3.67Å; F137-Y267 HydrophobicContact CE1-CD1 3.67Å; F137-Y267 AromaticContact CE1-CE1 3.93Å; F137-Y267 HydrophobicContact CE1-CE1 3.93Å; F137-Y267 AromaticContact CZ-CD1 3.69Å; F137-Y267 HydrophobicContact CZ-CD1 3.69Å; F137-Y267 AromaticContact CZ-CE1 3.73Å; F137-Y267 HydrophobicContact CZ-CE1 3.73Å; I139-Y267 HydrophobicContact CD1-CE1 4.02Å; I139-Y267 WeakPolarHBondContact CD1-OH 3.22Å; E141-Y267 PolarHBondContact OE1-OH 2.78Å; P147-Y267 HydrophobicContact CB-CD1 4.09Å; P147-Y267 HydrophobicContact CB-CD2 3.59Å; P147-Y267 HydrophobicContact CB-CE2 4.05Å; P147-Y267 HydrophobicContact CB-CG 3.58Å; P147-Y267 HydrophobicContact CG-CD1 3.88Å; P147-Y267 HydrophobicContact CG-CD2 4.21Å; P147-Y267 HydrophobicContact CG-CG 3.66Å; Y264-Y267 WeakPolarHBondContact O-CB 3.4Å; Y264-Y267 PolarHBondContact O-N 2.81Å; G265-Y267 VanDerWaalsContact C-N 3.3Å
268A97.9Very high98.4Very high16 Ų1626.5 Ų26.513%0.13216%0.161CC..SBendtrans-119.6166.1177.700000110.8F137 Y264 G266F137-A268 HydrophobicContact CB-CB 3.6Å; F137-A268 HydrophobicContact CD1-CB 4.22Å; F137-A268 HydrophobicContact CD2-CB 3.58Å; F137-A268 HydrophobicContact CE2-CB 4.3Å; F137-A268 HydrophobicContact CG-CB 3.54Å; Y264-A268 HydrophobicContact CD2-CB 3.73Å; Y264-A268 HydrophobicContact CG-CB 3.95Å; G266-A268 VanDerWaalsContact C-N 3.35Å
269R98.3Very high98.3Very high115 Ų11525 Ų2543%0.43416%0.155SC..  trans-66.8161.2176.5-61.3178.9-175.8126.2-3.1110.9F135 E308F135-R269 VanDerWaalsContact CB-O 3.29Å; F135-R269 WeakPolarHBondContact CB-O 3.45Å; F135-R269 HydrophobicContact CD1-CB 3.77Å; F135-R269 HydrophobicContact CD2-CB 3.81Å; F135-R269 HydrophobicContact CE1-CB 3.72Å; F135-R269 HydrophobicContact CE1-CG 4.34Å; F135-R269 HydrophobicContact CE2-CB 3.72Å; F135-R269 HydrophobicContact CG-CB 3.81Å; F135-R269 HydrophobicContact CZ-CB 3.69Å; F135-R269 HydrophobicContact CZ-CG 4.4Å; R269-E308 WeakPolarHBondContact CD-OE1 3.38Å; R269-E308 IonicContact CZ-OE1 3.98Å; R269-E308 PolarHBondContact N-OE2 2.94Å; R269-E308 IonicContact NE-OE1 3.04Å; R269-E308 IonicContact NH1-OE1 3.81Å; R269-E308 PolarHBondContact NH1-OE1 3.26Å
270H98.5Very high98.1Very high42 Ų4223.5 Ų23.519%0.19415%0.149CC..  trans-135147.3180-164-86.2000112I260 T263 G272 G273I260-H270 HydrophobicContact CD1-CB 3.67Å; T263-H270 WeakPolarHBondContact CG2-NE2 3.46Å; T263-H270 PolarHBondContact OG1-CD2 2.72Å; H270-G272 PolarHBondContact ND1-N 3.06Å; H270-G273 PolarHBondContact CE1-O 2.98Å
271G97.7Very high97.8Very high23 Ų2320.4 Ų20.424%0.23713%0.133CC..  trans-72.6-37.1-176.800000116.2L133L133-G271 VanDerWaalsContact CD1-CA 3.49Å; L133-G271 WeakPolarHBondContact O-CA 3.48Å
272G97.7Very high97.6Very high52 Ų5221.4 Ų21.454%0.53614%0.137SC..SBendtrans103.7-24.4-170.200000112.5H270H270-G272 PolarHBondContact ND1-N 3.06Å
273G97.6Very high97.5Very high13 Ų1321.4 Ų21.413%0.13414%0.137CC..  trans-66.5127.617600000113.2H270H270-G273 PolarHBondContact CE1-O 2.98Å
274A98.6Very high97.4Very high14 Ų1422.4 Ų22.412%0.11614%0.142CC..  trans-75.9158.516900000111.8G256 I259 K278G256-A274 VanDerWaalsContact CA-CB 3.42Å; I259-A274 HydrophobicContact CG2-CB 4.04Å; A274-K278 WeakPolarHBondContact O-CD 3.42Å; A274-K278 WeakPolarHBondContact O-CE 3.27Å; A274-K278 PolarHBondContact O-NZ 3.26Å
275F98.8Very high97.4Very high1 Ų122.3 Ų22.30%0.00414%0.142CC..  trans-95.9-63.5178.8-54.6-33.9000112.4D262 T263 K278 D284 R285 H372 M373D262-F275 HydrophobicContact CB-CD2 3.92Å; D262-F275 HydrophobicContact CB-CE2 3.93Å; T263-F275 HydrophobicContact CG2-CE2 3.47Å; T263-F275 VanDerWaalsContact CG2-CE2 3.47Å; T263-F275 HydrophobicContact CG2-CZ 3.4Å; F275-K278 WeakPolarHBondContact O-CB 3.26Å; F275-D284 WeakPolarHBondContact CE1-O 3.4Å; F275-R285 VanDerWaalsContact C-NH2 3.26Å; F275-R285 HydrophobicContact CD1-CB 4.44Å; F275-R285 PolarHBondContact O-NE 3.03Å; F275-R285 PolarHBondContact O-NH2 2.87Å; F275-H372 VanDerWaalsContact CB-CE1 3.47Å; F275-H372 WeakPolarHBondContact CB-CE1 3.37Å; F275-H372 HydrophobicContact CD2-CB 4.27Å; F275-H372 AromaticContact CD2-CD2 3.67Å; F275-H372 AromaticContact CD2-CE1 3.67Å; F275-H372 AromaticContact CD2-CG 3.59Å; F275-H372 AromaticContact CD2-ND1 3.58Å; F275-H372 AromaticContact CD2-NE2 3.7Å; F275-H372 HydrophobicContact CE2-CB 4.36Å; F275-M373 HydrophobicContact CE2-CE 3.98Å; F275-M373 HydrophobicContact CZ-CE 4.08Å
276S98.9Very high97.4Very high1 Ų122 Ų221%0.00714%0.139CC..THydrogen-bonded Turntrans-52.2144.1-168.7-67.40000114.6D22 D26 K278 R285D22-S276 WeakPolarHBondContact CB-OG 3.4Å; D22-S276 WeakPolarHBondContact O-CB 3.48Å; D26-S276 WeakPolarHBondContact OD1-CA 3.2Å; D26-S276 WeakPolarHBondContact OD2-CA 3.5Å; D26-S276 VanDerWaalsContact OD2-CB 3.27Å; D26-S276 WeakPolarHBondContact OD2-CB 3.32Å; D26-S276 PolarHBondContact OD2-OG 2.95Å; S276-K278 VanDerWaalsContact C-N 3.33Å; S276-K278 PolarHBondContact O-N 2.83Å; S276-R285 VanDerWaalsContact C-NH2 3.29Å
277G98.6Very high97.4Very high0 Ų020 Ų200%012%0.118CC..THydrogen-bonded Turntrans78.74.5-179.100000116.5D26 V41 A42 A43 R285D26-G277 PolarHBondContact OD1-N 3.48Å; V41-G277 CarbonylContact C-O 3.58Å; A42-G277 CarbonylContact C-O 3.56Å; A42-G277 VanDerWaalsContact CA-O 3.26Å; A42-G277 WeakPolarHBondContact CA-O 3.36Å; A42-G277 PolarHBondContact N-O 3.08Å; A43-G277 PolarHBondContact N-O 3.13Å; A43-G277 WeakPolarHBondContact O-CA 3.39Å; G277-R285 VanDerWaalsContact N-NH2 3.13Å
278K98.3Very high97.5Very high24 Ų2418.2 Ų18.210%0.10411%0.112CC..BIsolated β-bridgetrans-112.9129.3-175.6-60.7-179.5-179.3174.60112L29 V41 A274 F275 S276 K282 D284 R285L29-K278 WeakPolarHBondContact CD2-O 3.41Å; V41-K278 WeakPolarHBondContact O-CA 3.33Å; A274-K278 WeakPolarHBondContact O-CD 3.42Å; A274-K278 WeakPolarHBondContact O-CE 3.27Å; A274-K278 PolarHBondContact O-NZ 3.26Å; F275-K278 WeakPolarHBondContact O-CB 3.26Å; S276-K278 VanDerWaalsContact C-N 3.33Å; S276-K278 PolarHBondContact O-N 2.83Å; K278-K282 HydrophobicContact CB-CB 3.94Å; K278-K282 HydrophobicContact CB-CG 4.15Å; K278-K282 HydrophobicContact CD-CB 4.17Å; K278-K282 HydrophobicContact CD-CG 4.36Å; K278-K282 HydrophobicContact CG-CB 4.48Å; K278-K282 HydrophobicContact CG-CG 4.42Å; K278-D284 HydrophobicContact CD-CB 4.42Å; K278-D284 IonicContact NZ-OD2 2.65Å; K278-D284 PolarHBondContact NZ-OD2 3.02Å; K278-R285 PolarHBondContact O-NE 3.37Å; K278-R285 VanDerWaalsContact O-NE 3.09Å; K278-R285 PolarHBondContact O-NH1 3.37Å; K278-R285 PolarHBondContact O-NH2 2.81Å
279D96.8Very high97.5Very high4 Ų417.5 Ų17.52%0.02111%0.106CC..  trans-69.5170.8171.575.982.3000112.3L29 H40 V41 T281 K282L29-D279 HydrophobicContact CD1-CB 4.02Å; H40-D279 VanDerWaalsContact CA-OD2 3.27Å; H40-D279 WeakPolarHBondContact CA-OD2 3.39Å; V41-D279 HydrophobicContact CB-CB 4.26Å; V41-D279 PolarHBondContact N-OD2 3.14Å; V41-D279 PolarHBondContact O-N 3.19Å; D279-T281 PolarHBondContact O-N 2.93Å; D279-T281 VanDerWaalsContact O-N 3.16Å; D279-T281 WeakPolarHBondContact OD1-CA 3.41Å; D279-T281 WeakPolarHBondContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.25Å; D279-T281 PolarHBondContact OD1-N 3.47Å; D279-T281 PolarHBondContact OD1-OG1 2.85Å; D279-K282 PolarHBondContact O-N 2.92Å; D279-K282 VanDerWaalsContact O-N 3.11Å; D279-K282 WeakPolarHBondContact OD2-CD 3.49Å; D279-K282 WeakPolarHBondContact OD2-CE 3.45Å; D279-K282 IonicContact OD2-NZ 3.82Å; D279-K282 PolarHBondContact OD2-NZ 2.88Å
280A95.5Very high97.5Very high7 Ų712 Ų126%0.0589%0.085CC..THydrogen-bonded Turntrans-68.8-13.7-171.100000114.8K282 S286 I354 L359A280-K282 PolarHBondContact O-N 3.2Å; A280-S286 WeakPolarHBondContact O-CB 3.42Å; A280-S286 PolarHBondContact O-OG 3.22Å; A280-I354 HydrophobicContact CB-CD1 4.13Å; A280-I354 HydrophobicContact CB-CG1 3.74Å; A280-L359 HydrophobicContact CB-CB 3.58Å; A280-L359 HydrophobicContact CB-CD1 4.16Å
281T92.7Very high97.5Very high7 Ų710 Ų104%0.0438%0.076CC..THydrogen-bonded Turntrans-72.5-16.9173.366.80000112.9H40 V108 I126 D279 V283 I354H40-T281 PolarHBondContact ND1-OG1 2.87Å; V108-T281 HydrophobicContact CG1-CG2 4.46Å; I126-T281 HydrophobicContact CG2-CG2 4.42Å; D279-T281 PolarHBondContact O-N 2.93Å; D279-T281 VanDerWaalsContact O-N 3.16Å; D279-T281 WeakPolarHBondContact OD1-CA 3.41Å; D279-T281 WeakPolarHBondContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.25Å; D279-T281 PolarHBondContact OD1-N 3.47Å; D279-T281 PolarHBondContact OD1-OG1 2.85Å; T281-V283 PolarHBondContact O-N 3.18Å; T281-I354 HydrophobicContact CG2-CD1 4.11Å
282K94.5Very high97.6Very high27 Ų278.9 Ų8.912%0.1176%0.064CC..  trans-82.7103.6175.9-78.262.4177.81750108.7K278 D279 A280 D284 R285 S286K278-K282 HydrophobicContact CB-CB 3.94Å; K278-K282 HydrophobicContact CB-CG 4.15Å; K278-K282 HydrophobicContact CD-CB 4.17Å; K278-K282 HydrophobicContact CD-CG 4.36Å; K278-K282 HydrophobicContact CG-CB 4.48Å; K278-K282 HydrophobicContact CG-CG 4.42Å; D279-K282 PolarHBondContact O-N 2.92Å; D279-K282 VanDerWaalsContact O-N 3.11Å; D279-K282 WeakPolarHBondContact OD2-CD 3.49Å; D279-K282 WeakPolarHBondContact OD2-CE 3.45Å; D279-K282 IonicContact OD2-NZ 3.82Å; D279-K282 PolarHBondContact OD2-NZ 2.88Å; A280-K282 PolarHBondContact O-N 3.2Å; K282-D284 PolarHBondContact O-N 3.32Å; K282-R285 PolarHBondContact O-N 3.25Å; K282-S286 PolarHBondContact O-N 2.93Å; K282-S286 PolarHBondContact O-OG 3.14Å
283V95.6Very high97.6Very high2 Ų26.6 Ų6.61%0.0124%0.04CC..Hα-helixtrans-57.2-24.6-176.3-68.80000113.6A128 M134 T281 R285 A287 Y313 P350A128-V283 HydrophobicContact CB-CG1 3.82Å; A128-V283 HydrophobicContact CB-CG2 4.11Å; M134-V283 HydrophobicContact CE-CB 4.22Å; M134-V283 HydrophobicContact CE-CG2 3.75Å; T281-V283 PolarHBondContact O-N 3.18Å; V283-R285 PolarHBondContact O-N 2.82Å; V283-R285 VanDerWaalsContact O-N 3.14Å; V283-A287 HydrophobicContact CB-CB 4.16Å; V283-A287 WeakPolarHBondContact O-CA 3.26Å; V283-A287 WeakPolarHBondContact O-CB 3.32Å; V283-A287 PolarHBondContact O-N 3.31Å; V283-Y313 HydrophobicContact CB-CD2 4.19Å; V283-Y313 HydrophobicContact CB-CG 4.48Å; V283-Y313 HydrophobicContact CG1-CD1 4.41Å; V283-Y313 HydrophobicContact CG1-CD2 4.37Å; V283-Y313 HydrophobicContact CG1-CG 4.29Å; V283-Y313 HydrophobicContact CG2-CD2 4.39Å; V283-Y313 HydrophobicContact CG2-CG 4.47Å; V283-P350 HydrophobicContact CG1-CB 4.41Å; V283-P350 HydrophobicContact CG1-CG 3.9Å
284D97.5Very high97.7Very high25 Ų256 Ų613%0.1343%0.033CC..Hα-helixtrans-47.6-42.2170.1-79.4-21.2000112.6F275 K278 K282 S288F275-D284 WeakPolarHBondContact CE1-O 3.4Å; K278-D284 HydrophobicContact CD-CB 4.42Å; K278-D284 IonicContact NZ-OD2 2.65Å; K278-D284 PolarHBondContact NZ-OD2 3.02Å; K282-D284 PolarHBondContact O-N 3.32Å; D284-S288 VanDerWaalsContact O-CB 3.23Å; D284-S288 WeakPolarHBondContact O-CB 3.29Å; D284-S288 PolarHBondContact O-OG 3.06Å
285R98.3Very high97.7Very high1 Ų15.3 Ų5.30%0.0043%0.028CC..Hα-helixtrans-89.4-60178.8-178.9-174.3-72.5-158.42.2111.2D26 F275 S276 G277 K278 K282 V283 A287 S288 Y289D26-R285 IonicContact OD1-CZ 3.71Å; D26-R285 IonicContact OD1-NH1 3.42Å; D26-R285 IonicContact OD1-NH2 2.71Å; D26-R285 PolarHBondContact OD1-NH2 2.82Å; D26-R285 IonicContact OD2-NH2 3.88Å; F275-R285 VanDerWaalsContact C-NH2 3.26Å; F275-R285 HydrophobicContact CD1-CB 4.44Å; F275-R285 PolarHBondContact O-NE 3.03Å; F275-R285 PolarHBondContact O-NH2 2.87Å; S276-R285 VanDerWaalsContact C-NH2 3.29Å; G277-R285 VanDerWaalsContact N-NH2 3.13Å; K278-R285 PolarHBondContact O-NE 3.37Å; K278-R285 VanDerWaalsContact O-NE 3.09Å; K278-R285 PolarHBondContact O-NH1 3.37Å; K278-R285 PolarHBondContact O-NH2 2.81Å; K282-R285 PolarHBondContact O-N 3.25Å; V283-R285 PolarHBondContact O-N 2.82Å; V283-R285 VanDerWaalsContact O-N 3.14Å; R285-A287 PolarHBondContact O-N 2.94Å; R285-S288 PolarHBondContact O-N 2.91Å; R285-Y289 HydrophobicContact CG-CD2 4.06Å; R285-Y289 HydrophobicContact CG-CE1 4.14Å; R285-Y289 HydrophobicContact CG-CE2 3.47Å; R285-Y289 VanDerWaalsContact CG-CE2 3.47Å; R285-Y289 WeakPolarHBondContact O-CD1 3.39Å; R285-Y289 PolarHBondContact O-N 2.81Å
286S97.9Very high97.7Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-65.4-42-169.752.20000112.4A280 K282 Y289 A290 I353A280-S286 WeakPolarHBondContact O-CB 3.42Å; A280-S286 PolarHBondContact O-OG 3.22Å; K282-S286 PolarHBondContact O-N 2.93Å; K282-S286 PolarHBondContact O-OG 3.14Å; S286-Y289 PolarHBondContact O-N 3.08Å; S286-A290 PolarHBondContact O-N 2.98Å; S286-I353 WeakPolarHBondContact O-CG2 3.47Å
287A98.3Very high97.7Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-73.5-29.6177.300000112.8M134 V283 R285 A290 A291 L311 Y313 I353M134-A287 HydrophobicContact CB-CB 4.31Å; M134-A287 HydrophobicContact CG-CB 3.94Å; M134-A287 HydrophobicContact SD-CB 4.02Å; V283-A287 HydrophobicContact CB-CB 4.16Å; V283-A287 WeakPolarHBondContact O-CA 3.26Å; V283-A287 WeakPolarHBondContact O-CB 3.32Å; V283-A287 PolarHBondContact O-N 3.31Å; R285-A287 PolarHBondContact O-N 2.94Å; A287-A290 PolarHBondContact O-N 3.06Å; A287-A291 VanDerWaalsContact O-CB 3.27Å; A287-A291 WeakPolarHBondContact O-CB 3.44Å; A287-A291 PolarHBondContact O-N 3.49Å; A287-L311 HydrophobicContact CB-CD1 4.16Å; A287-Y313 HydrophobicContact CB-CD2 4.33Å; A287-Y313 HydrophobicContact CB-CE2 3.49Å; A287-Y313 VanDerWaalsContact CB-CE2 3.49Å; A287-I353 HydrophobicContact CB-CD1 4.2Å
288S98.7Very high97.7Very high9 Ų96.1 Ų6.16%0.0633%0.031CC..Hα-helixtrans-64.8-40.6170.1-64.10000111.8M134 D284 R285 A291 R292M134-S288 WeakPolarHBondContact CG-OG 3.24Å; D284-S288 VanDerWaalsContact O-CB 3.23Å; D284-S288 WeakPolarHBondContact O-CB 3.29Å; D284-S288 PolarHBondContact O-OG 3.06Å; R285-S288 PolarHBondContact O-N 2.91Å; S288-A291 PolarHBondContact O-N 3.49Å; S288-R292 PolarHBondContact O-N 2.97Å
289Y98.8Very high97.7Very high0 Ų05.4 Ų5.40%03%0.029CC..Hα-helixtrans-65.2-44173.4-65.8-7.9000111.9R285 S286 A291 R292 Y293 L359 Y364 H372 M373 W382R285-Y289 HydrophobicContact CG-CD2 4.06Å; R285-Y289 HydrophobicContact CG-CE1 4.14Å; R285-Y289 HydrophobicContact CG-CE2 3.47Å; R285-Y289 VanDerWaalsContact CG-CE2 3.47Å; R285-Y289 WeakPolarHBondContact O-CD1 3.39Å; R285-Y289 PolarHBondContact O-N 2.81Å; S286-Y289 PolarHBondContact O-N 3.08Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 3.24Å; Y289-R292 WeakPolarHBondContact O-CB 3.46Å; Y289-R292 PolarHBondContact O-N 3.42Å; Y289-Y293 WeakPolarHBondContact O-CB 3.4Å; Y289-Y293 PolarHBondContact O-N 3.49Å; Y289-L359 HydrophobicContact CD2-CD2 4.46Å; Y289-Y364 HydrophobicContact CE2-CE1 4.11Å; Y289-H372 HydrophobicContact CE1-CB 4.09Å; Y289-H372 AromaticContact CE1-ND1 3.71Å; Y289-H372 AromaticContact CZ-ND1 3.63Å; Y289-H372 PolarHBondContact OH-CE1 3.43Å; Y289-H372 PolarHBondContact OH-ND1 3.05Å; Y289-M373 HydrophobicContact CD1-CE 3.89Å; Y289-M373 HydrophobicContact CD1-SD 4.36Å; Y289-M373 HydrophobicContact CE1-CE 4.09Å; Y289-W382 HydrophobicContact CD1-CD2 4.19Å; Y289-W382 HydrophobicContact CD1-CZ2 4.29Å; Y289-W382 AromaticContact CD2-CD2 3.73Å; Y289-W382 HydrophobicContact CD2-CD2 3.73Å; Y289-W382 AromaticContact CD2-CE3 3.37Å; Y289-W382 HydrophobicContact CD2-CE3 3.37Å; Y289-W382 AromaticContact CD2-CH2 3.64Å; Y289-W382 HydrophobicContact CD2-CH2 3.64Å; Y289-W382 AromaticContact CD2-CZ2 3.96Å; Y289-W382 HydrophobicContact CD2-CZ2 3.96Å; Y289-W382 AromaticContact CD2-CZ3 3.33Å; Y289-W382 HydrophobicContact CD2-CZ3 3.33Å; Y289-W382 HydrophobicContact CE1-CH2 4.46Å; Y289-W382 HydrophobicContact CE1-CZ2 4.01Å; Y289-W382 HydrophobicContact CE2-CD2 4.27Å; Y289-W382 AromaticContact CE2-CE3 3.92Å; Y289-W382 HydrophobicContact CE2-CE3 3.92Å; Y289-W382 AromaticContact CE2-CH2 3.22Å; Y289-W382 HydrophobicContact CE2-CH2 3.22Å; Y289-W382 AromaticContact CE2-CZ2 3.62Å; Y289-W382 HydrophobicContact CE2-CZ2 3.62Å; Y289-W382 AromaticContact CE2-CZ3 3.4Å; Y289-W382 HydrophobicContact CE2-CZ3 3.4Å; Y289-W382 AromaticContact CG-CD2 3.68Å; Y289-W382 HydrophobicContact CG-CD2 3.68Å; Y289-W382 AromaticContact CG-CE2 3.95Å; Y289-W382 AromaticContact CG-CE3 3.79Å; Y289-W382 HydrophobicContact CG-CE3 3.79Å; Y289-W382 HydrophobicContact CG-CG 4.12Å; Y289-W382 HydrophobicContact CG-CH2 4.39Å; Y289-W382 HydrophobicContact CG-CZ2 4.28Å; Y289-W382 HydrophobicContact CG-CZ3 4.16Å; Y289-W382 AromaticContact CZ-CH2 3.7Å; Y289-W382 AromaticContact CZ-CZ2 3.64Å; Y289-W382 WeakPolarHBondContact O-CB 3.32Å
290A98.7Very high97.8Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-60.8-43.6174.700000111.7S286 A287 R292 Y293 I294 I353S286-A290 PolarHBondContact O-N 2.98Å; A287-A290 PolarHBondContact O-N 3.06Å; A290-R292 PolarHBondContact O-N 2.7Å; A290-Y293 WeakPolarHBondContact O-CB 3.24Å; A290-Y293 PolarHBondContact O-N 3.37Å; A290-I294 VanDerWaalsContact O-CD1 3.31Å; A290-I294 WeakPolarHBondContact O-CD1 3.47Å; A290-I294 WeakPolarHBondContact O-CG1 3.39Å; A290-I294 PolarHBondContact O-N 2.9Å; A290-I353 HydrophobicContact CB-CD1 3.87Å; A290-I353 HydrophobicContact CB-CG1 3.92Å; A290-I353 HydrophobicContact CB-CG2 3.91Å
291A98.8Very high97.9Very high0 Ų07.2 Ų7.20%04%0.044CC..Hα-helixtrans-62.4-42.7177.500000111.5G136 A287 S288 Y289 I294 A295 V309 L311G136-A291 VanDerWaalsContact CA-CB 3.48Å; G136-A291 VanDerWaalsContact N-CB 3.31Å; A287-A291 VanDerWaalsContact O-CB 3.27Å; A287-A291 WeakPolarHBondContact O-CB 3.44Å; A287-A291 PolarHBondContact O-N 3.49Å; S288-A291 PolarHBondContact O-N 3.49Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 3.24Å; A291-I294 PolarHBondContact O-N 2.98Å; A291-A295 WeakPolarHBondContact O-CB 3.44Å; A291-A295 PolarHBondContact O-N 3.3Å; A291-V309 HydrophobicContact CB-CB 4.29Å; A291-V309 HydrophobicContact CB-CG1 4.17Å; A291-L311 HydrophobicContact CB-CD1 4.09Å; A291-L311 HydrophobicContact CB-CG 4.24Å
292R98.8Very high98.2Very high0 Ų09.2 Ų9.20%07%0.066CC..Hα-helixtrans-57.8-49.7172169.158.5178.5171.33.3111F137 E144 L145 M146 S288 Y289 A290 I294 A295 K296 M373 E383F137-R292 WeakPolarHBondContact O-CD 3.1Å; F137-R292 PolarHBondContact O-NH1 3.46Å; E144-R292 PolarHBondContact O-NH2 3.11Å; L145-R292 PolarHBondContact O-NH1 3.05Å; M146-R292 VanDerWaalsContact SD-CZ 3.57Å; M146-R292 PolarHBondContact SD-NH1 3.49Å; M146-R292 VanDerWaalsContact SD-NH1 3.44Å; S288-R292 PolarHBondContact O-N 2.97Å; Y289-R292 WeakPolarHBondContact O-CB 3.46Å; Y289-R292 PolarHBondContact O-N 3.42Å; A290-R292 PolarHBondContact O-N 2.7Å; R292-I294 VanDerWaalsContact C-N 3.31Å; R292-I294 PolarHBondContact O-N 2.83Å; R292-A295 PolarHBondContact O-N 3.2Å; R292-K296 WeakPolarHBondContact O-CB 3.41Å; R292-K296 PolarHBondContact O-N 3.12Å; R292-M373 HydrophobicContact CB-SD 3.94Å; R292-M373 HydrophobicContact CG-CB 4.33Å; R292-M373 HydrophobicContact CG-CG 4.26Å; R292-M373 HydrophobicContact CG-SD 3.76Å; R292-E383 IonicContact CZ-OE1 2.96Å; R292-E383 IonicContact CZ-OE2 3.46Å; R292-E383 IonicContact NE-OE1 3.16Å; R292-E383 PolarHBondContact NE-OE1 3.36Å; R292-E383 IonicContact NE-OE2 3.61Å; R292-E383 IonicContact NH2-OE1 3.93Å; R292-E383 PolarHBondContact NH2-OE1 3.35Å; R292-E383 IonicContact NH2-OE2 2.76Å; R292-E383 PolarHBondContact NH2-OE2 2.89Å
293Y98.8Very high98.3Very high4 Ų48.9 Ų8.92%0.0167%0.065CC..Hα-helixtrans-56.7-44.8-179.7-179.7-125.4000112Y289 A290 N297 F346 M356 L357 W382 K384 D386 K387Y289-Y293 WeakPolarHBondContact O-CB 3.4Å; Y289-Y293 PolarHBondContact O-N 3.49Å; A290-Y293 WeakPolarHBondContact O-CB 3.24Å; A290-Y293 PolarHBondContact O-N 3.37Å; Y293-N297 WeakPolarHBondContact CD2-ND2 3.43Å; Y293-N297 WeakPolarHBondContact CE2-ND2 3.47Å; Y293-N297 WeakPolarHBondContact O-CB 3.34Å; Y293-N297 PolarHBondContact O-N 3.04Å; Y293-N297 PolarHBondContact O-ND2 2.85Å; Y293-F346 AromaticContact CD1-CD1 3.95Å; Y293-F346 HydrophobicContact CD1-CD1 3.95Å; Y293-F346 AromaticContact CD1-CE1 3.66Å; Y293-F346 HydrophobicContact CD1-CE1 3.66Å; Y293-F346 AromaticContact CE1-CD1 3.91Å; Y293-F346 HydrophobicContact CE1-CD1 3.91Å; Y293-F346 AromaticContact CE1-CE1 3.57Å; Y293-F346 HydrophobicContact CE1-CE1 3.57Å; Y293-M356 HydrophobicContact CD1-CE 4.13Å; Y293-M356 HydrophobicContact CD1-SD 4.39Å; Y293-M356 HydrophobicContact CE1-CE 4.23Å; Y293-M356 HydrophobicContact CE1-CG 4.33Å; Y293-M356 HydrophobicContact CE1-SD 3.91Å; Y293-L357 HydrophobicContact CD1-CD2 3.95Å; Y293-L357 HydrophobicContact CD2-CD2 4.46Å; Y293-L357 HydrophobicContact CE1-CD2 4.1Å; Y293-L357 HydrophobicContact CG-CD2 4.12Å; Y293-W382 VanDerWaalsContact CA-O 3.32Å; Y293-W382 WeakPolarHBondContact CA-O 3.49Å; Y293-W382 WeakPolarHBondContact CD2-O 3.45Å; Y293-K384 WeakPolarHBondContact CD2-O 3.21Å; Y293-K384 HydrophobicContact CE2-CB 4.09Å; Y293-K384 WeakPolarHBondContact CE2-O 3.37Å; Y293-D386 WeakPolarHBondContact CE2-OD1 3.32Å; Y293-D386 PolarHBondContact OH-OD1 2.88Å; Y293-D386 PolarHBondContact OH-OD2 2.87Å; Y293-K387 HydrophobicContact CE1-CG 3.83Å; Y293-K387 WeakPolarHBondContact OH-CG 3.38Å
294I98.8Very high98.5Very high0 Ų09 Ų90%07%0.066CC..Hα-helixtrans-64.4-53.8177-63.4156.9000110.7A290 A291 R292 K296 N297 I298 V309 V342 F346 L348A290-I294 VanDerWaalsContact O-CD1 3.31Å; A290-I294 WeakPolarHBondContact O-CD1 3.47Å; A290-I294 WeakPolarHBondContact O-CG1 3.39Å; A290-I294 PolarHBondContact O-N 2.9Å; A291-I294 PolarHBondContact O-N 2.98Å; R292-I294 VanDerWaalsContact C-N 3.31Å; R292-I294 PolarHBondContact O-N 2.83Å; I294-K296 VanDerWaalsContact C-N 3.26Å; I294-K296 PolarHBondContact O-N 3.25Å; I294-N297 PolarHBondContact O-N 2.81Å; I294-N297 VanDerWaalsContact O-N 3.15Å; I294-I298 HydrophobicContact CG2-CD1 3.79Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 WeakPolarHBondContact O-CG1 3.4Å; I294-I298 PolarHBondContact O-N 3Å; I294-V309 HydrophobicContact CB-CG2 4.18Å; I294-V309 HydrophobicContact CD1-CG1 4.39Å; I294-V309 HydrophobicContact CG2-CG1 4.38Å; I294-V309 HydrophobicContact CG2-CG2 3.79Å; I294-V342 HydrophobicContact CD1-CG1 4.09Å; I294-V342 HydrophobicContact CG2-CB 4.42Å; I294-V342 HydrophobicContact CG2-CG1 3.97Å; I294-V342 HydrophobicContact CG2-CG2 3.49Å; I294-V342 VanDerWaalsContact CG2-CG2 3.49Å; I294-F346 HydrophobicContact CD1-CB 4.47Å; I294-F346 HydrophobicContact CD1-CG 4.34Å; I294-F346 HydrophobicContact CG1-CB 4.44Å; I294-F346 HydrophobicContact CG1-CD1 3.73Å; I294-F346 HydrophobicContact CG1-CD2 4.01Å; I294-F346 HydrophobicContact CG1-CE1 3.87Å; I294-F346 HydrophobicContact CG1-CE2 4.14Å; I294-F346 HydrophobicContact CG1-CG 3.8Å; I294-F346 HydrophobicContact CG1-CZ 4.08Å; I294-F346 HydrophobicContact CG2-CE2 4.31Å; I294-L348 HydrophobicContact CD1-CD2 3.6Å
295A98.9Very high98.5Very high0 Ų010.3 Ų10.30%08%0.075CC..Hα-helixtrans-57-43.2-178.900000111.5A138 A291 R292 I298 V299 V309A138-A295 VanDerWaalsContact CB-C 3.49Å; A138-A295 HydrophobicContact CB-CB 4.07Å; A138-A295 WeakPolarHBondContact CB-O 3.23Å; A291-A295 WeakPolarHBondContact O-CB 3.44Å; A291-A295 PolarHBondContact O-N 3.3Å; R292-A295 PolarHBondContact O-N 3.2Å; A295-I298 PolarHBondContact O-N 3.42Å; A295-V299 PolarHBondContact O-N 3.37Å; A295-V299 VanDerWaalsContact O-N 3.08Å; A295-V309 HydrophobicContact CB-CG2 3.86Å
296K98.8Very high98.5Very high18 Ų1811.6 Ų11.68%0.0788%0.081CC..Hα-helixtrans-62.3-44.7178.2-162.2-173.5-178.5178.90111.9A138 L145 R292 I294 V299 A300 E383 L385A138-K296 HydrophobicContact CB-CB 4.26Å; L145-K296 HydrophobicContact CB-CG 4.16Å; L145-K296 HydrophobicContact CD1-CG 3.7Å; L145-K296 HydrophobicContact CG-CG 4.48Å; R292-K296 WeakPolarHBondContact O-CB 3.41Å; R292-K296 PolarHBondContact O-N 3.12Å; I294-K296 VanDerWaalsContact C-N 3.26Å; I294-K296 PolarHBondContact O-N 3.25Å; K296-V299 PolarHBondContact O-N 3.06Å; K296-A300 VanDerWaalsContact O-CB 3.26Å; K296-A300 WeakPolarHBondContact O-CB 3.17Å; K296-A300 PolarHBondContact O-N 2.73Å; K296-E383 WeakPolarHBondContact CD-OE2 3.41Å; K296-E383 WeakPolarHBondContact CE-O 3.5Å; K296-E383 WeakPolarHBondContact CE-OE2 3.37Å; K296-E383 PolarHBondContact NZ-O 3.11Å; K296-E383 IonicContact NZ-OE2 2.72Å; K296-E383 PolarHBondContact NZ-OE2 3.05Å; K296-L385 HydrophobicContact CB-CD2 4.45Å; K296-L385 HydrophobicContact CD-CD2 3.96Å; K296-L385 HydrophobicContact CG-CD2 3.75Å
297N98.8Very high98.5Very high0 Ų011.6 Ų11.60%08%0.081CC..Hα-helixtrans-68.3-35.4176.7-82.5-90.4000112.5Y293 I294 A301 F346 K384 L385 K387 V388 L391Y293-N297 WeakPolarHBondContact CD2-ND2 3.43Å; Y293-N297 WeakPolarHBondContact CE2-ND2 3.47Å; Y293-N297 WeakPolarHBondContact O-CB 3.34Å; Y293-N297 PolarHBondContact O-N 3.04Å; Y293-N297 PolarHBondContact O-ND2 2.85Å; I294-N297 PolarHBondContact O-N 2.81Å; I294-N297 VanDerWaalsContact O-N 3.15Å; N297-A301 WeakPolarHBondContact O-CB 3.33Å; N297-A301 PolarHBondContact O-N 3.02Å; N297-F346 HydrophobicContact CB-CZ 4.45Å; N297-K384 PolarHBondContact ND2-O 2.86Å; N297-L385 VanDerWaalsContact OD1-CA 3.3Å; N297-L385 WeakPolarHBondContact OD1-CA 3.33Å; N297-K387 HydrophobicContact CB-CB 4.36Å; N297-K387 WeakPolarHBondContact OD1-CA 3.28Å; N297-K387 WeakPolarHBondContact OD1-CB 3.36Å; N297-K387 PolarHBondContact OD1-N 2.85Å; N297-V388 PolarHBondContact OD1-N 3.14Å; N297-L391 HydrophobicContact CB-CD1 3.71Å
298I98.6Very high98.5Very high0 Ų011.9 Ų11.90%08%0.082CC..Hα-helixtrans-60.6-49.5174.2-71.3170.5000110.8I294 A295 A301 F303 A307 V309 V325 L338 V342 L391I294-I298 HydrophobicContact CG2-CD1 3.79Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 WeakPolarHBondContact O-CG1 3.4Å; I294-I298 PolarHBondContact O-N 3Å; A295-I298 PolarHBondContact O-N 3.42Å; I298-A301 PolarHBondContact O-N 2.76Å; I298-F303 HydrophobicContact CG2-CB 4.1Å; I298-F303 PolarHBondContact O-N 2.9Å; I298-A307 HydrophobicContact CB-CB 4.38Å; I298-A307 HydrophobicContact CG2-CB 3.91Å; I298-V309 HydrophobicContact CD1-CG2 4.28Å; I298-V325 HydrophobicContact CD1-CG1 4.05Å; I298-V325 HydrophobicContact CD1-CG2 4.31Å; I298-L338 HydrophobicContact CG2-CD1 4.23Å; I298-V342 HydrophobicContact CD1-CG2 4.1Å; I298-L391 HydrophobicContact CG1-CD1 4.11Å
299V98.7Very high98.5Very high10 Ų1011.5 Ų11.56%0.0618%0.079CC..Hα-helixtrans-66.4-45.3179.4174.40000110.8A138 D140 L145 A295 K296 A301 G302 A307A138-V299 HydrophobicContact CB-CB 4.19Å; A138-V299 HydrophobicContact CB-CG2 3.82Å; D140-V299 HydrophobicContact CB-CG1 4.33Å; L145-V299 HydrophobicContact CD1-CG1 4.42Å; L145-V299 HydrophobicContact CD2-CG1 4.05Å; A295-V299 PolarHBondContact O-N 3.37Å; A295-V299 VanDerWaalsContact O-N 3.08Å; K296-V299 PolarHBondContact O-N 3.06Å; V299-A301 VanDerWaalsContact C-N 3.26Å; V299-A301 PolarHBondContact O-N 2.8Å; V299-G302 PolarHBondContact O-N 2.94Å; V299-A307 HydrophobicContact CG2-CB 3.99Å
300A98.5Very high98.5Very high37 Ų3713.8 Ų13.831%0.3069%0.09SC..Hα-helixtrans-63.3-29.617800000113.7L145 K296 G302 L385 V388L145-A300 HydrophobicContact CD1-CB 3.97Å; K296-A300 VanDerWaalsContact O-CB 3.26Å; K296-A300 WeakPolarHBondContact O-CB 3.17Å; K296-A300 PolarHBondContact O-N 2.73Å; A300-G302 PolarHBondContact O-N 3.04Å; A300-L385 HydrophobicContact CB-CD1 3.82Å; A300-L385 HydrophobicContact CB-CD2 3.49Å; A300-L385 VanDerWaalsContact CB-CD2 3.49Å; A300-L385 HydrophobicContact CB-CG 4.18Å; A300-V388 HydrophobicContact CB-CG2 3.77Å
301A98.2Very high98.5Very high12 Ų1213.8 Ų13.810%0.0999%0.09CC..THydrogen-bonded Turntrans-72.3-9.9174.800000113.6N297 I298 V299 F303 V388 K392N297-A301 WeakPolarHBondContact O-CB 3.33Å; N297-A301 PolarHBondContact O-N 3.02Å; I298-A301 PolarHBondContact O-N 2.76Å; V299-A301 VanDerWaalsContact C-N 3.26Å; V299-A301 PolarHBondContact O-N 2.8Å; A301-F303 HydrophobicContact CB-CD2 3.53Å; A301-F303 HydrophobicContact CB-CE2 3.62Å; A301-F303 HydrophobicContact CB-CG 4.43Å; A301-V388 HydrophobicContact CB-CG1 3.97Å; A301-K392 HydrophobicContact CB-CG 4.33Å; A301-K392 WeakPolarHBondContact O-CE 3.35Å
302G97.7Very high98.4Very high48 Ų4814.4 Ų14.450%0.49510%0.095SC..THydrogen-bonded Turntrans81.417.4-178.800000113.6V299 A300 T332V299-G302 PolarHBondContact O-N 2.94Å; A300-G302 PolarHBondContact O-N 3.04Å; G302-T332 PolarHBondContact O-OG1 3.36Å
303F98.1Very high98.3Very high20 Ų2014.8 Ų14.89%0.08810%0.096CC..SBendtrans-79.3-23.5178.8-70.5-51.7000113.9I298 A301 N331 T332 V333 L338 L391 K392 V395I298-F303 HydrophobicContact CG2-CB 4.1Å; I298-F303 PolarHBondContact O-N 2.9Å; A301-F303 HydrophobicContact CB-CD2 3.53Å; A301-F303 HydrophobicContact CB-CE2 3.62Å; A301-F303 HydrophobicContact CB-CG 4.43Å; F303-N331 CarbonylContact O-C 3.48Å; F303-N331 WeakPolarHBondContact O-CA 3.25Å; F303-T332 PolarHBondContact O-N 2.79Å; F303-T332 PolarHBondContact O-OG1 2.66Å; F303-V333 HydrophobicContact CD1-CG1 4.22Å; F303-V333 HydrophobicContact CD1-CG2 3.93Å; F303-V333 HydrophobicContact CE1-CG1 4.36Å; F303-V333 HydrophobicContact CG-CG2 4.45Å; F303-L338 HydrophobicContact CB-CD2 3.88Å; F303-L338 HydrophobicContact CD1-CD2 4.43Å; F303-L338 HydrophobicContact CD2-CD2 3.93Å; F303-L338 HydrophobicContact CG-CD2 3.83Å; F303-L391 HydrophobicContact CE2-CB 4.16Å; F303-K392 HydrophobicContact CE2-CG 4.25Å; F303-K392 HydrophobicContact CZ-CG 4.03Å; F303-V395 HydrophobicContact CD1-CG1 4.17Å; F303-V395 HydrophobicContact CE1-CB 3.99Å; F303-V395 HydrophobicContact CE1-CG1 3.46Å; F303-V395 VanDerWaalsContact CE1-CG1 3.46Å; F303-V395 HydrophobicContact CE1-CG2 4.4Å; F303-V395 HydrophobicContact CE2-CB 4.24Å; F303-V395 HydrophobicContact CE2-CG1 4.49Å; F303-V395 HydrophobicContact CE2-CG2 4Å; F303-V395 HydrophobicContact CZ-CB 3.59Å; F303-V395 HydrophobicContact CZ-CG1 3.64Å; F303-V395 HydrophobicContact CZ-CG2 3.85Å
304A98Very high97.9Very high6 Ų616.3 Ų16.35%0.0511%0.11CC..  trans-157.4157.317600000109.8K306 T327 T330A304-K306 WeakPolarHBondContact CB-O 3.21Å; A304-T327 HydrophobicContact CB-CG2 3.85Å; A304-T330 WeakPolarHBondContact CA-O 3.43Å
305T97.7Very high97.2Very high51 Ų5121 Ų2131%0.31313%0.134SC..SBendtrans-82-22.6171.363.90000111.9I139 D140 T330I139-T305 CarbonylContact C-O 3.59Å; I139-T305 WeakPolarHBondContact CA-O 3.25Å; D140-T305 PolarHBondContact N-O 2.7Å; D140-T305 WeakPolarHBondContact OD2-CB 3.39Å; D140-T305 WeakPolarHBondContact OD2-CG2 3.39Å; T305-T330 PolarHBondContact N-OG1 3Å; T305-T330 WeakPolarHBondContact OG1-CB 3.45Å; T305-T330 WeakPolarHBondContact OG1-CG2 3.4Å; T305-T330 PolarHBondContact OG1-OG1 3.29Å
306K98.1Very high96.4Very high29 Ų2921.3 Ų21.313%0.12614%0.137CC..EExtended strand (participates in β ladder)trans-145.3145.5170.564.6-170.8-175.9-169.10111.2F137 A138 I139 D188 A304 T327 F328 T330F137-K306 HydrophobicContact CZ-CB 4.24Å; A138-K306 CarbonylContact O-C 3.58Å; A138-K306 VanDerWaalsContact O-CA 3.27Å; A138-K306 WeakPolarHBondContact O-CA 3.25Å; I139-K306 HydrophobicContact CB-CB 3.94Å; I139-K306 HydrophobicContact CD1-CB 3.89Å; I139-K306 HydrophobicContact CD1-CD 3.95Å; I139-K306 HydrophobicContact CG1-CB 3.79Å; D188-K306 IonicContact OD2-NZ 2.66Å; A304-K306 WeakPolarHBondContact CB-O 3.21Å; K306-T327 WeakPolarHBondContact O-CA 3.41Å; K306-F328 HydrophobicContact CD-CB 4.32Å; K306-F328 HydrophobicContact CD-CD2 4.23Å; K306-F328 HydrophobicContact CD-CG 4.44Å; K306-F328 HydrophobicContact CG-CB 4.33Å; K306-F328 HydrophobicContact CG-CD2 3.94Å; K306-F328 HydrophobicContact CG-CG 4.48Å; K306-T330 HydrophobicContact CD-CG2 4.5Å; K306-T330 HydrophobicContact CG-CG2 4.04Å; K306-T330 PolarHBondContact N-OG1 2.72Å; K306-T330 PolarHBondContact O-OG1 3.03Å
307A98.7Very high95.8Very high0 Ų021.9 Ų21.90%014%0.142CC..EExtended strand (participates in β ladder)trans-145.2136.2178.500000111F137 A138 I298 V299 D326F137-A307 WeakPolarHBondContact CA-O 3.45Å; F137-A307 WeakPolarHBondContact CD2-O 3.32Å; A138-A307 PolarHBondContact N-O 2.95Å; A138-A307 PolarHBondContact O-N 3.34Å; I298-A307 HydrophobicContact CB-CB 4.38Å; I298-A307 HydrophobicContact CG2-CB 3.91Å; V299-A307 HydrophobicContact CG2-CB 3.99Å; A307-D326 CarbonylContact C-O 3.48Å; A307-D326 WeakPolarHBondContact CA-O 3.45Å
308E98.8Very high95.4Very high6 Ų621.9 Ų21.93%0.02814%0.142CC..EExtended strand (participates in β ladder)trans-112.1132.2167.5-170.5174.681.500109.1F135 G136 F137 R269 V325 D326 F328F135-E308 HydrophobicContact CD1-CG 3.95Å; G136-E308 CarbonylContact O-C 3.58Å; G136-E308 VanDerWaalsContact O-CA 3.24Å; G136-E308 WeakPolarHBondContact O-CA 3.21Å; F137-E308 HydrophobicContact CD2-CB 3.85Å; F137-E308 HydrophobicContact CD2-CG 4.27Å; F137-E308 HydrophobicContact CE2-CB 4.35Å; R269-E308 WeakPolarHBondContact CD-OE1 3.38Å; R269-E308 IonicContact CZ-OE1 3.98Å; R269-E308 PolarHBondContact N-OE2 2.94Å; R269-E308 IonicContact NE-OE1 3.04Å; R269-E308 IonicContact NH1-OE1 3.81Å; R269-E308 PolarHBondContact NH1-OE1 3.26Å; E308-V325 WeakPolarHBondContact O-CA 3.48Å; E308-D326 HydrophobicContact CB-CB 4.49Å; E308-D326 PolarHBondContact N-O 3.16Å; E308-D326 PolarHBondContact O-N 3.14Å; E308-F328 HydrophobicContact CB-CE2 3.71Å; E308-F328 HydrophobicContact CB-CZ 3.9Å
309V98.7Very high95.1Very high0 Ų026.1 Ų26.10%016%0.162CC..EExtended strand (participates in β ladder)trans-114.7124.1176.7176.90000107.9F135 G136 A291 I294 A295 I298 L311 R324 V325F135-V309 CarbonylContact C-O 3.38Å; F135-V309 VanDerWaalsContact CA-O 3.32Å; F135-V309 WeakPolarHBondContact CA-O 3.22Å; G136-V309 PolarHBondContact N-O 3.44Å; G136-V309 PolarHBondContact O-N 2.94Å; A291-V309 HydrophobicContact CB-CB 4.29Å; A291-V309 HydrophobicContact CB-CG1 4.17Å; I294-V309 HydrophobicContact CB-CG2 4.18Å; I294-V309 HydrophobicContact CD1-CG1 4.39Å; I294-V309 HydrophobicContact CG2-CG1 4.38Å; I294-V309 HydrophobicContact CG2-CG2 3.79Å; A295-V309 HydrophobicContact CB-CG2 3.86Å; I298-V309 HydrophobicContact CD1-CG2 4.28Å; V309-L311 HydrophobicContact CG1-CD2 4.21Å; V309-L311 HydrophobicContact CG1-CG 4.37Å; V309-R324 CarbonylContact C-O 3.56Å; V309-R324 WeakPolarHBondContact CA-O 3.42Å; V309-V325 HydrophobicContact CG2-CG2 4.45Å
310Q98.6Very high94.9Very high48 Ų4826.2 Ų26.222%0.22416%0.163CC..EExtended strand (participates in β ladder)trans-105.9128.3172.5-174.7-175.327.500109.9M134 F135 V323 R324M134-Q310 WeakPolarHBondContact O-CA 3.37Å; F135-Q310 HydrophobicContact CD1-CB 3.93Å; F135-Q310 HydrophobicContact CD1-CG 4.11Å; F135-Q310 HydrophobicContact CE1-CB 3.68Å; F135-Q310 HydrophobicContact CE1-CG 3.59Å; F135-Q310 HydrophobicContact CZ-CB 4.47Å; F135-Q310 HydrophobicContact CZ-CG 3.89Å; Q310-V323 WeakPolarHBondContact O-CA 3.44Å; Q310-R324 HydrophobicContact CB-CB 4.26Å; Q310-R324 PolarHBondContact N-O 2.87Å; Q310-R324 PolarHBondContact O-N 3.39Å
311L98.3Very high94.8Very high0 Ų029.1 Ų29.10%018%0.177CC..EExtended strand (participates in β ladder)trans-115.1146.5168.4-56.1-178.6000109L133 M134 A287 A291 V309 Y313 V323 L348L133-L311 CarbonylContact C-O 3.48Å; L133-L311 WeakPolarHBondContact CA-O 3.39Å; M134-L311 HydrophobicContact CB-CB 4.49Å; M134-L311 PolarHBondContact N-O 3.42Å; M134-L311 PolarHBondContact O-N 3.06Å; A287-L311 HydrophobicContact CB-CD1 4.16Å; A291-L311 HydrophobicContact CB-CD1 4.09Å; A291-L311 HydrophobicContact CB-CG 4.24Å; V309-L311 HydrophobicContact CG1-CD2 4.21Å; V309-L311 HydrophobicContact CG1-CG 4.37Å; L311-Y313 HydrophobicContact CB-CE2 3.95Å; L311-V323 HydrophobicContact CD2-CB 4.25Å; L311-V323 HydrophobicContact CD2-CG1 3.91Å; L311-V323 HydrophobicContact CD2-CG2 3.88Å; L311-L348 HydrophobicContact CD1-CD2 4.38Å; L311-L348 HydrophobicContact CD2-CD1 3.8Å
312A97.5Very high94.7Very high14 Ų1430.4 Ų30.412%0.11619%0.185CC..EExtended strand (participates in β ladder)trans-141.5144.4171.200000111G132 P320 V321 S322G132-A312 CarbonylContact O-C 3.6Å; G132-A312 VanDerWaalsContact O-CA 3.24Å; G132-A312 WeakPolarHBondContact O-CA 3.41Å; A312-P320 CarbonylContact O-C 3.53Å; A312-P320 WeakPolarHBondContact O-CA 3.36Å; A312-P320 WeakPolarHBondContact O-CB 3.48Å; A312-V321 HydrophobicContact CB-CG2 3.74Å; A312-V321 WeakPolarHBondContact O-CG2 3.36Å; A312-V321 PolarHBondContact O-N 3.5Å; A312-S322 WeakPolarHBondContact CB-OG 3.42Å; A312-S322 PolarHBondContact N-O 3.01Å
313Y96Very high94.7Very high7 Ų728.6 Ų28.63%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-130149.3-177.3-64-95.8000110.9A128 Q131 G132 M134 V283 A287 L311 P320 L348A128-Y313 HydrophobicContact CB-CD1 4.12Å; A128-Y313 HydrophobicContact CB-CG 4.15Å; Q131-Y313 WeakPolarHBondContact CA-O 3.41Å; G132-Y313 PolarHBondContact N-O 3.33Å; G132-Y313 VanDerWaalsContact N-O 3.1Å; G132-Y313 PolarHBondContact O-N 2.97Å; M134-Y313 HydrophobicContact SD-CD2 3.88Å; M134-Y313 HydrophobicContact SD-CE2 4.23Å; V283-Y313 HydrophobicContact CB-CD2 4.19Å; V283-Y313 HydrophobicContact CB-CG 4.48Å; V283-Y313 HydrophobicContact CG1-CD1 4.41Å; V283-Y313 HydrophobicContact CG1-CD2 4.37Å; V283-Y313 HydrophobicContact CG1-CG 4.29Å; V283-Y313 HydrophobicContact CG2-CD2 4.39Å; V283-Y313 HydrophobicContact CG2-CG 4.47Å; A287-Y313 HydrophobicContact CB-CD2 4.33Å; A287-Y313 HydrophobicContact CB-CE2 3.49Å; A287-Y313 VanDerWaalsContact CB-CE2 3.49Å; L311-Y313 HydrophobicContact CB-CE2 3.95Å; Y313-P320 HydrophobicContact CD1-CB 4.31Å; Y313-P320 HydrophobicContact CE1-CB 3.89Å; Y313-P320 HydrophobicContact CE2-CB 4.42Å; Y313-L348 VanDerWaalsContact CE1-O 3.3Å; Y313-L348 WeakPolarHBondContact CE1-O 3.5Å; Y313-L348 PolarHBondContact OH-O 3.14Å
314A90.3Very high94.7Very high36 Ų3632.8 Ų32.830%0.29818%0.179SC..  trans-100.5141.7164.600000108.8G316 V317 V321A314-G316 PolarHBondContact O-N 3.42Å; A314-V317 HydrophobicContact CB-CB 4.3Å; A314-V317 HydrophobicContact CB-CG2 3.91Å; A314-V317 WeakPolarHBondContact O-CB 3.5Å; A314-V317 PolarHBondContact O-N 2.93Å; A314-V317 VanDerWaalsContact O-N 3.11Å; A314-V321 HydrophobicContact CB-CG1 3.99Å
315I83.7Confident94.7Very high100 Ų10032.6 Ų32.651%0.51318%0.177SC..THydrogen-bonded Turntrans-55.6133.2-179.7-169.9169.6000111.3V317I315-V317 PolarHBondContact O-N 2.84Å
316G81.8Confident94.7Very high6 Ų631.3 Ų31.36%0.06217%0.169CC..THydrogen-bonded Turntrans71.69.4-179.800000115.4G107 A111 L112 A128 A314G107-G316 WeakPolarHBondContact O-CA 3.3Å; A111-G316 CarbonylContact C-O 3.58Å; A111-G316 WeakPolarHBondContact CA-O 3.27Å; L112-G316 WeakPolarHBondContact CB-O 3.35Å; L112-G316 PolarHBondContact N-O 2.83Å; A128-G316 PolarHBondContact O-N 3.22Å; A314-G316 PolarHBondContact O-N 3.42Å
317V87.6Confident94.7Very high30 Ų3029.9 Ų29.918%0.18216%0.163CC..  trans-107.1133.6174-1770000108.6L112 E113 A128 A314 I315 Q319L112-V317 HydrophobicContact CB-CG2 4.42Å; L112-V317 HydrophobicContact CD2-CG2 4.17Å; E113-V317 VanDerWaalsContact OE1-CG1 3.24Å; E113-V317 WeakPolarHBondContact OE1-CG1 3.3Å; A128-V317 PolarHBondContact N-O 2.65Å; A314-V317 HydrophobicContact CB-CB 4.3Å; A314-V317 HydrophobicContact CB-CG2 3.91Å; A314-V317 WeakPolarHBondContact O-CB 3.5Å; A314-V317 PolarHBondContact O-N 2.93Å; A314-V317 VanDerWaalsContact O-N 3.11Å; I315-V317 PolarHBondContact O-N 2.84Å; V317-Q319 WeakPolarHBondContact CG1-O 3.43Å
318A90.8Very high94.6Very high0 Ų033.9 Ų33.90%018%0.18CC..SBendtrans-76.8-44.6179.300000111.2A111 E113 R349 P350A111-A318 HydrophobicContact CB-CB 4.11Å; E113-A318 PolarHBondContact OE1-N 3.38Å; E113-A318 PolarHBondContact OE2-N 3.44Å; A318-R349 HydrophobicContact CB-CB 4.38Å; A318-R349 HydrophobicContact CB-CG 4.14Å; A318-R349 WeakPolarHBondContact O-CA 3.44Å; A318-P350 WeakPolarHBondContact O-CD 3.44Å
319Q92.4Very high94.5Very high88 Ų8836.7 Ų36.741%0.41121%0.211SC..SBendtrans-75.2139.2-177.8-67-71.2-10.700112.4E113 V317 V321E113-Q319 PolarHBondContact OE1-N 3.3Å; E113-Q319 VanDerWaalsContact OE1-N 3.13Å; V317-Q319 WeakPolarHBondContact CG1-O 3.43Å; Q319-V321 PolarHBondContact O-N 3.4Å
320P94.6Very high94.5Very high12 Ų1238.6 Ų38.68%0.07822%0.222CC..  trans-66135.5172.927.4-33.8000110.8A312 Y313 S322 V323 L348A312-P320 CarbonylContact O-C 3.53Å; A312-P320 WeakPolarHBondContact O-CA 3.36Å; A312-P320 WeakPolarHBondContact O-CB 3.48Å; Y313-P320 HydrophobicContact CD1-CB 4.31Å; Y313-P320 HydrophobicContact CE1-CB 3.89Å; Y313-P320 HydrophobicContact CE2-CB 4.42Å; P320-S322 PolarHBondContact O-N 3.43Å; P320-V323 HydrophobicContact CB-CG2 4.25Å; P320-V323 HydrophobicContact CG-CG2 3.82Å; P320-L348 HydrophobicContact CG-CB 3.97Å
321V95.3Very high94.4Very high99 Ų9938.9 Ų38.960%0.623%0.225SC*.SBendtrans-70-21.7175.6-60.30000112.4A312 A314 Q319A312-V321 HydrophobicContact CB-CG2 3.74Å; A312-V321 WeakPolarHBondContact O-CG2 3.36Å; A312-V321 PolarHBondContact O-N 3.5Å; A314-V321 HydrophobicContact CB-CG1 3.99Å; Q319-V321 PolarHBondContact O-N 3.4Å
322S95.5Very high94.3Very high39 Ų3943.8 Ų43.827%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-152.5144.9172.466.30000112A312 P320A312-S322 WeakPolarHBondContact CB-OG 3.42Å; A312-S322 PolarHBondContact N-O 3.01Å; P320-S322 PolarHBondContact O-N 3.43Å
323V97.5Very high94.3Very high10 Ų1044.9 Ų44.96%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-129.8124.4166.2-178.50000105.6Q310 L311 P320 V342 L348Q310-V323 WeakPolarHBondContact O-CA 3.44Å; L311-V323 HydrophobicContact CD2-CB 4.25Å; L311-V323 HydrophobicContact CD2-CG1 3.91Å; L311-V323 HydrophobicContact CD2-CG2 3.88Å; P320-V323 HydrophobicContact CB-CG2 4.25Å; P320-V323 HydrophobicContact CG-CG2 3.82Å; V323-V342 HydrophobicContact CG1-CG1 4.05Å; V323-L348 HydrophobicContact CG1-CD1 4.14Å; V323-L348 HydrophobicContact CG2-CD1 3.57Å
324R98.1Very high94.3Very high108 Ų10847.1 Ų47.141%0.40828%0.281SS..EExtended strand (participates in β ladder)trans-132.9139178.9174.9-178.7170.3-174.5-4.1110.2V309 Q310 D326 E339V309-R324 CarbonylContact C-O 3.56Å; V309-R324 WeakPolarHBondContact CA-O 3.42Å; Q310-R324 HydrophobicContact CB-CB 4.26Å; Q310-R324 PolarHBondContact N-O 2.87Å; Q310-R324 PolarHBondContact O-N 3.39Å; R324-D326 IonicContact CZ-OD2 3.47Å; R324-D326 IonicContact NH2-OD2 3.86Å; R324-D326 PolarHBondContact NH2-OD2 2.96Å; R324-E339 WeakPolarHBondContact CA-OE1 3.13Å
325V98.5Very high94.7Very high1 Ų148.4 Ų48.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-116.1125.7172.5-179.10000109I298 E308 V309 T327 L338 E339 V342I298-V325 HydrophobicContact CD1-CG1 4.05Å; I298-V325 HydrophobicContact CD1-CG2 4.31Å; E308-V325 WeakPolarHBondContact O-CA 3.48Å; V309-V325 HydrophobicContact CG2-CG2 4.45Å; V325-T327 HydrophobicContact CG1-CG2 4.07Å; V325-L338 HydrophobicContact CG1-CB 4.26Å; V325-L338 HydrophobicContact CG1-CD1 4.15Å; V325-E339 HydrophobicContact CB-CG 3.94Å; V325-E339 HydrophobicContact CG2-CG 3.81Å; V325-E339 PolarHBondContact N-OE1 3.06Å; V325-E339 VanDerWaalsContact N-OE1 3.08Å; V325-V342 HydrophobicContact CG2-CG2 4.35Å
326D98.4Very high95.3Very high24 Ų2447.6 Ų47.613%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-121.5118174.9-164.8-31.4000109A307 E308 R324 F328A307-D326 CarbonylContact C-O 3.48Å; A307-D326 WeakPolarHBondContact CA-O 3.45Å; E308-D326 HydrophobicContact CB-CB 4.49Å; E308-D326 PolarHBondContact N-O 3.16Å; E308-D326 PolarHBondContact O-N 3.14Å; R324-D326 IonicContact CZ-OD2 3.47Å; R324-D326 IonicContact NH2-OD2 3.86Å; R324-D326 PolarHBondContact NH2-OD2 2.96Å; D326-F328 WeakPolarHBondContact O-CE2 3.45Å; D326-F328 PolarHBondContact OD1-N 3.41Å
327T98.3Very high96Very high0 Ų051 Ų510%030%0.297CS..  trans-104.83.6-17762.80000112.3A304 K306 V325 G329 T330 N331 E335 L338A304-T327 HydrophobicContact CB-CG2 3.85Å; K306-T327 WeakPolarHBondContact O-CA 3.41Å; V325-T327 HydrophobicContact CG1-CG2 4.07Å; T327-G329 PolarHBondContact O-N 3.07Å; T327-G329 VanDerWaalsContact O-N 3.13Å; T327-T330 WeakPolarHBondContact O-CB 3.2Å; T327-T330 PolarHBondContact O-N 3.46Å; T327-T330 PolarHBondContact O-OG1 2.94Å; T327-N331 HydrophobicContact CG2-CB 3.99Å; T327-N331 VanDerWaalsContact OG1-CB 3.23Å; T327-N331 WeakPolarHBondContact OG1-CB 3.49Å; T327-N331 VanDerWaalsContact OG1-CG 3.26Å; T327-N331 PolarHBondContact OG1-OD1 2.89Å; T327-N331 VanDerWaalsContact OG1-OD1 3.11Å; T327-E335 HydrophobicContact CG2-CG 4.13Å; T327-E335 PolarHBondContact N-OE1 2.65Å; T327-E335 PolarHBondContact OG1-OE1 3.41Å; T327-L338 HydrophobicContact CG2-CD1 3.84Å
328F97Very high96.5Very high83 Ų8349.6 Ų49.636%0.36429%0.288SS..THydrogen-bonded Turntrans52.834.9178.5-53-92.9000112.7F137 K306 E308 D326 T330F137-F328 AromaticContact CE2-CE2 3.81Å; F137-F328 HydrophobicContact CE2-CE2 3.81Å; F137-F328 HydrophobicContact CE2-CZ 4.28Å; K306-F328 HydrophobicContact CD-CB 4.32Å; K306-F328 HydrophobicContact CD-CD2 4.23Å; K306-F328 HydrophobicContact CD-CG 4.44Å; K306-F328 HydrophobicContact CG-CB 4.33Å; K306-F328 HydrophobicContact CG-CD2 3.94Å; K306-F328 HydrophobicContact CG-CG 4.48Å; E308-F328 HydrophobicContact CB-CE2 3.71Å; E308-F328 HydrophobicContact CB-CZ 3.9Å; D326-F328 WeakPolarHBondContact O-CE2 3.45Å; D326-F328 PolarHBondContact OD1-N 3.41Å; F328-T330 VanDerWaalsContact C-N 3.31Å; F328-T330 PolarHBondContact O-N 3.46Å
329G96.4Very high96.8Very high66 Ų6652 Ų5268%0.6830%0.3SS*.THydrogen-bonded Turntrans73.814-179.400000115.5T327T327-G329 PolarHBondContact O-N 3.07Å; T327-G329 VanDerWaalsContact O-N 3.13Å
330T97.2Very high97.1Very high39 Ų3950.7 Ų50.724%0.23930%0.304CS..  trans-95.73.8178.669.50000113.7A304 T305 K306 T327 F328A304-T330 WeakPolarHBondContact CA-O 3.43Å; T305-T330 PolarHBondContact N-OG1 3Å; T305-T330 WeakPolarHBondContact OG1-CB 3.45Å; T305-T330 WeakPolarHBondContact OG1-CG2 3.4Å; T305-T330 PolarHBondContact OG1-OG1 3.29Å; K306-T330 HydrophobicContact CD-CG2 4.5Å; K306-T330 HydrophobicContact CG-CG2 4.04Å; K306-T330 PolarHBondContact N-OG1 2.72Å; K306-T330 PolarHBondContact O-OG1 3.03Å; T327-T330 WeakPolarHBondContact O-CB 3.2Å; T327-T330 PolarHBondContact O-N 3.46Å; T327-T330 PolarHBondContact O-OG1 2.94Å; F328-T330 VanDerWaalsContact C-N 3.31Å; F328-T330 PolarHBondContact O-N 3.46Å
331N96.9Very high97.2Very high54 Ų5450.1 Ų50.129%0.28930%0.3SS..  trans-73.8147.9-175.455-52.6000114.4F303 T327 V333F303-N331 CarbonylContact O-C 3.48Å; F303-N331 WeakPolarHBondContact O-CA 3.25Å; T327-N331 HydrophobicContact CG2-CB 3.99Å; T327-N331 VanDerWaalsContact OG1-CB 3.23Å; T327-N331 WeakPolarHBondContact OG1-CB 3.49Å; T327-N331 VanDerWaalsContact OG1-CG 3.26Å; T327-N331 PolarHBondContact OG1-OD1 2.89Å; T327-N331 VanDerWaalsContact OG1-OD1 3.11Å; N331-V333 WeakPolarHBondContact CB-O 3.38Å; N331-V333 PolarHBondContact ND2-O 3.09Å
332T96.8Very high97.4Very high103 Ų10345.4 Ų45.463%0.63227%0.272SS*.SBendtrans-97.6-11.5171.159.30000113.1G302 F303G302-T332 PolarHBondContact O-OG1 3.36Å; F303-T332 PolarHBondContact O-N 2.79Å; F303-T332 PolarHBondContact O-OG1 2.66Å
333V96.5Very high97.4Very high37 Ų3749.8 Ų49.822%0.22428%0.282CS..SBendtrans-135.9157.5177.2-60.10000110.1F303 N331 E335 L338 V395F303-V333 HydrophobicContact CD1-CG1 4.22Å; F303-V333 HydrophobicContact CD1-CG2 3.93Å; F303-V333 HydrophobicContact CE1-CG1 4.36Å; F303-V333 HydrophobicContact CG-CG2 4.45Å; N331-V333 WeakPolarHBondContact CB-O 3.38Å; N331-V333 PolarHBondContact ND2-O 3.09Å; V333-E335 PolarHBondContact O-N 3.18Å; V333-L338 HydrophobicContact CG2-CD1 4.27Å; V333-L338 HydrophobicContact CG2-CD2 3.63Å; V333-L338 HydrophobicContact CG2-CG 3.77Å; V333-V395 HydrophobicContact CB-CG1 4.2Å; V333-V395 HydrophobicContact CG1-CG1 3.86Å; V333-V395 HydrophobicContact CG2-CG1 3.89Å
334A97.1Very high97.4Very high55 Ų5556.3 Ų56.346%0.45531%0.312SS..  trans-58.7138.717900000112.2S336 K337 L338A334-S336 PolarHBondContact O-N 2.75Å; A334-K337 WeakPolarHBondContact O-CA 3.15Å; A334-K337 WeakPolarHBondContact O-CB 3.19Å; A334-K337 PolarHBondContact O-N 2.7Å; A334-L338 PolarHBondContact O-N 2.89Å
335E97.6Very high97.4Very high62 Ų6252.2 Ų52.229%0.2930%0.299SS..Hα-helixtrans-58.4-35.8179.4-67.5176.1156.300112.1T327 V333 K337 L338 E339T327-E335 HydrophobicContact CG2-CG 4.13Å; T327-E335 PolarHBondContact N-OE1 2.65Å; T327-E335 PolarHBondContact OG1-OE1 3.41Å; V333-E335 PolarHBondContact O-N 3.18Å; E335-K337 PolarHBondContact O-N 3.12Å; E335-L338 CarbonylContact O-C 3.58Å; E335-L338 WeakPolarHBondContact O-CA 3.18Å; E335-L338 WeakPolarHBondContact O-CB 3.3Å; E335-L338 PolarHBondContact O-N 3.46Å; E335-E339 WeakPolarHBondContact O-CG 3.29Å; E335-E339 PolarHBondContact O-N 3.05Å
336S96.9Very high97.4Very high83 Ų8352.4 Ų52.458%0.5830%0.3SS*.Hα-helixtrans-61.5-30.2174.1570000113.5A334 A340A334-S336 PolarHBondContact O-N 2.75Å; S336-A340 PolarHBondContact O-N 2.81Å; S336-A340 VanDerWaalsContact O-N 3.1Å
337K97.2Very high97.3Very high78 Ų7853.5 Ų53.534%0.33931%0.305SS..Hα-helixtrans-73-37.5173.6-163.5172.6-166.3-1750110.9A334 E335 A340 A341 V395 K396A334-K337 WeakPolarHBondContact O-CA 3.15Å; A334-K337 WeakPolarHBondContact O-CB 3.19Å; A334-K337 PolarHBondContact O-N 2.7Å; E335-K337 PolarHBondContact O-N 3.12Å; K337-A340 PolarHBondContact O-N 2.74Å; K337-A341 WeakPolarHBondContact O-CB 3.37Å; K337-A341 PolarHBondContact O-N 3.33Å; K337-V395 HydrophobicContact CD-CG1 4.15Å; K337-V395 WeakPolarHBondContact CE-O 3.49Å; K337-V395 HydrophobicContact CG-CG1 4.42Å; K337-V395 PolarHBondContact NZ-O 2.99Å; K337-K396 PolarHBondContact NZ-O 3.44Å; K337-K396 PolarHBondContact NZ-OXT 3.2Å
338L97.8Very high97.2Very high0 Ų053.9 Ų53.90%031%0.307CS..Hα-helixtrans-64.3-44.4172.5-63.7174.8000111.1I298 F303 V325 T327 V333 A334 E335 A340 A341 V342 V395I298-L338 HydrophobicContact CG2-CD1 4.23Å; F303-L338 HydrophobicContact CB-CD2 3.88Å; F303-L338 HydrophobicContact CD1-CD2 4.43Å; F303-L338 HydrophobicContact CD2-CD2 3.93Å; F303-L338 HydrophobicContact CG-CD2 3.83Å; V325-L338 HydrophobicContact CG1-CB 4.26Å; V325-L338 HydrophobicContact CG1-CD1 4.15Å; T327-L338 HydrophobicContact CG2-CD1 3.84Å; V333-L338 HydrophobicContact CG2-CD1 4.27Å; V333-L338 HydrophobicContact CG2-CD2 3.63Å; V333-L338 HydrophobicContact CG2-CG 3.77Å; A334-L338 PolarHBondContact O-N 2.89Å; E335-L338 CarbonylContact O-C 3.58Å; E335-L338 WeakPolarHBondContact O-CA 3.18Å; E335-L338 WeakPolarHBondContact O-CB 3.3Å; E335-L338 PolarHBondContact O-N 3.46Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 2.88Å; L338-A341 PolarHBondContact O-N 2.96Å; L338-V342 WeakPolarHBondContact O-CB 3.36Å; L338-V342 VanDerWaalsContact O-CG2 3.23Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.3Å; L338-V395 HydrophobicContact CD2-CG2 4.08Å
339E98Very high97.2Very high52 Ų5250.9 Ų50.924%0.24329%0.294CS..Hα-helixtrans-59.6-42.7176.9-71.7173.4168.400112.2R324 V325 E335 V342 R343R324-E339 WeakPolarHBondContact CA-OE1 3.13Å; V325-E339 HydrophobicContact CB-CG 3.94Å; V325-E339 HydrophobicContact CG2-CG 3.81Å; V325-E339 PolarHBondContact N-OE1 3.06Å; V325-E339 VanDerWaalsContact N-OE1 3.08Å; E335-E339 WeakPolarHBondContact O-CG 3.29Å; E335-E339 PolarHBondContact O-N 3.05Å; E339-V342 PolarHBondContact O-N 3.34Å; E339-R343 WeakPolarHBondContact O-CG 3.2Å; E339-R343 PolarHBondContact O-N 3.07Å; E339-R343 VanDerWaalsContact O-N 3.12Å
340A97.4Very high97.1Very high59 Ų5947.8 Ų47.849%0.48826%0.262SS..Hα-helixtrans-62.7-48.5174.800000111.7S336 K337 L338 V342 R343 E344S336-A340 PolarHBondContact O-N 2.81Å; S336-A340 VanDerWaalsContact O-N 3.1Å; K337-A340 PolarHBondContact O-N 2.74Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 2.88Å; A340-V342 VanDerWaalsContact C-N 3.29Å; A340-V342 PolarHBondContact O-N 3.34Å; A340-R343 PolarHBondContact O-N 2.99Å; A340-E344 PolarHBondContact O-N 3Å; A340-E344 VanDerWaalsContact O-N 3.08Å
341A97.9Very high96.9Very high1 Ų146.5 Ų46.51%0.00826%0.255CS..Hα-helixtrans-61.6-36.9177.200000112.4K337 L338 E344 V345 L391 A394 V395K337-A341 WeakPolarHBondContact O-CB 3.37Å; K337-A341 PolarHBondContact O-N 3.33Å; L338-A341 PolarHBondContact O-N 2.96Å; A341-E344 PolarHBondContact O-N 2.87Å; A341-V345 VanDerWaalsContact O-CB 3.32Å; A341-V345 WeakPolarHBondContact O-CB 3.33Å; A341-V345 VanDerWaalsContact O-CG2 3.27Å; A341-V345 WeakPolarHBondContact O-CG2 3.22Å; A341-V345 PolarHBondContact O-N 3.06Å; A341-L391 HydrophobicContact CB-CD2 4.2Å; A341-A394 HydrophobicContact CB-CB 3.71Å; A341-V395 HydrophobicContact CB-CG2 3.53Å
342V98.1Very high96.9Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-62.1-44.5175.51670000110.9I294 I298 V323 V325 L338 E339 A340 E344 V345 F346 L348I294-V342 HydrophobicContact CD1-CG1 4.09Å; I294-V342 HydrophobicContact CG2-CB 4.42Å; I294-V342 HydrophobicContact CG2-CG1 3.97Å; I294-V342 HydrophobicContact CG2-CG2 3.49Å; I294-V342 VanDerWaalsContact CG2-CG2 3.49Å; I298-V342 HydrophobicContact CD1-CG2 4.1Å; V323-V342 HydrophobicContact CG1-CG1 4.05Å; V325-V342 HydrophobicContact CG2-CG2 4.35Å; L338-V342 WeakPolarHBondContact O-CB 3.36Å; L338-V342 VanDerWaalsContact O-CG2 3.23Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.3Å; E339-V342 PolarHBondContact O-N 3.34Å; A340-V342 VanDerWaalsContact C-N 3.29Å; A340-V342 PolarHBondContact O-N 3.34Å; V342-E344 VanDerWaalsContact C-N 3.26Å; V342-E344 PolarHBondContact O-N 3.3Å; V342-V345 PolarHBondContact O-N 3.35Å; V342-F346 HydrophobicContact CB-CD2 4.42Å; V342-F346 HydrophobicContact CG1-CD2 4.2Å; V342-F346 HydrophobicContact CG2-CE2 4.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.16Å; V342-F346 PolarHBondContact O-N 2.97Å; V342-L348 HydrophobicContact CG1-CD1 4.21Å
343R96.7Very high96.9Very high130 Ų13039.1 Ų39.149%0.49121%0.212SC..Hα-helixtrans-66.9-27.2177.8-69.1177.7-177.8-74.74.7113.3E339 A340E339-R343 WeakPolarHBondContact O-CG 3.2Å; E339-R343 PolarHBondContact O-N 3.07Å; E339-R343 VanDerWaalsContact O-N 3.12Å; A340-R343 PolarHBondContact O-N 2.99Å
344E96.9Very high97Very high147 Ų14737.9 Ų37.969%0.68720%0.204SC*.Hα-helixtrans-79.5-42.1176.6-175-178.8155.400112.3A340 A341 V342A340-E344 PolarHBondContact O-N 3Å; A340-E344 VanDerWaalsContact O-N 3.08Å; A341-E344 PolarHBondContact O-N 2.87Å; V342-E344 VanDerWaalsContact C-N 3.26Å; V342-E344 PolarHBondContact O-N 3.3Å
345V97.8Very high97Very high22 Ų2241.8 Ų41.813%0.13321%0.213CC..Hα-helixtrans-89.4-27.1-169173.50000113.4A341 V342 K387 A390 L391 A394A341-V345 VanDerWaalsContact O-CB 3.32Å; A341-V345 WeakPolarHBondContact O-CB 3.33Å; A341-V345 VanDerWaalsContact O-CG2 3.27Å; A341-V345 WeakPolarHBondContact O-CG2 3.22Å; A341-V345 PolarHBondContact O-N 3.06Å; V342-V345 PolarHBondContact O-N 3.35Å; V345-K387 HydrophobicContact CG1-CB 4.33Å; V345-K387 HydrophobicContact CG1-CD 3.84Å; V345-K387 PolarHBondContact O-NZ 2.92Å; V345-A390 HydrophobicContact CG1-CB 3.84Å; V345-A390 HydrophobicContact CG2-CB 4.33Å; V345-L391 HydrophobicContact CB-CD2 4.47Å; V345-L391 HydrophobicContact CG1-CG 4.48Å; V345-L391 HydrophobicContact CG2-CD2 4.4Å; V345-A394 HydrophobicContact CG2-CB 3.72Å
346F98.2Very high97Very high5 Ų541.1 Ų41.12%0.02221%0.211CC..  trans-121.3124.2-174.9-53.9-94.9000110.4Y293 I294 N297 V342 L348 M356 K387 L391Y293-F346 AromaticContact CD1-CD1 3.95Å; Y293-F346 HydrophobicContact CD1-CD1 3.95Å; Y293-F346 AromaticContact CD1-CE1 3.66Å; Y293-F346 HydrophobicContact CD1-CE1 3.66Å; Y293-F346 AromaticContact CE1-CD1 3.91Å; Y293-F346 HydrophobicContact CE1-CD1 3.91Å; Y293-F346 AromaticContact CE1-CE1 3.57Å; Y293-F346 HydrophobicContact CE1-CE1 3.57Å; I294-F346 HydrophobicContact CD1-CB 4.47Å; I294-F346 HydrophobicContact CD1-CG 4.34Å; I294-F346 HydrophobicContact CG1-CB 4.44Å; I294-F346 HydrophobicContact CG1-CD1 3.73Å; I294-F346 HydrophobicContact CG1-CD2 4.01Å; I294-F346 HydrophobicContact CG1-CE1 3.87Å; I294-F346 HydrophobicContact CG1-CE2 4.14Å; I294-F346 HydrophobicContact CG1-CG 3.8Å; I294-F346 HydrophobicContact CG1-CZ 4.08Å; I294-F346 HydrophobicContact CG2-CE2 4.31Å; N297-F346 HydrophobicContact CB-CZ 4.45Å; V342-F346 HydrophobicContact CB-CD2 4.42Å; V342-F346 HydrophobicContact CG1-CD2 4.2Å; V342-F346 HydrophobicContact CG2-CE2 4.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.16Å; V342-F346 PolarHBondContact O-N 2.97Å; F346-L348 HydrophobicContact CB-CD2 3.88Å; F346-L348 HydrophobicContact CB-CG 4.43Å; F346-L348 PolarHBondContact O-N 2.84Å; F346-M356 HydrophobicContact CB-SD 4.38Å; F346-M356 HydrophobicContact CD1-CE 4.16Å; F346-M356 HydrophobicContact CD1-SD 3.81Å; F346-K387 HydrophobicContact CD1-CG 4.48Å; F346-K387 HydrophobicContact CE1-CB 3.8Å; F346-K387 HydrophobicContact CE1-CD 4.33Å; F346-K387 HydrophobicContact CE1-CG 3.68Å; F346-K387 HydrophobicContact CZ-CB 3.68Å; F346-K387 HydrophobicContact CZ-CG 4.09Å; F346-L391 HydrophobicContact CE2-CD1 4.14Å; F346-L391 HydrophobicContact CE2-CD2 3.74Å; F346-L391 HydrophobicContact CE2-CG 3.94Å; F346-L391 HydrophobicContact CZ-CD1 4.07Å; F346-L391 HydrophobicContact CZ-CD2 4.45Å; F346-L391 HydrophobicContact CZ-CG 4.18Å
347D96.7Very high97Very high47 Ų4737.3 Ų37.325%0.25118%0.184SC..  trans-80.3113.7168.2-165.2-36.4000109.2L123 R349L123-D347 VanDerWaalsContact CD1-OD2 3.28Å; L123-D347 WeakPolarHBondContact CD1-OD2 3.08Å; D347-R349 WeakPolarHBondContact OD1-CB 3.44Å; D347-R349 WeakPolarHBondContact OD1-CG 3.05Å; D347-R349 IonicContact OD1-CZ 3.74Å; D347-R349 PolarHBondContact OD1-N 2.92Å; D347-R349 IonicContact OD1-NE 3.98Å; D347-R349 PolarHBondContact OD1-NE 3.49Å; D347-R349 IonicContact OD1-NH2 2.85Å; D347-R349 IonicContact OD2-CZ 2.74Å; D347-R349 IonicContact OD2-NE 3.85Å; D347-R349 PolarHBondContact OD2-NE 2.81Å; D347-R349 IonicContact OD2-NH2 3.54Å; D347-R349 PolarHBondContact OD2-NH2 3.5Å
348L97.1Very high97.1Very high8 Ų837.8 Ų37.84%0.04219%0.19CC..  trans-99.19-174.3-56.5178.9000112.8I294 L311 Y313 P320 V323 V342 F346I294-L348 HydrophobicContact CD1-CD2 3.6Å; L311-L348 HydrophobicContact CD1-CD2 4.38Å; L311-L348 HydrophobicContact CD2-CD1 3.8Å; Y313-L348 VanDerWaalsContact CE1-O 3.3Å; Y313-L348 WeakPolarHBondContact CE1-O 3.5Å; Y313-L348 PolarHBondContact OH-O 3.14Å; P320-L348 HydrophobicContact CG-CB 3.97Å; V323-L348 HydrophobicContact CG1-CD1 4.14Å; V323-L348 HydrophobicContact CG2-CD1 3.57Å; V342-L348 HydrophobicContact CG1-CD1 4.21Å; F346-L348 HydrophobicContact CB-CD2 3.88Å; F346-L348 HydrophobicContact CB-CG 4.43Å; F346-L348 PolarHBondContact O-N 2.84Å
349R95.6Very high97.1Very high21 Ų2137.9 Ų37.98%0.07919%0.19CC..SBendtrans-70149.5167.7-64172.8-76-172.61.3109.6D121 L123 D124 A318 D347 A351 G352 I353D121-R349 VanDerWaalsContact CG-NH1 3.32Å; D121-R349 IonicContact OD2-CZ 3.52Å; D121-R349 VanDerWaalsContact OD2-CZ 3.28Å; D121-R349 IonicContact OD2-NH1 3.28Å; D121-R349 PolarHBondContact OD2-NH1 3.34Å; D121-R349 IonicContact OD2-NH2 2.67Å; D121-R349 PolarHBondContact OD2-NH2 2.67Å; L123-R349 VanDerWaalsContact CB-NH2 3.32Å; D124-R349 VanDerWaalsContact CG-NH1 3.26Å; D124-R349 WeakPolarHBondContact OD1-CD 3.46Å; D124-R349 IonicContact OD1-CZ 2.74Å; D124-R349 IonicContact OD1-NE 2.85Å; D124-R349 IonicContact OD1-NH1 3.92Å; D124-R349 PolarHBondContact OD1-NH1 2.98Å; D124-R349 IonicContact OD2-NH1 3.63Å; D124-R349 PolarHBondContact OD2-NH1 3.12Å; A318-R349 HydrophobicContact CB-CB 4.38Å; A318-R349 HydrophobicContact CB-CG 4.14Å; A318-R349 WeakPolarHBondContact O-CA 3.44Å; D347-R349 WeakPolarHBondContact OD1-CB 3.44Å; D347-R349 WeakPolarHBondContact OD1-CG 3.05Å; D347-R349 IonicContact OD1-CZ 3.74Å; D347-R349 PolarHBondContact OD1-N 2.92Å; D347-R349 IonicContact OD1-NE 3.98Å; D347-R349 PolarHBondContact OD1-NE 3.49Å; D347-R349 IonicContact OD1-NH2 2.85Å; D347-R349 IonicContact OD2-CZ 2.74Å; D347-R349 IonicContact OD2-NE 3.85Å; D347-R349 PolarHBondContact OD2-NE 2.81Å; D347-R349 IonicContact OD2-NH2 3.54Å; D347-R349 PolarHBondContact OD2-NH2 3.5Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 3.21Å; R349-G352 CarbonylContact O-C 3.5Å; R349-G352 WeakPolarHBondContact O-CA 2.88Å; R349-G352 PolarHBondContact O-N 2.9Å; R349-I353 WeakPolarHBondContact O-CG1 3.14Å; R349-I353 PolarHBondContact O-N 3.43Å
350P93.9Very high97.1Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-50.5-46.9177.8-28.934.1000113.2I126 A128 V283 A318 G352 I353 I354I126-P350 HydrophobicContact CB-CB 4.42Å; I126-P350 HydrophobicContact CG2-CB 3.91Å; A128-P350 HydrophobicContact CB-CG 4.44Å; V283-P350 HydrophobicContact CG1-CB 4.41Å; V283-P350 HydrophobicContact CG1-CG 3.9Å; A318-P350 WeakPolarHBondContact O-CD 3.44Å; P350-G352 PolarHBondContact O-N 3.17Å; P350-I353 PolarHBondContact O-N 3.24Å; P350-I354 WeakPolarHBondContact O-CD1 3.49Å; P350-I354 WeakPolarHBondContact O-CG1 3.41Å; P350-I354 PolarHBondContact O-N 3.18Å
351A94.5Very high97.1Very high12 Ų1240.4 Ų40.410%0.09919%0.187CC..Hα-helixtrans-62.9-42175.800000112.5L123 I126 R349 I353 I354 Q355L123-A351 HydrophobicContact CD2-CB 4.02Å; L123-A351 WeakPolarHBondContact O-CB 3.31Å; I126-A351 HydrophobicContact CB-CB 4.12Å; I126-A351 HydrophobicContact CD1-CB 4.01Å; I126-A351 HydrophobicContact CG1-CB 4.14Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 3.21Å; A351-I353 PolarHBondContact O-N 2.95Å; A351-I354 PolarHBondContact O-N 3.49Å; A351-Q355 WeakPolarHBondContact O-CB 3.1Å; A351-Q355 PolarHBondContact O-N 3.2Å
352G96.5Very high97.1Very high3 Ų342.6 Ų42.63%0.03120%0.201CC..Hα-helixtrans-60.2-43.9176.600000112.6R349 P350 Q355 M356R349-G352 CarbonylContact O-C 3.5Å; R349-G352 WeakPolarHBondContact O-CA 2.88Å; R349-G352 PolarHBondContact O-N 2.9Å; P350-G352 PolarHBondContact O-N 3.17Å; G352-Q355 PolarHBondContact O-N 3.44Å; G352-M356 WeakPolarHBondContact O-CB 3.38Å; G352-M356 PolarHBondContact O-N 3.17Å
353I97.8Very high97.1Very high0 Ų043.6 Ų43.60%021%0.206CC..Hα-helixtrans-64.5-47.2176.3-66.8168.3000111S286 A287 A290 R349 P350 A351 Q355 M356 L357 L359S286-I353 WeakPolarHBondContact O-CG2 3.47Å; A287-I353 HydrophobicContact CB-CD1 4.2Å; A290-I353 HydrophobicContact CB-CD1 3.87Å; A290-I353 HydrophobicContact CB-CG1 3.92Å; A290-I353 HydrophobicContact CB-CG2 3.91Å; R349-I353 WeakPolarHBondContact O-CG1 3.14Å; R349-I353 PolarHBondContact O-N 3.43Å; P350-I353 PolarHBondContact O-N 3.24Å; A351-I353 PolarHBondContact O-N 2.95Å; I353-Q355 VanDerWaalsContact C-N 3.29Å; I353-Q355 PolarHBondContact O-N 3.44Å; I353-M356 PolarHBondContact O-N 2.87Å; I353-L357 HydrophobicContact CG2-CD1 4.06Å; I353-L357 WeakPolarHBondContact O-CB 3.26Å; I353-L357 PolarHBondContact O-N 3.34Å; I353-L359 HydrophobicContact CG2-CD1 4.19Å
354I97.1Very high97.2Very high10 Ų1037.4 Ų37.45%0.05118%0.183CC..Hα-helixtrans-58.2-44.3179.5-70.1166.1000110.8I126 A280 T281 P350 A351 D358 L359 K360I126-I354 HydrophobicContact CD1-CD1 4.47Å; A280-I354 HydrophobicContact CB-CD1 4.13Å; A280-I354 HydrophobicContact CB-CG1 3.74Å; T281-I354 HydrophobicContact CG2-CD1 4.11Å; P350-I354 WeakPolarHBondContact O-CD1 3.49Å; P350-I354 WeakPolarHBondContact O-CG1 3.41Å; P350-I354 PolarHBondContact O-N 3.18Å; A351-I354 PolarHBondContact O-N 3.49Å; I354-D358 WeakPolarHBondContact O-CA 3.46Å; I354-D358 PolarHBondContact O-N 3.11Å; I354-L359 HydrophobicContact CG2-CB 4.44Å; I354-L359 PolarHBondContact O-N 2.83Å; I354-L359 VanDerWaalsContact O-N 3.12Å; I354-K360 HydrophobicContact CG2-CD 4.1Å; I354-K360 HydrophobicContact CG2-CG 3.72Å
355Q97.1Very high97.3Very high138 Ų13833.1 Ų33.165%0.64516%0.161SC*.Hα-helixtrans-68.6-47.7177.6-174.3-176.412.600111.7A351 G352 I353 L357 D358A351-Q355 WeakPolarHBondContact O-CB 3.1Å; A351-Q355 PolarHBondContact O-N 3.2Å; G352-Q355 PolarHBondContact O-N 3.44Å; I353-Q355 VanDerWaalsContact C-N 3.29Å; I353-Q355 PolarHBondContact O-N 3.44Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.14Å; Q355-D358 PolarHBondContact O-N 2.84Å
356M97.5Very high97.3Very high47 Ų4735.7 Ų35.723%0.23217%0.171CC..Hα-helixtrans-59.8-38-177.7177.8174.46300112.3Y293 F346 G352 I353Y293-M356 HydrophobicContact CD1-CE 4.13Å; Y293-M356 HydrophobicContact CD1-SD 4.39Å; Y293-M356 HydrophobicContact CE1-CE 4.23Å; Y293-M356 HydrophobicContact CE1-CG 4.33Å; Y293-M356 HydrophobicContact CE1-SD 3.91Å; F346-M356 HydrophobicContact CB-SD 4.38Å; F346-M356 HydrophobicContact CD1-CE 4.16Å; F346-M356 HydrophobicContact CD1-SD 3.81Å; G352-M356 WeakPolarHBondContact O-CB 3.38Å; G352-M356 PolarHBondContact O-N 3.17Å; I353-M356 PolarHBondContact O-N 2.87Å
357L98.4Very high97.3Very high4 Ų435.4 Ų35.42%0.02117%0.17CC..THydrogen-bonded Turntrans-103.13.1-176.4-63.2-179.4000113.3Y293 I353 Q355 L359 P381 W382Y293-L357 HydrophobicContact CD1-CD2 3.95Å; Y293-L357 HydrophobicContact CD2-CD2 4.46Å; Y293-L357 HydrophobicContact CE1-CD2 4.1Å; Y293-L357 HydrophobicContact CG-CD2 4.12Å; I353-L357 HydrophobicContact CG2-CD1 4.06Å; I353-L357 WeakPolarHBondContact O-CB 3.26Å; I353-L357 PolarHBondContact O-N 3.34Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.14Å; L357-L359 HydrophobicContact CB-CD1 4.07Å; L357-L359 HydrophobicContact CB-CD2 3.73Å; L357-L359 HydrophobicContact CB-CG 3.64Å; L357-L359 HydrophobicContact CD1-CD1 4.37Å; L357-L359 PolarHBondContact O-N 3.4Å; L357-P381 HydrophobicContact CB-CB 4.05Å; L357-P381 HydrophobicContact CD2-CB 4.1Å; L357-P381 WeakPolarHBondContact O-CB 3.36Å; L357-P381 WeakPolarHBondContact O-CG 3.36Å; L357-W382 HydrophobicContact CD1-CB 4.26Å; L357-W382 HydrophobicContact CD2-CB 4.45Å
358D97.9Very high97.4Very high87 Ų8733.2 Ų33.247%0.46516%0.158SC..THydrogen-bonded Turntrans48.556.9179-172.921.6000112.5I354 Q355 R361I354-D358 WeakPolarHBondContact O-CA 3.46Å; I354-D358 PolarHBondContact O-N 3.11Å; Q355-D358 PolarHBondContact O-N 2.84Å; D358-R361 PolarHBondContact O-NE 3.43Å; D358-R361 PolarHBondContact O-NH2 2.79Å; D358-R361 VanDerWaalsContact O-NH2 3.14Å; D358-R361 IonicContact OD1-NE 3.91Å; D358-R361 PolarHBondContact OD1-NE 3.12Å; D358-R361 WeakPolarHBondContact OD2-CD 3.35Å; D358-R361 IonicContact OD2-CZ 3.12Å; D358-R361 IonicContact OD2-NE 3.37Å; D358-R361 PolarHBondContact OD2-NE 3.09Å; D358-R361 IonicContact OD2-NH1 3.74Å; D358-R361 IonicContact OD2-NH2 3.56Å; D358-R361 PolarHBondContact OD2-NH2 3.17Å
359L98.4Very high97.5Very high2 Ų233 Ų331%0.0116%0.158CC..  trans-89.5-7.3-167.8-65.7-177.1000114.7A280 Y289 I353 I354 L357 R361 Y364 W382A280-L359 HydrophobicContact CB-CB 3.58Å; A280-L359 HydrophobicContact CB-CD1 4.16Å; Y289-L359 HydrophobicContact CD2-CD2 4.46Å; I353-L359 HydrophobicContact CG2-CD1 4.19Å; I354-L359 HydrophobicContact CG2-CB 4.44Å; I354-L359 PolarHBondContact O-N 2.83Å; I354-L359 VanDerWaalsContact O-N 3.12Å; L357-L359 HydrophobicContact CB-CD1 4.07Å; L357-L359 HydrophobicContact CB-CD2 3.73Å; L357-L359 HydrophobicContact CB-CG 3.64Å; L357-L359 HydrophobicContact CD1-CD1 4.37Å; L357-L359 PolarHBondContact O-N 3.4Å; L359-R361 PolarHBondContact O-N 3.48Å; L359-Y364 WeakPolarHBondContact CB-OH 3.49Å; L359-Y364 PolarHBondContact O-OH 3.17Å; L359-W382 HydrophobicContact CD2-CE3 4.13Å; L359-W382 HydrophobicContact CD2-CZ3 3.86Å
360K97.5Very high97.6Very high74 Ų7432.9 Ų32.932%0.32216%0.157SC..SBendtrans-84.451.3178.2-69.3-176.1171.1-172.80111.6P37 D38 I354P37-K360 HydrophobicContact CB-CB 4.11Å; P37-K360 WeakPolarHBondContact O-CB 3.39Å; P37-K360 WeakPolarHBondContact O-CD 3.38Å; P37-K360 WeakPolarHBondContact O-CG 3.22Å; D38-K360 IonicContact OD1-NZ 2.83Å; D38-K360 PolarHBondContact OD1-NZ 3.14Å; I354-K360 HydrophobicContact CG2-CD 4.1Å; I354-K360 HydrophobicContact CG2-CG 3.72Å
361R97.7Very high97.8Very high90 Ų9032.9 Ų32.934%0.3416%0.157SC..SBendtrans-142.4152.8-175.8-65-176.1-60.7140.4-2.8111.1D358 L359 I363 Y364D358-R361 PolarHBondContact O-NE 3.43Å; D358-R361 PolarHBondContact O-NH2 2.79Å; D358-R361 VanDerWaalsContact O-NH2 3.14Å; D358-R361 IonicContact OD1-NE 3.91Å; D358-R361 PolarHBondContact OD1-NE 3.12Å; D358-R361 WeakPolarHBondContact OD2-CD 3.35Å; D358-R361 IonicContact OD2-CZ 3.12Å; D358-R361 IonicContact OD2-NE 3.37Å; D358-R361 PolarHBondContact OD2-NE 3.09Å; D358-R361 IonicContact OD2-NH1 3.74Å; D358-R361 IonicContact OD2-NH2 3.56Å; D358-R361 PolarHBondContact OD2-NH2 3.17Å; L359-R361 PolarHBondContact O-N 3.48Å; R361-I363 VanDerWaalsContact C-N 3.33Å; R361-I363 HydrophobicContact CB-CG2 4.03Å; R361-I363 PolarHBondContact O-N 3.28Å; R361-Y364 WeakPolarHBondContact O-CE2 3.35Å
362P98Very high98Very high47 Ų4732.3 Ų32.331%0.30515%0.153SC..SBendtrans-79.278.8-179.729.4-30000111.4D30 E34D30-P362 HydrophobicContact CB-CB 3.74Å; D30-P362 WeakPolarHBondContact O-CB 3.33Å; D30-P362 VanDerWaalsContact OD1-C 3.23Å; D30-P362 VanDerWaalsContact OD1-CA 3.25Å; D30-P362 WeakPolarHBondContact OD1-CA 3.37Å; E34-P362 HydrophobicContact CB-CB 4.47Å; E34-P362 HydrophobicContact CB-CG 4.18Å; E34-P362 WeakPolarHBondContact OE2-CG 3.46Å
363I98.3Very high98.1Very high21 Ų2132.3 Ų32.311%0.10815%0.152CC..  trans-123.69.7-174.663.4165.4000113.2D30 R361 Q366 P381 W382D30-I363 PolarHBondContact OD1-N 2.99Å; D30-I363 VanDerWaalsContact OD1-N 3.14Å; R361-I363 VanDerWaalsContact C-N 3.33Å; R361-I363 HydrophobicContact CB-CG2 4.03Å; R361-I363 PolarHBondContact O-N 3.28Å; I363-Q366 VanDerWaalsContact O-CG 3.23Å; I363-Q366 WeakPolarHBondContact O-CG 3.41Å; I363-Q366 PolarHBondContact O-NE2 2.94Å; I363-P381 HydrophobicContact CD1-CG 4.23Å; I363-W382 HydrophobicContact CD1-CZ3 4.2Å
364Y98.7Very high98.1Very high1 Ų132.8 Ų32.80%0.00416%0.157CC..  trans-99-33.2-160.9-62.2-70.5000114.5L29 D30 L33 Y289 L359 R361 Q366 T367L29-Y364 HydrophobicContact CD2-CD2 3.49Å; L29-Y364 VanDerWaalsContact CD2-CD2 3.49Å; L29-Y364 HydrophobicContact CD2-CE2 4.1Å; L29-Y364 HydrophobicContact CD2-CG 3.77Å; L29-Y364 HydrophobicContact CG-CD2 4.04Å; D30-Y364 WeakPolarHBondContact OD1-CB 3.18Å; D30-Y364 WeakPolarHBondContact OD1-CD2 3.42Å; D30-Y364 PolarHBondContact OD1-N 3.02Å; D30-Y364 PolarHBondContact OD2-N 3.48Å; L33-Y364 HydrophobicContact CD1-CD2 3.84Å; L33-Y364 HydrophobicContact CD1-CE2 3.44Å; L33-Y364 VanDerWaalsContact CD1-CE2 3.44Å; Y289-Y364 HydrophobicContact CE2-CE1 4.11Å; L359-Y364 WeakPolarHBondContact CB-OH 3.49Å; L359-Y364 PolarHBondContact O-OH 3.17Å; R361-Y364 WeakPolarHBondContact O-CE2 3.35Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Y364-Q366 VanDerWaalsContact O-N 3.14Å; Y364-T367 WeakPolarHBondContact O-CA 3.48Å; Y364-T367 WeakPolarHBondContact O-CB 3.31Å; Y364-T367 PolarHBondContact O-N 3.46Å; Y364-T367 PolarHBondContact O-OG1 3.09Å
365R98.2Very high98.2Very high57 Ų5733.5 Ų33.522%0.21516%0.159CC..G310 helixtrans-57-36.2-177.1-174-178.8-179.7-147.9-18.9113.1D26 A27 D30 E76 T367 A368D26-R365 HydrophobicContact CB-CB 4.34Å; A27-R365 HydrophobicContact CB-CG 4.24Å; D30-R365 WeakPolarHBondContact OD2-CB 3.47Å; D30-R365 PolarHBondContact OD2-N 3.42Å; E76-R365 VanDerWaalsContact CD-NH1 3.32Å; E76-R365 VanDerWaalsContact CD-NH2 3.26Å; E76-R365 IonicContact OE1-CZ 2.85Å; E76-R365 IonicContact OE1-NH1 3.64Å; E76-R365 PolarHBondContact OE1-NH1 3.42Å; E76-R365 VanDerWaalsContact OE1-NH1 3.09Å; E76-R365 IonicContact OE1-NH2 2.6Å; E76-R365 IonicContact OE2-CZ 3.68Å; E76-R365 IonicContact OE2-NH1 3.9Å; E76-R365 PolarHBondContact OE2-NH1 2.98Å; E76-R365 IonicContact OE2-NH2 3.53Å; E76-R365 PolarHBondContact OE2-NH2 3.47Å; R365-T367 PolarHBondContact O-N 2.66Å; R365-A368 WeakPolarHBondContact O-CB 3.44Å; R365-A368 PolarHBondContact O-N 3.39Å
366Q97.8Very high98.1Very high75 Ų7532.4 Ų32.435%0.3516%0.162SC..G310 helixtrans-64.6-15.6175.759.8-179.8-11.900114.6I363 Y364 R375 I378I363-Q366 VanDerWaalsContact O-CG 3.23Å; I363-Q366 WeakPolarHBondContact O-CG 3.41Å; I363-Q366 PolarHBondContact O-NE2 2.94Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Y364-Q366 VanDerWaalsContact O-N 3.14Å; Q366-R375 PolarHBondContact O-NH1 3.12Å; Q366-I378 HydrophobicContact CB-CD1 4.02Å; Q366-I378 HydrophobicContact CG-CD1 3.75Å
367T98.6Very high97.9Very high0 Ų033.9 Ų33.90%017%0.171CC..G310 helixtrans-91.2-22.617972.50000112.8Y364 R365 A369 H372 L380 W382Y364-T367 WeakPolarHBondContact O-CA 3.48Å; Y364-T367 WeakPolarHBondContact O-CB 3.31Å; Y364-T367 PolarHBondContact O-N 3.46Å; Y364-T367 PolarHBondContact O-OG1 3.09Å; R365-T367 PolarHBondContact O-N 2.66Å; T367-A369 PolarHBondContact O-N 2.86Å; T367-H372 WeakPolarHBondContact CB-ND1 3.4Å; T367-H372 PolarHBondContact O-CD2 3.24Å; T367-H372 PolarHBondContact O-NE2 2.86Å; T367-H372 PolarHBondContact OG1-CE1 2.97Å; T367-H372 PolarHBondContact OG1-ND1 3.4Å; T367-L380 HydrophobicContact CG2-CD1 4.33Å; T367-L380 HydrophobicContact CG2-CD2 3.89Å; T367-W382 HydrophobicContact CG2-CH2 4.18Å; T367-W382 HydrophobicContact CG2-CZ2 4Å
368A98.7Very high97.8Very high0 Ų035.4 Ų35.40%018%0.178CC..SBendtrans-64.9-7.3-174.300000114.7K19 D22 Q23 D26 R365K19-A368 VanDerWaalsContact CD-O 3.23Å; K19-A368 WeakPolarHBondContact CD-O 3.23Å; K19-A368 VanDerWaalsContact CE-O 3.29Å; K19-A368 WeakPolarHBondContact CE-O 3.36Å; K19-A368 PolarHBondContact NZ-O 3.34Å; D22-A368 HydrophobicContact CB-CB 4.12Å; Q23-A368 HydrophobicContact CB-CB 4.21Å; Q23-A368 HydrophobicContact CG-CB 3.61Å; D26-A368 HydrophobicContact CB-CB 4.29Å; R365-A368 WeakPolarHBondContact O-CB 3.44Å; R365-A368 PolarHBondContact O-N 3.39Å
369A98.5Very high97.7Very high4 Ų437 Ų373%0.03319%0.187CC..SBendtrans-139.6157.1169.900000110.9E14 T367 G371 R375E14-A369 HydrophobicContact CB-CB 4.1Å; T367-A369 PolarHBondContact O-N 2.86Å; A369-G371 VanDerWaalsContact C-N 3.28Å; A369-G371 PolarHBondContact O-N 3.17Å; A369-R375 PolarHBondContact O-NH1 3.23Å
370Y98.6Very high97.7Very high19 Ų1937 Ų378%0.07519%0.187CC..SBendtrans67.520.9177.5-39.7-63.7000115.5E14 H154 V157 K158 A161 R375E14-Y370 HydrophobicContact CB-CE2 4.39Å; E14-Y370 WeakPolarHBondContact CB-OH 3.24Å; E14-Y370 WeakPolarHBondContact CG-OH 3.48Å; E14-Y370 PolarHBondContact OE2-OH 3.31Å; H154-Y370 PolarHBondContact CD2-O 2.95Å; V157-Y370 HydrophobicContact CG2-CD1 4.01Å; V157-Y370 HydrophobicContact CG2-CE1 4.24Å; K158-Y370 HydrophobicContact CB-CD1 3.76Å; K158-Y370 HydrophobicContact CB-CE1 3.98Å; K158-Y370 HydrophobicContact CB-CG 4.14Å; K158-Y370 HydrophobicContact CD-CD2 4.47Å; K158-Y370 HydrophobicContact CD-CG 4.44Å; A161-Y370 WeakPolarHBondContact CB-OH 3.37Å; Y370-R375 WeakPolarHBondContact O-CD 3.39Å
371G98.6Very high97.8Very high0 Ų033.9 Ų33.90%017%0.174CC..  trans85.8142.8178.100000112.9A369 R375A369-G371 VanDerWaalsContact C-N 3.28Å; A369-G371 PolarHBondContact O-N 3.17Å; G371-R375 WeakPolarHBondContact O-CD 3.2Å; G371-R375 VanDerWaalsContact O-CG 3.29Å; G371-R375 WeakPolarHBondContact O-CG 3.48Å; G371-R375 PolarHBondContact O-NH1 3.01Å
372H98.8Very high97.8Very high0 Ų029.6 Ų29.60%016%0.158CC..SBendtrans-81.4-20.4175.7-71.2-118.9000112.1D262 F275 Y289 T367 L380 W382D262-H372 PolarHBondContact O-N 3.06Å; D262-H372 IonicContact OD1-CD2 3.47Å; D262-H372 IonicContact OD1-NE2 3.18Å; F275-H372 VanDerWaalsContact CB-CE1 3.47Å; F275-H372 WeakPolarHBondContact CB-CE1 3.37Å; F275-H372 HydrophobicContact CD2-CB 4.27Å; F275-H372 AromaticContact CD2-CD2 3.67Å; F275-H372 AromaticContact CD2-CE1 3.67Å; F275-H372 AromaticContact CD2-CG 3.59Å; F275-H372 AromaticContact CD2-ND1 3.58Å; F275-H372 AromaticContact CD2-NE2 3.7Å; F275-H372 HydrophobicContact CE2-CB 4.36Å; Y289-H372 HydrophobicContact CE1-CB 4.09Å; Y289-H372 AromaticContact CE1-ND1 3.71Å; Y289-H372 AromaticContact CZ-ND1 3.63Å; Y289-H372 PolarHBondContact OH-CE1 3.43Å; Y289-H372 PolarHBondContact OH-ND1 3.05Å; T367-H372 WeakPolarHBondContact CB-ND1 3.4Å; T367-H372 PolarHBondContact O-CD2 3.24Å; T367-H372 PolarHBondContact O-NE2 2.86Å; T367-H372 PolarHBondContact OG1-CE1 2.97Å; T367-H372 PolarHBondContact OG1-ND1 3.4Å; H372-L380 WeakPolarHBondContact O-CD1 3.46Å; H372-W382 PolarHBondContact O-NE1 2.88Å
373M98.6Very high97.8Very high2 Ų228.2 Ų28.21%0.0115%0.147CC..SBendtrans-113.6149.5-172.7-40-51.3175.700111.2M146 T263 Y264 F275 Y289 R292 R375 E383M146-M373 HydrophobicContact CE-CB 3.85Å; M146-M373 HydrophobicContact SD-CB 3.8Å; T263-M373 HydrophobicContact CG2-CE 4.46Å; Y264-M373 HydrophobicContact CE1-CB 4.24Å; Y264-M373 HydrophobicContact CE1-CG 3.94Å; F275-M373 HydrophobicContact CE2-CE 3.98Å; F275-M373 HydrophobicContact CZ-CE 4.08Å; Y289-M373 HydrophobicContact CD1-CE 3.89Å; Y289-M373 HydrophobicContact CD1-SD 4.36Å; Y289-M373 HydrophobicContact CE1-CE 4.09Å; R292-M373 HydrophobicContact CB-SD 3.94Å; R292-M373 HydrophobicContact CG-CB 4.33Å; R292-M373 HydrophobicContact CG-CG 4.26Å; R292-M373 HydrophobicContact CG-SD 3.76Å; M373-R375 VanDerWaalsContact C-N 3.28Å; M373-R375 PolarHBondContact O-N 3.14Å; M373-E383 WeakPolarHBondContact CA-OE1 3.49Å
374G98.3Very high97.8Very high10 Ų1031.5 Ų31.510%0.10316%0.161CC..SBendtrans71.116.517600000115.7E144 E383E144-G374 WeakPolarHBondContact CB-O 3.32Å; E144-G374 WeakPolarHBondContact CG-O 3.4Å; G374-E383 WeakPolarHBondContact CA-OE2 3.24Å; G374-E383 PolarHBondContact N-OE1 3.34Å; G374-E383 PolarHBondContact N-OE2 3.1Å
375R97.5Very high97.8Very high25 Ų2535.1 Ų35.19%0.09418%0.18CC..  trans-75.8129177.1-63-68.9-63.7-75-5.3110.2Q366 A369 Y370 G371 M373 D377 I378 L380Q366-R375 PolarHBondContact O-NH1 3.12Å; A369-R375 PolarHBondContact O-NH1 3.23Å; Y370-R375 WeakPolarHBondContact O-CD 3.39Å; G371-R375 WeakPolarHBondContact O-CD 3.2Å; G371-R375 VanDerWaalsContact O-CG 3.29Å; G371-R375 WeakPolarHBondContact O-CG 3.48Å; G371-R375 PolarHBondContact O-NH1 3.01Å; M373-R375 VanDerWaalsContact C-N 3.28Å; M373-R375 PolarHBondContact O-N 3.14Å; R375-D377 IonicContact CZ-OD1 2.96Å; R375-D377 IonicContact CZ-OD2 2.7Å; R375-D377 IonicContact NE-OD1 2.75Å; R375-D377 PolarHBondContact NE-OD1 3.18Å; R375-D377 IonicContact NE-OD2 3.11Å; R375-D377 IonicContact NH2-OD1 3.91Å; R375-D377 PolarHBondContact NH2-OD1 3.18Å; R375-D377 IonicContact NH2-OD2 2.89Å; R375-D377 PolarHBondContact NH2-OD2 3.5Å; R375-I378 HydrophobicContact CB-CD1 4.19Å; R375-I378 HydrophobicContact CB-CG1 3.76Å; R375-I378 HydrophobicContact CG-CD1 4.33Å; R375-I378 HydrophobicContact CG-CG1 4.41Å; R375-L380 HydrophobicContact CB-CD1 4.02Å; R375-L380 HydrophobicContact CG-CD1 4.27Å
376T95.1Very high97.8Very high115 Ų11537.2 Ų37.271%0.70620%0.196SC*.SBendtrans-114.4-3.7176.962.50000112.7E144E144-T376 HydrophobicContact CB-CG2 4.02Å
377D94.7Very high97.8Very high79 Ų7936.1 Ų36.142%0.42219%0.189SC..SBendtrans-92.1-8.9179.359.7-50000113.2K158 R375K158-D377 WeakPolarHBondContact CE-OD2 3.26Å; R375-D377 IonicContact CZ-OD1 2.96Å; R375-D377 IonicContact CZ-OD2 2.7Å; R375-D377 IonicContact NE-OD1 2.75Å; R375-D377 PolarHBondContact NE-OD1 3.18Å; R375-D377 IonicContact NE-OD2 3.11Å; R375-D377 IonicContact NH2-OD1 3.91Å; R375-D377 PolarHBondContact NH2-OD1 3.18Å; R375-D377 IonicContact NH2-OD2 2.89Å; R375-D377 PolarHBondContact NH2-OD2 3.5Å
378I96.1Very high97.8Very high35 Ų3536.9 Ų36.918%0.17919%0.194CC..SBendtrans-138.8149.7179.854.2171.2000110.2Q366 R375 L380Q366-I378 HydrophobicContact CB-CD1 4.02Å; Q366-I378 HydrophobicContact CG-CD1 3.75Å; R375-I378 HydrophobicContact CB-CD1 4.19Å; R375-I378 HydrophobicContact CB-CG1 3.76Å; R375-I378 HydrophobicContact CG-CD1 4.33Å; R375-I378 HydrophobicContact CG-CG1 4.41Å; I378-L380 HydrophobicContact CD1-CD1 3.82Å; I378-L380 HydrophobicContact CD1-CD2 3.92Å; I378-L380 HydrophobicContact CD1-CG 3.93Å; I378-L380 HydrophobicContact CG1-CD1 4.13Å; I378-L380 HydrophobicContact CG1-CD2 4.38Å; I378-L380 HydrophobicContact CG1-CG 4Å; I378-L380 PolarHBondContact O-N 3.01Å
379D95.6Very high97.8Very high120 Ų12042.9 Ų42.964%0.64222%0.222SC*.  trans-88101.5179.7-17724.2000110.5K384D379-K384 WeakPolarHBondContact OD1-CE 3.47Å
380L98.2Very high97.8Very high3 Ų344.7 Ų44.72%0.01624%0.237CC..  trans-108.9126.7179.1-61.8177.4000110.5T367 H372 R375 I378 W382 E383T367-L380 HydrophobicContact CG2-CD1 4.33Å; T367-L380 HydrophobicContact CG2-CD2 3.89Å; H372-L380 WeakPolarHBondContact O-CD1 3.46Å; R375-L380 HydrophobicContact CB-CD1 4.02Å; R375-L380 HydrophobicContact CG-CD1 4.27Å; I378-L380 HydrophobicContact CD1-CD1 3.82Å; I378-L380 HydrophobicContact CD1-CD2 3.92Å; I378-L380 HydrophobicContact CD1-CG 3.93Å; I378-L380 HydrophobicContact CG1-CD1 4.13Å; I378-L380 HydrophobicContact CG1-CD2 4.38Å; I378-L380 HydrophobicContact CG1-CG 4Å; I378-L380 PolarHBondContact O-N 3.01Å; L380-W382 VanDerWaalsContact C-N 3.29Å; L380-W382 HydrophobicContact CB-CD2 4.19Å; L380-W382 HydrophobicContact CB-CH2 4.44Å; L380-W382 HydrophobicContact CB-CZ2 4.02Å; L380-W382 HydrophobicContact CD1-CZ2 3.7Å; L380-W382 HydrophobicContact CD2-CH2 3.81Å; L380-W382 HydrophobicContact CD2-CZ2 3.75Å; L380-W382 HydrophobicContact CG-CH2 4.49Å; L380-W382 HydrophobicContact CG-CZ2 4.02Å; L380-W382 PolarHBondContact O-N 3.47Å; L380-E383 HydrophobicContact CB-CB 4.32Å; L380-E383 HydrophobicContact CB-CG 4.08Å; L380-E383 HydrophobicContact CD1-CG 4.47Å; L380-E383 PolarHBondContact O-N 2.97Å
381P98.3Very high97.7Very high9 Ų943.8 Ų43.86%0.05823%0.233CC..G310 helixtrans-55-39.9-177.3-27.934.9000114.2L357 I363 E383 K384L357-P381 HydrophobicContact CB-CB 4.05Å; L357-P381 HydrophobicContact CD2-CB 4.1Å; L357-P381 WeakPolarHBondContact O-CB 3.36Å; L357-P381 WeakPolarHBondContact O-CG 3.36Å; I363-P381 HydrophobicContact CD1-CG 4.23Å; P381-E383 PolarHBondContact O-N 3.2Å; P381-K384 WeakPolarHBondContact O-CB 3.42Å; P381-K384 WeakPolarHBondContact O-CG 3.42Å; P381-K384 PolarHBondContact O-N 3.24Å
382W98.7Very high97.7Very high0 Ų047.3 Ų47.30%025%0.249CC..G310 helixtrans-75.6-7-179.355.488.6000114.5Y289 Y293 L357 L359 I363 T367 H372 L380Y289-W382 HydrophobicContact CD1-CD2 4.19Å; Y289-W382 HydrophobicContact CD1-CZ2 4.29Å; Y289-W382 AromaticContact CD2-CD2 3.73Å; Y289-W382 HydrophobicContact CD2-CD2 3.73Å; Y289-W382 AromaticContact CD2-CE3 3.37Å; Y289-W382 HydrophobicContact CD2-CE3 3.37Å; Y289-W382 AromaticContact CD2-CH2 3.64Å; Y289-W382 HydrophobicContact CD2-CH2 3.64Å; Y289-W382 AromaticContact CD2-CZ2 3.96Å; Y289-W382 HydrophobicContact CD2-CZ2 3.96Å; Y289-W382 AromaticContact CD2-CZ3 3.33Å; Y289-W382 HydrophobicContact CD2-CZ3 3.33Å; Y289-W382 HydrophobicContact CE1-CH2 4.46Å; Y289-W382 HydrophobicContact CE1-CZ2 4.01Å; Y289-W382 HydrophobicContact CE2-CD2 4.27Å; Y289-W382 AromaticContact CE2-CE3 3.92Å; Y289-W382 HydrophobicContact CE2-CE3 3.92Å; Y289-W382 AromaticContact CE2-CH2 3.22Å; Y289-W382 HydrophobicContact CE2-CH2 3.22Å; Y289-W382 AromaticContact CE2-CZ2 3.62Å; Y289-W382 HydrophobicContact CE2-CZ2 3.62Å; Y289-W382 AromaticContact CE2-CZ3 3.4Å; Y289-W382 HydrophobicContact CE2-CZ3 3.4Å; Y289-W382 AromaticContact CG-CD2 3.68Å; Y289-W382 HydrophobicContact CG-CD2 3.68Å; Y289-W382 AromaticContact CG-CE2 3.95Å; Y289-W382 AromaticContact CG-CE3 3.79Å; Y289-W382 HydrophobicContact CG-CE3 3.79Å; Y289-W382 HydrophobicContact CG-CG 4.12Å; Y289-W382 HydrophobicContact CG-CH2 4.39Å; Y289-W382 HydrophobicContact CG-CZ2 4.28Å; Y289-W382 HydrophobicContact CG-CZ3 4.16Å; Y289-W382 AromaticContact CZ-CH2 3.7Å; Y289-W382 AromaticContact CZ-CZ2 3.64Å; Y289-W382 WeakPolarHBondContact O-CB 3.32Å; Y293-W382 VanDerWaalsContact CA-O 3.32Å; Y293-W382 WeakPolarHBondContact CA-O 3.49Å; Y293-W382 WeakPolarHBondContact CD2-O 3.45Å; L357-W382 HydrophobicContact CD1-CB 4.26Å; L357-W382 HydrophobicContact CD2-CB 4.45Å; L359-W382 HydrophobicContact CD2-CE3 4.13Å; L359-W382 HydrophobicContact CD2-CZ3 3.86Å; I363-W382 HydrophobicContact CD1-CZ3 4.2Å; T367-W382 HydrophobicContact CG2-CH2 4.18Å; T367-W382 HydrophobicContact CG2-CZ2 4Å; H372-W382 PolarHBondContact O-NE1 2.88Å; L380-W382 VanDerWaalsContact C-N 3.29Å; L380-W382 HydrophobicContact CB-CD2 4.19Å; L380-W382 HydrophobicContact CB-CH2 4.44Å; L380-W382 HydrophobicContact CB-CZ2 4.02Å; L380-W382 HydrophobicContact CD1-CZ2 3.7Å; L380-W382 HydrophobicContact CD2-CH2 3.81Å; L380-W382 HydrophobicContact CD2-CZ2 3.75Å; L380-W382 HydrophobicContact CG-CH2 4.49Å; L380-W382 HydrophobicContact CG-CZ2 4.02Å; L380-W382 PolarHBondContact O-N 3.47Å
383E98.7Very high97.6Very high17 Ų1752.9 Ų52.98%0.07928%0.275CS..G310 helixtrans-93.2-1.1173.8-69.1-64.2141.700112.4R292 K296 M373 G374 L380 P381R292-E383 IonicContact CZ-OE1 2.96Å; R292-E383 IonicContact CZ-OE2 3.46Å; R292-E383 IonicContact NE-OE1 3.16Å; R292-E383 PolarHBondContact NE-OE1 3.36Å; R292-E383 IonicContact NE-OE2 3.61Å; R292-E383 IonicContact NH2-OE1 3.93Å; R292-E383 PolarHBondContact NH2-OE1 3.35Å; R292-E383 IonicContact NH2-OE2 2.76Å; R292-E383 PolarHBondContact NH2-OE2 2.89Å; K296-E383 WeakPolarHBondContact CD-OE2 3.41Å; K296-E383 WeakPolarHBondContact CE-O 3.5Å; K296-E383 WeakPolarHBondContact CE-OE2 3.37Å; K296-E383 PolarHBondContact NZ-O 3.11Å; K296-E383 IonicContact NZ-OE2 2.72Å; K296-E383 PolarHBondContact NZ-OE2 3.05Å; M373-E383 WeakPolarHBondContact CA-OE1 3.49Å; G374-E383 WeakPolarHBondContact CA-OE2 3.24Å; G374-E383 PolarHBondContact N-OE1 3.34Å; G374-E383 PolarHBondContact N-OE2 3.1Å; L380-E383 HydrophobicContact CB-CB 4.32Å; L380-E383 HydrophobicContact CB-CG 4.08Å; L380-E383 HydrophobicContact CD1-CG 4.47Å; L380-E383 PolarHBondContact O-N 2.97Å; P381-E383 PolarHBondContact O-N 3.2Å
384K98.2Very high97.6Very high90 Ų9053.6 Ų53.639%0.39128%0.281SS..  trans-73.3153.5179-64.7178.4179.6177.10112.2Y293 N297 D379 P381 D386Y293-K384 WeakPolarHBondContact CD2-O 3.21Å; Y293-K384 HydrophobicContact CE2-CB 4.09Å; Y293-K384 WeakPolarHBondContact CE2-O 3.37Å; N297-K384 PolarHBondContact ND2-O 2.86Å; D379-K384 WeakPolarHBondContact OD1-CE 3.47Å; P381-K384 WeakPolarHBondContact O-CB 3.42Å; P381-K384 WeakPolarHBondContact O-CG 3.42Å; P381-K384 PolarHBondContact O-N 3.24Å; K384-D386 VanDerWaalsContact CB-OD1 3.27Å; K384-D386 WeakPolarHBondContact CB-OD1 3.34Å
385L98.2Very high97.4Very high78 Ų7853.5 Ų53.541%0.40828%0.279SS..  trans-114.828.4179.9-63.5-179.1000112.1L145 K296 N297 A300 K387 V388L145-L385 HydrophobicContact CD1-CD2 4.42Å; K296-L385 HydrophobicContact CB-CD2 4.45Å; K296-L385 HydrophobicContact CD-CD2 3.96Å; K296-L385 HydrophobicContact CG-CD2 3.75Å; N297-L385 VanDerWaalsContact OD1-CA 3.3Å; N297-L385 WeakPolarHBondContact OD1-CA 3.33Å; A300-L385 HydrophobicContact CB-CD1 3.82Å; A300-L385 HydrophobicContact CB-CD2 3.49Å; A300-L385 VanDerWaalsContact CB-CD2 3.49Å; A300-L385 HydrophobicContact CB-CG 4.18Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 3.29Å; L385-V388 HydrophobicContact CB-CG2 4.12Å; L385-V388 WeakPolarHBondContact O-CG2 3.23Å
386D98Very high97Very high101 Ų10161 Ų6154%0.5431%0.312SS..THydrogen-bonded Turntrans-79.4-8.3-174.260.6-46.7000113.7Y293 K384Y293-D386 WeakPolarHBondContact CE2-OD1 3.32Å; Y293-D386 PolarHBondContact OH-OD1 2.88Å; Y293-D386 PolarHBondContact OH-OD2 2.87Å; K384-D386 VanDerWaalsContact CB-OD1 3.27Å; K384-D386 WeakPolarHBondContact CB-OD1 3.34Å
387K98.1Very high97.1Very high51 Ų5158.3 Ų58.322%0.22229%0.292CS..THydrogen-bonded Turntrans-98.51.7176.3-63.3-76.8-172.7158.10113.3Y293 N297 V345 F346 L385 E389 A390 L391Y293-K387 HydrophobicContact CE1-CG 3.83Å; Y293-K387 WeakPolarHBondContact OH-CG 3.38Å; N297-K387 HydrophobicContact CB-CB 4.36Å; N297-K387 WeakPolarHBondContact OD1-CA 3.28Å; N297-K387 WeakPolarHBondContact OD1-CB 3.36Å; N297-K387 PolarHBondContact OD1-N 2.85Å; V345-K387 HydrophobicContact CG1-CB 4.33Å; V345-K387 HydrophobicContact CG1-CD 3.84Å; V345-K387 PolarHBondContact O-NZ 2.92Å; F346-K387 HydrophobicContact CD1-CG 4.48Å; F346-K387 HydrophobicContact CE1-CB 3.8Å; F346-K387 HydrophobicContact CE1-CD 4.33Å; F346-K387 HydrophobicContact CE1-CG 3.68Å; F346-K387 HydrophobicContact CZ-CB 3.68Å; F346-K387 HydrophobicContact CZ-CG 4.09Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 3.29Å; K387-E389 PolarHBondContact O-N 3.34Å; K387-A390 PolarHBondContact O-N 3.29Å; K387-L391 WeakPolarHBondContact O-CB 3.44Å; K387-L391 PolarHBondContact O-N 3.46Å
388V98.4Very high97.2Very high17 Ų1757.2 Ų57.210%0.10329%0.285CS..Hα-helixtrans-56.1-49.8179.5166.10000112.1N297 A300 A301 L385 L391 K392N297-V388 PolarHBondContact OD1-N 3.14Å; A300-V388 HydrophobicContact CB-CG2 3.77Å; A301-V388 HydrophobicContact CB-CG1 3.97Å; L385-V388 HydrophobicContact CB-CG2 4.12Å; L385-V388 WeakPolarHBondContact O-CG2 3.23Å; V388-L391 PolarHBondContact O-N 3.45Å; V388-K392 HydrophobicContact CG1-CD 4.36Å; V388-K392 WeakPolarHBondContact O-CG 3.41Å; V388-K392 PolarHBondContact O-N 3.07Å
389E98.3Very high97.3Very high126 Ų12658.4 Ų58.459%0.58929%0.291SS*.Hα-helixtrans-72.8-35-177.9-64.3-55.7122.500112.4K387 K392 E393K387-E389 PolarHBondContact O-N 3.34Å; E389-K392 PolarHBondContact O-N 3.42Å; E389-K392 IonicContact OE1-NZ 3.8Å; E389-K392 PolarHBondContact OE1-NZ 2.79Å; E389-E393 PolarHBondContact O-N 3.4Å
390A98Very high97.4Very high41 Ų4154.8 Ų54.834%0.33927%0.27SS..Hα-helixtrans-63.4-43.3174.100000111.7V345 K387 K392 E393 A394V345-A390 HydrophobicContact CG1-CB 3.84Å; V345-A390 HydrophobicContact CG2-CB 4.33Å; K387-A390 PolarHBondContact O-N 3.29Å; A390-K392 VanDerWaalsContact C-N 3.34Å; A390-E393 PolarHBondContact O-N 2.95Å; A390-A394 PolarHBondContact O-N 3.16Å
391L97.8Very high97.3Very high0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-61.3-41.9172.1-84.6177.1000111.9N297 I298 F303 A341 V345 F346 K387 V388 E393 A394 V395N297-L391 HydrophobicContact CB-CD1 3.71Å; I298-L391 HydrophobicContact CG1-CD1 4.11Å; F303-L391 HydrophobicContact CE2-CB 4.16Å; A341-L391 HydrophobicContact CB-CD2 4.2Å; V345-L391 HydrophobicContact CB-CD2 4.47Å; V345-L391 HydrophobicContact CG1-CG 4.48Å; V345-L391 HydrophobicContact CG2-CD2 4.4Å; F346-L391 HydrophobicContact CE2-CD1 4.14Å; F346-L391 HydrophobicContact CE2-CD2 3.74Å; F346-L391 HydrophobicContact CE2-CG 3.94Å; F346-L391 HydrophobicContact CZ-CD1 4.07Å; F346-L391 HydrophobicContact CZ-CD2 4.45Å; F346-L391 HydrophobicContact CZ-CG 4.18Å; K387-L391 WeakPolarHBondContact O-CB 3.44Å; K387-L391 PolarHBondContact O-N 3.46Å; V388-L391 PolarHBondContact O-N 3.45Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-E393 PolarHBondContact O-N 3.14Å; L391-A394 PolarHBondContact O-N 3.49Å; L391-V395 WeakPolarHBondContact O-CB 3.35Å; L391-V395 VanDerWaalsContact O-CG2 3.23Å; L391-V395 WeakPolarHBondContact O-CG2 3.47Å; L391-V395 PolarHBondContact O-N 3.39Å
392K97.8Very high97.3Very high74 Ų7461.3 Ų61.332%0.32230%0.301SS..Hα-helixtrans-61-36.7175.8-74.6175.4-171.6165.70113.1A301 F303 V388 E389 A390 K396A301-K392 HydrophobicContact CB-CG 4.33Å; A301-K392 WeakPolarHBondContact O-CE 3.35Å; F303-K392 HydrophobicContact CE2-CG 4.25Å; F303-K392 HydrophobicContact CZ-CG 4.03Å; V388-K392 HydrophobicContact CG1-CD 4.36Å; V388-K392 WeakPolarHBondContact O-CG 3.41Å; V388-K392 PolarHBondContact O-N 3.07Å; E389-K392 PolarHBondContact O-N 3.42Å; E389-K392 IonicContact OE1-NZ 3.8Å; E389-K392 PolarHBondContact OE1-NZ 2.79Å; A390-K392 VanDerWaalsContact C-N 3.34Å; K392-K396 WeakPolarHBondContact O-CG 3.47Å
393E97.7Very high97.2Very high117 Ų11765.6 Ų65.655%0.54732%0.323SS..Hα-helixtrans-70.6-48.3176.2-167.959.9-150.500111.8E389 A390 L391 V395 K396E389-E393 PolarHBondContact O-N 3.4Å; A390-E393 PolarHBondContact O-N 2.95Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-E393 PolarHBondContact O-N 3.14Å; E393-V395 PolarHBondContact O-N 2.85Å; E393-K396 WeakPolarHBondContact O-CB 3.3Å; E393-K396 PolarHBondContact O-N 2.73Å; E393-K396 WeakPolarHBondContact OE2-CE 3.43Å; E393-K396 IonicContact OE2-NZ 3.52Å; E393-K396 PolarHBondContact OE2-NZ 2.82Å
394A97.3Very high97Very high17 Ų1769.4 Ų69.414%0.1434%0.342CS..Hα-helixtrans-65.4-21.7-179.400000113.8A341 V345 A390 L391A341-A394 HydrophobicContact CB-CB 3.71Å; V345-A394 HydrophobicContact CG2-CB 3.72Å; A390-A394 PolarHBondContact O-N 3.16Å; L391-A394 PolarHBondContact O-N 3.49Å
395V94.8Very high96.9Very high9 Ų967.7 Ų67.76%0.05534%0.338CS..THydrogen-bonded Turntrans-91.6-2.4176.4175.90000112.7F303 V333 K337 L338 A341 L391 E393F303-V395 HydrophobicContact CD1-CG1 4.17Å; F303-V395 HydrophobicContact CE1-CB 3.99Å; F303-V395 HydrophobicContact CE1-CG1 3.46Å; F303-V395 VanDerWaalsContact CE1-CG1 3.46Å; F303-V395 HydrophobicContact CE1-CG2 4.4Å; F303-V395 HydrophobicContact CE2-CB 4.24Å; F303-V395 HydrophobicContact CE2-CG1 4.49Å; F303-V395 HydrophobicContact CE2-CG2 4Å; F303-V395 HydrophobicContact CZ-CB 3.59Å; F303-V395 HydrophobicContact CZ-CG1 3.64Å; F303-V395 HydrophobicContact CZ-CG2 3.85Å; V333-V395 HydrophobicContact CB-CG1 4.2Å; V333-V395 HydrophobicContact CG1-CG1 3.86Å; V333-V395 HydrophobicContact CG2-CG1 3.89Å; K337-V395 HydrophobicContact CD-CG1 4.15Å; K337-V395 WeakPolarHBondContact CE-O 3.49Å; K337-V395 HydrophobicContact CG-CG1 4.42Å; K337-V395 PolarHBondContact NZ-O 2.99Å; L338-V395 HydrophobicContact CD2-CG2 4.08Å; A341-V395 HydrophobicContact CB-CG2 3.53Å; L391-V395 WeakPolarHBondContact O-CB 3.35Å; L391-V395 VanDerWaalsContact O-CG2 3.23Å; L391-V395 WeakPolarHBondContact O-CG2 3.47Å; L391-V395 PolarHBondContact O-N 3.39Å; E393-V395 PolarHBondContact O-N 2.85Å
396K88.9Confident96.8Very high181 Ų18166.7 Ų66.779%0.78733%0.331SS*.  trans-670169.2-73.9169.8-171.8170.80110.4K337 K392 E393K337-K396 PolarHBondContact NZ-O 3.44Å; K337-K396 PolarHBondContact NZ-OXT 3.2Å; K392-K396 WeakPolarHBondContact O-CG 3.47Å; E393-K396 WeakPolarHBondContact O-CB 3.3Å; E393-K396 PolarHBondContact O-N 2.73Å; E393-K396 WeakPolarHBondContact OE2-CE 3.43Å; E393-K396 IonicContact OE2-NZ 3.52Å; E393-K396 PolarHBondContact OE2-NZ 2.82Å

Retrieved 396 of 396 residues in 549.3 ms (Link to these results)

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