A0A023SGM0_DROME Loading...

Epoxide hydrolase

Catalyzes juvenile hormone hydrolysis.

AlphaFold DB , UniProt , Accession A0A023SGM0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Jheh3, Length 468 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
1M61.9Low75.6Confident192 Ų192113.8 Ų113.895%0.94661%0.607SS**  0-550-127.3164.36900113C3 L4 I5M1-C3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.28Å
2K66.5Low76.4Confident179 Ų179109.5 Ų109.578%0.77860%0.599SS**Hα-helixtrans-60-41.8-179.2-68.2-177.3177.7-179.20114.9L4 I5 V6K2-L4 PolarHBondContact O-N 3.44Å; K2-I5 PolarHBondContact O-N 3.47Å; K2-V6 WeakPolarHBondContact O-CG2 3.4Å; K2-V6 PolarHBondContact O-N 3.24Å
3C65.8Low77.2Confident110 Ų110110.7 Ų110.774%0.74360%0.603SS**Hα-helixtrans-65.9-34.5178.6-60.80000114M1 V6 F7M1-C3 PolarHBondContact O-N 3.14Å; C3-V6 PolarHBondContact O-N 3.44Å; C3-F7 VanDerWaalsContact O-CB 3.3Å; C3-F7 WeakPolarHBondContact O-CB 3.46Å; C3-F7 PolarHBondContact O-N 3.42Å
4L68.8Low78Confident134 Ų134112.9 Ų112.970%0.70261%0.605SS**Hα-helixtrans-68.5-36176.5-83.6156.6000111.7M1 K2 G8M1-L4 PolarHBondContact O-N 3.32Å; K2-L4 PolarHBondContact O-N 3.44Å; L4-G8 PolarHBondContact O-N 2.81Å
5I77.2Confident78.7Confident98 Ų98108 Ų10850%0.50359%0.592SS.*Hα-helixtrans-68.7-45.4175.6-64.1168.4000110.4M1 K2 G8 L9M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.28Å; K2-I5 PolarHBondContact O-N 3.47Å; I5-G8 PolarHBondContact O-N 2.54Å; I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 2.88Å
6V78.1Confident79.2Confident83 Ų83105.2 Ų105.250%0.50359%0.587SS.*Hα-helixtrans-63-44.5176.91740000111.3K2 C3 L9 I10K2-V6 WeakPolarHBondContact O-CG2 3.4Å; K2-V6 PolarHBondContact O-N 3.24Å; C3-V6 PolarHBondContact O-N 3.44Å; V6-L9 PolarHBondContact O-N 2.81Å; V6-I10 HydrophobicContact CG1-CD1 4.03Å; V6-I10 WeakPolarHBondContact O-CG1 3.23Å; V6-I10 PolarHBondContact O-N 3.23Å
7F77.6Confident79.8Confident139 Ų139107.9 Ų107.961%0.6159%0.592SS**Hα-helixtrans-61-45.3174.3179.4-101.5000111.8C3 L9 I10 V11C3-F7 VanDerWaalsContact O-CB 3.3Å; C3-F7 WeakPolarHBondContact O-CB 3.46Å; C3-F7 PolarHBondContact O-N 3.42Å; F7-L9 VanDerWaalsContact C-N 3.32Å; F7-L9 PolarHBondContact O-N 2.73Å; F7-I10 PolarHBondContact O-N 2.94Å; F7-V11 HydrophobicContact CD1-CG2 4.25Å; F7-V11 HydrophobicContact CE1-CG2 3.85Å; F7-V11 HydrophobicContact CE2-CG2 4.13Å; F7-V11 HydrophobicContact CZ-CG2 3.78Å; F7-V11 WeakPolarHBondContact O-CG2 3.47Å; F7-V11 PolarHBondContact O-N 3.31Å
8G81.3Confident80.4Confident36 Ų36106.1 Ų106.137%0.37158%0.584SS.*Hα-helixtrans-59.5-39.5175.300000113.1L4 I5 A12L4-G8 PolarHBondContact O-N 2.81Å; I5-G8 PolarHBondContact O-N 2.54Å; G8-A12 VanDerWaalsContact O-CB 3.27Å; G8-A12 WeakPolarHBondContact O-CB 3.24Å; G8-A12 PolarHBondContact O-N 3.01Å
9L82Confident80.7Confident102 Ų102102.3 Ų102.353%0.53457%0.572SS.*Hα-helixtrans-67-41.4174.7-73.6170.6000112.4I5 V6 F7 A12 L13I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.48Å; I5-L9 PolarHBondContact O-N 2.88Å; V6-L9 PolarHBondContact O-N 2.81Å; F7-L9 VanDerWaalsContact C-N 3.32Å; F7-L9 PolarHBondContact O-N 2.73Å; L9-A12 PolarHBondContact O-N 3.38Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.86Å
10I85.4Confident81.1Confident103 Ų103105.5 Ų105.553%0.52858%0.576SS.*Hα-helixtrans-62.6-45.9175.9-69.2167.3000110.5V6 F7 A12 L13 F14V6-I10 HydrophobicContact CG1-CD1 4.03Å; V6-I10 WeakPolarHBondContact O-CG1 3.23Å; V6-I10 PolarHBondContact O-N 3.23Å; F7-I10 PolarHBondContact O-N 2.94Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.34Å; I10-L13 PolarHBondContact O-N 2.83Å; I10-F14 VanDerWaalsContact O-CB 3.31Å; I10-F14 WeakPolarHBondContact O-CB 3.39Å; I10-F14 PolarHBondContact O-N 2.58Å
11V87.3Confident81.4Confident76 Ų76102.2 Ų102.246%0.46157%0.566SS.*Hα-helixtrans-63.1-41.8177.1173.50000111F7 F14 G15F7-V11 HydrophobicContact CD1-CG2 4.25Å; F7-V11 HydrophobicContact CE1-CG2 3.85Å; F7-V11 HydrophobicContact CE2-CG2 4.13Å; F7-V11 HydrophobicContact CZ-CG2 3.78Å; F7-V11 WeakPolarHBondContact O-CG2 3.47Å; F7-V11 PolarHBondContact O-N 3.31Å; V11-F14 PolarHBondContact O-N 2.71Å; V11-G15 PolarHBondContact O-N 2.85Å
12A85.4Confident82.6Confident62 Ų62100.6 Ų100.651%0.51255%0.551SS.*Hα-helixtrans-65.1-43.317700000112.4G8 L9 I10 G15 A16G8-A12 VanDerWaalsContact O-CB 3.27Å; G8-A12 WeakPolarHBondContact O-CB 3.24Å; G8-A12 PolarHBondContact O-N 3.01Å; L9-A12 PolarHBondContact O-N 3.38Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.34Å; A12-G15 PolarHBondContact O-N 3.06Å; A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 3.32Å
13L86.3Confident83.6Confident125 Ų12595.6 Ų95.665%0.65454%0.535SS*.Hα-helixtrans-65.7-41.9176.3-73.6171.8000111.8L9 I10 A16 F17L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.86Å; I10-L13 PolarHBondContact O-N 2.83Å; L13-A16 PolarHBondContact O-N 3.44Å; L13-F17 WeakPolarHBondContact O-CB 3.21Å; L13-F17 PolarHBondContact O-N 3.33Å
14F89.1Confident84.5Confident141 Ų14192.8 Ų92.862%0.61852%0.515SS*.Hα-helixtrans-63.3-44.9174.1-177.8-103000111.3I10 V11 A16 F17 V18I10-F14 VanDerWaalsContact O-CB 3.31Å; I10-F14 WeakPolarHBondContact O-CB 3.39Å; I10-F14 PolarHBondContact O-N 2.58Å; V11-F14 PolarHBondContact O-N 2.71Å; F14-A16 PolarHBondContact O-N 3.39Å; F14-F17 PolarHBondContact O-N 3.4Å; F14-V18 HydrophobicContact CD1-CG2 4.15Å; F14-V18 HydrophobicContact CD2-CG2 4.45Å; F14-V18 HydrophobicContact CE1-CG2 3.76Å; F14-V18 HydrophobicContact CE2-CG2 4.07Å; F14-V18 HydrophobicContact CG-CG2 4.49Å; F14-V18 HydrophobicContact CZ-CG2 3.71Å; F14-V18 WeakPolarHBondContact O-CB 3.16Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.23Å
15G88.6Confident85.4Confident40 Ų4091.1 Ų91.141%0.41250%0.502SS..Hα-helixtrans-60.4-42.1174.900000112.7V11 A12 G19V11-G15 PolarHBondContact O-N 2.85Å; A12-G15 PolarHBondContact O-N 3.06Å; G15-G19 PolarHBondContact O-N 2.91Å
16A86.6Confident85.9Confident63 Ų6388.7 Ų88.752%0.52149%0.491SS..Hα-helixtrans-65.5-41175.100000112.1A12 L13 F14 G19 Y20A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 3.32Å; L13-A16 PolarHBondContact O-N 3.44Å; F14-A16 PolarHBondContact O-N 3.39Å; A16-G19 PolarHBondContact O-N 2.85Å; A16-Y20 VanDerWaalsContact O-CB 3.28Å; A16-Y20 WeakPolarHBondContact O-CB 3.43Å; A16-Y20 PolarHBondContact O-N 3.24Å
17F88.6Confident86.4Confident151 Ų15188.4 Ų88.466%0.66249%0.487SS*.Hα-helixtrans-63.9-46.5175.8178.4-98.8000111.9L13 F14 Y20 G21L13-F17 WeakPolarHBondContact O-CB 3.21Å; L13-F17 PolarHBondContact O-N 3.33Å; F14-F17 PolarHBondContact O-N 3.4Å; F17-Y20 PolarHBondContact O-N 3.21Å; F17-G21 PolarHBondContact O-N 3.02Å
18V90.3Very high86.7Confident76 Ų7685.8 Ų85.846%0.46148%0.479SS..Hα-helixtrans-63.6-43.5175.5171.90000110.8F14 G21 Y22F14-V18 HydrophobicContact CD1-CG2 4.15Å; F14-V18 HydrophobicContact CD2-CG2 4.45Å; F14-V18 HydrophobicContact CE1-CG2 3.76Å; F14-V18 HydrophobicContact CE2-CG2 4.07Å; F14-V18 HydrophobicContact CG-CG2 4.49Å; F14-V18 HydrophobicContact CZ-CG2 3.71Å; F14-V18 WeakPolarHBondContact O-CB 3.16Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.23Å; V18-G21 PolarHBondContact O-N 3.03Å; V18-Y22 WeakPolarHBondContact O-CB 3.35Å; V18-Y22 PolarHBondContact O-N 3.49Å
19G86.9Confident87.1Confident34 Ų3485.3 Ų85.335%0.35147%0.469SS..Hα-helixtrans-62.3-45.517700000112.5G15 A16 Y22 V23G15-G19 PolarHBondContact O-N 2.91Å; A16-G19 PolarHBondContact O-N 2.85Å; G19-Y22 WeakPolarHBondContact O-CB 3.21Å; G19-Y22 PolarHBondContact O-N 3.5Å; G19-V23 WeakPolarHBondContact O-CG2 3.47Å; G19-V23 PolarHBondContact O-N 3.1Å
20Y87.6Confident87.6Confident166 Ų16685 Ų8565%0.65146%0.463SS*.Hα-helixtrans-62.2-45.3174.2179.1-102.8000111.5A16 F17 Y22 V23 V24A16-Y20 VanDerWaalsContact O-CB 3.28Å; A16-Y20 WeakPolarHBondContact O-CB 3.43Å; A16-Y20 PolarHBondContact O-N 3.24Å; F17-Y20 PolarHBondContact O-N 3.21Å; Y20-Y22 VanDerWaalsContact C-N 3.29Å; Y20-Y22 PolarHBondContact O-N 3.24Å; Y20-V23 PolarHBondContact O-N 3.42Å; Y20-V24 HydrophobicContact CD1-CG2 4.18Å; Y20-V24 HydrophobicContact CD2-CG2 4.4Å; Y20-V24 HydrophobicContact CE1-CG2 3.73Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 HydrophobicContact CG-CG2 4.49Å; Y20-V24 WeakPolarHBondContact O-CG2 3.34Å; Y20-V24 PolarHBondContact O-N 3.23Å
21G87.3Confident88Confident36 Ų3683.5 Ų83.537%0.37146%0.46SS..Hα-helixtrans-57.8-40.7174.400000112.6F17 V18 F25F17-G21 PolarHBondContact O-N 3.02Å; V18-G21 PolarHBondContact O-N 3.03Å; G21-F25 WeakPolarHBondContact O-CB 3.2Å; G21-F25 PolarHBondContact O-N 2.73Å
22Y87.6Confident88.4Confident158 Ų15881.9 Ų81.962%0.6245%0.449SS*.Hα-helixtrans-65-43175.4176.9-99.7000112.5V18 G19 Y20 F25 T26V18-Y22 WeakPolarHBondContact O-CB 3.35Å; V18-Y22 PolarHBondContact O-N 3.49Å; G19-Y22 WeakPolarHBondContact O-CB 3.21Å; G19-Y22 PolarHBondContact O-N 3.5Å; Y20-Y22 VanDerWaalsContact C-N 3.29Å; Y20-Y22 PolarHBondContact O-N 3.24Å; Y22-F25 PolarHBondContact O-N 3.08Å; Y22-T26 VanDerWaalsContact O-CB 3.3Å; Y22-T26 WeakPolarHBondContact O-CB 3.45Å; Y22-T26 PolarHBondContact O-N 2.82Å; Y22-T26 PolarHBondContact O-OG1 2.87Å
23V87.1Confident88.9Confident75 Ų7584.2 Ų84.246%0.45546%0.459SS..Hα-helixtrans-62.6-50.2176.4171.40000110.7G19 Y20 F25 T26 D27G19-V23 WeakPolarHBondContact O-CG2 3.47Å; G19-V23 PolarHBondContact O-N 3.1Å; Y20-V23 PolarHBondContact O-N 3.42Å; V23-F25 VanDerWaalsContact C-N 3.34Å; V23-F25 PolarHBondContact O-N 2.88Å; V23-T26 PolarHBondContact O-N 2.9Å; V23-D27 WeakPolarHBondContact O-CB 3.45Å; V23-D27 PolarHBondContact O-N 3.1Å
24V86.2Confident89.3Confident51 Ų5183.8 Ų83.831%0.30945%0.451SS..Hα-helixtrans-59.5-45.5177.8172.60000111Y20 T26 D27 L28Y20-V24 HydrophobicContact CD1-CG2 4.18Å; Y20-V24 HydrophobicContact CD2-CG2 4.4Å; Y20-V24 HydrophobicContact CE1-CG2 3.73Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 HydrophobicContact CG-CG2 4.49Å; Y20-V24 WeakPolarHBondContact O-CG2 3.34Å; Y20-V24 PolarHBondContact O-N 3.23Å; V24-T26 PolarHBondContact O-N 2.86Å; V24-D27 PolarHBondContact O-N 3Å; V24-L28 HydrophobicContact CG1-CD1 3.72Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.24Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.18Å
25F87.2Confident89.5Confident99 Ų9978.5 Ų78.543%0.43443%0.432SS..Hα-helixtrans-59.3-47.8176.3176.9-94.4000111.4G21 Y22 V23 D27 L28 T29 L270G21-F25 WeakPolarHBondContact O-CB 3.2Å; G21-F25 PolarHBondContact O-N 2.73Å; Y22-F25 PolarHBondContact O-N 3.08Å; V23-F25 VanDerWaalsContact C-N 3.34Å; V23-F25 PolarHBondContact O-N 2.88Å; F25-D27 VanDerWaalsContact C-N 3.35Å; F25-D27 PolarHBondContact O-N 2.76Å; F25-L28 PolarHBondContact O-N 3.12Å; F25-T29 HydrophobicContact CD2-CG2 4.08Å; F25-T29 HydrophobicContact CE1-CG2 4.31Å; F25-T29 HydrophobicContact CE2-CG2 3.81Å; F25-T29 HydrophobicContact CG-CG2 4.45Å; F25-T29 HydrophobicContact CZ-CG2 3.93Å; F25-T29 WeakPolarHBondContact O-CB 2.99Å; F25-T29 VanDerWaalsContact O-CG2 3.25Å; F25-T29 WeakPolarHBondContact O-CG2 3.21Å; F25-T29 PolarHBondContact O-N 2.94Å; F25-T29 PolarHBondContact O-OG1 2.91Å; F25-L270 HydrophobicContact CD2-CD1 4.29Å; F25-L270 HydrophobicContact CE2-CD1 3.77Å
26T87.7Confident89.5Confident46 Ų4686 Ų8628%0.28246%0.456SS..Hα-helixtrans-62.1-43.8179.9-56.50000110.9Y22 V23 V24 L28 T29 K30Y22-T26 VanDerWaalsContact O-CB 3.3Å; Y22-T26 WeakPolarHBondContact O-CB 3.45Å; Y22-T26 PolarHBondContact O-N 2.82Å; Y22-T26 PolarHBondContact O-OG1 2.87Å; V23-T26 PolarHBondContact O-N 2.9Å; V24-T26 PolarHBondContact O-N 2.86Å; T26-L28 PolarHBondContact O-N 2.9Å; T26-T29 PolarHBondContact O-N 2.9Å; T26-K30 VanDerWaalsContact O-CB 3.27Å; T26-K30 WeakPolarHBondContact O-CB 3.35Å; T26-K30 WeakPolarHBondContact O-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.27Å
27D87.7Confident89.6Confident77 Ų7785.1 Ų85.141%0.41244%0.44SS..Hα-helixtrans-67.7-33.3179.1-79.8-23.8000113.3V23 V24 F25 K30 R397V23-D27 WeakPolarHBondContact O-CB 3.45Å; V23-D27 PolarHBondContact O-N 3.1Å; V24-D27 PolarHBondContact O-N 3Å; F25-D27 VanDerWaalsContact C-N 3.35Å; F25-D27 PolarHBondContact O-N 2.76Å; D27-K30 WeakPolarHBondContact OD1-CE 3.38Å; D27-K30 IonicContact OD1-NZ 2.89Å; D27-K30 PolarHBondContact OD1-NZ 3.32Å; D27-R397 PolarHBondContact O-NH2 2.81Å
28L85.4Confident89.6Confident85 Ų8585.4 Ų85.445%0.44544%0.441SS..Hα-helixtrans-77.3-24.7176.5-71.5173.4000113.4V24 F25 T26 P266 R397V24-L28 HydrophobicContact CG1-CD1 3.72Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.24Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.18Å; F25-L28 PolarHBondContact O-N 3.12Å; T26-L28 PolarHBondContact O-N 2.9Å; L28-P266 HydrophobicContact CB-CB 4.41Å; L28-R397 PolarHBondContact O-NH2 2.82Å
29T89Confident89.6Confident26 Ų2684.8 Ų84.816%0.1644%0.435CS..Hα-helixtrans-110.2-17.2-170.760.90000114.3F25 T26 L267F25-T29 HydrophobicContact CD2-CG2 4.08Å; F25-T29 HydrophobicContact CE1-CG2 4.31Å; F25-T29 HydrophobicContact CE2-CG2 3.81Å; F25-T29 HydrophobicContact CG-CG2 4.45Å; F25-T29 HydrophobicContact CZ-CG2 3.93Å; F25-T29 WeakPolarHBondContact O-CB 2.99Å; F25-T29 VanDerWaalsContact O-CG2 3.25Å; F25-T29 WeakPolarHBondContact O-CG2 3.21Å; F25-T29 PolarHBondContact O-N 2.94Å; F25-T29 PolarHBondContact O-OG1 2.91Å; T26-T29 PolarHBondContact O-N 2.9Å; T29-L267 HydrophobicContact CG2-CB 3.88Å; T29-L267 HydrophobicContact CG2-CD1 3.98Å; T29-L267 HydrophobicContact CG2-CG 4.41Å
30K91.5Very high89.7Confident95 Ų9589 Ų8941%0.41345%0.45SS..SBendtrans-64.2142.6176.870.4-171.6-176-1650111.6T26 D27 R397T26-K30 VanDerWaalsContact O-CB 3.27Å; T26-K30 WeakPolarHBondContact O-CB 3.35Å; T26-K30 WeakPolarHBondContact O-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.27Å; D27-K30 WeakPolarHBondContact OD1-CE 3.38Å; D27-K30 IonicContact OD1-NZ 2.89Å; D27-K30 PolarHBondContact OD1-NZ 3.32Å; K30-R397 PolarHBondContact O-NH2 3.46Å
31P94.1Very high90.1Very high71 Ų7183 Ų8346%0.46143%0.431SS..  trans-57.1148.7167.3-24.334.5000111.6R397 Q399P31-R397 CarbonylContact C-O 3.57Å; P31-R397 VanDerWaalsContact CA-O 3.28Å; P31-R397 WeakPolarHBondContact CA-O 3.32Å; P31-Q399 HydrophobicContact CB-CG 4.11Å; P31-Q399 HydrophobicContact CG-CG 4.35Å
32L95.9Very high90.5Very high43 Ų4382.8 Ų82.823%0.22542%0.419CS..BIsolated β-bridgetrans-104.9151.9176.3-64.9-177.3000110.9Q394 R397 V398L32-Q394 HydrophobicContact CD1-CB 3.69Å; L32-Q394 HydrophobicContact CD1-CG 4.28Å; L32-R397 HydrophobicContact CB-CB 4.35Å; L32-R397 HydrophobicContact CD1-CB 4.02Å; L32-R397 HydrophobicContact CG-CB 3.98Å; L32-R397 PolarHBondContact N-O 3.42Å; L32-V398 HydrophobicContact CB-CG2 4.25Å
33P95.4Very high91Very high110 Ų11075.8 Ų75.871%0.71439%0.391SS*.PPolyproline II helixtrans-66.4158.4170.530.9-35.5000110.6V398P33-V398 WeakPolarHBondContact O-CG2 3.37Å
34K95.3Very high91.4Very high116 Ų11672.2 Ų72.250%0.50437%0.37SS..PPolyproline II helixtrans-56127.3170.8-169.417793.3164.10109.4L248 V398K34-L248 HydrophobicContact CG-CD2 4.47Å; K34-L248 PolarHBondContact NZ-O 3.17Å; K34-V398 HydrophobicContact CB-CG1 4.3Å
35P93.5Very high91.7Very high31 Ų3173.9 Ų73.920%0.20138%0.381CS..PPolyproline II helixtrans-68157.5178.928.9-35.5000111F37 L248 L393 L395P35-F37 PolarHBondContact O-N 3.2Å; P35-L248 HydrophobicContact CG-CD2 4.5Å; P35-L393 HydrophobicContact CB-CD2 4.39Å; P35-L393 HydrophobicContact CG-CD2 4.34Å; P35-L395 HydrophobicContact CG-CD2 3.78Å
36E88.9Confident91.9Very high198 Ų19872 Ų7293%0.92539%0.391SS*.PPolyproline II helixtrans-67.5128.9161.3-67.7-174.5178.400108.6
37F88.3Confident91.9Very high44 Ų4473.9 Ų73.919%0.19340%0.399CS..  trans-143.6130.7-173.7-172.1-92.7000108.9P35 A212 E213 T216 L248 L393P35-F37 PolarHBondContact O-N 3.2Å; F37-A212 HydrophobicContact CD2-CB 4.36Å; F37-A212 HydrophobicContact CE2-CB 3.49Å; F37-A212 VanDerWaalsContact CE2-CB 3.49Å; F37-A212 HydrophobicContact CZ-CB 3.63Å; F37-E213 VanDerWaalsContact CZ-CD 3.45Å; F37-E213 HydrophobicContact CZ-CG 4.25Å; F37-E213 WeakPolarHBondContact CZ-OE1 3.32Å; F37-T216 VanDerWaalsContact CE1-OG1 3.27Å; F37-T216 WeakPolarHBondContact CE1-OG1 3.34Å; F37-L248 HydrophobicContact CB-CD2 4.31Å; F37-L248 HydrophobicContact CD1-CD1 4.4Å; F37-L248 HydrophobicContact CG-CD2 4.4Å; F37-L393 HydrophobicContact CD2-CD1 4.23Å; F37-L393 HydrophobicContact CD2-CD2 4.17Å; F37-L393 HydrophobicContact CE2-CD1 4.05Å
38K88.7Confident92Very high157 Ų15772.7 Ų72.768%0.68340%0.4SS*.  trans-86.1125.7178.2-68-174.5177.9-175.30109.1
39D89.8Confident92.2Very high62 Ų6277.1 Ų77.133%0.33242%0.415SS..SBendtrans-105.411.1-17470.5-22.5000114.2T216 R219 N220 Y249D39-T216 HydrophobicContact CB-CG2 3.72Å; D39-T216 VanDerWaalsContact O-CG2 3.24Å; D39-T216 WeakPolarHBondContact O-CG2 3.47Å; D39-R219 IonicContact OD2-CZ 2.57Å; D39-R219 IonicContact OD2-NH1 3.85Å; D39-R219 PolarHBondContact OD2-NH1 2.96Å; D39-N220 PolarHBondContact O-ND2 2.84Å; D39-Y249 HydrophobicContact CB-CE1 4.26Å; D39-Y249 WeakPolarHBondContact CB-OH 3.35Å
40D90.6Very high92.2Very high122 Ų12282.3 Ų82.365%0.65244%0.442SS*.  trans-12110.1-173.366.8-17.3000114.2Y42D40-Y42 PolarHBondContact O-N 2.79Å
41T94.8Very high92.1Very high41 Ų4180.3 Ų80.325%0.25243%0.433SS..  trans-59.5128.9-176.4-52.70000111.9W43 Q133T41-W43 HydrophobicContact CG2-CD2 4.12Å; T41-W43 HydrophobicContact CG2-CH2 3.87Å; T41-W43 HydrophobicContact CG2-CZ2 3.35Å; T41-W43 HydrophobicContact CG2-CZ3 4.45Å; T41-W43 PolarHBondContact O-NE1 2.66Å; T41-Q133 WeakPolarHBondContact O-CB 3.44Å; T41-Q133 WeakPolarHBondContact O-CG 3.35Å; T41-Q133 PolarHBondContact O-NE2 3.13Å
42Y96.4Very high91.8Very high32 Ų3282.8 Ų82.813%0.12545%0.447CS..  trans-79.2134.6174.2-178.6-108.1000111.3D40 G44 P45 A48 F51 R206D40-Y42 PolarHBondContact O-N 2.79Å; Y42-G44 WeakPolarHBondContact CE1-O 3.36Å; Y42-P45 WeakPolarHBondContact CE1-O 3.07Å; Y42-P45 PolarHBondContact OH-O 3.14Å; Y42-A48 HydrophobicContact CD1-CB 3.7Å; Y42-A48 HydrophobicContact CG-CB 3.79Å; Y42-F51 HydrophobicContact CD2-CB 4.37Å; Y42-F51 AromaticContact CD2-CD1 3.69Å; Y42-F51 HydrophobicContact CD2-CD1 3.69Å; Y42-F51 HydrophobicContact CD2-CD2 4.37Å; Y42-F51 AromaticContact CD2-CE1 3.94Å; Y42-F51 HydrophobicContact CD2-CE1 3.94Å; Y42-F51 AromaticContact CD2-CG 3.89Å; Y42-F51 HydrophobicContact CD2-CG 3.89Å; Y42-F51 HydrophobicContact CD2-CZ 4.37Å; Y42-F51 HydrophobicContact CE2-CB 3.84Å; Y42-F51 AromaticContact CE2-CD1 3.51Å; Y42-F51 HydrophobicContact CE2-CD1 3.51Å; Y42-F51 AromaticContact CE2-CD2 3.37Å; Y42-F51 HydrophobicContact CE2-CD2 3.37Å; Y42-F51 AromaticContact CE2-CE1 3.77Å; Y42-F51 HydrophobicContact CE2-CE1 3.77Å; Y42-F51 AromaticContact CE2-CE2 3.65Å; Y42-F51 HydrophobicContact CE2-CE2 3.65Å; Y42-F51 AromaticContact CE2-CG 3.26Å; Y42-F51 HydrophobicContact CE2-CG 3.26Å; Y42-F51 AromaticContact CE2-CZ 3.81Å; Y42-F51 HydrophobicContact CE2-CZ 3.81Å; Y42-F51 AromaticContact CZ-CD2 3.81Å; Y42-F51 AromaticContact CZ-CG 3.86Å; Y42-R206 VanDerWaalsContact CD1-NH1 3.27Å; Y42-R206 PolarHBondContact O-NH1 2.93Å
43W97.4Very high91.5Very high10 Ų1084.4 Ų84.44%0.03846%0.46CS..  trans-122.5-15.8-175.4-63.7115.8000114.4T41 Q133 L135 A204 T205 R206 F209 E213T41-W43 HydrophobicContact CG2-CD2 4.12Å; T41-W43 HydrophobicContact CG2-CH2 3.87Å; T41-W43 HydrophobicContact CG2-CZ2 3.35Å; T41-W43 HydrophobicContact CG2-CZ3 4.45Å; T41-W43 PolarHBondContact O-NE1 2.66Å; W43-Q133 PolarHBondContact N-O 3.05Å; W43-L135 HydrophobicContact CB-CD1 3.56Å; W43-L135 HydrophobicContact CB-CD2 4.18Å; W43-L135 HydrophobicContact CB-CG 3.82Å; W43-L135 HydrophobicContact CG-CD1 4.41Å; W43-A204 HydrophobicContact CB-CB 4.48Å; W43-A204 HydrophobicContact CE3-CB 4.32Å; W43-T205 PolarHBondContact O-N 2.93Å; W43-T205 VanDerWaalsContact O-N 3.1Å; W43-T205 PolarHBondContact O-OG1 3.11Å; W43-R206 HydrophobicContact CE3-CG 3.7Å; W43-R206 HydrophobicContact CZ3-CG 3.85Å; W43-R206 PolarHBondContact O-NH1 2.92Å; W43-F209 HydrophobicContact CB-CD2 4.18Å; W43-F209 HydrophobicContact CB-CE2 4.28Å; W43-F209 AromaticContact CD1-CD2 3.74Å; W43-F209 AromaticContact CD1-CE2 3.51Å; W43-F209 AromaticContact CD2-CD2 3.42Å; W43-F209 HydrophobicContact CD2-CD2 3.42Å; W43-F209 VanDerWaalsContact CD2-CD2 3.42Å; W43-F209 HydrophobicContact CD2-CE2 4.03Å; W43-F209 HydrophobicContact CD2-CG 4.48Å; W43-F209 AromaticContact CE2-CD2 3.6Å; W43-F209 HydrophobicContact CE3-CB 4.24Å; W43-F209 AromaticContact CE3-CD2 3.85Å; W43-F209 HydrophobicContact CE3-CD2 3.85Å; W43-F209 AromaticContact CG-CD2 3.53Å; W43-F209 HydrophobicContact CG-CD2 3.53Å; W43-F209 AromaticContact CG-CE2 3.69Å; W43-F209 HydrophobicContact CG-CE2 3.69Å; W43-F209 HydrophobicContact CH2-CB 4.48Å; W43-F209 HydrophobicContact CZ2-CD2 4.23Å; W43-F209 HydrophobicContact CZ3-CB 4.16Å; W43-F209 HydrophobicContact CZ3-CD2 4.41Å; W43-F209 AromaticContact NE1-CD2 3.76Å; W43-F209 AromaticContact NE1-CE2 3.72Å; W43-E213 HydrophobicContact CH2-CG 4.24Å; W43-E213 HydrophobicContact CZ2-CB 4.02Å; W43-E213 HydrophobicContact CZ2-CG 3.56Å
44G95.7Very high91.4Very high0 Ų081.6 Ų81.60%044%0.439CS..SBendtrans-66.6171.1176.100000114.9Y42 Q133 G134 T205 R206Y42-G44 WeakPolarHBondContact CE1-O 3.36Å; G44-Q133 PolarHBondContact N-O 2.86Å; G44-G134 WeakPolarHBondContact CA-O 3.32Å; G44-T205 PolarHBondContact O-OG1 2.82Å; G44-R206 PolarHBondContact O-NH1 2.86Å; G44-R206 PolarHBondContact O-NH2 2.77Å
45P93.2Very high91.4Very high86 Ų8682.7 Ų82.756%0.55845%0.446SS*.SBendtrans-64.1158.817927.9-35000112.9Y42 T205Y42-P45 WeakPolarHBondContact CE1-O 3.07Å; Y42-P45 PolarHBondContact OH-O 3.14Å; P45-T205 HydrophobicContact CB-CG2 4.19Å
46G90.5Very high91.6Very high61 Ų6187.6 Ų87.663%0.62946%0.464SS*.SBendtrans80.2-167.1177.300000114.8R206G46-R206 PolarHBondContact O-NH2 2.77Å
47D88Confident92.1Very high84 Ų8481.9 Ų81.945%0.44944%0.439SS..  trans-88.9135.6174.6-167.1-31.6000109.8K49 D50D47-K49 PolarHBondContact O-N 3.18Å; D47-K49 WeakPolarHBondContact OD1-CG 3.32Å; D47-K49 PolarHBondContact OD1-N 3.4Å; D47-D50 PolarHBondContact O-N 3.02Å
48A89.5Confident92.5Very high52 Ų5284.5 Ų84.543%0.4345%0.449SS..G310 helixtrans-60.2-24.1178.100000113.2Y42 D50 F51Y42-A48 HydrophobicContact CD1-CB 3.7Å; Y42-A48 HydrophobicContact CG-CB 3.79Å; A48-D50 VanDerWaalsContact C-N 3.31Å; A48-D50 PolarHBondContact O-N 3.33Å; A48-F51 WeakPolarHBondContact O-CB 3.34Å; A48-F51 PolarHBondContact O-N 3.12Å
49K90.1Very high93Very high178 Ų17885.1 Ų85.177%0.77445%0.454SS*.G310 helixtrans-70.1-28.4-179.9-65.8173.8-172.2166.40113.6D47D47-K49 PolarHBondContact O-N 3.18Å; D47-K49 WeakPolarHBondContact OD1-CG 3.32Å; D47-K49 PolarHBondContact OD1-N 3.4Å
50D89Confident93.4Very high135 Ų13584 Ų8472%0.72245%0.446SS*.G310 helixtrans-96.6-1.2-176.9-57.5-39.2000111.7D47 A48D47-D50 PolarHBondContact O-N 3.02Å; A48-D50 VanDerWaalsContact C-N 3.31Å; A48-D50 PolarHBondContact O-N 3.33Å
51F88.5Confident93.8Very high53 Ų5384.6 Ų84.623%0.23244%0.443CS..  trans-76.9128.6-176.9173.5-115.9000111.6Y42 A48 P53 E131Y42-F51 HydrophobicContact CD2-CB 4.37Å; Y42-F51 AromaticContact CD2-CD1 3.69Å; Y42-F51 HydrophobicContact CD2-CD1 3.69Å; Y42-F51 HydrophobicContact CD2-CD2 4.37Å; Y42-F51 AromaticContact CD2-CE1 3.94Å; Y42-F51 HydrophobicContact CD2-CE1 3.94Å; Y42-F51 AromaticContact CD2-CG 3.89Å; Y42-F51 HydrophobicContact CD2-CG 3.89Å; Y42-F51 HydrophobicContact CD2-CZ 4.37Å; Y42-F51 HydrophobicContact CE2-CB 3.84Å; Y42-F51 AromaticContact CE2-CD1 3.51Å; Y42-F51 HydrophobicContact CE2-CD1 3.51Å; Y42-F51 AromaticContact CE2-CD2 3.37Å; Y42-F51 HydrophobicContact CE2-CD2 3.37Å; Y42-F51 AromaticContact CE2-CE1 3.77Å; Y42-F51 HydrophobicContact CE2-CE1 3.77Å; Y42-F51 AromaticContact CE2-CE2 3.65Å; Y42-F51 HydrophobicContact CE2-CE2 3.65Å; Y42-F51 AromaticContact CE2-CG 3.26Å; Y42-F51 HydrophobicContact CE2-CG 3.26Å; Y42-F51 AromaticContact CE2-CZ 3.81Å; Y42-F51 HydrophobicContact CE2-CZ 3.81Å; Y42-F51 AromaticContact CZ-CD2 3.81Å; Y42-F51 AromaticContact CZ-CG 3.86Å; A48-F51 WeakPolarHBondContact O-CB 3.34Å; A48-F51 PolarHBondContact O-N 3.12Å; F51-P53 HydrophobicContact CD1-CG 4.17Å; F51-P53 HydrophobicContact CE1-CB 4.06Å; F51-P53 HydrophobicContact CE1-CG 3.72Å; F51-P53 HydrophobicContact CZ-CB 4.22Å; F51-P53 HydrophobicContact CZ-CG 4.34Å; F51-E131 VanDerWaalsContact CE2-CD 3.41Å; F51-E131 HydrophobicContact CE2-CG 4.49Å; F51-E131 WeakPolarHBondContact CE2-OE1 3.43Å; F51-E131 WeakPolarHBondContact CE2-OE2 3.34Å; F51-E131 VanDerWaalsContact CZ-CD 3.43Å; F51-E131 HydrophobicContact CZ-CG 4.21Å; F51-E131 WeakPolarHBondContact CZ-OE1 3.39Å
52V88.9Confident93.9Very high123 Ų12383 Ų8375%0.74543%0.433SS*.  trans-112112.9172-1790000107.5D54V52-D54 PolarHBondContact O-N 3.42Å
53P89Confident94Very high78 Ų7888.6 Ų88.651%0.50646%0.46SS..  trans-61.3132-177.9-21.830.6000112.9F51 E131F51-P53 HydrophobicContact CD1-CG 4.17Å; F51-P53 HydrophobicContact CE1-CB 4.06Å; F51-P53 HydrophobicContact CE1-CG 3.72Å; F51-P53 HydrophobicContact CZ-CB 4.22Å; F51-P53 HydrophobicContact CZ-CG 4.34Å; P53-E131 WeakPolarHBondContact CA-OE1 3.39Å
54D94Very high94Very high50 Ų5089.1 Ų89.127%0.26746%0.464SS..  trans-97.1106.4164.8-172.86000110.5V52 K56 Y58 E131V52-D54 PolarHBondContact O-N 3.42Å; D54-K56 VanDerWaalsContact C-N 3.26Å; D54-K56 PolarHBondContact O-N 3.31Å; D54-K56 VanDerWaalsContact OD1-CB 3.25Å; D54-K56 WeakPolarHBondContact OD1-CB 3.32Å; D54-K56 VanDerWaalsContact OD1-CG 3.28Å; D54-K56 WeakPolarHBondContact OD1-CG 3.28Å; D54-K56 PolarHBondContact OD1-N 3.23Å; D54-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D54-Y58 WeakPolarHBondContact OD2-CE2 3.44Å; D54-Y58 VanDerWaalsContact OD2-CZ 3.28Å; D54-Y58 PolarHBondContact OD2-OH 3.42Å; D54-E131 PolarHBondContact N-OE1 3.31Å; D54-E131 WeakPolarHBondContact O-CB 3.22Å
55E94.7Very high94Very high139 Ų13992.7 Ų92.765%0.6549%0.487SS*.  trans-82.9-2-179.5-58.9-168.9164.300113.9
56K97.7Very high94.2Very high135 Ų13593 Ų9359%0.58748%0.481SS*.  trans-69.1153.3-177.1-66.8171.6-176.1170.90111.8D54 Y58 T130D54-K56 VanDerWaalsContact C-N 3.26Å; D54-K56 PolarHBondContact O-N 3.31Å; D54-K56 VanDerWaalsContact OD1-CB 3.25Å; D54-K56 WeakPolarHBondContact OD1-CB 3.32Å; D54-K56 VanDerWaalsContact OD1-CG 3.28Å; D54-K56 WeakPolarHBondContact OD1-CG 3.28Å; D54-K56 PolarHBondContact OD1-N 3.23Å; K56-Y58 HydrophobicContact CB-CD2 4.49Å; K56-Y58 HydrophobicContact CB-CE1 4.42Å; K56-Y58 HydrophobicContact CB-CE2 3.76Å; K56-Y58 WeakPolarHBondContact CD-OH 3.27Å; K56-T130 WeakPolarHBondContact O-CB 3.35Å; K56-T130 PolarHBondContact O-OG1 3.15Å
57I98.6Very high94.5Very high78 Ų7893.1 Ų93.140%0.447%0.473SS..EExtended strand (participates in β ladder)trans-108.9125.5172.5-62.6168.3000107Y128 Y139 L225I57-Y128 HydrophobicContact CG2-CD1 3.71Å; I57-Y128 HydrophobicContact CG2-CG 4.07Å; I57-Y139 WeakPolarHBondContact CG2-OH 3.33Å; I57-L225 HydrophobicContact CD1-CD2 3.67Å
58Y98.5Very high95Very high99 Ų9993.3 Ų93.339%0.38847%0.471SS..EExtended strand (participates in β ladder)trans-109.3136-179.5-61-82.6000109.7D54 K56 Y128 K129D54-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D54-Y58 WeakPolarHBondContact OD2-CE2 3.44Å; D54-Y58 VanDerWaalsContact OD2-CZ 3.28Å; D54-Y58 PolarHBondContact OD2-OH 3.42Å; K56-Y58 HydrophobicContact CB-CD2 4.49Å; K56-Y58 HydrophobicContact CB-CE1 4.42Å; K56-Y58 HydrophobicContact CB-CE2 3.76Å; K56-Y58 WeakPolarHBondContact CD-OH 3.27Å; Y58-Y128 CarbonylContact O-C 3.48Å; Y58-Y128 WeakPolarHBondContact O-CA 3.3Å; Y58-Y128 WeakPolarHBondContact O-CB 3.42Å; Y58-K129 PolarHBondContact N-O 3.2Å; Y58-K129 PolarHBondContact O-N 2.98Å
59E98.4Very high95.4Very high169 Ų16990.8 Ų90.879%0.7945%0.45SS*.EExtended strand (participates in β ladder)trans-62.9138.6168.9-70.7-175.5173.600109.9Y128E59-Y128 HydrophobicContact CG-CD1 4.17Å; E59-Y128 HydrophobicContact CG-CE1 3.78Å
60F98.6Very high95.7Very high40 Ų4085.6 Ų85.618%0.17543%0.431CS..EExtended strand (participates in β ladder)trans-115.9131.3173.5176.7-99000108.9L62 Q127 K129 H138 W200F60-L62 HydrophobicContact CE1-CB 4.46Å; F60-Q127 HydrophobicContact CB-CB 4.11Å; F60-Q127 HydrophobicContact CD1-CB 3.79Å; F60-Q127 HydrophobicContact CG-CB 4.46Å; F60-Q127 PolarHBondContact N-O 3.46Å; F60-K129 HydrophobicContact CB-CG 4.37Å; F60-K129 HydrophobicContact CD2-CD 4.23Å; F60-K129 HydrophobicContact CD2-CG 4.37Å; F60-H138 AromaticContact CD1-CD2 3.57Å; F60-H138 AromaticContact CD1-NE2 3.69Å; F60-H138 AromaticContact CE1-CD2 3.93Å; F60-H138 AromaticContact CE1-NE2 3.95Å; F60-W200 HydrophobicContact CE1-CD2 4.1Å; F60-W200 HydrophobicContact CE1-CG 4.09Å; F60-W200 HydrophobicContact CE2-CG 4.42Å; F60-W200 HydrophobicContact CZ-CB 4.08Å; F60-W200 AromaticContact CZ-CD1 3.6Å; F60-W200 HydrophobicContact CZ-CD2 4.05Å; F60-W200 AromaticContact CZ-CG 3.63Å; F60-W200 HydrophobicContact CZ-CG 3.63Å; F60-W200 AromaticContact CZ-NE1 3.97Å
61K98Very high96.1Very high133 Ų13383.1 Ų83.158%0.57842%0.417SS*.  trans-130.7126.9171.2-167.6175.6-176.8176.50107.8Q63 N123K61-Q63 PolarHBondContact O-N 2.83Å; K61-N123 HydrophobicContact CG-CB 4.44Å; K61-N123 WeakPolarHBondContact CG-OD1 3.4Å
62L97.9Very high96.6Very high8 Ų880.6 Ų80.64%0.04241%0.406CS..  trans-65118.4174.8-178.763.3000108.9F60 V64 Q119 F122 N123 W200F60-L62 HydrophobicContact CE1-CB 4.46Å; L62-V64 HydrophobicContact CD1-CG2 3.76Å; L62-V64 HydrophobicContact CD2-CG2 4.49Å; L62-V64 HydrophobicContact CG-CG2 4.05Å; L62-Q119 HydrophobicContact CD2-CG 4.31Å; L62-Q119 HydrophobicContact CG-CG 4.28Å; L62-F122 HydrophobicContact CD2-CB 3.7Å; L62-F122 HydrophobicContact CD2-CD2 3.99Å; L62-F122 HydrophobicContact CD2-CG 3.86Å; L62-N123 PolarHBondContact N-OD1 2.85Å; L62-N123 PolarHBondContact O-ND2 3.05Å; L62-W200 HydrophobicContact CD1-CZ2 3.84Å; L62-W200 HydrophobicContact CD2-CZ2 4.06Å
63Q96.8Very high97Very high150 Ų15078.2 Ų78.270%0.70138%0.384SS*.  trans-131.2100.4173.5-65.6-173.67.400107.8K61K61-Q63 PolarHBondContact O-N 2.83Å
64V97.8Very high97.4Very high21 Ų2181 Ų8113%0.12739%0.388CS..  trans-95.3120175.8-178.60000108.2L62 E68 I69 W115 L371L62-V64 HydrophobicContact CD1-CG2 3.76Å; L62-V64 HydrophobicContact CD2-CG2 4.49Å; L62-V64 HydrophobicContact CG-CG2 4.05Å; V64-E68 HydrophobicContact CG1-CB 3.82Å; V64-E68 HydrophobicContact CG1-CG 4.37Å; V64-I69 HydrophobicContact CG1-CD1 3.91Å; V64-I69 HydrophobicContact CG1-CG1 3.99Å; V64-W115 HydrophobicContact CB-CZ2 4.18Å; V64-W115 HydrophobicContact CG2-CZ2 3.75Å; V64-L371 HydrophobicContact CG1-CD2 3.76Å; V64-L371 HydrophobicContact CG2-CD1 3.83Å; V64-L371 HydrophobicContact CG2-CD2 4.17Å
65P97.1Very high97.5Very high74 Ų7480.9 Ų80.948%0.48139%0.386SS..  trans-57.9140.1173.2-23.233.7000110.9S67 E68P65-S67 PolarHBondContact O-N 2.9Å; P65-E68 HydrophobicContact CB-CG 4.34Å; P65-E68 HydrophobicContact CG-CG 4.31Å; P65-E68 WeakPolarHBondContact O-CB 3.33Å; P65-E68 PolarHBondContact O-N 3.14Å
66Q96.2Very high97.6Very high92 Ų9274.2 Ų74.243%0.4336%0.355SS..Hα-helixtrans-54.6-30.8176.3-174.158.248.500112.3E68 I69 D70Q66-E68 VanDerWaalsContact C-N 3.32Å; Q66-E68 PolarHBondContact O-N 3.41Å; Q66-I69 PolarHBondContact O-N 2.9Å; Q66-D70 PolarHBondContact NE2-OD1 3.17Å; Q66-D70 VanDerWaalsContact O-CG 3.29Å; Q66-D70 PolarHBondContact O-N 2.65Å
67S97.6Very high97.6Very high64 Ų6473.1 Ų73.145%0.44836%0.355SS..Hα-helixtrans-59.4-37176.154.80000113.5P65 I69 D70 D71P65-S67 PolarHBondContact O-N 2.9Å; S67-I69 VanDerWaalsContact C-N 3.33Å; S67-D70 PolarHBondContact O-N 3.06Å; S67-D71 VanDerWaalsContact O-CB 3.29Å; S67-D71 WeakPolarHBondContact O-CB 3.39Å; S67-D71 PolarHBondContact O-N 3.12Å
68E97.8Very high97.4Very high88 Ų8876.7 Ų76.741%0.41136%0.364SS..Hα-helixtrans-66.3-38.8177.9-65.1-66.4158.300111V64 P65 Q66 L72V64-E68 HydrophobicContact CG1-CB 3.82Å; V64-E68 HydrophobicContact CG1-CG 4.37Å; P65-E68 HydrophobicContact CB-CG 4.34Å; P65-E68 HydrophobicContact CG-CG 4.31Å; P65-E68 WeakPolarHBondContact O-CB 3.33Å; P65-E68 PolarHBondContact O-N 3.14Å; Q66-E68 VanDerWaalsContact C-N 3.32Å; Q66-E68 PolarHBondContact O-N 3.41Å; E68-L72 WeakPolarHBondContact O-CB 3.38Å; E68-L72 PolarHBondContact O-N 3.36Å
69I98.2Very high97Very high0 Ų078.2 Ų78.20%038%0.384CS..Hα-helixtrans-71.5-39.2177.8-58.7-57.3000111.3V64 Q66 S67 R73 L112 W115 M367V64-I69 HydrophobicContact CG1-CD1 3.91Å; V64-I69 HydrophobicContact CG1-CG1 3.99Å; Q66-I69 PolarHBondContact O-N 2.9Å; S67-I69 VanDerWaalsContact C-N 3.33Å; I69-R73 WeakPolarHBondContact O-CB 3.37Å; I69-R73 PolarHBondContact O-N 3.32Å; I69-L112 HydrophobicContact CG2-CB 4.39Å; I69-L112 HydrophobicContact CG2-CD2 4.27Å; I69-W115 HydrophobicContact CD1-CD2 3.54Å; I69-W115 HydrophobicContact CD1-CE3 4.23Å; I69-W115 HydrophobicContact CD1-CG 3.65Å; I69-W115 HydrophobicContact CD1-CZ2 4.23Å; I69-W115 VanDerWaalsContact CG1-CD1 3.48Å; I69-W115 HydrophobicContact CG1-CD2 4.21Å; I69-W115 HydrophobicContact CG1-CG 3.78Å; I69-W115 HydrophobicContact CG2-CB 4.27Å; I69-W115 HydrophobicContact CG2-CG 4.38Å; I69-M367 HydrophobicContact CD1-CE 3.92Å
70D97.4Very high96.7Very high69 Ų6972.5 Ų72.537%0.36936%0.358SS..Hα-helixtrans-68.7-37.5176.3-67.9-19.2000111.7Q66 S67 R73 K74Q66-D70 PolarHBondContact NE2-OD1 3.17Å; Q66-D70 VanDerWaalsContact O-CG 3.29Å; Q66-D70 PolarHBondContact O-N 2.65Å; S67-D70 PolarHBondContact O-N 3.06Å; D70-R73 PolarHBondContact O-N 3.34Å; D70-R73 IonicContact OD1-NH1 3.65Å; D70-R73 PolarHBondContact OD1-NH1 2.99Å; D70-K74 WeakPolarHBondContact O-CB 3.25Å; D70-K74 PolarHBondContact O-N 3.45Å
71D97.4Very high96.4Very high82 Ų8282 Ų8244%0.43939%0.393SS..Hα-helixtrans-65-46.7173.9-80.8-24.6000111.2S67 R73 K74 E75S67-D71 VanDerWaalsContact O-CB 3.29Å; S67-D71 WeakPolarHBondContact O-CB 3.39Å; S67-D71 PolarHBondContact O-N 3.12Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 3.34Å; D71-K74 WeakPolarHBondContact O-CB 3.27Å; D71-K74 PolarHBondContact O-N 3.13Å; D71-K74 VanDerWaalsContact O-N 3.11Å; D71-E75 WeakPolarHBondContact O-CG 3.49Å; D71-E75 PolarHBondContact O-N 2.82Å
72L98.3Very high96.3Very high0 Ų078.6 Ų78.60%038%0.381CS..Hα-helixtrans-56.8-46.9172.1175.256.6000111.4E68 K74 E75 L76 W107 L112 P327 M367 Y370E68-L72 WeakPolarHBondContact O-CB 3.38Å; E68-L72 PolarHBondContact O-N 3.36Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 3.01Å; L72-E75 WeakPolarHBondContact O-CB 3.33Å; L72-E75 PolarHBondContact O-N 3.23Å; L72-E75 VanDerWaalsContact O-N 3.1Å; L72-L76 HydrophobicContact CD1-CD1 3.96Å; L72-L76 HydrophobicContact CD1-CD2 4.29Å; L72-L76 HydrophobicContact CD1-CG 3.88Å; L72-L76 HydrophobicContact CG-CD1 4.09Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.72Å; L72-W107 HydrophobicContact CD1-CH2 4Å; L72-W107 HydrophobicContact CD1-CZ2 3.93Å; L72-W107 HydrophobicContact CD2-CZ2 3.66Å; L72-W107 HydrophobicContact CG-CZ2 4.36Å; L72-L112 HydrophobicContact CB-CD1 4.47Å; L72-L112 HydrophobicContact CD2-CD1 3.93Å; L72-L112 HydrophobicContact CD2-CD2 3.73Å; L72-L112 HydrophobicContact CD2-CG 4.44Å; L72-L112 HydrophobicContact CG-CD1 3.87Å; L72-P327 HydrophobicContact CD1-CB 3.65Å; L72-P327 HydrophobicContact CD1-CG 4.01Å; L72-M367 HydrophobicContact CD2-CE 3.77Å; L72-M367 HydrophobicContact CD2-SD 3.6Å; L72-M367 VanDerWaalsContact CD2-SD 3.6Å; L72-Y370 WeakPolarHBondContact CA-OH 3.27Å; L72-Y370 HydrophobicContact CB-CE1 3.72Å; L72-Y370 WeakPolarHBondContact CB-OH 3.11Å; L72-Y370 HydrophobicContact CD1-CD1 4.43Å; L72-Y370 HydrophobicContact CD1-CD2 4.23Å; L72-Y370 HydrophobicContact CD1-CE1 3.94Å; L72-Y370 HydrophobicContact CD1-CE2 3.72Å; L72-Y370 HydrophobicContact CD2-CD1 3.92Å; L72-Y370 HydrophobicContact CD2-CE1 3.75Å; L72-Y370 HydrophobicContact CG-CE1 3.98Å
73R97.6Very high96.2Very high73 Ų7384 Ų8428%0.27541%0.414SS..Hα-helixtrans-58.6-40.1177.8-171.2-177.6-68.9127.7-0111.2I69 D70 D71 L76 N77 R108 L112I69-R73 WeakPolarHBondContact O-CB 3.37Å; I69-R73 PolarHBondContact O-N 3.32Å; D70-R73 PolarHBondContact O-N 3.34Å; D70-R73 IonicContact OD1-NH1 3.65Å; D70-R73 PolarHBondContact OD1-NH1 2.99Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 3.34Å; R73-L76 PolarHBondContact O-N 3.34Å; R73-N77 WeakPolarHBondContact O-CB 3.24Å; R73-N77 PolarHBondContact O-N 2.82Å; R73-R108 HydrophobicContact CG-CG 3.94Å; R73-L112 HydrophobicContact CB-CD1 4.11Å; R73-L112 PolarHBondContact NH2-O 2.97Å; R73-L112 VanDerWaalsContact NH2-O 3.08Å
74K96.6Very high96.2Very high136 Ų13684 Ų8459%0.59141%0.414SS*.Hα-helixtrans-65.9-38.9175.9-179.4-176.7178-175.70112.2D70 D71 L72 N77D70-K74 WeakPolarHBondContact O-CB 3.25Å; D70-K74 PolarHBondContact O-N 3.45Å; D71-K74 WeakPolarHBondContact O-CB 3.27Å; D71-K74 PolarHBondContact O-N 3.13Å; D71-K74 VanDerWaalsContact O-N 3.11Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 3.01Å; K74-N77 PolarHBondContact O-N 3.18Å
75E96.6Very high96.2Very high48 Ų4884.1 Ų84.122%0.22442%0.416CS..Hα-helixtrans-63.4-45.2174.2-69.1-170.2-101.500111.8D71 L72 N77 R78 P327 Y370D71-E75 WeakPolarHBondContact O-CG 3.49Å; D71-E75 PolarHBondContact O-N 2.82Å; L72-E75 WeakPolarHBondContact O-CB 3.33Å; L72-E75 PolarHBondContact O-N 3.23Å; L72-E75 VanDerWaalsContact O-N 3.1Å; E75-N77 VanDerWaalsContact C-N 3.27Å; E75-N77 PolarHBondContact O-N 2.92Å; E75-R78 WeakPolarHBondContact O-CB 3.3Å; E75-R78 WeakPolarHBondContact O-CG 3.36Å; E75-R78 PolarHBondContact O-N 2.74Å; E75-P327 HydrophobicContact CB-CG 3.81Å; E75-P327 VanDerWaalsContact OE2-CD 3.29Å; E75-P327 WeakPolarHBondContact OE2-CD 3.38Å; E75-Y370 PolarHBondContact OE1-OH 3.33Å
76L97.5Very high96.2Very high0 Ų085.4 Ų85.40%042%0.418CS..Hα-helixtrans-70.8-19.7177.8-62.1179.1000113.7L72 R73 R78 V104 W107 R108 L112 P327 V328L72-L76 HydrophobicContact CD1-CD1 3.96Å; L72-L76 HydrophobicContact CD1-CD2 4.29Å; L72-L76 HydrophobicContact CD1-CG 3.88Å; L72-L76 HydrophobicContact CG-CD1 4.09Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.72Å; R73-L76 PolarHBondContact O-N 3.34Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-V104 HydrophobicContact CB-CG1 4.24Å; L76-V104 HydrophobicContact CD2-CG1 4.15Å; L76-W107 HydrophobicContact CD1-CB 4.25Å; L76-W107 HydrophobicContact CD1-CD2 3.57Å; L76-W107 HydrophobicContact CD1-CE3 3.7Å; L76-W107 HydrophobicContact CD1-CG 3.81Å; L76-W107 HydrophobicContact CD1-CZ3 4.28Å; L76-W107 HydrophobicContact CD2-CD2 4.45Å; L76-W107 HydrophobicContact CD2-CE3 3.71Å; L76-W107 HydrophobicContact CD2-CZ3 3.75Å; L76-W107 HydrophobicContact CG-CE3 4.36Å; L76-R108 HydrophobicContact CB-CB 4.08Å; L76-R108 HydrophobicContact CB-CG 4.2Å; L76-R108 HydrophobicContact CD1-CB 4.25Å; L76-L112 HydrophobicContact CD1-CD1 3.91Å; L76-P327 HydrophobicContact CD2-CB 4.17Å; L76-P327 HydrophobicContact CD2-CG 4.11Å; L76-V328 HydrophobicContact CD2-CG2 3.86Å
77N96.4Very high96.3Very high111 Ų11188.8 Ų88.859%0.59444%0.439SS*.THydrogen-bonded Turntrans-82.4-6.3175.5-163.747.1000113.3R73 K74 E75R73-N77 WeakPolarHBondContact O-CB 3.24Å; R73-N77 PolarHBondContact O-N 2.82Å; K74-N77 PolarHBondContact O-N 3.18Å; E75-N77 VanDerWaalsContact C-N 3.27Å; E75-N77 PolarHBondContact O-N 2.92Å
78R94Very high96.2Very high154 Ų15489.7 Ų89.758%0.58146%0.459SS*.SBendtrans-67.5143.6175-67.2176.2176.6163.42.4109.6E75 L76 L80E75-R78 WeakPolarHBondContact O-CB 3.3Å; E75-R78 WeakPolarHBondContact O-CG 3.36Å; E75-R78 PolarHBondContact O-N 2.74Å; L76-R78 VanDerWaalsContact C-N 3.3Å; R78-L80 PolarHBondContact O-N 2.68Å
79T91.3Very high96.1Very high131 Ų13186.7 Ų86.780%0.80445%0.445SS*.PPolyproline II helixtrans-55.7116.5172.6-52.40000109.8R81T79-R81 PolarHBondContact O-N 2.69Å
80L92.2Very high96Very high48 Ų4887.7 Ų87.725%0.25145%0.453SS..PPolyproline II helixtrans-66.1128.2177-59.9-179.1000109R78 L82 E101 V104 V328R78-L80 PolarHBondContact O-N 2.68Å; L80-L82 HydrophobicContact CB-CD1 4.26Å; L80-L82 HydrophobicContact CB-CG 4.18Å; L80-L82 HydrophobicContact CD1-CD1 4.27Å; L80-E101 HydrophobicContact CD1-CG 3.91Å; L80-V104 HydrophobicContact CD1-CB 4.23Å; L80-V104 HydrophobicContact CD1-CG1 4.09Å; L80-V104 HydrophobicContact CD1-CG2 4.41Å; L80-V328 HydrophobicContact CD2-CG1 4.28Å; L80-V328 HydrophobicContact CD2-CG2 3.79Å
81R92.8Very high95.9Very high241 Ų24185 Ų8591%0.90944%0.438SS*.  trans-110.268.6174.9-65.9-174-179-169.7-0108.5T79T79-R81 PolarHBondContact O-N 2.69Å
82L94.3Very high95.8Very high60 Ų6086.8 Ų86.831%0.31444%0.444SS..PPolyproline II helixtrans-96148179.3-59.8175.5000109.7L80 T97 L100 E101L80-L82 HydrophobicContact CB-CD1 4.26Å; L80-L82 HydrophobicContact CB-CG 4.18Å; L80-L82 HydrophobicContact CD1-CD1 4.27Å; L82-T97 HydrophobicContact CB-CG2 3.92Å; L82-T97 HydrophobicContact CD1-CG2 4.25Å; L82-T97 HydrophobicContact CG-CG2 4.45Å; L82-L100 HydrophobicContact CD1-CB 4.43Å; L82-L100 HydrophobicContact CD1-CD2 3.99Å; L82-L100 HydrophobicContact CD1-CG 4.37Å; L82-L100 HydrophobicContact CD2-CD2 4.3Å; L82-E101 HydrophobicContact CD1-CG 4.05Å
83T96.4Very high95.8Very high123 Ų12395.3 Ų95.376%0.75548%0.477SS*.PPolyproline II helixtrans-79.1135.8169.9-56.50000108.7T97T83-T97 WeakPolarHBondContact O-CB 3.41Å; T83-T97 WeakPolarHBondContact O-CG2 3.24Å; T83-T97 PolarHBondContact O-OG1 2.89Å
84E96.9Very high95.7Very high148 Ų14893 Ų9369%0.69248%0.477SS*.PPolyproline II helixtrans-58141.3174.1-68.9-178.2162.900110.3
85P97.5Very high95.7Very high25 Ų2587.4 Ų87.416%0.16245%0.452CS..PPolyproline II helixtrans-71.5162.2177.633.2-30.5000109.9N96 T97 Y98P85-N96 WeakPolarHBondContact CB-ND2 3.01Å; P85-T97 VanDerWaalsContact CD-OG1 3.25Å; P85-T97 WeakPolarHBondContact CD-OG1 3.44Å; P85-Y98 VanDerWaalsContact CD-CE2 3.45Å; P85-Y98 VanDerWaalsContact CD-CZ 3.42Å; P85-Y98 HydrophobicContact CG-CD2 3.46Å; P85-Y98 VanDerWaalsContact CG-CD2 3.46Å; P85-Y98 HydrophobicContact CG-CE1 4.5Å; P85-Y98 HydrophobicContact CG-CE2 3.33Å; P85-Y98 HydrophobicContact CG-CG 4.13Å
86L98Very high95.8Very high100 Ų10085.6 Ų85.652%0.52444%0.444SS..PPolyproline II helixtrans-66.2154.7170.5-58.1175.6000110.5G88 I89 Y93L86-G88 PolarHBondContact O-N 2.9Å; L86-I89 HydrophobicContact CB-CD1 3.85Å; L86-I89 HydrophobicContact CB-CG1 3.94Å; L86-I89 HydrophobicContact CB-CG2 3.92Å; L86-I89 HydrophobicContact CD1-CD1 4.47Å; L86-I89 HydrophobicContact CG-CD1 4.33Å; L86-I89 WeakPolarHBondContact O-CG1 3.45Å; L86-Y93 HydrophobicContact CD1-CD1 4.26Å; L86-Y93 HydrophobicContact CD1-CE1 3.93Å; L86-Y93 HydrophobicContact CD1-CE2 4.44Å
87D97.1Very high95.8Very high163 Ų16386.7 Ų86.787%0.87245%0.451SS*.THydrogen-bonded Turntrans-65.6128178-69.6-33.1000111.3I89D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.93Å
88G95.4Very high95.8Very high84 Ų8486.1 Ų86.187%0.86644%0.441SS*.THydrogen-bonded Turntrans76.52.8168.500000117L86L86-G88 PolarHBondContact O-N 2.9Å
89I95.6Very high95.9Very high24 Ų2479 Ų7912%0.12342%0.415CS..  trans-85.5-11-175.861.9155.1000114.8L86 D87 F91 E92 Y93L86-I89 HydrophobicContact CB-CD1 3.85Å; L86-I89 HydrophobicContact CB-CG1 3.94Å; L86-I89 HydrophobicContact CB-CG2 3.92Å; L86-I89 HydrophobicContact CD1-CD1 4.47Å; L86-I89 HydrophobicContact CG-CD1 4.33Å; L86-I89 WeakPolarHBondContact O-CG1 3.45Å; D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.93Å; I89-F91 PolarHBondContact O-N 3.31Å; I89-E92 HydrophobicContact CB-CB 4.41Å; I89-E92 WeakPolarHBondContact O-CB 3.4Å; I89-E92 WeakPolarHBondContact O-CG 3.49Å; I89-E92 PolarHBondContact O-N 2.9Å; I89-Y93 HydrophobicContact CB-CD2 4.23Å; I89-Y93 HydrophobicContact CD1-CD2 3.61Å; I89-Y93 HydrophobicContact CD1-CE2 4.5Å; I89-Y93 HydrophobicContact CD1-CG 3.76Å; I89-Y93 HydrophobicContact CG2-CD2 4.25Å; I89-Y93 HydrophobicContact CG2-CE2 4.19Å
90A96.1Very high96.2Very high21 Ų2172.9 Ų72.917%0.17438%0.378CS..THydrogen-bonded Turntrans44.9-106-171.100000112.3N96 Q348 F350A90-N96 WeakPolarHBondContact O-CB 3.03Å; A90-N96 PolarHBondContact O-ND2 2.99Å; A90-Q348 HydrophobicContact CB-CB 4.22Å; A90-F350 HydrophobicContact CB-CE2 4.02Å
91F97Very high96.4Very high12 Ų1274.1 Ų74.15%0.05338%0.382CS..THydrogen-bonded Turntrans-109.36.7-178.1-67-92.7000114.5I89 Y93 G94 F95 N96 A99 Q339 F350I89-F91 PolarHBondContact O-N 3.31Å; F91-Y93 PolarHBondContact O-N 3.46Å; F91-Y93 VanDerWaalsContact O-N 3.08Å; F91-G94 CarbonylContact C-O 3.52Å; F91-G94 VanDerWaalsContact CA-O 3.27Å; F91-G94 WeakPolarHBondContact CA-O 3.36Å; F91-G94 PolarHBondContact O-N 2.9Å; F91-F95 HydrophobicContact CD1-CD2 4.29Å; F91-F95 HydrophobicContact CE1-CD1 4.29Å; F91-F95 AromaticContact CE1-CD2 3.88Å; F91-F95 HydrophobicContact CE1-CD2 3.88Å; F91-F95 HydrophobicContact CE1-CE1 4.32Å; F91-F95 AromaticContact CE1-CE2 3.89Å; F91-F95 HydrophobicContact CE1-CE2 3.89Å; F91-F95 HydrophobicContact CE1-CG 4.11Å; F91-F95 HydrophobicContact CE1-CZ 4.14Å; F91-N96 HydrophobicContact CD1-CB 4.21Å; F91-N96 HydrophobicContact CE1-CB 4Å; F91-N96 HydrophobicContact CE2-CB 4.49Å; F91-N96 HydrophobicContact CZ-CB 4.15Å; F91-A99 HydrophobicContact CE1-CB 4.1Å; F91-A99 HydrophobicContact CZ-CB 3.67Å; F91-Q339 HydrophobicContact CB-CG 4.39Å; F91-Q339 HydrophobicContact CD1-CG 3.73Å; F91-Q339 HydrophobicContact CD2-CG 4.21Å; F91-Q339 HydrophobicContact CE1-CG 3.98Å; F91-Q339 HydrophobicContact CE2-CG 4.43Å; F91-Q339 HydrophobicContact CG-CG 3.86Å; F91-Q339 HydrophobicContact CZ-CG 4.32Å; F91-F350 HydrophobicContact CE2-CD1 4.18Å; F91-F350 AromaticContact CE2-CD2 3.98Å; F91-F350 HydrophobicContact CE2-CD2 3.98Å; F91-F350 HydrophobicContact CE2-CE1 4.35Å; F91-F350 HydrophobicContact CE2-CE2 4.15Å; F91-F350 AromaticContact CE2-CG 3.98Å; F91-F350 HydrophobicContact CE2-CG 3.98Å; F91-F350 HydrophobicContact CE2-CZ 4.34Å; F91-F350 HydrophobicContact CZ-CD1 4.27Å; F91-F350 HydrophobicContact CZ-CE1 4.49Å; F91-F350 HydrophobicContact CZ-CG 4.44Å
92E95.4Very high96.6Very high121 Ų12168.7 Ų68.757%0.56537%0.367SS*.THydrogen-bonded Turntrans-58.6-22.9-179.2-68.4178-173.600114I89I89-E92 HydrophobicContact CB-CB 4.41Å; I89-E92 WeakPolarHBondContact O-CB 3.4Å; I89-E92 WeakPolarHBondContact O-CG 3.49Å; I89-E92 PolarHBondContact O-N 2.9Å
93Y96.6Very high96.7Very high178 Ų17866.7 Ų66.770%0.69836%0.356SS*.THydrogen-bonded Turntrans-106.720.1177.7-73.9-121.3000112.4L86 I89 F91L86-Y93 HydrophobicContact CD1-CD1 4.26Å; L86-Y93 HydrophobicContact CD1-CE1 3.93Å; L86-Y93 HydrophobicContact CD1-CE2 4.44Å; I89-Y93 HydrophobicContact CB-CD2 4.23Å; I89-Y93 HydrophobicContact CD1-CD2 3.61Å; I89-Y93 HydrophobicContact CD1-CE2 4.5Å; I89-Y93 HydrophobicContact CD1-CG 3.76Å; I89-Y93 HydrophobicContact CG2-CD2 4.25Å; I89-Y93 HydrophobicContact CG2-CE2 4.19Å; F91-Y93 PolarHBondContact O-N 3.46Å; F91-Y93 VanDerWaalsContact O-N 3.08Å
94G96.6Very high96.7Very high25 Ų2560.9 Ų60.926%0.25832%0.32SS..SBendtrans97.4-160.5-17400000112.4F91 N96F91-G94 CarbonylContact C-O 3.52Å; F91-G94 VanDerWaalsContact CA-O 3.27Å; F91-G94 WeakPolarHBondContact CA-O 3.36Å; F91-G94 PolarHBondContact O-N 2.9Å; G94-N96 PolarHBondContact O-N 3.44Å; G94-N96 VanDerWaalsContact O-N 3.14Å
95F97.2Very high96.7Very high18 Ų1857.1 Ų57.18%0.07931%0.305CS..SBendtrans-64.4118-172.9-147.8-91000112.4F91 T97 A99 L100 F103 S332 L335 E336 Q339 I353F91-F95 HydrophobicContact CD1-CD2 4.29Å; F91-F95 HydrophobicContact CE1-CD1 4.29Å; F91-F95 AromaticContact CE1-CD2 3.88Å; F91-F95 HydrophobicContact CE1-CD2 3.88Å; F91-F95 HydrophobicContact CE1-CE1 4.32Å; F91-F95 AromaticContact CE1-CE2 3.89Å; F91-F95 HydrophobicContact CE1-CE2 3.89Å; F91-F95 HydrophobicContact CE1-CG 4.11Å; F91-F95 HydrophobicContact CE1-CZ 4.14Å; F95-T97 PolarHBondContact O-N 2.9Å; F95-A99 HydrophobicContact CD1-CB 4.47Å; F95-A99 HydrophobicContact CE1-CB 3.88Å; F95-A99 HydrophobicContact CZ-CB 4.44Å; F95-L100 HydrophobicContact CD1-CB 3.85Å; F95-L100 HydrophobicContact CD1-CD1 4.08Å; F95-L100 HydrophobicContact CD1-CG 4.45Å; F95-L100 HydrophobicContact CE1-CB 4.04Å; F95-L100 HydrophobicContact CE1-CD1 4.12Å; F95-F103 HydrophobicContact CE1-CD2 4.04Å; F95-F103 HydrophobicContact CE1-CE2 4.37Å; F95-F103 AromaticContact CZ-CD2 3.81Å; F95-F103 HydrophobicContact CZ-CD2 3.81Å; F95-F103 AromaticContact CZ-CE2 3.74Å; F95-F103 HydrophobicContact CZ-CE2 3.74Å; F95-F103 HydrophobicContact CZ-CG 4.37Å; F95-F103 HydrophobicContact CZ-CZ 4.23Å; F95-S332 WeakPolarHBondContact CB-OG 3.41Å; F95-L335 HydrophobicContact CD2-CB 3.87Å; F95-L335 HydrophobicContact CE1-CD1 4.48Å; F95-L335 HydrophobicContact CE2-CB 3.33Å; F95-L335 HydrophobicContact CE2-CD1 4.42Å; F95-L335 HydrophobicContact CE2-CG 4.49Å; F95-L335 HydrophobicContact CZ-CB 3.78Å; F95-L335 HydrophobicContact CZ-CD1 3.99Å; F95-E336 HydrophobicContact CB-CB 4.23Å; F95-E336 HydrophobicContact CD2-CB 4.04Å; F95-Q339 HydrophobicContact CE2-CB 4.48Å; F95-I353 HydrophobicContact CE2-CD1 4.04Å; F95-I353 HydrophobicContact CZ-CD1 4.41Å
96N98Very high96.8Very high10 Ų1059 Ų595%0.05331%0.309CS..  trans-61.9131-179.9-169.6-78.7000110.9P85 A90 F91 G94 Y98 A99 L100 F350P85-N96 WeakPolarHBondContact CB-ND2 3.01Å; A90-N96 WeakPolarHBondContact O-CB 3.03Å; A90-N96 PolarHBondContact O-ND2 2.99Å; F91-N96 HydrophobicContact CD1-CB 4.21Å; F91-N96 HydrophobicContact CE1-CB 4Å; F91-N96 HydrophobicContact CE2-CB 4.49Å; F91-N96 HydrophobicContact CZ-CB 4.15Å; G94-N96 PolarHBondContact O-N 3.44Å; G94-N96 VanDerWaalsContact O-N 3.14Å; N96-Y98 VanDerWaalsContact C-N 3.35Å; N96-Y98 PolarHBondContact O-N 3.13Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.24Å; N96-Y98 PolarHBondContact OD1-N 2.87Å; N96-A99 HydrophobicContact CB-CB 4.08Å; N96-A99 WeakPolarHBondContact O-CB 3.36Å; N96-A99 PolarHBondContact O-N 3.37Å; N96-A99 VanDerWaalsContact O-N 3.15Å; N96-A99 PolarHBondContact OD1-N 2.85Å; N96-L100 PolarHBondContact O-N 3.42Å; N96-F350 HydrophobicContact CB-CE1 4.02Å; N96-F350 HydrophobicContact CB-CZ 4.08Å
97T97.1Very high96.8Very high24 Ų2454.3 Ų54.315%0.14728%0.284CS..Hα-helixtrans-70.1-28.4-175.145.20000113.3L82 T83 P85 F95 L100 E101L82-T97 HydrophobicContact CB-CG2 3.92Å; L82-T97 HydrophobicContact CD1-CG2 4.25Å; L82-T97 HydrophobicContact CG-CG2 4.45Å; T83-T97 WeakPolarHBondContact O-CB 3.41Å; T83-T97 WeakPolarHBondContact O-CG2 3.24Å; T83-T97 PolarHBondContact O-OG1 2.89Å; P85-T97 VanDerWaalsContact CD-OG1 3.25Å; P85-T97 WeakPolarHBondContact CD-OG1 3.44Å; F95-T97 PolarHBondContact O-N 2.9Å; T97-L100 WeakPolarHBondContact O-CB 3.29Å; T97-L100 PolarHBondContact O-N 3.29Å; T97-E101 WeakPolarHBondContact O-CG 3.26Å; T97-E101 PolarHBondContact O-N 3.01Å
98Y96.5Very high96.8Very high99 Ų9948.5 Ų48.539%0.38825%0.25SS..Hα-helixtrans-70.2-33.5171.2-57.8-41.6000112.6P85 N96 Q102P85-Y98 VanDerWaalsContact CD-CE2 3.45Å; P85-Y98 VanDerWaalsContact CD-CZ 3.42Å; P85-Y98 HydrophobicContact CG-CD2 3.46Å; P85-Y98 VanDerWaalsContact CG-CD2 3.46Å; P85-Y98 HydrophobicContact CG-CE1 4.5Å; P85-Y98 HydrophobicContact CG-CE2 3.33Å; P85-Y98 HydrophobicContact CG-CG 4.13Å; N96-Y98 VanDerWaalsContact C-N 3.35Å; N96-Y98 PolarHBondContact O-N 3.13Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.24Å; N96-Y98 PolarHBondContact OD1-N 2.87Å; Y98-Q102 PolarHBondContact O-N 3.18Å; Y98-Q102 PolarHBondContact O-NE2 3.06Å
99A96.7Very high96.9Very high3 Ų348.3 Ų48.33%0.02523%0.229CC..Hα-helixtrans-65.7-47170.200000109.6F91 F95 N96 E101 Q102 F103 F350F91-A99 HydrophobicContact CE1-CB 4.1Å; F91-A99 HydrophobicContact CZ-CB 3.67Å; F95-A99 HydrophobicContact CD1-CB 4.47Å; F95-A99 HydrophobicContact CE1-CB 3.88Å; F95-A99 HydrophobicContact CZ-CB 4.44Å; N96-A99 HydrophobicContact CB-CB 4.08Å; N96-A99 WeakPolarHBondContact O-CB 3.36Å; N96-A99 PolarHBondContact O-N 3.37Å; N96-A99 VanDerWaalsContact O-N 3.15Å; N96-A99 PolarHBondContact OD1-N 2.85Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.27Å; A99-Q102 WeakPolarHBondContact O-CB 3.46Å; A99-Q102 PolarHBondContact O-N 2.86Å; A99-F103 VanDerWaalsContact O-CD2 3.3Å; A99-F103 WeakPolarHBondContact O-CD2 3.48Å; A99-F103 PolarHBondContact O-N 3.32Å; A99-F350 HydrophobicContact CB-CD1 3.65Å; A99-F350 HydrophobicContact CB-CE1 3.76Å
100L97.3Very high97Very high4 Ų450.7 Ų50.72%0.02124%0.242CC..Hα-helixtrans-56.8-41.7-178.2-169.555.4000112.5L82 F95 N96 T97 F103 V104 V328 A331L82-L100 HydrophobicContact CD1-CB 4.43Å; L82-L100 HydrophobicContact CD1-CD2 3.99Å; L82-L100 HydrophobicContact CD1-CG 4.37Å; L82-L100 HydrophobicContact CD2-CD2 4.3Å; F95-L100 HydrophobicContact CD1-CB 3.85Å; F95-L100 HydrophobicContact CD1-CD1 4.08Å; F95-L100 HydrophobicContact CD1-CG 4.45Å; F95-L100 HydrophobicContact CE1-CB 4.04Å; F95-L100 HydrophobicContact CE1-CD1 4.12Å; N96-L100 PolarHBondContact O-N 3.42Å; T97-L100 WeakPolarHBondContact O-CB 3.29Å; T97-L100 PolarHBondContact O-N 3.29Å; L100-F103 PolarHBondContact O-N 2.99Å; L100-V104 HydrophobicContact CD1-CG2 4.45Å; L100-V104 HydrophobicContact CG-CG2 4.49Å; L100-V104 WeakPolarHBondContact O-CB 3.35Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 3.47Å; L100-V328 HydrophobicContact CD1-CG1 4.33Å; L100-V328 HydrophobicContact CD2-CG1 3.72Å; L100-V328 HydrophobicContact CG-CG1 3.98Å; L100-A331 HydrophobicContact CD1-CB 4.38Å
101E96.4Very high97.1Very high73 Ų7349.8 Ų49.834%0.34123%0.234SC..Hα-helixtrans-57.9-48175-73.4175174.900111.7L80 L82 T97 A99 F103 V104 D105L80-E101 HydrophobicContact CD1-CG 3.91Å; L82-E101 HydrophobicContact CD1-CG 4.05Å; T97-E101 WeakPolarHBondContact O-CG 3.26Å; T97-E101 PolarHBondContact O-N 3.01Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.27Å; E101-F103 VanDerWaalsContact C-N 3.34Å; E101-F103 PolarHBondContact O-N 2.97Å; E101-V104 PolarHBondContact O-N 2.91Å; E101-D105 PolarHBondContact O-N 2.68Å
102Q95.7Very high97.2Very high127 Ų12749.3 Ų49.359%0.59323%0.233SC*.Hα-helixtrans-63.3-39.5177.2-66.4175.653.800112.3Y98 A99 D105 Y106Y98-Q102 PolarHBondContact O-N 3.18Å; Y98-Q102 PolarHBondContact O-NE2 3.06Å; A99-Q102 WeakPolarHBondContact O-CB 3.46Å; A99-Q102 PolarHBondContact O-N 2.86Å; Q102-D105 PolarHBondContact O-N 2.91Å; Q102-Y106 WeakPolarHBondContact O-CB 3.4Å; Q102-Y106 PolarHBondContact O-N 3.13Å
103F96.7Very high97.2Very high19 Ų1947.9 Ų47.98%0.08323%0.232CC..Hα-helixtrans-63.2-44174.4-90-94.7000111.5F95 A99 L100 E101 Y106 W107 L335 I353 L359F95-F103 HydrophobicContact CE1-CD2 4.04Å; F95-F103 HydrophobicContact CE1-CE2 4.37Å; F95-F103 AromaticContact CZ-CD2 3.81Å; F95-F103 HydrophobicContact CZ-CD2 3.81Å; F95-F103 AromaticContact CZ-CE2 3.74Å; F95-F103 HydrophobicContact CZ-CE2 3.74Å; F95-F103 HydrophobicContact CZ-CG 4.37Å; F95-F103 HydrophobicContact CZ-CZ 4.23Å; A99-F103 VanDerWaalsContact O-CD2 3.3Å; A99-F103 WeakPolarHBondContact O-CD2 3.48Å; A99-F103 PolarHBondContact O-N 3.32Å; L100-F103 PolarHBondContact O-N 2.99Å; E101-F103 VanDerWaalsContact C-N 3.34Å; E101-F103 PolarHBondContact O-N 2.97Å; F103-Y106 PolarHBondContact O-N 3.34Å; F103-W107 VanDerWaalsContact O-CB 3.22Å; F103-W107 WeakPolarHBondContact O-CB 3.4Å; F103-W107 PolarHBondContact O-N 2.87Å; F103-L335 HydrophobicContact CB-CD1 4.27Å; F103-L335 HydrophobicContact CD1-CD1 3.6Å; F103-L335 HydrophobicContact CD1-CD2 4.34Å; F103-L335 HydrophobicContact CE1-CD1 4.06Å; F103-L335 HydrophobicContact CE1-CD2 4.12Å; F103-L335 HydrophobicContact CG-CD1 3.98Å; F103-I353 HydrophobicContact CE1-CD1 4.27Å; F103-I353 HydrophobicContact CE1-CG2 4.19Å; F103-I353 HydrophobicContact CZ-CB 4.1Å; F103-I353 HydrophobicContact CZ-CD1 3.73Å; F103-I353 HydrophobicContact CZ-CG2 4.11Å; F103-L359 HydrophobicContact CD1-CD1 3.57Å; F103-L359 HydrophobicContact CE1-CD1 3.14Å; F103-L359 HydrophobicContact CZ-CD1 4.03Å
104V97.8Very high97.3Very high1 Ų143.1 Ų43.11%0.00622%0.215CC..Hα-helixtrans-65-41.9178.1168.50000111.2L76 L80 L100 E101 W107 R108 V328L76-V104 HydrophobicContact CB-CG1 4.24Å; L76-V104 HydrophobicContact CD2-CG1 4.15Å; L80-V104 HydrophobicContact CD1-CB 4.23Å; L80-V104 HydrophobicContact CD1-CG1 4.09Å; L80-V104 HydrophobicContact CD1-CG2 4.41Å; L100-V104 HydrophobicContact CD1-CG2 4.45Å; L100-V104 HydrophobicContact CG-CG2 4.49Å; L100-V104 WeakPolarHBondContact O-CB 3.35Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 3.47Å; E101-V104 PolarHBondContact O-N 2.91Å; V104-W107 PolarHBondContact O-N 2.86Å; V104-R108 VanDerWaalsContact O-CB 3.29Å; V104-R108 WeakPolarHBondContact O-CB 3.4Å; V104-R108 PolarHBondContact O-N 2.91Å; V104-V328 HydrophobicContact CG2-CB 4.45Å; V104-V328 HydrophobicContact CG2-CG1 4.01Å; V104-V328 HydrophobicContact CG2-CG2 3.86Å
105D96.9Very high97.3Very high69 Ų6942.2 Ų42.237%0.36920%0.204SC..Hα-helixtrans-62.5-46.9176.1-75.7-25.7000111.1E101 Q102 W107 R108 D109E101-D105 PolarHBondContact O-N 2.68Å; Q102-D105 PolarHBondContact O-N 2.91Å; D105-W107 PolarHBondContact O-N 2.88Å; D105-R108 PolarHBondContact O-N 2.85Å; D105-R108 IonicContact OD1-CZ 3.53Å; D105-R108 IonicContact OD1-NH1 3.82Å; D105-R108 PolarHBondContact OD1-NH1 3.38Å; D105-R108 IonicContact OD1-NH2 3.5Å; D105-R108 PolarHBondContact OD1-NH2 2.97Å; D105-D109 VanDerWaalsContact O-CB 3.29Å; D105-D109 WeakPolarHBondContact O-CB 3.28Å; D105-D109 PolarHBondContact O-N 3.06Å
106Y97.9Very high97.4Very high64 Ų6446.1 Ų46.125%0.25123%0.225SC..Hα-helixtrans-62.3-44.1175.3-175.8-88.9000111.8Q102 F103 R108 N110 Y111 L359 L363Q102-Y106 WeakPolarHBondContact O-CB 3.4Å; Q102-Y106 PolarHBondContact O-N 3.13Å; F103-Y106 PolarHBondContact O-N 3.34Å; Y106-R108 PolarHBondContact O-N 3.21Å; Y106-N110 HydrophobicContact CD2-CB 3.77Å; Y106-N110 HydrophobicContact CE1-CB 4.44Å; Y106-N110 HydrophobicContact CE2-CB 3.68Å; Y106-N110 HydrophobicContact CG-CB 4.21Å; Y106-N110 WeakPolarHBondContact O-CA 3.49Å; Y106-N110 WeakPolarHBondContact O-CB 3.46Å; Y106-N110 PolarHBondContact O-N 3.24Å; Y106-Y111 PolarHBondContact O-N 2.92Å; Y106-L359 HydrophobicContact CD1-CD2 3.38Å; Y106-L359 HydrophobicContact CD1-CG 3.97Å; Y106-L359 HydrophobicContact CD2-CD2 4.13Å; Y106-L359 HydrophobicContact CE1-CD2 3.56Å; Y106-L359 HydrophobicContact CE1-CG 3.89Å; Y106-L359 HydrophobicContact CE2-CD2 4.28Å; Y106-L359 HydrophobicContact CG-CD2 3.69Å; Y106-L363 HydrophobicContact CD1-CD1 3.77Å; Y106-L363 HydrophobicContact CE1-CD1 3.95Å
107W98.3Very high97.4Very high2 Ų250.5 Ų50.51%0.00825%0.245CC..Iπ-helixtrans-57.9-51.7179.5-171.612.8000110.3L72 L76 F103 V104 D105 Y111 L112 P327 A331 L363 L366 M367L72-W107 HydrophobicContact CD1-CH2 4Å; L72-W107 HydrophobicContact CD1-CZ2 3.93Å; L72-W107 HydrophobicContact CD2-CZ2 3.66Å; L72-W107 HydrophobicContact CG-CZ2 4.36Å; L76-W107 HydrophobicContact CD1-CB 4.25Å; L76-W107 HydrophobicContact CD1-CD2 3.57Å; L76-W107 HydrophobicContact CD1-CE3 3.7Å; L76-W107 HydrophobicContact CD1-CG 3.81Å; L76-W107 HydrophobicContact CD1-CZ3 4.28Å; L76-W107 HydrophobicContact CD2-CD2 4.45Å; L76-W107 HydrophobicContact CD2-CE3 3.71Å; L76-W107 HydrophobicContact CD2-CZ3 3.75Å; L76-W107 HydrophobicContact CG-CE3 4.36Å; F103-W107 VanDerWaalsContact O-CB 3.22Å; F103-W107 WeakPolarHBondContact O-CB 3.4Å; F103-W107 PolarHBondContact O-N 2.87Å; V104-W107 PolarHBondContact O-N 2.86Å; D105-W107 PolarHBondContact O-N 2.88Å; W107-Y111 AromaticContact CD1-CD1 3.58Å; W107-Y111 AromaticContact NE1-CD1 3.9Å; W107-Y111 PolarHBondContact O-N 3.41Å; W107-L112 VanDerWaalsContact O-CG 3.26Å; W107-L112 WeakPolarHBondContact O-CG 3.48Å; W107-L112 PolarHBondContact O-N 2.85Å; W107-P327 HydrophobicContact CH2-CB 3.89Å; W107-P327 HydrophobicContact CZ3-CB 4.1Å; W107-A331 HydrophobicContact CE3-CB 4.48Å; W107-A331 HydrophobicContact CZ3-CB 3.94Å; W107-L363 HydrophobicContact CB-CD2 4.28Å; W107-L363 HydrophobicContact CD2-CD2 4.25Å; W107-L363 HydrophobicContact CG-CD2 4.01Å; W107-L366 HydrophobicContact CD2-CD2 4.41Å; W107-L366 HydrophobicContact CE3-CD2 4.14Å; W107-L366 HydrophobicContact CH2-CD2 3.68Å; W107-L366 HydrophobicContact CH2-CG 4.13Å; W107-L366 HydrophobicContact CZ2-CD2 3.96Å; W107-L366 HydrophobicContact CZ2-CG 4.27Å; W107-L366 HydrophobicContact CZ3-CD2 3.78Å; W107-M367 HydrophobicContact CZ2-SD 3.63Å
108R97.9Very high97.4Very high41 Ų4151.1 Ų51.116%0.15525%0.245CC..Iπ-helixtrans-64.7-49.9-179.2-174.6-172.365.3-132.5-8.8113.1R73 L76 V104 D105 Y106R73-R108 HydrophobicContact CG-CG 3.94Å; L76-R108 HydrophobicContact CB-CB 4.08Å; L76-R108 HydrophobicContact CB-CG 4.2Å; L76-R108 HydrophobicContact CD1-CB 4.25Å; V104-R108 VanDerWaalsContact O-CB 3.29Å; V104-R108 WeakPolarHBondContact O-CB 3.4Å; V104-R108 PolarHBondContact O-N 2.91Å; D105-R108 PolarHBondContact O-N 2.85Å; D105-R108 IonicContact OD1-CZ 3.53Å; D105-R108 IonicContact OD1-NH1 3.82Å; D105-R108 PolarHBondContact OD1-NH1 3.38Å; D105-R108 IonicContact OD1-NH2 3.5Å; D105-R108 PolarHBondContact OD1-NH2 2.97Å; Y106-R108 PolarHBondContact O-N 3.21Å
109D97.1Very high97.5Very high79 Ų7948.1 Ų48.142%0.42224%0.235SC..Iπ-helixtrans-96.4-20.8-163.5-60.8-26.3000113.5D105 T113D105-D109 VanDerWaalsContact O-CB 3.29Å; D105-D109 WeakPolarHBondContact O-CB 3.28Å; D105-D109 PolarHBondContact O-N 3.06Å; D109-T113 VanDerWaalsContact O-CG2 3.24Å; D109-T113 WeakPolarHBondContact O-CG2 3.45Å; D109-T113 PolarHBondContact O-OG1 3.04Å
110N97.7Very high97.6Very high75 Ų7554.5 Ų54.540%0.40126%0.264SS..Iπ-helixtrans-123-47.8-174.7-61.6-87.3000112.7Y106 T113Y106-N110 HydrophobicContact CD2-CB 3.77Å; Y106-N110 HydrophobicContact CE1-CB 4.44Å; Y106-N110 HydrophobicContact CE2-CB 3.68Å; Y106-N110 HydrophobicContact CG-CB 4.21Å; Y106-N110 WeakPolarHBondContact O-CA 3.49Å; Y106-N110 WeakPolarHBondContact O-CB 3.46Å; Y106-N110 PolarHBondContact O-N 3.24Å; N110-T113 PolarHBondContact O-OG1 3.13Å
111Y98.3Very high97.6Very high1 Ų156.6 Ų56.60%0.00428%0.275CS..Iπ-helixtrans-72.9-50.8-177.6179-87000111.4Y106 W107 T113 K114 W115 R118 E360 L363 D364 M367Y106-Y111 PolarHBondContact O-N 2.92Å; W107-Y111 AromaticContact CD1-CD1 3.58Å; W107-Y111 AromaticContact NE1-CD1 3.9Å; W107-Y111 PolarHBondContact O-N 3.41Å; Y111-T113 PolarHBondContact O-N 2.84Å; Y111-K114 PolarHBondContact O-N 3.27Å; Y111-W115 HydrophobicContact CE1-CE3 4.04Å; Y111-W115 HydrophobicContact CE1-CZ3 4.13Å; Y111-R118 HydrophobicContact CE2-CG 3.9Å; Y111-E360 HydrophobicContact CD2-CG 4.41Å; Y111-E360 HydrophobicContact CE2-CB 4.44Å; Y111-L363 HydrophobicContact CD1-CB 4.41Å; Y111-L363 HydrophobicContact CD1-CD1 4.48Å; Y111-L363 HydrophobicContact CD2-CB 3.69Å; Y111-L363 HydrophobicContact CD2-CD1 3.67Å; Y111-L363 HydrophobicContact CD2-CG 4.35Å; Y111-L363 HydrophobicContact CE1-CB 4.28Å; Y111-L363 HydrophobicContact CE2-CB 3.52Å; Y111-L363 HydrophobicContact CE2-CD1 4.39Å; Y111-L363 HydrophobicContact CG-CB 4.14Å; Y111-L363 HydrophobicContact CG-CD1 3.72Å; Y111-D364 WeakPolarHBondContact CE2-OD1 3.14Å; Y111-D364 WeakPolarHBondContact OH-CA 3.3Å; Y111-D364 PolarHBondContact OH-N 2.55Å; Y111-D364 PolarHBondContact OH-OD1 2.91Å; Y111-M367 HydrophobicContact CE1-CG 3.68Å; Y111-M367 HydrophobicContact CE1-SD 4.4Å
112L98.2Very high97.7Very high3 Ų353.2 Ų53.22%0.01626%0.259CS..G310 helixtrans-67.9-16.3-179.3-67.4-178.7000113.7I69 L72 R73 L76 W107 K114 M367I69-L112 HydrophobicContact CG2-CB 4.39Å; I69-L112 HydrophobicContact CG2-CD2 4.27Å; L72-L112 HydrophobicContact CB-CD1 4.47Å; L72-L112 HydrophobicContact CD2-CD1 3.93Å; L72-L112 HydrophobicContact CD2-CD2 3.73Å; L72-L112 HydrophobicContact CD2-CG 4.44Å; L72-L112 HydrophobicContact CG-CD1 3.87Å; R73-L112 HydrophobicContact CB-CD1 4.11Å; R73-L112 PolarHBondContact NH2-O 2.97Å; R73-L112 VanDerWaalsContact NH2-O 3.08Å; L76-L112 HydrophobicContact CD1-CD1 3.91Å; W107-L112 VanDerWaalsContact O-CG 3.26Å; W107-L112 WeakPolarHBondContact O-CG 3.48Å; W107-L112 PolarHBondContact O-N 2.85Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-M367 HydrophobicContact CD2-CE 4.28Å; L112-M367 HydrophobicContact CD2-SD 4.33Å
113T97.3Very high97.8Very high90 Ų9048.9 Ų48.955%0.55224%0.24SC*.G310 helixtrans-76.8-18.2173.260.20000112.3D109 N110 Y111D109-T113 VanDerWaalsContact O-CG2 3.24Å; D109-T113 WeakPolarHBondContact O-CG2 3.45Å; D109-T113 PolarHBondContact O-OG1 3.04Å; N110-T113 PolarHBondContact O-OG1 3.13Å; Y111-T113 PolarHBondContact O-N 2.84Å
114K97.1Very high97.9Very high79 Ų7951.6 Ų51.634%0.34326%0.262SS..G310 helixtrans-106.919.4175.8-56.9-179.3-171.7175.20112.8Y111 L112 D116 E117 R118 E360Y111-K114 PolarHBondContact O-N 3.27Å; L112-K114 VanDerWaalsContact C-N 3.27Å; K114-D116 PolarHBondContact O-N 2.62Å; K114-E117 WeakPolarHBondContact O-CB 3.48Å; K114-E117 PolarHBondContact O-N 2.85Å; K114-R118 PolarHBondContact O-N 3.25Å; K114-E360 IonicContact NZ-OE1 2.75Å
115W97.9Very high97.9Very high6 Ų652.6 Ų52.62%0.02327%0.266CS..Hα-helixtrans-55.5-39.2-173.2176.3-104000113V64 I69 Y111 E117 R118 Q119 M367 L371V64-W115 HydrophobicContact CB-CZ2 4.18Å; V64-W115 HydrophobicContact CG2-CZ2 3.75Å; I69-W115 HydrophobicContact CD1-CD2 3.54Å; I69-W115 HydrophobicContact CD1-CE3 4.23Å; I69-W115 HydrophobicContact CD1-CG 3.65Å; I69-W115 HydrophobicContact CD1-CZ2 4.23Å; I69-W115 VanDerWaalsContact CG1-CD1 3.48Å; I69-W115 HydrophobicContact CG1-CD2 4.21Å; I69-W115 HydrophobicContact CG1-CG 3.78Å; I69-W115 HydrophobicContact CG2-CB 4.27Å; I69-W115 HydrophobicContact CG2-CG 4.38Å; Y111-W115 HydrophobicContact CE1-CE3 4.04Å; Y111-W115 HydrophobicContact CE1-CZ3 4.13Å; W115-E117 VanDerWaalsContact C-N 3.29Å; W115-E117 PolarHBondContact O-N 3.05Å; W115-R118 HydrophobicContact CE3-CB 4.07Å; W115-R118 HydrophobicContact CZ3-CB 4.15Å; W115-R118 CarbonylContact O-C 3.17Å; W115-R118 WeakPolarHBondContact O-CA 3.46Å; W115-R118 WeakPolarHBondContact O-CB 3.29Å; W115-R118 PolarHBondContact O-N 2.99Å; W115-Q119 HydrophobicContact CZ2-CB 4.47Å; W115-Q119 PolarHBondContact O-N 3.02Å; W115-M367 HydrophobicContact CE3-CE 3.99Å; W115-M367 HydrophobicContact CH2-CB 4.15Å; W115-M367 HydrophobicContact CH2-CE 3.84Å; W115-M367 HydrophobicContact CH2-CG 4.41Å; W115-M367 HydrophobicContact CZ2-CE 4.43Å; W115-M367 HydrophobicContact CZ3-CB 3.98Å; W115-M367 HydrophobicContact CZ3-CE 3.59Å; W115-M367 HydrophobicContact CZ3-CG 3.79Å; W115-M367 HydrophobicContact CZ3-SD 4.45Å; W115-L371 HydrophobicContact CH2-CD1 3.47Å; W115-L371 VanDerWaalsContact CH2-CD1 3.47Å; W115-L371 HydrophobicContact CZ2-CD1 3.63Å
116D97.6Very high98Very high99 Ų9954.7 Ų54.753%0.52927%0.272SS..Hα-helixtrans-57.8-42.1178.6-69.4-24.3000112.1K114 R118 Q119 E120K114-D116 PolarHBondContact O-N 2.62Å; D116-R118 VanDerWaalsContact C-N 3.25Å; D116-R118 PolarHBondContact O-N 3.28Å; D116-Q119 PolarHBondContact O-N 3.14Å; D116-E120 WeakPolarHBondContact O-CG 3.32Å; D116-E120 PolarHBondContact O-N 2.95Å
117E98Very high98Very high102 Ų10251.9 Ų51.948%0.47726%0.261SS..Hα-helixtrans-65-30175.8-58.2177.8-166.100112.1K114 W115 L121K114-E117 WeakPolarHBondContact O-CB 3.48Å; K114-E117 PolarHBondContact O-N 2.85Å; W115-E117 VanDerWaalsContact C-N 3.29Å; W115-E117 PolarHBondContact O-N 3.05Å; E117-L121 PolarHBondContact O-N 3.19Å; E117-L121 VanDerWaalsContact O-N 3.14Å
118R98.1Very high98Very high38 Ų3854 Ų5414%0.14327%0.269CS..Hα-helixtrans-77.5-42.1177.4-55.7-55.771.8172.8-4.2110.8Y111 K114 W115 D116 E120 L121 F122 E360 D364Y111-R118 HydrophobicContact CE2-CG 3.9Å; K114-R118 PolarHBondContact O-N 3.25Å; W115-R118 HydrophobicContact CE3-CB 4.07Å; W115-R118 HydrophobicContact CZ3-CB 4.15Å; W115-R118 CarbonylContact O-C 3.17Å; W115-R118 WeakPolarHBondContact O-CA 3.46Å; W115-R118 WeakPolarHBondContact O-CB 3.29Å; W115-R118 PolarHBondContact O-N 2.99Å; D116-R118 VanDerWaalsContact C-N 3.25Å; D116-R118 PolarHBondContact O-N 3.28Å; R118-E120 VanDerWaalsContact C-N 3.29Å; R118-E120 PolarHBondContact O-N 3.32Å; R118-L121 WeakPolarHBondContact O-CB 3.41Å; R118-L121 PolarHBondContact O-N 3.01Å; R118-L121 VanDerWaalsContact O-N 3.12Å; R118-F122 VanDerWaalsContact O-CD2 3.27Å; R118-F122 WeakPolarHBondContact O-CD2 3.4Å; R118-F122 PolarHBondContact O-N 3.08Å; R118-E360 IonicContact CZ-OE2 2.9Å; R118-E360 IonicContact NH1-OE2 3.87Å; R118-E360 PolarHBondContact NH1-OE2 3.26Å; R118-D364 WeakPolarHBondContact CD-OD1 3.27Å
119Q98.4Very high98.1Very high35 Ų3554.5 Ų54.516%0.16427%0.272CS..Hα-helixtrans-60.5-39.5172.5-176.7176.1-92.500111.8L62 W115 D116 F122 N123L62-Q119 HydrophobicContact CD2-CG 4.31Å; L62-Q119 HydrophobicContact CG-CG 4.28Å; W115-Q119 HydrophobicContact CZ2-CB 4.47Å; W115-Q119 PolarHBondContact O-N 3.02Å; D116-Q119 PolarHBondContact O-N 3.14Å; Q119-F122 PolarHBondContact O-N 2.83Å; Q119-N123 WeakPolarHBondContact O-CB 3.01Å; Q119-N123 PolarHBondContact O-N 3.24Å; Q119-N123 PolarHBondContact O-ND2 3.37Å; Q119-N123 VanDerWaalsContact O-ND2 3.12Å
120E98.3Very high98.1Very high137 Ų13750.7 Ų50.764%0.6425%0.252SS*.Hα-helixtrans-63.7-40172.6-75.8-176.1164.700112.4D116 R118 N123 S124D116-E120 WeakPolarHBondContact O-CG 3.32Å; D116-E120 PolarHBondContact O-N 2.95Å; R118-E120 VanDerWaalsContact C-N 3.29Å; R118-E120 PolarHBondContact O-N 3.32Å; E120-N123 CarbonylContact O-C 3.54Å; E120-N123 PolarHBondContact O-N 2.85Å; E120-S124 PolarHBondContact O-N 2.98Å
121L98.1Very high98.2Very high49 Ų4948.6 Ų48.626%0.25724%0.24SC..Hα-helixtrans-58.5-48.1173.6177.465.6000111.5E117 R118 N123 S124 F171E117-L121 PolarHBondContact O-N 3.19Å; E117-L121 VanDerWaalsContact O-N 3.14Å; R118-L121 WeakPolarHBondContact O-CB 3.41Å; R118-L121 PolarHBondContact O-N 3.01Å; R118-L121 VanDerWaalsContact O-N 3.12Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.19Å; L121-S124 WeakPolarHBondContact O-CB 3.39Å; L121-S124 PolarHBondContact O-N 3.1Å; L121-S124 VanDerWaalsContact O-N 3.17Å; L121-S124 PolarHBondContact O-OG 2.85Å; L121-F171 HydrophobicContact CD1-CD2 4.26Å; L121-F171 HydrophobicContact CD2-CD2 4.28Å; L121-F171 HydrophobicContact CG-CD2 3.95Å; L121-F171 HydrophobicContact CG-CE2 4.04Å
122F98.3Very high98.1Very high1 Ų148.8 Ų48.80%0.00424%0.241CC..Hα-helixtrans-58.1-43.5174.2-81.5-78.9000111.8L62 R118 Q119 S124 Q127 R168 F171 W200 D364 V368L62-F122 HydrophobicContact CD2-CB 3.7Å; L62-F122 HydrophobicContact CD2-CD2 3.99Å; L62-F122 HydrophobicContact CD2-CG 3.86Å; R118-F122 VanDerWaalsContact O-CD2 3.27Å; R118-F122 WeakPolarHBondContact O-CD2 3.4Å; R118-F122 PolarHBondContact O-N 3.08Å; Q119-F122 PolarHBondContact O-N 2.83Å; F122-S124 PolarHBondContact O-N 3.34Å; F122-Q127 PolarHBondContact O-NE2 2.91Å; F122-R168 HydrophobicContact CE1-CB 4.39Å; F122-F171 AromaticContact CD1-CE2 3.9Å; F122-F171 HydrophobicContact CD1-CE2 3.9Å; F122-F171 AromaticContact CD1-CZ 3.46Å; F122-F171 HydrophobicContact CD1-CZ 3.46Å; F122-F171 VanDerWaalsContact CD1-CZ 3.46Å; F122-F171 HydrophobicContact CE1-CE2 4.17Å; F122-F171 AromaticContact CE1-CZ 3.77Å; F122-F171 HydrophobicContact CE1-CZ 3.77Å; F122-F171 HydrophobicContact CG-CE2 4.25Å; F122-F171 HydrophobicContact CG-CZ 4.2Å; F122-W200 AromaticContact CD1-CH2 3.56Å; F122-W200 HydrophobicContact CD1-CH2 3.56Å; F122-W200 HydrophobicContact CD1-CZ2 4.46Å; F122-W200 HydrophobicContact CD1-CZ3 4.28Å; F122-W200 AromaticContact CE1-CH2 3.6Å; F122-W200 HydrophobicContact CE1-CH2 3.6Å; F122-W200 HydrophobicContact CE1-CZ3 4.34Å; F122-W200 HydrophobicContact CG-CH2 4.41Å; F122-W200 HydrophobicContact CZ-CH2 4.45Å; F122-D364 HydrophobicContact CE2-CB 4.07Å; F122-D364 HydrophobicContact CZ-CB 3.96Å; F122-V368 HydrophobicContact CE1-CG2 3.8Å; F122-V368 HydrophobicContact CZ-CG2 3.78Å
123N98.4Very high98Very high36 Ų3649.9 Ų49.919%0.19325%0.246CC..THydrogen-bonded Turntrans-78.2-1.1-179.7-72.7-40.8000114.8K61 L62 Q119 E120 L121 F125K61-N123 HydrophobicContact CG-CB 4.44Å; K61-N123 WeakPolarHBondContact CG-OD1 3.4Å; L62-N123 PolarHBondContact N-OD1 2.85Å; L62-N123 PolarHBondContact O-ND2 3.05Å; Q119-N123 WeakPolarHBondContact O-CB 3.01Å; Q119-N123 PolarHBondContact O-N 3.24Å; Q119-N123 PolarHBondContact O-ND2 3.37Å; Q119-N123 VanDerWaalsContact O-ND2 3.12Å; E120-N123 CarbonylContact O-C 3.54Å; E120-N123 PolarHBondContact O-N 2.85Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.19Å; N123-F125 PolarHBondContact O-N 2.72Å
124S97.8Very high98Very high77 Ų7745.7 Ų45.754%0.53822%0.221SC..THydrogen-bonded Turntrans-69.8-18.8174.472.60000112.6E120 L121 F122E120-S124 PolarHBondContact O-N 2.98Å; L121-S124 WeakPolarHBondContact O-CB 3.39Å; L121-S124 PolarHBondContact O-N 3.1Å; L121-S124 VanDerWaalsContact O-N 3.17Å; L121-S124 PolarHBondContact O-OG 2.85Å; F122-S124 PolarHBondContact O-N 3.34Å
125F98.1Very high98.1Very high22 Ų2242 Ų4210%0.09621%0.205CC..SBendtrans-98.3142.9173.6-64.6-78.9000112N123 Q127 I140 E142 F171 I174N123-F125 PolarHBondContact O-N 2.72Å; F125-Q127 PolarHBondContact O-N 3.01Å; F125-Q127 PolarHBondContact O-NE2 2.71Å; F125-Q127 VanDerWaalsContact O-NE2 3.14Å; F125-I140 HydrophobicContact CB-CD1 4.32Å; F125-I140 HydrophobicContact CB-CG1 4.24Å; F125-I140 HydrophobicContact CB-CG2 3.89Å; F125-I140 HydrophobicContact CD1-CG2 4.19Å; F125-I140 HydrophobicContact CG-CD1 4.37Å; F125-I140 HydrophobicContact CG-CG2 4.28Å; F125-E142 VanDerWaalsContact CA-OE1 3.28Å; F125-E142 WeakPolarHBondContact CA-OE1 3.27Å; F125-E142 HydrophobicContact CD1-CG 3.79Å; F125-E142 HydrophobicContact CE1-CG 4.48Å; F125-F171 HydrophobicContact CD2-CD1 4.16Å; F125-F171 HydrophobicContact CD2-CD2 4.27Å; F125-F171 HydrophobicContact CD2-CE1 4.03Å; F125-F171 HydrophobicContact CD2-CE2 4.14Å; F125-F171 HydrophobicContact CD2-CG 4.27Å; F125-F171 HydrophobicContact CD2-CZ 4Å; F125-F171 HydrophobicContact CE2-CB 3.94Å; F125-F171 AromaticContact CE2-CD1 3.73Å; F125-F171 HydrophobicContact CE2-CD1 3.73Å; F125-F171 AromaticContact CE2-CD2 3.66Å; F125-F171 HydrophobicContact CE2-CD2 3.66Å; F125-F171 HydrophobicContact CE2-CE1 4.06Å; F125-F171 AromaticContact CE2-CE2 3.99Å; F125-F171 HydrophobicContact CE2-CE2 3.99Å; F125-F171 AromaticContact CE2-CG 3.5Å; F125-F171 HydrophobicContact CE2-CG 3.5Å; F125-F171 VanDerWaalsContact CE2-CG 3.5Å; F125-F171 HydrophobicContact CE2-CZ 4.17Å; F125-F171 HydrophobicContact CZ-CB 4.17Å; F125-F171 HydrophobicContact CZ-CD1 4.39Å; F125-F171 HydrophobicContact CZ-CG 4.18Å; F125-F171 WeakPolarHBondContact CZ-O 3.41Å; F125-I174 HydrophobicContact CD1-CD1 4.44Å; F125-I174 HydrophobicContact CD1-CG2 4.25Å; F125-I174 HydrophobicContact CE1-CB 3.99Å; F125-I174 HydrophobicContact CE1-CD1 4.24Å; F125-I174 HydrophobicContact CE1-CG2 3.81Å
126K98.4Very high98.1Very high112 Ų11244.4 Ų44.449%0.48722%0.218SC..  trans-71.1117.4171-61.5-178.9-172175.80109.5Y128 I140 H141 E142K126-Y128 HydrophobicContact CB-CE2 3.85Å; K126-I140 WeakPolarHBondContact O-CA 3.44Å; K126-H141 PolarHBondContact O-N 3.11Å; K126-E142 PolarHBondContact N-OE1 3.12Å
127Q98.7Very high98.2Very high6 Ų639.7 Ų39.73%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-122.7151.8-177.3-72.3158.794.400110.7F60 F122 F125 H138 Y139 I140F60-Q127 HydrophobicContact CB-CB 4.11Å; F60-Q127 HydrophobicContact CD1-CB 3.79Å; F60-Q127 HydrophobicContact CG-CB 4.46Å; F60-Q127 PolarHBondContact N-O 3.46Å; F122-Q127 PolarHBondContact O-NE2 2.91Å; F125-Q127 PolarHBondContact O-N 3.01Å; F125-Q127 PolarHBondContact O-NE2 2.71Å; F125-Q127 VanDerWaalsContact O-NE2 3.14Å; Q127-H138 PolarHBondContact OE1-NE2 2.9Å; Q127-H138 VanDerWaalsContact OE1-NE2 3.17Å; Q127-Y139 WeakPolarHBondContact CA-O 3.37Å; Q127-I140 HydrophobicContact CG-CB 4.43Å; Q127-I140 HydrophobicContact CG-CG1 3.62Å
128Y98.9Very high98.2Very high47 Ų4734.9 Ų34.918%0.18417%0.171CC..EExtended strand (participates in β ladder)trans-145161.5-174.3-59.5-87000111.1I57 Y58 E59 K126 H138 Y139 H141I57-Y128 HydrophobicContact CG2-CD1 3.71Å; I57-Y128 HydrophobicContact CG2-CG 4.07Å; Y58-Y128 CarbonylContact O-C 3.48Å; Y58-Y128 WeakPolarHBondContact O-CA 3.3Å; Y58-Y128 WeakPolarHBondContact O-CB 3.42Å; E59-Y128 HydrophobicContact CG-CD1 4.17Å; E59-Y128 HydrophobicContact CG-CE1 3.78Å; K126-Y128 HydrophobicContact CB-CE2 3.85Å; Y128-H138 WeakPolarHBondContact O-CA 3.34Å; Y128-Y139 WeakPolarHBondContact CB-OH 3.03Å; Y128-Y139 HydrophobicContact CD2-CE2 4.04Å; Y128-Y139 HydrophobicContact CG-CE2 4.29Å; Y128-Y139 PolarHBondContact N-O 3.04Å; Y128-Y139 PolarHBondContact O-N 3.24Å; Y128-H141 HydrophobicContact CD2-CB 3.75Å; Y128-H141 HydrophobicContact CE2-CB 3.79Å
129K98.8Very high98.2Very high50 Ų5033.1 Ų33.122%0.21716%0.164CC..EExtended strand (participates in β ladder)trans-125.6142164-73.5-170.7171.3-1590110.3Y58 F60 N136 I137 H138 W200Y58-K129 PolarHBondContact N-O 3.2Å; Y58-K129 PolarHBondContact O-N 2.98Å; F60-K129 HydrophobicContact CB-CG 4.37Å; F60-K129 HydrophobicContact CD2-CD 4.23Å; F60-K129 HydrophobicContact CD2-CG 4.37Å; K129-N136 HydrophobicContact CD-CB 4.43Å; K129-I137 WeakPolarHBondContact CA-O 3.43Å; K129-H138 HydrophobicContact CG-CB 4.27Å; K129-W200 WeakPolarHBondContact CE-O 3.49Å; K129-W200 PolarHBondContact NZ-O 2.96Å
130T98.7Very high98.3Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-148.2150169.4-166.50000109.6K56 I132 I137 Y139 L221 R224K56-T130 WeakPolarHBondContact O-CB 3.35Å; K56-T130 PolarHBondContact O-OG1 3.15Å; T130-I132 HydrophobicContact CG2-CD1 4.23Å; T130-I132 HydrophobicContact CG2-CG1 4.26Å; T130-I137 PolarHBondContact N-O 3.26Å; T130-I137 PolarHBondContact O-N 3.11Å; T130-Y139 HydrophobicContact CG2-CE1 3.93Å; T130-L221 HydrophobicContact CG2-CD1 3.7Å; T130-R224 HydrophobicContact CG2-CG 4.22Å; T130-R224 PolarHBondContact OG1-NH1 3.46Å
131E98Very high98.3Very high30 Ų3025.7 Ų25.714%0.1413%0.129CC..EExtended strand (participates in β ladder)trans-82.5124.3-178.2-172.1-176.973.300111.3F51 P53 D54 L135 R224F51-E131 VanDerWaalsContact CE2-CD 3.41Å; F51-E131 HydrophobicContact CE2-CG 4.49Å; F51-E131 WeakPolarHBondContact CE2-OE1 3.43Å; F51-E131 WeakPolarHBondContact CE2-OE2 3.34Å; F51-E131 VanDerWaalsContact CZ-CD 3.43Å; F51-E131 HydrophobicContact CZ-CG 4.21Å; F51-E131 WeakPolarHBondContact CZ-OE1 3.39Å; P53-E131 WeakPolarHBondContact CA-OE1 3.39Å; D54-E131 PolarHBondContact N-OE1 3.31Å; D54-E131 WeakPolarHBondContact O-CB 3.22Å; E131-L135 CarbonylContact C-O 3.58Å; E131-L135 VanDerWaalsContact CA-O 3.32Å; E131-L135 WeakPolarHBondContact CA-O 3.44Å; E131-R224 PolarHBondContact O-NH1 3.28Å; E131-R224 PolarHBondContact O-NH2 3Å; E131-R224 VanDerWaalsContact O-NH2 3.08Å
132I98Very high98.3Very high6 Ų624.7 Ų24.73%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-127.3120.4173.5-54.4-65.2000107.9T130 G134 L135 I137 V217 N220 L221 R224T130-I132 HydrophobicContact CG2-CD1 4.23Å; T130-I132 HydrophobicContact CG2-CG1 4.26Å; I132-G134 PolarHBondContact O-N 3.36Å; I132-G134 VanDerWaalsContact O-N 3.13Å; I132-L135 PolarHBondContact N-O 2.93Å; I132-L135 PolarHBondContact O-N 3.4Å; I132-I137 HydrophobicContact CB-CG1 3.91Å; I132-I137 HydrophobicContact CG1-CG1 4Å; I132-V217 HydrophobicContact CB-CG1 4.25Å; I132-V217 HydrophobicContact CG2-CB 4.38Å; I132-V217 HydrophobicContact CG2-CG1 3.91Å; I132-N220 HydrophobicContact CG2-CB 3.69Å; I132-L221 HydrophobicContact CG1-CB 4.33Å; I132-R224 HydrophobicContact CD1-CB 3.95Å; I132-R224 HydrophobicContact CD1-CG 4.26Å
133Q96.3Very high98.2Very high25 Ų2529.6 Ų29.612%0.11714%0.144CC..THydrogen-bonded Turntrans53.334.6179.1-69.7167.5-113.100113.4T41 W43 G44 N220T41-Q133 WeakPolarHBondContact O-CB 3.44Å; T41-Q133 WeakPolarHBondContact O-CG 3.35Å; T41-Q133 PolarHBondContact O-NE2 3.13Å; W43-Q133 PolarHBondContact N-O 3.05Å; G44-Q133 PolarHBondContact N-O 2.86Å; Q133-N220 PolarHBondContact OE1-ND2 2.9Å
134G96.7Very high98.1Very high3 Ų328.5 Ų28.53%0.03114%0.139CC..THydrogen-bonded Turntrans82.96.7-179.300000115.8G44 I132G44-G134 WeakPolarHBondContact CA-O 3.32Å; I132-G134 PolarHBondContact O-N 3.36Å; I132-G134 VanDerWaalsContact O-N 3.13Å
135L98.1Very high97.9Very high1 Ų126.9 Ų26.91%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-113.3131.1179.5-60.1174.1000109.5W43 E131 I132 I137 V196 D202 A203 F209W43-L135 HydrophobicContact CB-CD1 3.56Å; W43-L135 HydrophobicContact CB-CD2 4.18Å; W43-L135 HydrophobicContact CB-CG 3.82Å; W43-L135 HydrophobicContact CG-CD1 4.41Å; E131-L135 CarbonylContact C-O 3.58Å; E131-L135 VanDerWaalsContact CA-O 3.32Å; E131-L135 WeakPolarHBondContact CA-O 3.44Å; I132-L135 PolarHBondContact N-O 2.93Å; I132-L135 PolarHBondContact O-N 3.4Å; L135-I137 HydrophobicContact CB-CD1 3.68Å; L135-I137 HydrophobicContact CD1-CD1 4.5Å; L135-I137 PolarHBondContact O-N 3.41Å; L135-V196 HydrophobicContact CD1-CB 4.43Å; L135-V196 HydrophobicContact CD1-CG1 3.65Å; L135-V196 HydrophobicContact CD1-CG2 3.84Å; L135-D202 HydrophobicContact CB-CB 4.24Å; L135-D202 HydrophobicContact CD2-CB 4.02Å; L135-A203 WeakPolarHBondContact CD2-O 3.44Å; L135-F209 HydrophobicContact CD1-CE2 4.08Å
136N98.4Very high97.6Very high57 Ų5731.7 Ų31.731%0.30515%0.15SC..EExtended strand (participates in β ladder)trans-74.8105.9169.3-62.8-78.7000109.2K129 D202K129-N136 HydrophobicContact CD-CB 4.43Å; N136-D202 VanDerWaalsContact CB-OD2 3.24Å; N136-D202 WeakPolarHBondContact CB-OD2 3.35Å; N136-D202 PolarHBondContact N-OD2 3.14Å; N136-D202 PolarHBondContact ND2-OD2 3.02Å; N136-D202 PolarHBondContact O-N 3.49Å
137I98.9Very high97.2Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-91.6118.6-179.2-52.7-52.2000109K129 T130 I132 L135 P193 V196 V217 L221K129-I137 WeakPolarHBondContact CA-O 3.43Å; T130-I137 PolarHBondContact N-O 3.26Å; T130-I137 PolarHBondContact O-N 3.11Å; I132-I137 HydrophobicContact CB-CG1 3.91Å; I132-I137 HydrophobicContact CG1-CG1 4Å; L135-I137 HydrophobicContact CB-CD1 3.68Å; L135-I137 HydrophobicContact CD1-CD1 4.5Å; L135-I137 PolarHBondContact O-N 3.41Å; I137-P193 HydrophobicContact CG2-CB 4.31Å; I137-V196 HydrophobicContact CD1-CG2 3.65Å; I137-V217 HydrophobicContact CD1-CG1 3.88Å; I137-V217 HydrophobicContact CG1-CG1 3.94Å; I137-L221 HydrophobicContact CG2-CD2 4.06Å
138H98.9Very high96.8Very high0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-79.3139.2170.1166.8-99.3000110.8F60 Q127 Y128 K129 P193 S194 W200 S201F60-H138 AromaticContact CD1-CD2 3.57Å; F60-H138 AromaticContact CD1-NE2 3.69Å; F60-H138 AromaticContact CE1-CD2 3.93Å; F60-H138 AromaticContact CE1-NE2 3.95Å; Q127-H138 PolarHBondContact OE1-NE2 2.9Å; Q127-H138 VanDerWaalsContact OE1-NE2 3.17Å; Y128-H138 WeakPolarHBondContact O-CA 3.34Å; K129-H138 HydrophobicContact CG-CB 4.27Å; H138-P193 CarbonylContact O-C 3.55Å; H138-P193 VanDerWaalsContact O-CA 3.28Å; H138-P193 WeakPolarHBondContact O-CA 3.39Å; H138-S194 PolarHBondContact ND1-OG 2.99Å; H138-S194 PolarHBondContact O-N 2.93Å; H138-W200 HydrophobicContact CB-CB 3.77Å; H138-W200 AromaticContact CE1-CE3 3.54Å; H138-W200 AromaticContact ND1-CE3 3.72Å; H138-S201 PolarHBondContact N-OG 3.13Å; H138-S201 PolarHBondContact O-OG 2.87Å
139Y98.9Very high96.5Very high1 Ų134 Ų340%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-153.9147.7172.261.7-77.4000112.8I57 Q127 Y128 T130 H141 V191 A192 L221 L225I57-Y139 WeakPolarHBondContact CG2-OH 3.33Å; Q127-Y139 WeakPolarHBondContact CA-O 3.37Å; Y128-Y139 WeakPolarHBondContact CB-OH 3.03Å; Y128-Y139 HydrophobicContact CD2-CE2 4.04Å; Y128-Y139 HydrophobicContact CG-CE2 4.29Å; Y128-Y139 PolarHBondContact N-O 3.04Å; Y128-Y139 PolarHBondContact O-N 3.24Å; T130-Y139 HydrophobicContact CG2-CE1 3.93Å; Y139-H141 HydrophobicContact CD2-CB 3.87Å; Y139-H141 HydrophobicContact CE2-CB 3.72Å; Y139-V191 HydrophobicContact CD2-CG1 3.88Å; Y139-V191 HydrophobicContact CG-CG1 4.35Å; Y139-A192 WeakPolarHBondContact CA-O 3.44Å; Y139-L221 HydrophobicContact CD1-CD1 3.86Å; Y139-L221 HydrophobicContact CD1-CD2 4.36Å; Y139-L221 HydrophobicContact CE1-CD1 3.85Å; Y139-L221 HydrophobicContact CG-CD1 4.41Å; Y139-L221 HydrophobicContact CG-CD2 4.32Å; Y139-L225 HydrophobicContact CD2-CD1 4.23Å; Y139-L225 HydrophobicContact CE2-CD1 3.72Å; Y139-L225 HydrophobicContact CE2-CD2 3.96Å; Y139-L225 HydrophobicContact CE2-CG 4.48Å; Y139-L225 VanDerWaalsContact OH-CD2 3.24Å; Y139-L225 WeakPolarHBondContact OH-CD2 3.49Å
140I98.9Very high96.1Very high0 Ų039.2 Ų39.20%019%0.188CC..EExtended strand (participates in β ladder)trans-78.3136.3161.2-64.8166.6000108.1F125 K126 Q127 E142 V167 F171 I174 V191 A192F125-I140 HydrophobicContact CB-CD1 4.32Å; F125-I140 HydrophobicContact CB-CG1 4.24Å; F125-I140 HydrophobicContact CB-CG2 3.89Å; F125-I140 HydrophobicContact CD1-CG2 4.19Å; F125-I140 HydrophobicContact CG-CD1 4.37Å; F125-I140 HydrophobicContact CG-CG2 4.28Å; K126-I140 WeakPolarHBondContact O-CA 3.44Å; Q127-I140 HydrophobicContact CG-CB 4.43Å; Q127-I140 HydrophobicContact CG-CG1 3.62Å; I140-E142 HydrophobicContact CG2-CG 3.98Å; I140-V167 HydrophobicContact CD1-CB 4.1Å; I140-V167 HydrophobicContact CD1-CG2 4.27Å; I140-F171 HydrophobicContact CD1-CE1 3.88Å; I140-I174 HydrophobicContact CD1-CD1 4.2Å; I140-I174 HydrophobicContact CG2-CD1 4.08Å; I140-V191 CarbonylContact O-C 3.57Å; I140-V191 WeakPolarHBondContact O-CA 3.17Å; I140-A192 HydrophobicContact CB-CB 4.26Å; I140-A192 PolarHBondContact N-O 3.25Å; I140-A192 PolarHBondContact O-N 2.87Å
141H98.8Very high95.7Very high16 Ų1644.8 Ų44.87%0.07421%0.212CC..EExtended strand (participates in β ladder)trans-131.695.9173.4-170.6-177.9000111.1K126 Y128 Y139 K143 E189 V190 H227K126-H141 PolarHBondContact O-N 3.11Å; Y128-H141 HydrophobicContact CD2-CB 3.75Å; Y128-H141 HydrophobicContact CE2-CB 3.79Å; Y139-H141 HydrophobicContact CD2-CB 3.87Å; Y139-H141 HydrophobicContact CE2-CB 3.72Å; H141-K143 PolarHBondContact CE1-NZ 3.22Å; H141-K143 VanDerWaalsContact CE1-NZ 3.33Å; H141-K143 PolarHBondContact NE2-NZ 2.84Å; H141-E189 IonicContact CD2-OE1 3.12Å; H141-E189 IonicContact CE1-OE1 3.4Å; H141-E189 PolarHBondContact CE1-OE1 3.19Å; H141-E189 IonicContact NE2-OE1 2.71Å; H141-E189 PolarHBondContact NE2-OE1 3.33Å; H141-V190 CarbonylContact C-O 3.59Å; H141-V190 WeakPolarHBondContact CA-O 3.35Å; H141-H227 AromaticContact NE2-NE2 3.97Å
142E98.2Very high95.4Very high29 Ų2944.8 Ų44.814%0.13621%0.212CC..EExtended strand (participates in β ladder)trans-100.6122.1177.3-73.6-58.5152.100111.4F125 K126 I140 I174 T178 V190F125-E142 VanDerWaalsContact CA-OE1 3.28Å; F125-E142 WeakPolarHBondContact CA-OE1 3.27Å; F125-E142 HydrophobicContact CD1-CG 3.79Å; F125-E142 HydrophobicContact CE1-CG 4.48Å; K126-E142 PolarHBondContact N-OE1 3.12Å; I140-E142 HydrophobicContact CG2-CG 3.98Å; E142-I174 HydrophobicContact CB-CG2 3.84Å; E142-I174 HydrophobicContact CG-CG2 3.7Å; E142-T178 HydrophobicContact CB-CG2 3.78Å; E142-V190 PolarHBondContact N-O 3.19Å; E142-V190 PolarHBondContact O-N 2.96Å
143K96.9Very high95.2Very high103 Ų10347.9 Ų47.945%0.44823%0.226SC..PPolyproline II helixtrans-79.4152.8172.1-56.9-63.2-172.5167.90109.2H141 E189H141-K143 PolarHBondContact CE1-NZ 3.22Å; H141-K143 VanDerWaalsContact CE1-NZ 3.33Å; H141-K143 PolarHBondContact NE2-NZ 2.84Å; K143-E189 VanDerWaalsContact CD-CD 3.45Å; K143-E189 HydrophobicContact CD-CG 3.82Å; K143-E189 WeakPolarHBondContact CD-OE1 3.37Å; K143-E189 WeakPolarHBondContact CE-OE1 3.49Å; K143-E189 IonicContact NZ-OE1 2.58Å; K143-E189 PolarHBondContact NZ-OE1 3.05Å; K143-E189 IonicContact NZ-OE2 3.7Å
144V96.4Very high95.2Very high14 Ų1449.2 Ų49.29%0.08524%0.236CC..PPolyproline II helixtrans-60151.5170.5-66.80000111.3A148 K149 V154 T178 A187 F188V144-A148 HydrophobicContact CB-CB 4.25Å; V144-K149 HydrophobicContact CG2-CB 3.97Å; V144-K149 HydrophobicContact CG2-CG 4.39Å; V144-V154 HydrophobicContact CB-CG1 4.49Å; V144-V154 HydrophobicContact CG1-CG1 3.77Å; V144-V154 HydrophobicContact CG1-CG2 4.29Å; V144-V154 HydrophobicContact CG2-CG1 3.86Å; V144-V154 HydrophobicContact CG2-CG2 3.91Å; V144-T178 WeakPolarHBondContact CA-O 3.33Å; V144-A187 HydrophobicContact CG1-CB 3.83Å; V144-F188 VanDerWaalsContact CG1-O 3.27Å; V144-F188 WeakPolarHBondContact CG1-O 3.39Å
145S92.9Very high95.2Very high42 Ų4250.8 Ų50.829%0.29424%0.241SC..PPolyproline II helixtrans-64.1152.5171.671.80000111.1E147 A148 K149 T178S145-E147 PolarHBondContact O-N 2.93Å; S145-A148 PolarHBondContact O-N 3.09Å; S145-A148 WeakPolarHBondContact OG-CB 3.27Å; S145-A148 PolarHBondContact OG-N 2.9Å; S145-K149 PolarHBondContact O-N 2.94Å; S145-T178 PolarHBondContact N-O 3.18Å
146E91.3Very high95.2Very high123 Ų12351.8 Ų51.858%0.57525%0.248SC*.Hα-helixtrans-57.3-37.4177.5-66.9-56.9133.700111.7A148 K149 E150E146-A148 PolarHBondContact O-N 3.28Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.29Å; E146-K149 IonicContact OE1-NZ 3.98Å; E146-K149 IonicContact OE2-NZ 3.69Å; E146-E150 PolarHBondContact O-N 3.38Å; E146-E150 VanDerWaalsContact O-N 3.14Å
147E89.9Confident95.2Very high91 Ų9149.1 Ų49.143%0.42523%0.233SC..Hα-helixtrans-61.2-43.9173.8-179177.5-160.700112.7S145 K149 E150 K151 H180S145-E147 PolarHBondContact O-N 2.93Å; E147-K149 VanDerWaalsContact C-N 3.33Å; E147-E150 PolarHBondContact O-N 2.9Å; E147-K151 HydrophobicContact CG-CD 3.97Å; E147-K151 WeakPolarHBondContact O-CB 3.5Å; E147-K151 WeakPolarHBondContact O-CG 3.32Å; E147-K151 PolarHBondContact O-N 3.17Å; E147-K151 IonicContact OE1-NZ 2.73Å; E147-K151 PolarHBondContact OE1-NZ 3.4Å; E147-H180 HydrophobicContact CG-CB 3.99Å; E147-H180 IonicContact OE1-ND1 2.78Å
148A90.6Very high95.3Very high0 Ų049.1 Ų49.10%023%0.233CC..Hα-helixtrans-66.6-38.7177.900000111V144 S145 E146 E150 K151 K152 H180 A187V144-A148 HydrophobicContact CB-CB 4.25Å; S145-A148 PolarHBondContact O-N 3.09Å; S145-A148 WeakPolarHBondContact OG-CB 3.27Å; S145-A148 PolarHBondContact OG-N 2.9Å; E146-A148 PolarHBondContact O-N 3.28Å; A148-E150 VanDerWaalsContact C-N 3.27Å; A148-E150 PolarHBondContact O-N 3.37Å; A148-K151 PolarHBondContact O-N 3.19Å; A148-K152 HydrophobicContact CB-CG 4.47Å; A148-K152 WeakPolarHBondContact O-CA 3.43Å; A148-K152 WeakPolarHBondContact O-CB 3.4Å; A148-K152 PolarHBondContact O-N 3.47Å; A148-H180 HydrophobicContact CB-CB 4.32Å; A148-A187 HydrophobicContact CB-CB 3.9Å
149K91.9Very high95.3Very high122 Ų12249.1 Ų49.153%0.5323%0.233SC..Hα-helixtrans-60.8-33.7178.1-168.5-179.6175.3-171.80113.2V144 S145 E146 E147V144-K149 HydrophobicContact CG2-CB 3.97Å; V144-K149 HydrophobicContact CG2-CG 4.39Å; S145-K149 PolarHBondContact O-N 2.94Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.29Å; E146-K149 IonicContact OE1-NZ 3.98Å; E146-K149 IonicContact OE2-NZ 3.69Å; E147-K149 VanDerWaalsContact C-N 3.33Å
150E90.7Very high95.3Very high160 Ų16049 Ų4975%0.74823%0.233SC*.Hα-helixtrans-80-32.4177.1-70.4179176.400113.3E146 E147 A148E146-E150 PolarHBondContact O-N 3.38Å; E146-E150 VanDerWaalsContact O-N 3.14Å; E147-E150 PolarHBondContact O-N 2.9Å; A148-E150 VanDerWaalsContact C-N 3.27Å; A148-E150 PolarHBondContact O-N 3.37Å
151K90.4Very high95.2Very high118 Ų11849.2 Ų49.251%0.51323%0.234SC..Hα-helixtrans-108.3-10.5-167.6-64179.7-175.51740114.9E147 A148E147-K151 HydrophobicContact CG-CD 3.97Å; E147-K151 WeakPolarHBondContact O-CB 3.5Å; E147-K151 WeakPolarHBondContact O-CG 3.32Å; E147-K151 PolarHBondContact O-N 3.17Å; E147-K151 IonicContact OE1-NZ 2.73Å; E147-K151 PolarHBondContact OE1-NZ 3.4Å; A148-K151 PolarHBondContact O-N 3.19Å
152K92.2Very high95.2Very high29 Ų2948.6 Ų48.613%0.12623%0.231CC..SBendtrans-130.6158.1-169.5-54.8-67.8169.1-179.80112A148 V154 H180 S181 T184 D185 A187A148-K152 HydrophobicContact CB-CG 4.47Å; A148-K152 WeakPolarHBondContact O-CA 3.43Å; A148-K152 WeakPolarHBondContact O-CB 3.4Å; A148-K152 PolarHBondContact O-N 3.47Å; K152-V154 PolarHBondContact O-N 3.31Å; K152-H180 WeakPolarHBondContact CE-CD2 3.3Å; K152-H180 WeakPolarHBondContact CE-NE2 3.44Å; K152-S181 VanDerWaalsContact CE-O 3.27Å; K152-S181 WeakPolarHBondContact CE-O 3.4Å; K152-S181 PolarHBondContact NZ-O 2.97Å; K152-T184 WeakPolarHBondContact CD-O 3.48Å; K152-T184 WeakPolarHBondContact CE-O 3.4Å; K152-T184 PolarHBondContact NZ-O 3.11Å; K152-D185 CarbonylContact C-O 3.37Å; K152-D185 WeakPolarHBondContact CA-O 3.31Å; K152-D185 WeakPolarHBondContact CB-O 3.45Å; K152-D185 WeakPolarHBondContact CD-O 3.34Å; K152-D185 IonicContact NZ-OD1 3.23Å; K152-A187 HydrophobicContact CB-CB 3.85Å; K152-A187 HydrophobicContact CG-CB 4.29Å
153H93.4Very high95.3Very high72 Ų7247.7 Ų47.733%0.33323%0.227SC..EExtended strand (participates in β ladder)trans-78.1113.1168.1-61.8-53.4000109.6Y155 D185 Y186 A187 H463H153-Y155 HydrophobicContact CB-CD2 4.47Å; H153-Y155 HydrophobicContact CB-CE2 3.86Å; H153-D185 PolarHBondContact N-O 3.32Å; H153-Y186 HydrophobicContact CB-CD1 3.83Å; H153-Y186 HydrophobicContact CB-CE1 4.09Å; H153-Y186 WeakPolarHBondContact O-CA 3.36Å; H153-A187 PolarHBondContact O-N 2.92Å; H153-H463 VanDerWaalsContact CB-NE2 3.35Å; H153-H463 WeakPolarHBondContact CB-NE2 3.41Å; H153-H463 AromaticContact CD2-CD2 3.23Å; H153-H463 PolarHBondContact CD2-CD2 3.31Å; H153-H463 AromaticContact CD2-CG 3.86Å; H153-H463 AromaticContact CD2-NE2 3.64Å; H153-H463 AromaticContact CE1-CD2 3.77Å; H153-H463 AromaticContact CE1-CE1 3.88Å; H153-H463 AromaticContact CE1-CG 3.76Å; H153-H463 AromaticContact CE1-ND1 3.84Å; H153-H463 AromaticContact CE1-NE2 3.86Å; H153-H463 AromaticContact CG-CD2 3.29Å; H153-H463 AromaticContact CG-CE1 3.83Å; H153-H463 AromaticContact CG-NE2 3.14Å; H153-H463 AromaticContact ND1-CD2 3.64Å; H153-H463 AromaticContact ND1-CE1 3.51Å; H153-H463 AromaticContact ND1-ND1 3.93Å; H153-H463 AromaticContact ND1-NE2 3.31Å; H153-H463 PolarHBondContact ND1-NE2 3.32Å; H153-H463 AromaticContact NE2-CD2 3.54Å; H153-H463 AromaticContact NE2-CG 3.66Å
154V95.8Very high95.3Very high52 Ų5243 Ų4332%0.31521%0.207SC..EExtended strand (participates in β ladder)trans-94.1127.3-174.6-178.60000110.8V144 K152 A187V144-V154 HydrophobicContact CB-CG1 4.49Å; V144-V154 HydrophobicContact CG1-CG1 3.77Å; V144-V154 HydrophobicContact CG1-CG2 4.29Å; V144-V154 HydrophobicContact CG2-CG1 3.86Å; V144-V154 HydrophobicContact CG2-CG2 3.91Å; K152-V154 PolarHBondContact O-N 3.31Å; V154-A187 VanDerWaalsContact CA-O 3.3Å; V154-A187 WeakPolarHBondContact CA-O 3.35Å
155Y97.5Very high95.4Very high37 Ų3742.3 Ų42.315%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-130.6145.1176.9-70.9-79.6000112.5H153 Y186 A187 F188 E189 F231 I254 L462 H463H153-Y155 HydrophobicContact CB-CD2 4.47Å; H153-Y155 HydrophobicContact CB-CE2 3.86Å; Y155-Y186 HydrophobicContact CD2-CD1 4.04Å; Y155-Y186 AromaticContact CE2-CD1 3.85Å; Y155-Y186 HydrophobicContact CE2-CD1 3.85Å; Y155-Y186 AromaticContact CE2-CE1 3.97Å; Y155-Y186 HydrophobicContact CE2-CE1 3.97Å; Y155-A187 PolarHBondContact N-O 2.9Å; Y155-F188 CarbonylContact O-C 3.59Å; Y155-F188 WeakPolarHBondContact O-CA 3.47Å; Y155-E189 PolarHBondContact O-N 3.5Å; Y155-F231 HydrophobicContact CD1-CE2 4.17Å; Y155-F231 HydrophobicContact CD2-CE2 4.23Å; Y155-F231 HydrophobicContact CG-CD2 4.26Å; Y155-F231 AromaticContact CG-CE2 3.82Å; Y155-F231 HydrophobicContact CG-CE2 3.82Å; Y155-I254 HydrophobicContact CD1-CD1 3.8Å; Y155-I254 HydrophobicContact CE1-CD1 4.34Å; Y155-L462 HydrophobicContact CD1-CD1 4.4Å; Y155-L462 HydrophobicContact CE1-CD1 3.76Å; Y155-L462 HydrophobicContact CE2-CD1 3.94Å; Y155-L462 VanDerWaalsContact CZ-CD1 3.5Å; Y155-L462 WeakPolarHBondContact OH-CB 3.25Å; Y155-H463 AromaticContact CE2-NE2 3.59Å; Y155-H463 AromaticContact CZ-NE2 3.49Å; Y155-H463 PolarHBondContact OH-CE1 3.4Å; Y155-H463 PolarHBondContact OH-NE2 3.38Å
156P98.6Very high95.7Very high22 Ų2240.4 Ų40.414%0.14319%0.189CC..EExtended strand (participates in β ladder)trans-70.5138.8170.3-12.327.8000110.9E189 M222 H227 F230 F231P156-E189 CarbonylContact C-O 3.58Å; P156-E189 WeakPolarHBondContact CA-O 3.28Å; P156-M222 HydrophobicContact CB-CE 4.13Å; P156-H227 HydrophobicContact CB-CB 4.08Å; P156-H227 HydrophobicContact CG-CB 4.19Å; P156-H227 VanDerWaalsContact CG-ND1 3.32Å; P156-H227 WeakPolarHBondContact CG-ND1 3.44Å; P156-F230 HydrophobicContact CB-CB 3.92Å; P156-F230 WeakPolarHBondContact O-CA 3.45Å; P156-F231 PolarHBondContact O-N 2.8Å
157L98.9Very high96.1Very high0 Ų034.5 Ų34.50%016%0.162CC..EExtended strand (participates in β ladder)trans-131.9123.8179.7172.458.6000110.3L159 L177 F188 E189 V190 V191 F231 Q233 F453L157-L159 HydrophobicContact CD1-CD2 4.06Å; L157-L159 HydrophobicContact CD2-CD2 3.67Å; L157-L159 HydrophobicContact CD2-CG 4.33Å; L157-L159 HydrophobicContact CG-CD2 3.73Å; L157-L159 HydrophobicContact CG-CG 4.2Å; L157-L177 HydrophobicContact CD2-CD1 3.82Å; L157-L177 HydrophobicContact CD2-CD2 3.9Å; L157-L177 HydrophobicContact CD2-CG 4.42Å; L157-F188 HydrophobicContact CB-CB 3.9Å; L157-F188 HydrophobicContact CB-CD1 4.09Å; L157-F188 HydrophobicContact CB-CG 4.28Å; L157-F188 HydrophobicContact CD2-CB 4.02Å; L157-F188 HydrophobicContact CD2-CD1 4.28Å; L157-F188 HydrophobicContact CD2-CG 4.04Å; L157-E189 PolarHBondContact N-O 2.94Å; L157-V190 HydrophobicContact CD2-CG2 4.45Å; L157-V191 PolarHBondContact O-N 3.07Å; L157-F231 HydrophobicContact CD1-CB 3.7Å; L157-Q233 HydrophobicContact CD1-CB 4.02Å; L157-F453 HydrophobicContact CD1-CE1 4.34Å; L157-F453 HydrophobicContact CD1-CE2 4.23Å; L157-F453 HydrophobicContact CD1-CZ 3.69Å; L157-F453 HydrophobicContact CD2-CD1 4.49Å; L157-F453 HydrophobicContact CD2-CE1 3.62Å; L157-F453 HydrophobicContact CD2-CZ 3.84Å; L157-F453 HydrophobicContact CG-CZ 4.36Å
158L98.9Very high96.5Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-91.8116.7169.3177.965000109.6L160 V191 P193 M218 M222 F230 F231 I232 Q233 L245L158-L160 HydrophobicContact CD1-CD2 3.96Å; L158-L160 HydrophobicContact CD2-CD1 4.21Å; L158-L160 HydrophobicContact CD2-CD2 4.09Å; L158-L160 HydrophobicContact CD2-CG 4.28Å; L158-L160 HydrophobicContact CG-CD1 4.46Å; L158-L160 HydrophobicContact CG-CD2 3.87Å; L158-L160 HydrophobicContact CG-CG 4.02Å; L158-V191 WeakPolarHBondContact CA-O 3.28Å; L158-V191 HydrophobicContact CD1-CG1 4.5Å; L158-P193 HydrophobicContact CD1-CG 3.85Å; L158-M218 HydrophobicContact CD2-CB 3.98Å; L158-M222 HydrophobicContact CB-CE 4.26Å; L158-M222 HydrophobicContact CB-CG 4.41Å; L158-M222 HydrophobicContact CB-SD 4.17Å; L158-M222 HydrophobicContact CD1-CG 4.3Å; L158-M222 HydrophobicContact CD1-SD 4.06Å; L158-M222 HydrophobicContact CD2-CG 4.29Å; L158-F230 HydrophobicContact CB-CD2 4.09Å; L158-F230 HydrophobicContact CB-CE2 4.37Å; L158-F230 HydrophobicContact CD2-CE2 4.01Å; L158-F231 PolarHBondContact N-O 3.01Å; L158-I232 WeakPolarHBondContact O-CA 3.3Å; L158-Q233 PolarHBondContact O-N 2.84Å; L158-L245 HydrophobicContact CD2-CD1 4.09Å
159L98.9Very high96.9Very high0 Ų031.9 Ų31.90%015%0.149CC..EExtended strand (participates in β ladder)trans-99.8125.5174.2-64.4-173.3000110.6L157 F170 F173 I174 L177 V190 V191 A192 P193 Q233L157-L159 HydrophobicContact CD1-CD2 4.06Å; L157-L159 HydrophobicContact CD2-CD2 3.67Å; L157-L159 HydrophobicContact CD2-CG 4.33Å; L157-L159 HydrophobicContact CG-CD2 3.73Å; L157-L159 HydrophobicContact CG-CG 4.2Å; L159-F170 HydrophobicContact CB-CD2 4.27Å; L159-F170 HydrophobicContact CB-CE2 4.07Å; L159-F170 HydrophobicContact CB-CZ 4.21Å; L159-F170 HydrophobicContact CD1-CB 4.25Å; L159-F170 HydrophobicContact CD1-CD1 4.23Å; L159-F170 HydrophobicContact CD1-CD2 4.49Å; L159-F170 HydrophobicContact CD1-CG 4.09Å; L159-F173 HydrophobicContact CD1-CD1 4Å; L159-F173 HydrophobicContact CD1-CE1 4.28Å; L159-F173 HydrophobicContact CD2-CE1 3.99Å; L159-I174 HydrophobicContact CD1-CG1 4.11Å; L159-L177 HydrophobicContact CD1-CD1 3.86Å; L159-L177 HydrophobicContact CD2-CD1 4.32Å; L159-V190 HydrophobicContact CD1-CG1 3.58Å; L159-V190 HydrophobicContact CG-CG1 3.82Å; L159-V191 PolarHBondContact N-O 3.16Å; L159-A192 HydrophobicContact CB-CB 4.01Å; L159-P193 WeakPolarHBondContact O-CD 3.24Å; L159-Q233 WeakPolarHBondContact CA-O 3.13Å; L159-Q233 HydrophobicContact CD2-CB 3.74Å; L159-Q233 HydrophobicContact CD2-CG 4.41Å
160L98.9Very high97.2Very high0 Ų026.3 Ų26.30%013%0.125CC..EExtended strand (participates in β ladder)trans-119.6119-176.4-59.6173.8000110.8L158 P193 L195 M218 I232 Q233 G234 G238 I241L158-L160 HydrophobicContact CD1-CD2 3.96Å; L158-L160 HydrophobicContact CD2-CD1 4.21Å; L158-L160 HydrophobicContact CD2-CD2 4.09Å; L158-L160 HydrophobicContact CD2-CG 4.28Å; L158-L160 HydrophobicContact CG-CD1 4.46Å; L158-L160 HydrophobicContact CG-CD2 3.87Å; L158-L160 HydrophobicContact CG-CG 4.02Å; L160-P193 HydrophobicContact CD2-CG 3.99Å; L160-L195 HydrophobicContact CD2-CD2 4.29Å; L160-M218 HydrophobicContact CD2-CG 3.98Å; L160-M218 HydrophobicContact CD2-SD 4.25Å; L160-I232 HydrophobicContact CD1-CG2 3.91Å; L160-Q233 PolarHBondContact N-O 3.24Å; L160-G234 VanDerWaalsContact O-CA 3.3Å; L160-G234 WeakPolarHBondContact O-CA 3.1Å; L160-G238 VanDerWaalsContact CB-CA 3.42Å; L160-I241 HydrophobicContact CD1-CB 4.07Å; L160-I241 HydrophobicContact CD1-CG2 3.75Å
161H98.9Very high97.6Very high3 Ų319 Ų191%0.0149%0.09CC..  trans-82.4-178.3175.172.783.5000111.3F170 P193 L195 Y198 G238H161-F170 HydrophobicContact CB-CE2 3.71Å; H161-F170 HydrophobicContact CB-CZ 3.73Å; H161-P193 PolarHBondContact CD2-O 2.82Å; H161-L195 PolarHBondContact NE2-N 3.4Å; H161-L195 VanDerWaalsContact NE2-N 3.11Å; H161-L195 WeakPolarHBondContact O-CD1 3.32Å; H161-Y198 AromaticContact CE1-CD1 3.81Å; H161-Y198 AromaticContact CE1-CG 3.99Å; H161-G238 WeakPolarHBondContact O-CA 3.28Å; H161-G238 PolarHBondContact O-N 2.83Å; H161-G238 VanDerWaalsContact O-N 3.11Å
162G98.6Very high97.9Very high3 Ų317.4 Ų17.43%0.0319%0.088CC..  trans-133.7-145.8172.200000114.1G165 D236G162-G165 CarbonylContact O-C 3.59Å; G162-G165 PolarHBondContact O-N 2.96Å; G162-D236 WeakPolarHBondContact CA-OD1 3.4Å
163W98.8Very high98.1Very high11 Ų1116 Ų164%0.0428%0.082CC..SBendtrans-122.6143.3179.8-179.992.7000110.6G165 Y198 D236 Y308 Y333 K337 Y382W163-G165 VanDerWaalsContact CA-N 3.27Å; W163-Y198 HydrophobicContact CB-CE1 3.91Å; W163-Y198 AromaticContact CD1-CE1 3.85Å; W163-Y198 HydrophobicContact CG-CE1 4.32Å; W163-D236 PolarHBondContact N-OD1 3.42Å; W163-Y308 HydrophobicContact CD2-CE2 4.42Å; W163-Y308 AromaticContact CE3-CD2 3.81Å; W163-Y308 HydrophobicContact CE3-CD2 3.81Å; W163-Y308 AromaticContact CE3-CE2 3.38Å; W163-Y308 HydrophobicContact CE3-CE2 3.38Å; W163-Y308 AromaticContact CH2-CD2 3.41Å; W163-Y308 HydrophobicContact CH2-CD2 3.41Å; W163-Y308 VanDerWaalsContact CH2-CD2 3.41Å; W163-Y308 AromaticContact CH2-CE2 3.9Å; W163-Y308 HydrophobicContact CH2-CE2 3.9Å; W163-Y308 AromaticContact CH2-CG 3.99Å; W163-Y308 HydrophobicContact CH2-CG 3.99Å; W163-Y308 HydrophobicContact CZ2-CD2 4.34Å; W163-Y308 HydrophobicContact CZ3-CD1 4.45Å; W163-Y308 AromaticContact CZ3-CD2 3.08Å; W163-Y308 HydrophobicContact CZ3-CD2 3.08Å; W163-Y308 HydrophobicContact CZ3-CE1 4.42Å; W163-Y308 AromaticContact CZ3-CE2 3.06Å; W163-Y308 HydrophobicContact CZ3-CE2 3.06Å; W163-Y308 AromaticContact CZ3-CG 3.83Å; W163-Y308 HydrophobicContact CZ3-CG 3.83Å; W163-Y308 AromaticContact CZ3-CZ 3.77Å; W163-Y333 HydrophobicContact CH2-CD1 4.33Å; W163-Y333 AromaticContact CH2-CE1 3.85Å; W163-Y333 HydrophobicContact CH2-CE1 3.85Å; W163-Y333 AromaticContact CZ2-CD1 3.98Å; W163-Y333 HydrophobicContact CZ2-CD1 3.98Å; W163-Y333 AromaticContact CZ2-CE1 3.54Å; W163-Y333 HydrophobicContact CZ2-CE1 3.54Å; W163-K337 HydrophobicContact CH2-CG 4.02Å; W163-K337 HydrophobicContact CZ3-CD 4.48Å; W163-K337 HydrophobicContact CZ3-CG 3.91Å; W163-Y382 HydrophobicContact CB-CE2 4.07Å; W163-Y382 VanDerWaalsContact CB-OH 3.23Å; W163-Y382 WeakPolarHBondContact CB-OH 3.27Å; W163-Y382 HydrophobicContact CD2-CE2 4.03Å; W163-Y382 AromaticContact CD2-CZ 3.93Å; W163-Y382 VanDerWaalsContact CD2-OH 3.23Å; W163-Y382 AromaticContact CE3-CZ 3.95Å; W163-Y382 AromaticContact CG-CE2 3.81Å; W163-Y382 HydrophobicContact CG-CE2 3.81Å
164P98.4Very high98.4Very high3 Ų312.7 Ų12.72%0.0197%0.066CC..SBendcis-83.732.6-3.734.9-33.4000112.2I334 K337 F338 N365 Y369 F440P164-I334 HydrophobicContact CB-CG1 4.15Å; P164-I334 HydrophobicContact CB-CG2 4.21Å; P164-I334 HydrophobicContact CG-CG2 4.4Å; P164-K337 HydrophobicContact CG-CB 3.72Å; P164-K337 HydrophobicContact CG-CG 4.07Å; P164-F338 HydrophobicContact CG-CE2 4.47Å; P164-N365 PolarHBondContact O-ND2 3.05Å; P164-Y369 VanDerWaalsContact C-OH 3.27Å; P164-Y369 WeakPolarHBondContact O-CE2 3.18Å; P164-Y369 PolarHBondContact O-OH 3.5Å; P164-F440 HydrophobicContact CG-CZ 4.45Å
165G98.6Very high98.4Very high0 Ų012 Ų120%06%0.063CC..  trans-79.2-172.5177.600000114.7G162 W163 E169 N365 Y369G162-G165 CarbonylContact O-C 3.59Å; G162-G165 PolarHBondContact O-N 2.96Å; W163-G165 VanDerWaalsContact CA-N 3.27Å; G165-E169 WeakPolarHBondContact CA-OE1 3.25Å; G165-N365 VanDerWaalsContact C-OD1 3.29Å; G165-Y369 VanDerWaalsContact O-CE2 3.32Å; G165-Y369 WeakPolarHBondContact O-CE2 3.37Å; G165-Y369 PolarHBondContact O-OH 3.27Å
166S98.9Very high98.4Very high2 Ų213.4 Ų13.41%0.0147%0.072CC..  trans-164.6-179.818068.80000110.1R168 E169 N365S166-R168 PolarHBondContact O-N 3.47Å; S166-R168 VanDerWaalsContact OG-CB 3.31Å; S166-R168 WeakPolarHBondContact OG-CB 3.33Å; S166-R168 PolarHBondContact OG-N 3.21Å; S166-E169 PolarHBondContact N-OE1 3.15Å; S166-E169 WeakPolarHBondContact O-CB 3.43Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact O-N 3.44Å; S166-N365 WeakPolarHBondContact CB-OD1 3.46Å; S166-N365 PolarHBondContact N-OD1 2.71Å; S166-N365 PolarHBondContact OG-OD1 3.32Å
167V98.7Very high98.4Very high0 Ų012.4 Ų12.40%07%0.065CC..G310 helixtrans-55.6-18.4172.7-63.10000113.6I140 E169 F170 F171 A192 P193 W200I140-V167 HydrophobicContact CD1-CB 4.1Å; I140-V167 HydrophobicContact CD1-CG2 4.27Å; V167-E169 PolarHBondContact O-N 3.34Å; V167-F170 PolarHBondContact O-N 2.91Å; V167-F170 VanDerWaalsContact O-N 3.15Å; V167-F171 WeakPolarHBondContact O-CD1 3.38Å; V167-A192 WeakPolarHBondContact CG1-O 3.46Å; V167-P193 WeakPolarHBondContact CG1-O 3.5Å; V167-W200 HydrophobicContact CG2-CZ3 4.01Å
168R98.6Very high98.2Very high17 Ų1712.9 Ų12.96%0.0647%0.068CC..G310 helixtrans-58.1-29.6174.9178.555.5-172.781.9-5112.8F122 S166 F170 F171 D364 N365F122-R168 HydrophobicContact CE1-CB 4.39Å; S166-R168 PolarHBondContact O-N 3.47Å; S166-R168 VanDerWaalsContact OG-CB 3.31Å; S166-R168 WeakPolarHBondContact OG-CB 3.33Å; S166-R168 PolarHBondContact OG-N 3.21Å; R168-F170 PolarHBondContact O-N 3.42Å; R168-F170 VanDerWaalsContact O-N 3.12Å; R168-F171 PolarHBondContact O-N 3.04Å; R168-D364 HydrophobicContact CG-CB 3.81Å; R168-D364 IonicContact CZ-OD2 3.98Å; R168-D364 IonicContact NE-OD2 3.98Å; R168-D364 PolarHBondContact NE-OD2 3.22Å; R168-D364 IonicContact NH2-OD2 3.04Å; R168-D364 PolarHBondContact NH2-OD2 3.18Å; R168-D364 VanDerWaalsContact NH2-OD2 3.09Å; R168-N365 HydrophobicContact CB-CB 4.49Å; R168-N365 HydrophobicContact CG-CB 4.38Å
169E98.5Very high97.9Very high18 Ų1819 Ų198%0.0849%0.094CC..G310 helixtrans-59.1-24178.3-66.8179.5-102.600113G165 S166 V167 F440 A442 L443G165-E169 WeakPolarHBondContact CA-OE1 3.25Å; S166-E169 PolarHBondContact N-OE1 3.15Å; S166-E169 WeakPolarHBondContact O-CB 3.43Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact O-N 3.44Å; V167-E169 PolarHBondContact O-N 3.34Å; E169-F440 WeakPolarHBondContact OE2-CD1 3.19Å; E169-A442 CarbonylContact O-C 3.43Å; E169-L443 HydrophobicContact CB-CB 4.49Å
170F98.7Very high97Very high6 Ų621.3 Ų21.33%0.02611%0.105CC..G310 helixtrans-96.40.6-172.4-52.7-50.8000114.4L159 H161 V167 R168 D172 F173 I174 A192 A442L159-F170 HydrophobicContact CB-CD2 4.27Å; L159-F170 HydrophobicContact CB-CE2 4.07Å; L159-F170 HydrophobicContact CB-CZ 4.21Å; L159-F170 HydrophobicContact CD1-CB 4.25Å; L159-F170 HydrophobicContact CD1-CD1 4.23Å; L159-F170 HydrophobicContact CD1-CD2 4.49Å; L159-F170 HydrophobicContact CD1-CG 4.09Å; H161-F170 HydrophobicContact CB-CE2 3.71Å; H161-F170 HydrophobicContact CB-CZ 3.73Å; V167-F170 PolarHBondContact O-N 2.91Å; V167-F170 VanDerWaalsContact O-N 3.15Å; R168-F170 PolarHBondContact O-N 3.42Å; R168-F170 VanDerWaalsContact O-N 3.12Å; F170-D172 VanDerWaalsContact C-N 3.29Å; F170-D172 PolarHBondContact O-N 3.07Å; F170-F173 HydrophobicContact CD1-CD1 4.26Å; F170-F173 PolarHBondContact O-N 3.38Å; F170-I174 HydrophobicContact CB-CD1 3.8Å; F170-I174 HydrophobicContact CB-CG1 3.92Å; F170-I174 VanDerWaalsContact O-CG1 3.32Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.19Å; F170-A192 HydrophobicContact CD2-CB 4.01Å; F170-A442 HydrophobicContact CD1-CB 3.75Å; F170-A442 HydrophobicContact CE1-CB 3.98Å
171F98.3Very high96.1Very high6 Ų622.5 Ų22.53%0.02611%0.114CC..THydrogen-bonded Turntrans-62.1-36.7-169.9-8126.1000112.7L121 F122 F125 I140 V167 R168 P175L121-F171 HydrophobicContact CD1-CD2 4.26Å; L121-F171 HydrophobicContact CD2-CD2 4.28Å; L121-F171 HydrophobicContact CG-CD2 3.95Å; L121-F171 HydrophobicContact CG-CE2 4.04Å; F122-F171 AromaticContact CD1-CE2 3.9Å; F122-F171 HydrophobicContact CD1-CE2 3.9Å; F122-F171 AromaticContact CD1-CZ 3.46Å; F122-F171 HydrophobicContact CD1-CZ 3.46Å; F122-F171 VanDerWaalsContact CD1-CZ 3.46Å; F122-F171 HydrophobicContact CE1-CE2 4.17Å; F122-F171 AromaticContact CE1-CZ 3.77Å; F122-F171 HydrophobicContact CE1-CZ 3.77Å; F122-F171 HydrophobicContact CG-CE2 4.25Å; F122-F171 HydrophobicContact CG-CZ 4.2Å; F125-F171 HydrophobicContact CD2-CD1 4.16Å; F125-F171 HydrophobicContact CD2-CD2 4.27Å; F125-F171 HydrophobicContact CD2-CE1 4.03Å; F125-F171 HydrophobicContact CD2-CE2 4.14Å; F125-F171 HydrophobicContact CD2-CG 4.27Å; F125-F171 HydrophobicContact CD2-CZ 4Å; F125-F171 HydrophobicContact CE2-CB 3.94Å; F125-F171 AromaticContact CE2-CD1 3.73Å; F125-F171 HydrophobicContact CE2-CD1 3.73Å; F125-F171 AromaticContact CE2-CD2 3.66Å; F125-F171 HydrophobicContact CE2-CD2 3.66Å; F125-F171 HydrophobicContact CE2-CE1 4.06Å; F125-F171 AromaticContact CE2-CE2 3.99Å; F125-F171 HydrophobicContact CE2-CE2 3.99Å; F125-F171 AromaticContact CE2-CG 3.5Å; F125-F171 HydrophobicContact CE2-CG 3.5Å; F125-F171 VanDerWaalsContact CE2-CG 3.5Å; F125-F171 HydrophobicContact CE2-CZ 4.17Å; F125-F171 HydrophobicContact CZ-CB 4.17Å; F125-F171 HydrophobicContact CZ-CD1 4.39Å; F125-F171 HydrophobicContact CZ-CG 4.18Å; F125-F171 WeakPolarHBondContact CZ-O 3.41Å; I140-F171 HydrophobicContact CD1-CE1 3.88Å; V167-F171 WeakPolarHBondContact O-CD1 3.38Å; R168-F171 PolarHBondContact O-N 3.04Å; F171-P175 WeakPolarHBondContact O-CD 3.46Å; F171-P175 WeakPolarHBondContact O-CG 3.47Å
172D96.9Very high95.4Very high85 Ų8529.5 Ų29.546%0.45515%0.151SC..THydrogen-bonded Turntrans-86.3-17.9175.8-61.6-55.6000112.7F170 P446F170-D172 VanDerWaalsContact C-N 3.29Å; F170-D172 PolarHBondContact O-N 3.07Å; D172-P446 HydrophobicContact CB-CB 4.45Å; D172-P446 HydrophobicContact CB-CG 4.18Å
173F98.2Very high94.8Very high0 Ų034.9 Ų34.90%018%0.178CC..THydrogen-bonded Turntrans-85.1-42.5-177.9-171.9-137.1000112.8L159 F170 M176 L177 A442 P446 L449 F450L159-F173 HydrophobicContact CD1-CD1 4Å; L159-F173 HydrophobicContact CD1-CE1 4.28Å; L159-F173 HydrophobicContact CD2-CE1 3.99Å; F170-F173 HydrophobicContact CD1-CD1 4.26Å; F170-F173 PolarHBondContact O-N 3.38Å; F173-M176 WeakPolarHBondContact O-CB 3.37Å; F173-M176 PolarHBondContact O-N 2.96Å; F173-L177 HydrophobicContact CD1-CD1 3.74Å; F173-L177 HydrophobicContact CD2-CD1 4.36Å; F173-L177 HydrophobicContact CD2-CG 4.46Å; F173-L177 HydrophobicContact CE1-CD1 3.62Å; F173-L177 HydrophobicContact CE1-CG 4.44Å; F173-L177 HydrophobicContact CE2-CD1 4.24Å; F173-L177 HydrophobicContact CE2-CD2 4.31Å; F173-L177 HydrophobicContact CE2-CG 4.23Å; F173-L177 HydrophobicContact CG-CD1 4.11Å; F173-L177 HydrophobicContact CZ-CD1 3.88Å; F173-L177 HydrophobicContact CZ-CD2 4.1Å; F173-L177 HydrophobicContact CZ-CG 4.21Å; F173-L177 PolarHBondContact O-N 3.31Å; F173-A442 HydrophobicContact CB-CB 4.45Å; F173-A442 HydrophobicContact CD1-CB 4.28Å; F173-A442 HydrophobicContact CG-CB 4.48Å; F173-P446 HydrophobicContact CB-CB 4.32Å; F173-P446 HydrophobicContact CD2-CB 4.41Å; F173-L449 HydrophobicContact CD1-CD2 4.42Å; F173-L449 HydrophobicContact CE1-CD2 3.94Å; F173-L449 HydrophobicContact CE1-CG 4.39Å; F173-L449 HydrophobicContact CE2-CB 4.28Å; F173-L449 HydrophobicContact CE2-CD2 4.26Å; F173-L449 HydrophobicContact CE2-CG 4.1Å; F173-L449 HydrophobicContact CZ-CD2 3.87Å; F173-L449 HydrophobicContact CZ-CG 3.82Å; F173-F450 HydrophobicContact CD2-CB 4.33Å; F173-F450 HydrophobicContact CE2-CB 3.78Å; F173-F450 HydrophobicContact CE2-CD2 4.45Å
174I98.4Very high94.3Very high1 Ų135 Ų351%0.00518%0.179CC..Hα-helixtrans-56.1-44.8-179.5-69.6166.1000112.5F125 I140 E142 L159 F170 M176 L177 T178 V190 A192F125-I174 HydrophobicContact CD1-CD1 4.44Å; F125-I174 HydrophobicContact CD1-CG2 4.25Å; F125-I174 HydrophobicContact CE1-CB 3.99Å; F125-I174 HydrophobicContact CE1-CD1 4.24Å; F125-I174 HydrophobicContact CE1-CG2 3.81Å; I140-I174 HydrophobicContact CD1-CD1 4.2Å; I140-I174 HydrophobicContact CG2-CD1 4.08Å; E142-I174 HydrophobicContact CB-CG2 3.84Å; E142-I174 HydrophobicContact CG-CG2 3.7Å; L159-I174 HydrophobicContact CD1-CG1 4.11Å; F170-I174 HydrophobicContact CB-CD1 3.8Å; F170-I174 HydrophobicContact CB-CG1 3.92Å; F170-I174 VanDerWaalsContact O-CG1 3.32Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.19Å; I174-M176 PolarHBondContact O-N 3.47Å; I174-L177 PolarHBondContact O-N 3.35Å; I174-L177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.02Å; I174-T178 WeakPolarHBondContact O-CG2 3.44Å; I174-T178 PolarHBondContact O-N 3.12Å; I174-T178 PolarHBondContact O-OG1 3.09Å; I174-V190 HydrophobicContact CG1-CG1 4.05Å; I174-A192 HydrophobicContact CD1-CB 4.42Å
175P97.1Very high94.1Very high39 Ų3939.3 Ų39.325%0.25320%0.202SC..Hα-helixtrans-60.6-32.1176.9-26.136.3000113.4F171 L177 K179F171-P175 WeakPolarHBondContact O-CD 3.46Å; F171-P175 WeakPolarHBondContact O-CG 3.47Å; P175-L177 VanDerWaalsContact C-N 3.35Å; P175-K179 HydrophobicContact CB-CD 4.35Å; P175-K179 VanDerWaalsContact O-CB 3.24Å; P175-K179 WeakPolarHBondContact O-CB 3.38Å; P175-K179 VanDerWaalsContact O-CG 3.25Å; P175-K179 WeakPolarHBondContact O-CG 3.48Å; P175-K179 PolarHBondContact O-N 2.85Å
176M96.9Very high93.8Very high66 Ų6639.8 Ų39.833%0.32520%0.204SC..Hα-helixtrans-70.5-34.3177.5-57.8-175-175.900111.6F173 I174 P446 A447 F450F173-M176 WeakPolarHBondContact O-CB 3.37Å; F173-M176 PolarHBondContact O-N 2.96Å; I174-M176 PolarHBondContact O-N 3.47Å; M176-P446 HydrophobicContact CE-CB 4Å; M176-P446 HydrophobicContact CE-CG 4.12Å; M176-P446 HydrophobicContact SD-CB 4.16Å; M176-A447 HydrophobicContact CE-CB 4.36Å; M176-A447 HydrophobicContact SD-CB 4.33Å; M176-F450 HydrophobicContact CB-CB 4.43Å; M176-F450 HydrophobicContact CB-CD2 3.78Å; M176-F450 HydrophobicContact CB-CE2 4.16Å; M176-F450 HydrophobicContact CB-CG 3.98Å; M176-F450 WeakPolarHBondContact O-CE2 3.47Å; M176-F450 WeakPolarHBondContact O-CZ 3.28Å; M176-F450 HydrophobicContact SD-CB 4.24Å
177L97.4Very high93.7Very high1 Ų139.7 Ų39.71%0.00520%0.204CC..Hα-helixtrans-76.6-34.8-179.6-68.5165.5000113.6L157 L159 F173 I174 P175 F188 V190 F450 F453L157-L177 HydrophobicContact CD2-CD1 3.82Å; L157-L177 HydrophobicContact CD2-CD2 3.9Å; L157-L177 HydrophobicContact CD2-CG 4.42Å; L159-L177 HydrophobicContact CD1-CD1 3.86Å; L159-L177 HydrophobicContact CD2-CD1 4.32Å; F173-L177 HydrophobicContact CD1-CD1 3.74Å; F173-L177 HydrophobicContact CD2-CD1 4.36Å; F173-L177 HydrophobicContact CD2-CG 4.46Å; F173-L177 HydrophobicContact CE1-CD1 3.62Å; F173-L177 HydrophobicContact CE1-CG 4.44Å; F173-L177 HydrophobicContact CE2-CD1 4.24Å; F173-L177 HydrophobicContact CE2-CD2 4.31Å; F173-L177 HydrophobicContact CE2-CG 4.23Å; F173-L177 HydrophobicContact CG-CD1 4.11Å; F173-L177 HydrophobicContact CZ-CD1 3.88Å; F173-L177 HydrophobicContact CZ-CD2 4.1Å; F173-L177 HydrophobicContact CZ-CG 4.21Å; F173-L177 PolarHBondContact O-N 3.31Å; I174-L177 PolarHBondContact O-N 3.35Å; I174-L177 VanDerWaalsContact O-N 3.14Å; P175-L177 VanDerWaalsContact C-N 3.35Å; L177-F188 HydrophobicContact CB-CB 4.34Å; L177-F188 HydrophobicContact CB-CD2 4.32Å; L177-F188 HydrophobicContact CD2-CD2 3.7Å; L177-F188 HydrophobicContact CD2-CE2 4.21Å; L177-F188 HydrophobicContact CD2-CG 4.38Å; L177-F188 PolarHBondContact O-N 2.93Å; L177-V190 HydrophobicContact CB-CG2 3.85Å; L177-V190 HydrophobicContact CD1-CG2 4.02Å; L177-F450 HydrophobicContact CD2-CD2 3.88Å; L177-F450 HydrophobicContact CD2-CE2 4.13Å; L177-F450 HydrophobicContact CG-CD2 4.29Å; L177-F453 HydrophobicContact CD2-CD1 3.79Å; L177-F453 HydrophobicContact CD2-CE1 3.94Å
178T96.4Very high93.7Very high10 Ų1039.7 Ų39.76%0.06120%0.204CC..Hα-helixtrans-95.8-25.2-169.753.20000113.5E142 V144 S145 I174 F188 V190E142-T178 HydrophobicContact CB-CG2 3.78Å; V144-T178 WeakPolarHBondContact CA-O 3.33Å; S145-T178 PolarHBondContact N-O 3.18Å; I174-T178 HydrophobicContact CG2-CG2 4.02Å; I174-T178 WeakPolarHBondContact O-CG2 3.44Å; I174-T178 PolarHBondContact O-N 3.12Å; I174-T178 PolarHBondContact O-OG1 3.09Å; T178-F188 WeakPolarHBondContact CG2-O 3.39Å; T178-V190 HydrophobicContact CG2-CB 4.3Å; T178-V190 HydrophobicContact CG2-CG2 3.79Å
179K91.5Very high93.7Very high127 Ų12740.3 Ų40.355%0.55221%0.207SC*.SBendtrans-90.5159.1-178.9-63.9177.6-177.9176.40111.7P175 S181P175-K179 HydrophobicContact CB-CD 4.35Å; P175-K179 VanDerWaalsContact O-CB 3.24Å; P175-K179 WeakPolarHBondContact O-CB 3.38Å; P175-K179 VanDerWaalsContact O-CG 3.25Å; P175-K179 WeakPolarHBondContact O-CG 3.48Å; P175-K179 PolarHBondContact O-N 2.85Å; K179-S181 PolarHBondContact O-N 2.58Å
180H80.9Confident93.7Very high50 Ų5039.4 Ų39.423%0.23120%0.203CC..  trans-62.5128.2173.4174.9-93.9000110.7E147 A148 K152 N182E147-H180 HydrophobicContact CG-CB 3.99Å; E147-H180 IonicContact OE1-ND1 2.78Å; A148-H180 HydrophobicContact CB-CB 4.32Å; K152-H180 WeakPolarHBondContact CE-CD2 3.3Å; K152-H180 WeakPolarHBondContact CE-NE2 3.44Å; H180-N182 PolarHBondContact CE1-OD1 2.78Å
181S79.8Confident93.7Very high25 Ų2539.1 Ų39.118%0.17520%0.202CC..  trans-126.3142.1172.9178.10000110.3K152 K179 I183K152-S181 VanDerWaalsContact CE-O 3.27Å; K152-S181 WeakPolarHBondContact CE-O 3.4Å; K152-S181 PolarHBondContact NZ-O 2.97Å; K179-S181 PolarHBondContact O-N 2.58Å; S181-I183 PolarHBondContact O-N 3.41Å; S181-I183 WeakPolarHBondContact OG-CB 3.45Å; S181-I183 PolarHBondContact OG-N 3.5Å
182N83.7Confident93.7Very high149 Ų14938.9 Ų38.980%0.79720%0.201SC*.SBendtrans-79.4-3.7173.3-70.5-23.5000112.8H180H180-N182 PolarHBondContact CE1-OD1 2.78Å
183I85.1Confident93.8Very high116 Ų11634.8 Ų34.860%0.59518%0.179SC*.SBendtrans-83.9-28.3-175.4-59.1171.1000111.4S181S181-I183 PolarHBondContact O-N 3.41Å; S181-I183 WeakPolarHBondContact OG-CB 3.45Å; S181-I183 PolarHBondContact OG-N 3.5Å
184T90.1Very high93.9Very high13 Ų1334.8 Ų34.88%0.0818%0.179CC..  trans-142.8151-171.9-178.30000111.1K152 Y186 F450 T454K152-T184 WeakPolarHBondContact CD-O 3.48Å; K152-T184 WeakPolarHBondContact CE-O 3.4Å; K152-T184 PolarHBondContact NZ-O 3.11Å; T184-Y186 WeakPolarHBondContact CG2-O 3.27Å; T184-Y186 WeakPolarHBondContact OG1-CD2 3.26Å; T184-Y186 PolarHBondContact OG1-N 3.46Å; T184-F450 HydrophobicContact CG2-CE1 4.37Å; T184-F450 HydrophobicContact CG2-CZ 3.8Å; T184-T454 HydrophobicContact CG2-CG2 3.82Å
185D92.3Very high93.9Very high94 Ų9434.8 Ų34.850%0.50318%0.179SC..SBendtrans-85.73.2173.6-65.9-36.3000113K152 H153K152-D185 CarbonylContact C-O 3.37Å; K152-D185 WeakPolarHBondContact CA-O 3.31Å; K152-D185 WeakPolarHBondContact CB-O 3.45Å; K152-D185 WeakPolarHBondContact CD-O 3.34Å; K152-D185 IonicContact NZ-OD1 3.23Å; H153-D185 PolarHBondContact N-O 3.32Å
186Y94.2Very high94Very high10 Ų1033.2 Ų33.24%0.03917%0.169CC..EExtended strand (participates in β ladder)trans-108.6144.1-176.7-58.4-83.1000111.6H153 Y155 T184 V457 H463 E465H153-Y186 HydrophobicContact CB-CD1 3.83Å; H153-Y186 HydrophobicContact CB-CE1 4.09Å; H153-Y186 WeakPolarHBondContact O-CA 3.36Å; Y155-Y186 HydrophobicContact CD2-CD1 4.04Å; Y155-Y186 AromaticContact CE2-CD1 3.85Å; Y155-Y186 HydrophobicContact CE2-CD1 3.85Å; Y155-Y186 AromaticContact CE2-CE1 3.97Å; Y155-Y186 HydrophobicContact CE2-CE1 3.97Å; T184-Y186 WeakPolarHBondContact CG2-O 3.27Å; T184-Y186 WeakPolarHBondContact OG1-CD2 3.26Å; T184-Y186 PolarHBondContact OG1-N 3.46Å; Y186-V457 HydrophobicContact CD1-CG1 3.6Å; Y186-V457 HydrophobicContact CD2-CG1 3.95Å; Y186-V457 HydrophobicContact CE1-CG1 3.82Å; Y186-V457 HydrophobicContact CE2-CG1 4.2Å; Y186-V457 HydrophobicContact CG-CG1 3.66Å; Y186-H463 AromaticContact CE1-CD2 3.95Å; Y186-E465 PolarHBondContact OH-OE1 3.19Å
187A96.3Very high94Very high1 Ų130.1 Ų30.11%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-135156.4168.300000109V144 A148 K152 H153 V154 Y155V144-A187 HydrophobicContact CG1-CB 3.83Å; A148-A187 HydrophobicContact CB-CB 3.9Å; K152-A187 HydrophobicContact CB-CB 3.85Å; K152-A187 HydrophobicContact CG-CB 4.29Å; H153-A187 PolarHBondContact O-N 2.92Å; V154-A187 VanDerWaalsContact CA-O 3.3Å; V154-A187 WeakPolarHBondContact CA-O 3.35Å; Y155-A187 PolarHBondContact N-O 2.9Å
188F97.9Very high94.1Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-126.7132.3-171-54.8-86.7000112.2V144 Y155 L157 L177 T178 V190 F231 F453 T454 V457V144-F188 VanDerWaalsContact CG1-O 3.27Å; V144-F188 WeakPolarHBondContact CG1-O 3.39Å; Y155-F188 CarbonylContact O-C 3.59Å; Y155-F188 WeakPolarHBondContact O-CA 3.47Å; L157-F188 HydrophobicContact CB-CB 3.9Å; L157-F188 HydrophobicContact CB-CD1 4.09Å; L157-F188 HydrophobicContact CB-CG 4.28Å; L157-F188 HydrophobicContact CD2-CB 4.02Å; L157-F188 HydrophobicContact CD2-CD1 4.28Å; L157-F188 HydrophobicContact CD2-CG 4.04Å; L177-F188 HydrophobicContact CB-CB 4.34Å; L177-F188 HydrophobicContact CB-CD2 4.32Å; L177-F188 HydrophobicContact CD2-CD2 3.7Å; L177-F188 HydrophobicContact CD2-CE2 4.21Å; L177-F188 HydrophobicContact CD2-CG 4.38Å; L177-F188 PolarHBondContact O-N 2.93Å; T178-F188 WeakPolarHBondContact CG2-O 3.39Å; F188-V190 HydrophobicContact CB-CG2 4.18Å; F188-F231 HydrophobicContact CD1-CD2 4.46Å; F188-F231 HydrophobicContact CE1-CD2 4.05Å; F188-F231 HydrophobicContact CE1-CE2 4.31Å; F188-F453 HydrophobicContact CD1-CE1 4.01Å; F188-F453 HydrophobicContact CD1-CZ 4.28Å; F188-F453 HydrophobicContact CD2-CE1 4Å; F188-F453 AromaticContact CE1-CE1 3.63Å; F188-F453 HydrophobicContact CE1-CE1 3.63Å; F188-F453 AromaticContact CE1-CZ 3.84Å; F188-F453 HydrophobicContact CE1-CZ 3.84Å; F188-F453 HydrophobicContact CE2-CD1 4.21Å; F188-F453 AromaticContact CE2-CE1 3.64Å; F188-F453 HydrophobicContact CE2-CE1 3.64Å; F188-F453 HydrophobicContact CG-CE1 4.19Å; F188-F453 HydrophobicContact CZ-CD1 4.25Å; F188-F453 AromaticContact CZ-CE1 3.44Å; F188-F453 HydrophobicContact CZ-CE1 3.44Å; F188-F453 VanDerWaalsContact CZ-CE1 3.44Å; F188-F453 HydrophobicContact CZ-CZ 4.04Å; F188-T454 HydrophobicContact CE2-CG2 4.08Å; F188-V457 HydrophobicContact CE1-CG1 4.41Å; F188-V457 HydrophobicContact CE1-CG2 4.07Å; F188-V457 HydrophobicContact CZ-CB 4.36Å; F188-V457 HydrophobicContact CZ-CG1 4.17Å; F188-V457 HydrophobicContact CZ-CG2 3.87Å
189E98.3Very high94.2Very high29 Ų2930 Ų3014%0.13616%0.155CC..EExtended strand (participates in β ladder)trans-81.1113162.2179.4175.9157.700107.6H141 K143 Y155 P156 L157 H227H141-E189 IonicContact CD2-OE1 3.12Å; H141-E189 IonicContact CE1-OE1 3.4Å; H141-E189 PolarHBondContact CE1-OE1 3.19Å; H141-E189 IonicContact NE2-OE1 2.71Å; H141-E189 PolarHBondContact NE2-OE1 3.33Å; K143-E189 VanDerWaalsContact CD-CD 3.45Å; K143-E189 HydrophobicContact CD-CG 3.82Å; K143-E189 WeakPolarHBondContact CD-OE1 3.37Å; K143-E189 WeakPolarHBondContact CE-OE1 3.49Å; K143-E189 IonicContact NZ-OE1 2.58Å; K143-E189 PolarHBondContact NZ-OE1 3.05Å; K143-E189 IonicContact NZ-OE2 3.7Å; Y155-E189 PolarHBondContact O-N 3.5Å; P156-E189 CarbonylContact C-O 3.58Å; P156-E189 WeakPolarHBondContact CA-O 3.28Å; L157-E189 PolarHBondContact N-O 2.94Å; E189-H227 IonicContact OE1-CE1 3.86Å; E189-H227 PolarHBondContact OE1-CE1 2.69Å; E189-H227 IonicContact OE1-NE2 3.95Å; E189-H227 PolarHBondContact OE1-NE2 3.37Å; E189-H227 IonicContact OE2-CE1 3.18Å
190V98.8Very high94.5Very high0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-99.9129.4-167.1178.30000111H141 E142 L157 L159 I174 L177 T178 F188 A192H141-V190 CarbonylContact C-O 3.59Å; H141-V190 WeakPolarHBondContact CA-O 3.35Å; E142-V190 PolarHBondContact N-O 3.19Å; E142-V190 PolarHBondContact O-N 2.96Å; L157-V190 HydrophobicContact CD2-CG2 4.45Å; L159-V190 HydrophobicContact CD1-CG1 3.58Å; L159-V190 HydrophobicContact CG-CG1 3.82Å; I174-V190 HydrophobicContact CG1-CG1 4.05Å; L177-V190 HydrophobicContact CB-CG2 3.85Å; L177-V190 HydrophobicContact CD1-CG2 4.02Å; T178-V190 HydrophobicContact CG2-CB 4.3Å; T178-V190 HydrophobicContact CG2-CG2 3.79Å; F188-V190 HydrophobicContact CB-CG2 4.18Å; V190-A192 HydrophobicContact CG1-CB 4.44Å
191V98.9Very high95.4Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-116.1114.5167.4-176.20000107.6Y139 I140 L157 L158 L159 L221 M222 L225Y139-V191 HydrophobicContact CD2-CG1 3.88Å; Y139-V191 HydrophobicContact CG-CG1 4.35Å; I140-V191 CarbonylContact O-C 3.57Å; I140-V191 WeakPolarHBondContact O-CA 3.17Å; L157-V191 PolarHBondContact O-N 3.07Å; L158-V191 WeakPolarHBondContact CA-O 3.28Å; L158-V191 HydrophobicContact CD1-CG1 4.5Å; L159-V191 PolarHBondContact N-O 3.16Å; V191-L221 HydrophobicContact CG1-CD2 4.18Å; V191-M222 HydrophobicContact CB-CE 4.43Å; V191-M222 HydrophobicContact CB-SD 3.71Å; V191-M222 HydrophobicContact CG1-SD 3.89Å; V191-M222 HydrophobicContact CG2-CE 4.18Å; V191-M222 HydrophobicContact CG2-SD 3.78Å; V191-L225 HydrophobicContact CB-CD1 4.46Å; V191-L225 HydrophobicContact CG1-CD1 3.82Å; V191-L225 HydrophobicContact CG2-CD1 3.74Å
192A98.9Very high96.3Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-12190.3179.100000109.9Y139 I140 L159 V167 F170 I174 V190Y139-A192 WeakPolarHBondContact CA-O 3.44Å; I140-A192 HydrophobicContact CB-CB 4.26Å; I140-A192 PolarHBondContact N-O 3.25Å; I140-A192 PolarHBondContact O-N 2.87Å; L159-A192 HydrophobicContact CB-CB 4.01Å; V167-A192 WeakPolarHBondContact CG1-O 3.46Å; F170-A192 HydrophobicContact CD2-CB 4.01Å; I174-A192 HydrophobicContact CD1-CB 4.42Å; V190-A192 HydrophobicContact CG1-CB 4.44Å
193P98.9Very high97Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-72.8147.2178.928.7-33.9000112.5I137 H138 L158 L159 L160 H161 V167 M218 L221I137-P193 HydrophobicContact CG2-CB 4.31Å; H138-P193 CarbonylContact O-C 3.55Å; H138-P193 VanDerWaalsContact O-CA 3.28Å; H138-P193 WeakPolarHBondContact O-CA 3.39Å; L158-P193 HydrophobicContact CD1-CG 3.85Å; L159-P193 WeakPolarHBondContact O-CD 3.24Å; L160-P193 HydrophobicContact CD2-CG 3.99Å; H161-P193 PolarHBondContact CD2-O 2.82Å; V167-P193 WeakPolarHBondContact CG1-O 3.5Å; P193-M218 HydrophobicContact CB-CE 4.49Å; P193-M218 HydrophobicContact CB-SD 3.83Å; P193-M218 HydrophobicContact CG-SD 3.4Å; P193-M218 WeakPolarHBondContact CG-SD 3.47Å; P193-L221 HydrophobicContact CB-CD2 3.9Å; P193-L221 HydrophobicContact CG-CD2 4.27Å
194S98.9Very high97.6Very high0 Ų014.5 Ų14.50%09%0.085CC..PPolyproline II helixtrans-69.9129.4153-64.50000108H138 Y198 S201H138-S194 PolarHBondContact ND1-OG 2.99Å; H138-S194 PolarHBondContact O-N 2.93Å; S194-Y198 WeakPolarHBondContact CB-O 3.26Å; S194-S201 WeakPolarHBondContact CB-OG 3.25Å; S194-S201 WeakPolarHBondContact O-CB 3.2Å; S194-S201 PolarHBondContact O-OG 3.48Å
195L98.9Very high97.9Very high0 Ų017.6 Ų17.60%010%0.104CC..PPolyproline II helixtrans-57.7152.6175.7-65.4-173.8000111.2L160 H161 G197 Y198 S201 M214 M218 W237 I241L160-L195 HydrophobicContact CD2-CD2 4.29Å; H161-L195 PolarHBondContact NE2-N 3.4Å; H161-L195 VanDerWaalsContact NE2-N 3.11Å; H161-L195 WeakPolarHBondContact O-CD1 3.32Å; L195-G197 PolarHBondContact O-N 3.39Å; L195-Y198 HydrophobicContact CB-CD2 3.65Å; L195-Y198 HydrophobicContact CB-CE2 4.3Å; L195-Y198 HydrophobicContact CB-CG 3.96Å; L195-Y198 WeakPolarHBondContact O-CA 3.39Å; L195-Y198 WeakPolarHBondContact O-CB 3.26Å; L195-Y198 PolarHBondContact O-N 3.07Å; L195-S201 WeakPolarHBondContact O-CB 3.44Å; L195-M214 HydrophobicContact CB-CE 3.77Å; L195-M214 HydrophobicContact CB-SD 4.24Å; L195-M214 HydrophobicContact CD2-CE 4.38Å; L195-M214 HydrophobicContact CD2-CG 4.29Å; L195-M214 HydrophobicContact CD2-SD 4.11Å; L195-M214 HydrophobicContact CG-CE 4.44Å; L195-M218 HydrophobicContact CD2-CE 4.29Å; L195-W237 HydrophobicContact CD1-CB 4.2Å; L195-I241 HydrophobicContact CD1-CD1 3.8Å; L195-I241 HydrophobicContact CD2-CD1 3.71Å; L195-I241 HydrophobicContact CG-CD1 4.42Å
196V98.8Very high98.2Very high6 Ų616.7 Ų16.74%0.0369%0.093CC..THydrogen-bonded Turntrans-56125.6176.1169.20000110.2L135 I137 Y198 D202 A204 F209 M214 V217 M218L135-V196 HydrophobicContact CD1-CB 4.43Å; L135-V196 HydrophobicContact CD1-CG1 3.65Å; L135-V196 HydrophobicContact CD1-CG2 3.84Å; I137-V196 HydrophobicContact CD1-CG2 3.65Å; V196-Y198 VanDerWaalsContact C-N 3.3Å; V196-Y198 WeakPolarHBondContact O-CD2 3.45Å; V196-D202 WeakPolarHBondContact CG1-O 3.27Å; V196-A204 HydrophobicContact CG1-CB 4.39Å; V196-F209 HydrophobicContact CB-CD1 4.29Å; V196-F209 HydrophobicContact CB-CE1 3.53Å; V196-F209 HydrophobicContact CB-CZ 3.67Å; V196-F209 HydrophobicContact CG1-CD1 4Å; V196-F209 HydrophobicContact CG1-CD2 4.44Å; V196-F209 HydrophobicContact CG1-CE1 3.66Å; V196-F209 HydrophobicContact CG1-CE2 4.12Å; V196-F209 HydrophobicContact CG1-CG 4.42Å; V196-F209 HydrophobicContact CG1-CZ 3.74Å; V196-F209 HydrophobicContact CG2-CE1 3.91Å; V196-F209 HydrophobicContact CG2-CE2 4.31Å; V196-F209 HydrophobicContact CG2-CZ 3.52Å; V196-M214 HydrophobicContact CB-CE 3.81Å; V196-M214 HydrophobicContact CB-SD 3.77Å; V196-M214 HydrophobicContact CG2-SD 3.83Å; V196-M214 PolarHBondContact N-SD 3.21Å; V196-M214 VanDerWaalsContact N-SD 3.41Å; V196-V217 HydrophobicContact CG2-CG1 4.07Å; V196-M218 HydrophobicContact CG2-CE 4.46Å
197G98.5Very high98.3Very high2 Ų221.5 Ų21.52%0.02113%0.126CC..THydrogen-bonded Turntrans77.49.2-17500000115.3L195 D202 T377 A378L195-G197 PolarHBondContact O-N 3.39Å; G197-D202 PolarHBondContact N-O 2.9Å; G197-T377 CarbonylContact O-C 3.53Å; G197-T377 VanDerWaalsContact O-CB 3.32Å; G197-T377 WeakPolarHBondContact O-CB 3.41Å; G197-T377 PolarHBondContact O-OG1 3.2Å; G197-A378 PolarHBondContact O-N 2.99Å
198Y98.9Very high98.3Very high1 Ų122.1 Ų22.10%0.00413%0.133CC..SBendtrans-117.6148.1173.6-70-112.1000110.3H161 W163 S194 L195 V196 W200 S201 Y369 A378 F381H161-Y198 AromaticContact CE1-CD1 3.81Å; H161-Y198 AromaticContact CE1-CG 3.99Å; W163-Y198 HydrophobicContact CB-CE1 3.91Å; W163-Y198 AromaticContact CD1-CE1 3.85Å; W163-Y198 HydrophobicContact CG-CE1 4.32Å; S194-Y198 WeakPolarHBondContact CB-O 3.26Å; L195-Y198 HydrophobicContact CB-CD2 3.65Å; L195-Y198 HydrophobicContact CB-CE2 4.3Å; L195-Y198 HydrophobicContact CB-CG 3.96Å; L195-Y198 WeakPolarHBondContact O-CA 3.39Å; L195-Y198 WeakPolarHBondContact O-CB 3.26Å; L195-Y198 PolarHBondContact O-N 3.07Å; V196-Y198 VanDerWaalsContact C-N 3.3Å; V196-Y198 WeakPolarHBondContact O-CD2 3.45Å; Y198-W200 PolarHBondContact O-N 3.44Å; Y198-S201 PolarHBondContact O-N 3.47Å; Y198-S201 VanDerWaalsContact O-N 3.13Å; Y198-Y369 HydrophobicContact CD1-CE1 4.45Å; Y198-Y369 WeakPolarHBondContact CD1-OH 3.18Å; Y198-A378 HydrophobicContact CD1-CB 3.74Å; Y198-A378 HydrophobicContact CD2-CB 4.09Å; Y198-A378 HydrophobicContact CE1-CB 3.42Å; Y198-A378 VanDerWaalsContact CE1-CB 3.42Å; Y198-A378 HydrophobicContact CE2-CB 3.78Å; Y198-A378 HydrophobicContact CG-CB 4.06Å; Y198-A378 VanDerWaalsContact CZ-CB 3.42Å; Y198-A378 PolarHBondContact OH-O 3Å; Y198-F381 HydrophobicContact CE2-CB 4.26Å
199G98.4Very high98.4Very high7 Ų722.6 Ų22.67%0.07214%0.135CC..THydrogen-bonded Turntrans50-128.617500000111.2T372 S374G199-T372 WeakPolarHBondContact O-CB 3.37Å; G199-T372 VanDerWaalsContact O-CG2 3.28Å; G199-T372 WeakPolarHBondContact O-CG2 3.28Å; G199-T372 PolarHBondContact O-OG1 2.87Å; G199-S374 PolarHBondContact N-OG 3.41Å
200W98.7Very high98.4Very high25 Ų2521.2 Ų21.210%0.09513%0.129CC..THydrogen-bonded Turntrans-92.66.6-175.3-57.3-78.4000114.9F60 L62 F122 K129 H138 V167 Y198 V368 T372F60-W200 HydrophobicContact CE1-CD2 4.1Å; F60-W200 HydrophobicContact CE1-CG 4.09Å; F60-W200 HydrophobicContact CE2-CG 4.42Å; F60-W200 HydrophobicContact CZ-CB 4.08Å; F60-W200 AromaticContact CZ-CD1 3.6Å; F60-W200 HydrophobicContact CZ-CD2 4.05Å; F60-W200 AromaticContact CZ-CG 3.63Å; F60-W200 HydrophobicContact CZ-CG 3.63Å; F60-W200 AromaticContact CZ-NE1 3.97Å; L62-W200 HydrophobicContact CD1-CZ2 3.84Å; L62-W200 HydrophobicContact CD2-CZ2 4.06Å; F122-W200 AromaticContact CD1-CH2 3.56Å; F122-W200 HydrophobicContact CD1-CH2 3.56Å; F122-W200 HydrophobicContact CD1-CZ2 4.46Å; F122-W200 HydrophobicContact CD1-CZ3 4.28Å; F122-W200 AromaticContact CE1-CH2 3.6Å; F122-W200 HydrophobicContact CE1-CH2 3.6Å; F122-W200 HydrophobicContact CE1-CZ3 4.34Å; F122-W200 HydrophobicContact CG-CH2 4.41Å; F122-W200 HydrophobicContact CZ-CH2 4.45Å; K129-W200 WeakPolarHBondContact CE-O 3.49Å; K129-W200 PolarHBondContact NZ-O 2.96Å; H138-W200 HydrophobicContact CB-CB 3.77Å; H138-W200 AromaticContact CE1-CE3 3.54Å; H138-W200 AromaticContact ND1-CE3 3.72Å; V167-W200 HydrophobicContact CG2-CZ3 4.01Å; Y198-W200 PolarHBondContact O-N 3.44Å; W200-V368 HydrophobicContact CH2-CG1 4.46Å; W200-V368 HydrophobicContact CH2-CG2 3.83Å; W200-V368 HydrophobicContact CZ2-CG2 4.4Å; W200-V368 HydrophobicContact CZ3-CG2 4.37Å; W200-T372 VanDerWaalsContact CD1-CG2 3.48Å; W200-T372 HydrophobicContact CD2-CG2 4.38Å; W200-T372 HydrophobicContact CG-CG2 4.05Å
201S98.9Very high98.3Very high9 Ų921.2 Ų21.26%0.06313%0.129CC..SBendtrans-85.8140.9173.9-750000111H138 S194 L195 Y198H138-S201 PolarHBondContact N-OG 3.13Å; H138-S201 PolarHBondContact O-OG 2.87Å; S194-S201 WeakPolarHBondContact CB-OG 3.25Å; S194-S201 WeakPolarHBondContact O-CB 3.2Å; S194-S201 PolarHBondContact O-OG 3.48Å; L195-S201 WeakPolarHBondContact O-CB 3.44Å; Y198-S201 PolarHBondContact O-N 3.47Å; Y198-S201 VanDerWaalsContact O-N 3.13Å
202D98.7Very high98.3Very high54 Ų5421.2 Ų21.229%0.28913%0.129SC..PPolyproline II helixtrans-58.6151.2176.1-69.5-10.4000111.3L135 N136 V196 G197L135-D202 HydrophobicContact CB-CB 4.24Å; L135-D202 HydrophobicContact CD2-CB 4.02Å; N136-D202 VanDerWaalsContact CB-OD2 3.24Å; N136-D202 WeakPolarHBondContact CB-OD2 3.35Å; N136-D202 PolarHBondContact N-OD2 3.14Å; N136-D202 PolarHBondContact ND2-OD2 3.02Å; N136-D202 PolarHBondContact O-N 3.49Å; V196-D202 WeakPolarHBondContact CG1-O 3.27Å; G197-D202 PolarHBondContact N-O 2.9Å
203A98.4Very high98.3Very high31 Ų3122.1 Ų22.126%0.25613%0.133SC..PPolyproline II helixtrans-90.8148.7172.800000111.3L135 T205 T377L135-A203 WeakPolarHBondContact CD2-O 3.44Å; A203-T205 PolarHBondContact O-N 3.47Å; A203-T377 HydrophobicContact CB-CG2 3.44Å; A203-T377 VanDerWaalsContact CB-CG2 3.44Å
204A98.1Very high98.3Very high22 Ų2222.1 Ų22.118%0.18213%0.133CC..PPolyproline II helixtrans-60.3136.7170.100000110.8W43 V196 F209W43-A204 HydrophobicContact CB-CB 4.48Å; W43-A204 HydrophobicContact CE3-CB 4.32Å; V196-A204 HydrophobicContact CG1-CB 4.39Å; A204-F209 HydrophobicContact CB-CB 3.58Å; A204-F209 HydrophobicContact CB-CD2 3.77Å; A204-F209 HydrophobicContact CB-CG 3.72Å
205T97.1Very high98.3Very high78 Ų7822.1 Ų22.148%0.47913%0.133SC..SBendtrans-93.8-0.1-175.861.90000113.7W43 G44 P45 A203W43-T205 PolarHBondContact O-N 2.93Å; W43-T205 VanDerWaalsContact O-N 3.1Å; W43-T205 PolarHBondContact O-OG1 3.11Å; G44-T205 PolarHBondContact O-OG1 2.82Å; P45-T205 HydrophobicContact CB-CG2 4.19Å; A203-T205 PolarHBondContact O-N 3.47Å
206R96.8Very high98.3Very high75 Ų7522.1 Ų22.128%0.28313%0.133SC..SBendtrans-144.8153.8-177.360.3-17263.186.38.8111.3Y42 W43 G44 G46Y42-R206 VanDerWaalsContact CD1-NH1 3.27Å; Y42-R206 PolarHBondContact O-NH1 2.93Å; W43-R206 HydrophobicContact CE3-CG 3.7Å; W43-R206 HydrophobicContact CZ3-CG 3.85Å; W43-R206 PolarHBondContact O-NH1 2.92Å; G44-R206 PolarHBondContact O-NH1 2.86Å; G44-R206 PolarHBondContact O-NH2 2.77Å; G46-R206 PolarHBondContact O-NH2 2.77Å
207P97.5Very high98.3Very high111 Ų11121.9 Ų21.972%0.72113%0.131SC*.THydrogen-bonded Turntrans-63.5158.6179-21.433.4000113.3E384P207-E384 WeakPolarHBondContact CA-OE1 3.41Å
208G96.7Very high98.3Very high15 Ų1521.8 Ų21.816%0.15513%0.13CC..THydrogen-bonded Turntrans107.2-5.5175.800000114.8N210 E384G208-N210 VanDerWaalsContact C-N 3.31Å; G208-N210 PolarHBondContact O-N 3.44Å; G208-N210 PolarHBondContact O-ND2 2.69Å; G208-E384 WeakPolarHBondContact CA-OE2 3.35Å; G208-E384 PolarHBondContact N-OE1 2.88Å; G208-E384 VanDerWaalsContact N-OE1 3.14Å; G208-E384 PolarHBondContact N-OE2 2.95Å
209F98.3Very high98.3Very high9 Ų923.3 Ų23.34%0.03914%0.136CC..  trans-74.679.1-179.2-160.3-81.1000111.8W43 L135 V196 A204 E213 M214 V217 F381 E384W43-F209 HydrophobicContact CB-CD2 4.18Å; W43-F209 HydrophobicContact CB-CE2 4.28Å; W43-F209 AromaticContact CD1-CD2 3.74Å; W43-F209 AromaticContact CD1-CE2 3.51Å; W43-F209 AromaticContact CD2-CD2 3.42Å; W43-F209 HydrophobicContact CD2-CD2 3.42Å; W43-F209 VanDerWaalsContact CD2-CD2 3.42Å; W43-F209 HydrophobicContact CD2-CE2 4.03Å; W43-F209 HydrophobicContact CD2-CG 4.48Å; W43-F209 AromaticContact CE2-CD2 3.6Å; W43-F209 HydrophobicContact CE3-CB 4.24Å; W43-F209 AromaticContact CE3-CD2 3.85Å; W43-F209 HydrophobicContact CE3-CD2 3.85Å; W43-F209 AromaticContact CG-CD2 3.53Å; W43-F209 HydrophobicContact CG-CD2 3.53Å; W43-F209 AromaticContact CG-CE2 3.69Å; W43-F209 HydrophobicContact CG-CE2 3.69Å; W43-F209 HydrophobicContact CH2-CB 4.48Å; W43-F209 HydrophobicContact CZ2-CD2 4.23Å; W43-F209 HydrophobicContact CZ3-CB 4.16Å; W43-F209 HydrophobicContact CZ3-CD2 4.41Å; W43-F209 AromaticContact NE1-CD2 3.76Å; W43-F209 AromaticContact NE1-CE2 3.72Å; L135-F209 HydrophobicContact CD1-CE2 4.08Å; V196-F209 HydrophobicContact CB-CD1 4.29Å; V196-F209 HydrophobicContact CB-CE1 3.53Å; V196-F209 HydrophobicContact CB-CZ 3.67Å; V196-F209 HydrophobicContact CG1-CD1 4Å; V196-F209 HydrophobicContact CG1-CD2 4.44Å; V196-F209 HydrophobicContact CG1-CE1 3.66Å; V196-F209 HydrophobicContact CG1-CE2 4.12Å; V196-F209 HydrophobicContact CG1-CG 4.42Å; V196-F209 HydrophobicContact CG1-CZ 3.74Å; V196-F209 HydrophobicContact CG2-CE1 3.91Å; V196-F209 HydrophobicContact CG2-CE2 4.31Å; V196-F209 HydrophobicContact CG2-CZ 3.52Å; A204-F209 HydrophobicContact CB-CB 3.58Å; A204-F209 HydrophobicContact CB-CD2 3.77Å; A204-F209 HydrophobicContact CB-CG 3.72Å; F209-E213 HydrophobicContact CD2-CB 4.2Å; F209-E213 HydrophobicContact CE2-CB 4.23Å; F209-E213 HydrophobicContact CG-CB 4.43Å; F209-E213 HydrophobicContact CZ-CB 4.45Å; F209-M214 HydrophobicContact CD1-CE 4.44Å; F209-M214 HydrophobicContact CE1-CB 3.89Å; F209-M214 HydrophobicContact CE1-CE 3.71Å; F209-M214 HydrophobicContact CE1-CG 4.43Å; F209-M214 HydrophobicContact CE1-SD 3.74Å; F209-M214 HydrophobicContact CZ-CB 4.38Å; F209-M214 HydrophobicContact CZ-SD 4.17Å; F209-V217 HydrophobicContact CE2-CG2 3.89Å; F209-V217 HydrophobicContact CZ-CB 4.42Å; F209-V217 HydrophobicContact CZ-CG2 3.83Å; F209-F381 HydrophobicContact CD1-CD2 4.43Å; F209-F381 HydrophobicContact CD1-CE2 4.33Å; F209-E384 VanDerWaalsContact O-CB 3.27Å; F209-E384 WeakPolarHBondContact O-CB 3.49Å
210N98.3Very high98.3Very high1 Ų124.7 Ų24.71%0.00514%0.141CC..  trans-96.2-178179.863.566.6000112G208 A212 E213 M214 E384 Y390G208-N210 VanDerWaalsContact C-N 3.31Å; G208-N210 PolarHBondContact O-N 3.44Å; G208-N210 PolarHBondContact O-ND2 2.69Å; N210-A212 VanDerWaalsContact C-N 3.27Å; N210-A212 PolarHBondContact O-N 2.97Å; N210-A212 VanDerWaalsContact OD1-CB 3.28Å; N210-A212 WeakPolarHBondContact OD1-CB 3.43Å; N210-A212 PolarHBondContact OD1-N 2.82Å; N210-E213 WeakPolarHBondContact O-CB 3.31Å; N210-E213 PolarHBondContact O-N 3.48Å; N210-E213 VanDerWaalsContact O-N 3.11Å; N210-E213 PolarHBondContact OD1-N 2.85Å; N210-M214 PolarHBondContact O-N 3.43Å; N210-E384 HydrophobicContact CB-CB 4.26Å; N210-Y390 HydrophobicContact CB-CD2 3.75Å; N210-Y390 HydrophobicContact CB-CG 3.93Å; N210-Y390 VanDerWaalsContact OD1-CD2 3.25Å; N210-Y390 WeakPolarHBondContact OD1-CD2 3.47Å
211A98.4Very high98.3Very high0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-65.3-22.6-176.600000115A215 I240 I241 N244 F381 N385 Y390A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.9Å; A211-I240 HydrophobicContact CB-CG2 3.88Å; A211-I241 HydrophobicContact CB-CG1 4.22Å; A211-N244 WeakPolarHBondContact CB-ND2 3.39Å; A211-F381 HydrophobicContact CB-CZ 3.88Å; A211-N385 WeakPolarHBondContact CB-OD1 3.5Å; A211-N385 PolarHBondContact N-OD1 3.14Å; A211-Y390 HydrophobicContact CB-CE2 4.08Å
212A98.3Very high98.3Very high0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-72-37.9172.700000111.3F37 N210 A215 T216 N244 L248 Y390 L393 L395F37-A212 HydrophobicContact CD2-CB 4.36Å; F37-A212 HydrophobicContact CE2-CB 3.49Å; F37-A212 VanDerWaalsContact CE2-CB 3.49Å; F37-A212 HydrophobicContact CZ-CB 3.63Å; N210-A212 VanDerWaalsContact C-N 3.27Å; N210-A212 PolarHBondContact O-N 2.97Å; N210-A212 VanDerWaalsContact OD1-CB 3.28Å; N210-A212 WeakPolarHBondContact OD1-CB 3.43Å; N210-A212 PolarHBondContact OD1-N 2.82Å; A212-A215 WeakPolarHBondContact O-CB 3.37Å; A212-A215 PolarHBondContact O-N 2.66Å; A212-T216 PolarHBondContact O-N 3.41Å; A212-T216 VanDerWaalsContact O-N 3.15Å; A212-T216 PolarHBondContact O-OG1 3.39Å; A212-N244 PolarHBondContact N-ND2 3.24Å; A212-L248 HydrophobicContact CB-CD1 3.99Å; A212-Y390 HydrophobicContact CB-CD2 4.49Å; A212-Y390 HydrophobicContact CB-CE2 4.29Å; A212-L393 HydrophobicContact CB-CD1 3.73Å; A212-L395 HydrophobicContact CB-CD1 3.95Å
213E98.6Very high98.3Very high19 Ų1923.3 Ų23.39%0.08914%0.135CC..Hα-helixtrans-67.4-43.3174-58-61.8162.700111.1F37 W43 F209 N210 A215 T216 V217F37-E213 VanDerWaalsContact CZ-CD 3.45Å; F37-E213 HydrophobicContact CZ-CG 4.25Å; F37-E213 WeakPolarHBondContact CZ-OE1 3.32Å; W43-E213 HydrophobicContact CH2-CG 4.24Å; W43-E213 HydrophobicContact CZ2-CB 4.02Å; W43-E213 HydrophobicContact CZ2-CG 3.56Å; F209-E213 HydrophobicContact CD2-CB 4.2Å; F209-E213 HydrophobicContact CE2-CB 4.23Å; F209-E213 HydrophobicContact CG-CB 4.43Å; F209-E213 HydrophobicContact CZ-CB 4.45Å; N210-E213 WeakPolarHBondContact O-CB 3.31Å; N210-E213 PolarHBondContact O-N 3.48Å; N210-E213 VanDerWaalsContact O-N 3.11Å; N210-E213 PolarHBondContact OD1-N 2.85Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.05Å; E213-T216 WeakPolarHBondContact O-CB 2.92Å; E213-T216 PolarHBondContact O-N 2.71Å; E213-T216 VanDerWaalsContact O-N 3.11Å; E213-V217 PolarHBondContact O-N 2.75Å
214M98.8Very high98.3Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-57-45.4172.3-171.575.280.500111.3L195 V196 F209 N210 T216 V217 M218 I241 F381L195-M214 HydrophobicContact CB-CE 3.77Å; L195-M214 HydrophobicContact CB-SD 4.24Å; L195-M214 HydrophobicContact CD2-CE 4.38Å; L195-M214 HydrophobicContact CD2-CG 4.29Å; L195-M214 HydrophobicContact CD2-SD 4.11Å; L195-M214 HydrophobicContact CG-CE 4.44Å; V196-M214 HydrophobicContact CB-CE 3.81Å; V196-M214 HydrophobicContact CB-SD 3.77Å; V196-M214 HydrophobicContact CG2-SD 3.83Å; V196-M214 PolarHBondContact N-SD 3.21Å; V196-M214 VanDerWaalsContact N-SD 3.41Å; F209-M214 HydrophobicContact CD1-CE 4.44Å; F209-M214 HydrophobicContact CE1-CB 3.89Å; F209-M214 HydrophobicContact CE1-CE 3.71Å; F209-M214 HydrophobicContact CE1-CG 4.43Å; F209-M214 HydrophobicContact CE1-SD 3.74Å; F209-M214 HydrophobicContact CZ-CB 4.38Å; F209-M214 HydrophobicContact CZ-SD 4.17Å; N210-M214 PolarHBondContact O-N 3.43Å; M214-T216 PolarHBondContact O-N 3.22Å; M214-V217 PolarHBondContact O-N 3.09Å; M214-M218 HydrophobicContact CG-CE 4.18Å; M214-M218 HydrophobicContact CG-CG 4.39Å; M214-M218 VanDerWaalsContact O-CG 3.27Å; M214-M218 WeakPolarHBondContact O-CG 3.38Å; M214-M218 PolarHBondContact O-N 2.9Å; M214-M218 HydrophobicContact SD-CE 3.43Å; M214-M218 WeakPolarHBondContact SD-CE 3.49Å; M214-I241 HydrophobicContact CB-CD1 4.33Å; M214-I241 HydrophobicContact CB-CG1 4.13Å; M214-I241 HydrophobicContact CB-CG2 4.42Å; M214-I241 HydrophobicContact CG-CD1 3.54Å; M214-I241 HydrophobicContact CG-CG1 3.84Å; M214-I241 HydrophobicContact CG-CG2 4.02Å; M214-F381 HydrophobicContact CB-CE2 4.08Å; M214-F381 HydrophobicContact CB-CZ 4.04Å; M214-F381 HydrophobicContact CE-CD2 4.08Å; M214-F381 HydrophobicContact CE-CE1 4.46Å; M214-F381 HydrophobicContact CE-CE2 3.65Å; M214-F381 HydrophobicContact CE-CZ 3.85Å; M214-F381 HydrophobicContact CG-CZ 4.34Å
215A98.8Very high98.3Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-58.4-36.9177.800000112.1A211 A212 E213 R219 I241 N244 L245A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.9Å; A212-A215 WeakPolarHBondContact O-CB 3.37Å; A212-A215 PolarHBondContact O-N 2.66Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.05Å; A215-R219 WeakPolarHBondContact O-CB 3.37Å; A215-R219 PolarHBondContact O-N 3.4Å; A215-I241 HydrophobicContact CB-CG2 4.17Å; A215-N244 HydrophobicContact CB-CB 3.97Å; A215-L245 HydrophobicContact CB-CB 4Å; A215-L245 HydrophobicContact CB-CG 4.39Å; A215-L245 WeakPolarHBondContact O-CD1 3.32Å
216T98.6Very high98.3Very high0 Ų024.3 Ų24.30%014%0.138CC..Hα-helixtrans-68.3-46.4176.8-58.80000111.9F37 D39 A212 E213 M214 M218 R219 N220 Y249F37-T216 VanDerWaalsContact CE1-OG1 3.27Å; F37-T216 WeakPolarHBondContact CE1-OG1 3.34Å; D39-T216 HydrophobicContact CB-CG2 3.72Å; D39-T216 VanDerWaalsContact O-CG2 3.24Å; D39-T216 WeakPolarHBondContact O-CG2 3.47Å; A212-T216 PolarHBondContact O-N 3.41Å; A212-T216 VanDerWaalsContact O-N 3.15Å; A212-T216 PolarHBondContact O-OG1 3.39Å; E213-T216 WeakPolarHBondContact O-CB 2.92Å; E213-T216 PolarHBondContact O-N 2.71Å; E213-T216 VanDerWaalsContact O-N 3.11Å; M214-T216 PolarHBondContact O-N 3.22Å; T216-M218 VanDerWaalsContact C-N 3.32Å; T216-M218 PolarHBondContact O-N 3.49Å; T216-R219 PolarHBondContact O-N 2.78Å; T216-N220 WeakPolarHBondContact O-CB 3.18Å; T216-N220 VanDerWaalsContact O-CG 3.25Å; T216-N220 PolarHBondContact O-N 3.47Å; T216-N220 PolarHBondContact O-ND2 3.37Å; T216-Y249 PolarHBondContact OG1-OH 3.45Å
217V98.8Very high98.4Very high0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-59.9-43.4174.71710000110.8I132 I137 V196 F209 E213 M214 N220 L221I132-V217 HydrophobicContact CB-CG1 4.25Å; I132-V217 HydrophobicContact CG2-CB 4.38Å; I132-V217 HydrophobicContact CG2-CG1 3.91Å; I137-V217 HydrophobicContact CD1-CG1 3.88Å; I137-V217 HydrophobicContact CG1-CG1 3.94Å; V196-V217 HydrophobicContact CG2-CG1 4.07Å; F209-V217 HydrophobicContact CE2-CG2 3.89Å; F209-V217 HydrophobicContact CZ-CB 4.42Å; F209-V217 HydrophobicContact CZ-CG2 3.83Å; E213-V217 PolarHBondContact O-N 2.75Å; M214-V217 PolarHBondContact O-N 3.09Å; V217-N220 PolarHBondContact O-N 3.47Å; V217-L221 WeakPolarHBondContact O-CB 3.37Å; V217-L221 PolarHBondContact O-N 2.83Å
218M98.9Very high98.5Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-66.9-38.7178.4-62.7-51.7138.200112.7L158 L160 P193 L195 V196 M214 T216 M222 I241 L245L158-M218 HydrophobicContact CD2-CB 3.98Å; L160-M218 HydrophobicContact CD2-CG 3.98Å; L160-M218 HydrophobicContact CD2-SD 4.25Å; P193-M218 HydrophobicContact CB-CE 4.49Å; P193-M218 HydrophobicContact CB-SD 3.83Å; P193-M218 HydrophobicContact CG-SD 3.4Å; P193-M218 WeakPolarHBondContact CG-SD 3.47Å; L195-M218 HydrophobicContact CD2-CE 4.29Å; V196-M218 HydrophobicContact CG2-CE 4.46Å; M214-M218 HydrophobicContact CG-CE 4.18Å; M214-M218 HydrophobicContact CG-CG 4.39Å; M214-M218 VanDerWaalsContact O-CG 3.27Å; M214-M218 WeakPolarHBondContact O-CG 3.38Å; M214-M218 PolarHBondContact O-N 2.9Å; M214-M218 HydrophobicContact SD-CE 3.43Å; M214-M218 WeakPolarHBondContact SD-CE 3.49Å; T216-M218 VanDerWaalsContact C-N 3.32Å; T216-M218 PolarHBondContact O-N 3.49Å; M218-M222 WeakPolarHBondContact O-CG 3.31Å; M218-M222 PolarHBondContact O-N 3.47Å; M218-M222 VanDerWaalsContact O-N 3.1Å; M218-I241 HydrophobicContact CG-CG2 4.37Å; M218-L245 HydrophobicContact CB-CD1 4.17Å
219R98.8Very high98.6Very high34 Ų3429.9 Ų29.913%0.12815%0.149CC..Hα-helixtrans-59.7-50.9170170.3-168.3174.9-127.116.2110.7D39 A215 T216 L221 M222 L223 L245 Y249 E251 N252D39-R219 IonicContact OD2-CZ 2.57Å; D39-R219 IonicContact OD2-NH1 3.85Å; D39-R219 PolarHBondContact OD2-NH1 2.96Å; A215-R219 WeakPolarHBondContact O-CB 3.37Å; A215-R219 PolarHBondContact O-N 3.4Å; T216-R219 PolarHBondContact O-N 2.78Å; R219-L221 VanDerWaalsContact C-N 3.27Å; R219-L221 PolarHBondContact O-N 3.29Å; R219-M222 PolarHBondContact O-N 2.86Å; R219-L223 HydrophobicContact CG-CD1 4.01Å; R219-L223 HydrophobicContact CG-CG 4.26Å; R219-L223 WeakPolarHBondContact O-CG 3.46Å; R219-L223 PolarHBondContact O-N 3.22Å; R219-L245 HydrophobicContact CB-CD1 4.23Å; R219-L245 HydrophobicContact CB-CG 4.42Å; R219-Y249 HydrophobicContact CB-CD2 4.38Å; R219-E251 IonicContact NH2-OE1 3.42Å; R219-N252 PolarHBondContact NE-OD1 2.89Å
220N98.6Very high98.6Very high35 Ų3529.4 Ų29.419%0.18715%0.147CC..Hα-helixtrans-64.7-33.7-175.8-71.7-16.1000111.4D39 I132 Q133 T216 V217 L223 R224D39-N220 PolarHBondContact O-ND2 2.84Å; I132-N220 HydrophobicContact CG2-CB 3.69Å; Q133-N220 PolarHBondContact OE1-ND2 2.9Å; T216-N220 WeakPolarHBondContact O-CB 3.18Å; T216-N220 VanDerWaalsContact O-CG 3.25Å; T216-N220 PolarHBondContact O-N 3.47Å; T216-N220 PolarHBondContact O-ND2 3.37Å; V217-N220 PolarHBondContact O-N 3.47Å; N220-L223 PolarHBondContact O-N 2.89Å; N220-R224 WeakPolarHBondContact O-CB 3.42Å; N220-R224 PolarHBondContact O-N 3.34Å
221L98.8Very high98.6Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-57.9-54.3167.2175.663.9000111T130 I132 I137 Y139 V191 P193 V217 R219 L223 R224 L225T130-L221 HydrophobicContact CG2-CD1 3.7Å; I132-L221 HydrophobicContact CG1-CB 4.33Å; I137-L221 HydrophobicContact CG2-CD2 4.06Å; Y139-L221 HydrophobicContact CD1-CD1 3.86Å; Y139-L221 HydrophobicContact CD1-CD2 4.36Å; Y139-L221 HydrophobicContact CE1-CD1 3.85Å; Y139-L221 HydrophobicContact CG-CD1 4.41Å; Y139-L221 HydrophobicContact CG-CD2 4.32Å; V191-L221 HydrophobicContact CG1-CD2 4.18Å; P193-L221 HydrophobicContact CB-CD2 3.9Å; P193-L221 HydrophobicContact CG-CD2 4.27Å; V217-L221 WeakPolarHBondContact O-CB 3.37Å; V217-L221 PolarHBondContact O-N 2.83Å; R219-L221 VanDerWaalsContact C-N 3.27Å; R219-L221 PolarHBondContact O-N 3.29Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.06Å; L221-R224 WeakPolarHBondContact O-CB 3.17Å; L221-R224 PolarHBondContact O-N 2.88Å; L221-R224 VanDerWaalsContact O-N 3.1Å; L221-L225 HydrophobicContact CD1-CD1 4.3Å; L221-L225 HydrophobicContact CD1-CG 4.41Å; L221-L225 HydrophobicContact CG-CD1 4.37Å; L221-L225 WeakPolarHBondContact O-CG 3.29Å; L221-L225 PolarHBondContact O-N 2.99Å
222M98.9Very high98.6Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-59.3-38179.5-67.1-60-76.100112.4P156 L158 V191 M218 R219 L225 G226 H227 F230P156-M222 HydrophobicContact CB-CE 4.13Å; L158-M222 HydrophobicContact CB-CE 4.26Å; L158-M222 HydrophobicContact CB-CG 4.41Å; L158-M222 HydrophobicContact CB-SD 4.17Å; L158-M222 HydrophobicContact CD1-CG 4.3Å; L158-M222 HydrophobicContact CD1-SD 4.06Å; L158-M222 HydrophobicContact CD2-CG 4.29Å; V191-M222 HydrophobicContact CB-CE 4.43Å; V191-M222 HydrophobicContact CB-SD 3.71Å; V191-M222 HydrophobicContact CG1-SD 3.89Å; V191-M222 HydrophobicContact CG2-CE 4.18Å; V191-M222 HydrophobicContact CG2-SD 3.78Å; M218-M222 WeakPolarHBondContact O-CG 3.31Å; M218-M222 PolarHBondContact O-N 3.47Å; M218-M222 VanDerWaalsContact O-N 3.1Å; R219-M222 PolarHBondContact O-N 2.86Å; M222-L225 PolarHBondContact O-N 2.83Å; M222-G226 PolarHBondContact O-N 3.11Å; M222-H227 HydrophobicContact CB-CB 4.4Å; M222-H227 HydrophobicContact CE-CB 3.95Å; M222-H227 WeakPolarHBondContact O-CB 3.46Å; M222-H227 PolarHBondContact O-N 3.18Å; M222-F230 HydrophobicContact CB-CD1 3.68Å; M222-F230 HydrophobicContact CB-CE1 3.35Å; M222-F230 HydrophobicContact CB-CE2 4.42Å; M222-F230 HydrophobicContact CB-CG 4.36Å; M222-F230 HydrophobicContact CB-CZ 3.77Å; M222-F230 HydrophobicContact CE-CB 3.57Å; M222-F230 HydrophobicContact CE-CD1 3.96Å; M222-F230 HydrophobicContact CE-CD2 4.04Å; M222-F230 HydrophobicContact CE-CG 3.6Å; M222-F230 HydrophobicContact CG-CD1 4.01Å; M222-F230 HydrophobicContact CG-CD2 4.16Å; M222-F230 HydrophobicContact CG-CE1 3.8Å; M222-F230 HydrophobicContact CG-CE2 3.96Å; M222-F230 HydrophobicContact CG-CG 4.19Å; M222-F230 HydrophobicContact CG-CZ 3.78Å
223L98.6Very high98.7Very high59 Ų5929.4 Ų29.431%0.30915%0.146SC..Hα-helixtrans-66.7-40.8175-66.2-179.3000112.5R219 N220 L221 L225 G226R219-L223 HydrophobicContact CG-CD1 4.01Å; R219-L223 HydrophobicContact CG-CG 4.26Å; R219-L223 WeakPolarHBondContact O-CG 3.46Å; R219-L223 PolarHBondContact O-N 3.22Å; N220-L223 PolarHBondContact O-N 2.89Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.06Å; L223-L225 PolarHBondContact O-N 3.27Å; L223-G226 WeakPolarHBondContact O-CA 3.12Å; L223-G226 PolarHBondContact O-N 3.28Å
224R98.1Very high98.7Very high69 Ų6928.5 Ų28.526%0.2614%0.142SC..Hα-helixtrans-57.9-36.7173.2175.3666570.41.3111.5T130 E131 I132 N220 L221 G226T130-R224 HydrophobicContact CG2-CG 4.22Å; T130-R224 PolarHBondContact OG1-NH1 3.46Å; E131-R224 PolarHBondContact O-NH1 3.28Å; E131-R224 PolarHBondContact O-NH2 3Å; E131-R224 VanDerWaalsContact O-NH2 3.08Å; I132-R224 HydrophobicContact CD1-CB 3.95Å; I132-R224 HydrophobicContact CD1-CG 4.26Å; N220-R224 WeakPolarHBondContact O-CB 3.42Å; N220-R224 PolarHBondContact O-N 3.34Å; L221-R224 WeakPolarHBondContact O-CB 3.17Å; L221-R224 PolarHBondContact O-N 2.88Å; L221-R224 VanDerWaalsContact O-N 3.1Å; R224-G226 PolarHBondContact O-N 3.36Å
225L98.6Very high98.6Very high28 Ų2829 Ų2915%0.14715%0.148CC..THydrogen-bonded Turntrans-79.2-0.3176.1-55.7179.6000113.7I57 Y139 V191 L221 M222 L223I57-L225 HydrophobicContact CD1-CD2 3.67Å; Y139-L225 HydrophobicContact CD2-CD1 4.23Å; Y139-L225 HydrophobicContact CE2-CD1 3.72Å; Y139-L225 HydrophobicContact CE2-CD2 3.96Å; Y139-L225 HydrophobicContact CE2-CG 4.48Å; Y139-L225 VanDerWaalsContact OH-CD2 3.24Å; Y139-L225 WeakPolarHBondContact OH-CD2 3.49Å; V191-L225 HydrophobicContact CB-CD1 4.46Å; V191-L225 HydrophobicContact CG1-CD1 3.82Å; V191-L225 HydrophobicContact CG2-CD1 3.74Å; L221-L225 HydrophobicContact CD1-CD1 4.3Å; L221-L225 HydrophobicContact CD1-CG 4.41Å; L221-L225 HydrophobicContact CG-CD1 4.37Å; L221-L225 WeakPolarHBondContact O-CG 3.29Å; L221-L225 PolarHBondContact O-N 2.99Å; M222-L225 PolarHBondContact O-N 2.83Å; L223-L225 PolarHBondContact O-N 3.27Å
226G98.3Very high98.6Very high55 Ų5529.8 Ų29.857%0.56715%0.152SC*.THydrogen-bonded Turntrans85.74.7178.400000114.7M222 L223 R224 K228M222-G226 PolarHBondContact O-N 3.11Å; L223-G226 WeakPolarHBondContact O-CA 3.12Å; L223-G226 PolarHBondContact O-N 3.28Å; R224-G226 PolarHBondContact O-N 3.36Å; G226-K228 PolarHBondContact O-N 3.18Å
227H98.6Very high98.6Very high19 Ų1930.3 Ų30.39%0.08815%0.154CC..  trans-85.593.6179.9-57.4-52.2000111.2H141 P156 E189 M222 F230H141-H227 AromaticContact NE2-NE2 3.97Å; P156-H227 HydrophobicContact CB-CB 4.08Å; P156-H227 HydrophobicContact CG-CB 4.19Å; P156-H227 VanDerWaalsContact CG-ND1 3.32Å; P156-H227 WeakPolarHBondContact CG-ND1 3.44Å; E189-H227 IonicContact OE1-CE1 3.86Å; E189-H227 PolarHBondContact OE1-CE1 2.69Å; E189-H227 IonicContact OE1-NE2 3.95Å; E189-H227 PolarHBondContact OE1-NE2 3.37Å; E189-H227 IonicContact OE2-CE1 3.18Å; M222-H227 HydrophobicContact CB-CB 4.4Å; M222-H227 HydrophobicContact CE-CB 3.95Å; M222-H227 WeakPolarHBondContact O-CB 3.46Å; M222-H227 PolarHBondContact O-N 3.18Å; H227-F230 HydrophobicContact CB-CD1 4.34Å
228K98.4Very high98.6Very high166 Ų16630.3 Ų30.372%0.72215%0.154SC*.SBendtrans-70.7-29.7178.3-63.3-175.9-179.4-179.30113.8G226 N252G226-K228 PolarHBondContact O-N 3.18Å; K228-N252 WeakPolarHBondContact O-CA 3.19Å; K228-N252 PolarHBondContact O-ND2 3.44Å
229K98.4Very high98.6Very high133 Ų13330.5 Ų30.558%0.57816%0.155SC*.SBendtrans-136.9133.9175.9-68.6-163.7175.9-165.60109.7E251 N252 I254K229-E251 VanDerWaalsContact CE-O 3.29Å; K229-E251 WeakPolarHBondContact CE-O 3.38Å; K229-N252 CarbonylContact C-O 3.57Å; K229-N252 VanDerWaalsContact CA-O 3.26Å; K229-N252 WeakPolarHBondContact CA-O 3.22Å; K229-I254 HydrophobicContact CB-CD1 4.13Å; K229-I254 HydrophobicContact CB-CG1 3.81Å
230F98.9Very high98.6Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-150160.4-176.150.6-91.8000112.2P156 L158 M222 H227 I232 L245 N252 V253 I254P156-F230 HydrophobicContact CB-CB 3.92Å; P156-F230 WeakPolarHBondContact O-CA 3.45Å; L158-F230 HydrophobicContact CB-CD2 4.09Å; L158-F230 HydrophobicContact CB-CE2 4.37Å; L158-F230 HydrophobicContact CD2-CE2 4.01Å; M222-F230 HydrophobicContact CB-CD1 3.68Å; M222-F230 HydrophobicContact CB-CE1 3.35Å; M222-F230 HydrophobicContact CB-CE2 4.42Å; M222-F230 HydrophobicContact CB-CG 4.36Å; M222-F230 HydrophobicContact CB-CZ 3.77Å; M222-F230 HydrophobicContact CE-CB 3.57Å; M222-F230 HydrophobicContact CE-CD1 3.96Å; M222-F230 HydrophobicContact CE-CD2 4.04Å; M222-F230 HydrophobicContact CE-CG 3.6Å; M222-F230 HydrophobicContact CG-CD1 4.01Å; M222-F230 HydrophobicContact CG-CD2 4.16Å; M222-F230 HydrophobicContact CG-CE1 3.8Å; M222-F230 HydrophobicContact CG-CE2 3.96Å; M222-F230 HydrophobicContact CG-CG 4.19Å; M222-F230 HydrophobicContact CG-CZ 3.78Å; H227-F230 HydrophobicContact CB-CD1 4.34Å; F230-I232 HydrophobicContact CD2-CG1 4Å; F230-I232 HydrophobicContact CE2-CD1 4.26Å; F230-I232 HydrophobicContact CE2-CG1 3.93Å; F230-L245 HydrophobicContact CE2-CD1 4.32Å; F230-L245 HydrophobicContact CE2-CD2 3.98Å; F230-L245 HydrophobicContact CZ-CD1 4.42Å; F230-L245 HydrophobicContact CZ-CD2 3.91Å; F230-N252 HydrophobicContact CE1-CB 4.03Å; F230-N252 HydrophobicContact CZ-CB 4.31Å; F230-N252 PolarHBondContact N-O 3.46Å; F230-V253 WeakPolarHBondContact O-CA 3.19Å; F230-I254 PolarHBondContact O-N 3.33Å
231F98.9Very high98.6Very high0 Ų029.2 Ų29.20%015%0.151CC..EExtended strand (participates in β ladder)trans-81.7155.7166.5-77.8-74000111.1Y155 P156 L157 L158 F188 I254 G255 F453 F456 V457 I460 L462Y155-F231 HydrophobicContact CD1-CE2 4.17Å; Y155-F231 HydrophobicContact CD2-CE2 4.23Å; Y155-F231 HydrophobicContact CG-CD2 4.26Å; Y155-F231 AromaticContact CG-CE2 3.82Å; Y155-F231 HydrophobicContact CG-CE2 3.82Å; P156-F231 PolarHBondContact O-N 2.8Å; L157-F231 HydrophobicContact CD1-CB 3.7Å; L158-F231 PolarHBondContact N-O 3.01Å; F188-F231 HydrophobicContact CD1-CD2 4.46Å; F188-F231 HydrophobicContact CE1-CD2 4.05Å; F188-F231 HydrophobicContact CE1-CE2 4.31Å; F231-I254 HydrophobicContact CD1-CB 4.18Å; F231-I254 HydrophobicContact CD1-CG2 4.31Å; F231-I254 HydrophobicContact CD2-CB 4.37Å; F231-I254 HydrophobicContact CD2-CD1 4.28Å; F231-I254 HydrophobicContact CD2-CG2 4.42Å; F231-I254 HydrophobicContact CE1-CB 4.02Å; F231-I254 HydrophobicContact CE1-CG2 3.66Å; F231-I254 HydrophobicContact CE2-CB 4.24Å; F231-I254 HydrophobicContact CE2-CD1 4.28Å; F231-I254 HydrophobicContact CE2-CG2 3.8Å; F231-I254 HydrophobicContact CG-CB 4.35Å; F231-I254 HydrophobicContact CZ-CB 4.08Å; F231-I254 HydrophobicContact CZ-CG2 3.39Å; F231-G255 WeakPolarHBondContact CD1-O 3.44Å; F231-F453 HydrophobicContact CB-CZ 4.19Å; F231-F453 HydrophobicContact CG-CZ 4.37Å; F231-F456 HydrophobicContact CD1-CE1 4.36Å; F231-F456 HydrophobicContact CE1-CE1 4.33Å; F231-V457 HydrophobicContact CD1-CG2 4.33Å; F231-V457 HydrophobicContact CE1-CG2 3.94Å; F231-V457 HydrophobicContact CE2-CG1 4.13Å; F231-V457 HydrophobicContact CE2-CG2 4.28Å; F231-V457 HydrophobicContact CZ-CB 4.35Å; F231-V457 HydrophobicContact CZ-CG1 3.85Å; F231-V457 HydrophobicContact CZ-CG2 3.89Å; F231-I460 HydrophobicContact CE1-CD1 3.47Å; F231-I460 VanDerWaalsContact CE1-CD1 3.47Å; F231-I460 HydrophobicContact CZ-CD1 4.02Å; F231-L462 HydrophobicContact CE2-CD1 3.98Å; F231-L462 HydrophobicContact CZ-CD1 3.68Å
232I98.9Very high98.6Very high0 Ų029.2 Ų29.20%015%0.151CC..EExtended strand (participates in β ladder)trans-126135.2172.5-51170.3000108.4L158 L160 F230 L245 V253 G255 Y256 H257L158-I232 WeakPolarHBondContact O-CA 3.3Å; L160-I232 HydrophobicContact CD1-CG2 3.91Å; F230-I232 HydrophobicContact CD2-CG1 4Å; F230-I232 HydrophobicContact CE2-CD1 4.26Å; F230-I232 HydrophobicContact CE2-CG1 3.93Å; I232-L245 HydrophobicContact CD1-CB 3.88Å; I232-L245 HydrophobicContact CD1-CD1 4.24Å; I232-L245 HydrophobicContact CD1-CD2 3.73Å; I232-L245 HydrophobicContact CD1-CG 4.14Å; I232-V253 HydrophobicContact CD1-CB 4.44Å; I232-V253 HydrophobicContact CD1-CG1 3.74Å; I232-V253 HydrophobicContact CD1-CG2 3.76Å; I232-V253 HydrophobicContact CG1-CG1 4.09Å; I232-G255 PolarHBondContact N-O 2.82Å; I232-G255 VanDerWaalsContact N-O 3.09Å; I232-Y256 HydrophobicContact CB-CD2 4.16Å; I232-Y256 HydrophobicContact CG2-CD2 4.17Å; I232-H257 PolarHBondContact O-N 3.11Å
233Q98.9Very high98.6Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-130.8135.9167.9-169.1-75.9-41.600109.4L157 L158 L159 L160 H257 N259 F453L157-Q233 HydrophobicContact CD1-CB 4.02Å; L158-Q233 PolarHBondContact O-N 2.84Å; L159-Q233 WeakPolarHBondContact CA-O 3.13Å; L159-Q233 HydrophobicContact CD2-CB 3.74Å; L159-Q233 HydrophobicContact CD2-CG 4.41Å; L160-Q233 PolarHBondContact N-O 3.24Å; Q233-H257 VanDerWaalsContact CA-O 3.3Å; Q233-H257 WeakPolarHBondContact CA-O 3.32Å; Q233-H257 HydrophobicContact CB-CB 4.49Å; Q233-H257 HydrophobicContact CG-CB 4.27Å; Q233-N259 PolarHBondContact NE2-OD1 3.24Å; Q233-F453 HydrophobicContact CB-CD2 4.49Å; Q233-F453 HydrophobicContact CB-CE2 4.42Å; Q233-F453 HydrophobicContact CG-CD2 4.34Å
234G98.6Very high98.6Very high0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-168.3151.2174.400000114.9L160 H257 S258 N259L160-G234 VanDerWaalsContact O-CA 3.3Å; L160-G234 WeakPolarHBondContact O-CA 3.1Å; G234-H257 PolarHBondContact N-O 3Å; G234-S258 WeakPolarHBondContact O-CA 3.41Å; G234-S258 PolarHBondContact O-OG 2.92Å; G234-N259 PolarHBondContact O-N 3.1Å
235G98.1Very high98.7Very high12 Ų1223.6 Ų23.612%0.12413%0.127CC..SBendtrans-111.2175.5167.700000110.7W237 G238 S239 N259G235-W237 PolarHBondContact O-N 3.42Å; G235-G238 CarbonylContact O-C 3.59Å; G235-G238 WeakPolarHBondContact O-CA 3.33Å; G235-G238 PolarHBondContact O-N 2.9Å; G235-S239 PolarHBondContact O-N 3.22Å; G235-N259 WeakPolarHBondContact CA-OD1 3.33Å; G235-N259 PolarHBondContact N-OD1 3.36Å
236D98.6Very high98.7Very high15 Ų1522.3 Ų22.38%0.0812%0.12CC..Hα-helixtrans45.4-129.4177.7-171.5-110.3000113.1G162 W163 G238 S239 I240 M260 H439G162-D236 WeakPolarHBondContact CA-OD1 3.4Å; W163-D236 PolarHBondContact N-OD1 3.42Å; D236-G238 PolarHBondContact O-N 3.19Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.24Å; D236-S239 PolarHBondContact O-OG 2.91Å; D236-I240 PolarHBondContact O-N 3.37Å; D236-M260 WeakPolarHBondContact CA-SD 3.46Å; D236-H439 WeakPolarHBondContact CB-NE2 3.36Å; D236-H439 IonicContact OD2-CE1 3.34Å; D236-H439 IonicContact OD2-NE2 2.71Å; D236-H439 PolarHBondContact OD2-NE2 3.1Å
237W98.8Very high98.7Very high12 Ų1219.9 Ų19.95%0.0459%0.094CC..Hα-helixtrans-56.8-36.7173.7-73.7119000113L195 G235 S239 I240 I241 F309 F381 Y382 N385L195-W237 HydrophobicContact CD1-CB 4.2Å; G235-W237 PolarHBondContact O-N 3.42Å; W237-S239 PolarHBondContact O-N 2.93Å; W237-I240 HydrophobicContact CE3-CB 4.35Å; W237-I240 HydrophobicContact CE3-CD1 3.61Å; W237-I240 HydrophobicContact CZ3-CD1 3.57Å; W237-I240 PolarHBondContact O-N 3.13Å; W237-I241 HydrophobicContact CB-CD1 4.19Å; W237-I241 WeakPolarHBondContact O-CB 3.29Å; W237-I241 VanDerWaalsContact O-CD1 3.31Å; W237-I241 WeakPolarHBondContact O-CD1 3.46Å; W237-I241 WeakPolarHBondContact O-CG1 3.34Å; W237-I241 PolarHBondContact O-N 3.41Å; W237-F309 HydrophobicContact CH2-CE2 4.4Å; W237-F309 HydrophobicContact CZ2-CE2 4.45Å; W237-F381 HydrophobicContact CB-CE1 4.11Å; W237-F381 AromaticContact CD2-CD1 3.69Å; W237-F381 HydrophobicContact CD2-CD1 3.69Å; W237-F381 AromaticContact CD2-CE1 3.57Å; W237-F381 HydrophobicContact CD2-CE1 3.57Å; W237-F381 AromaticContact CE2-CD1 3.87Å; W237-F381 HydrophobicContact CE3-CD1 4.07Å; W237-F381 AromaticContact CE3-CE1 3.61Å; W237-F381 HydrophobicContact CE3-CE1 3.61Å; W237-F381 AromaticContact CG-CD1 3.94Å; W237-F381 HydrophobicContact CG-CD1 3.94Å; W237-F381 AromaticContact CG-CE1 3.79Å; W237-F381 HydrophobicContact CG-CE1 3.79Å; W237-F381 HydrophobicContact CZ2-CD1 4.39Å; W237-F381 HydrophobicContact CZ3-CE1 4.3Å; W237-Y382 AromaticContact CE2-CZ 3.82Å; W237-Y382 AromaticContact CZ2-CD1 3.6Å; W237-Y382 HydrophobicContact CZ2-CD1 3.6Å; W237-Y382 HydrophobicContact CZ2-CD2 4.09Å; W237-Y382 AromaticContact CZ2-CE1 3.58Å; W237-Y382 HydrophobicContact CZ2-CE1 3.58Å; W237-Y382 HydrophobicContact CZ2-CE2 4.09Å; W237-Y382 AromaticContact CZ2-CG 3.83Å; W237-Y382 HydrophobicContact CZ2-CG 3.83Å; W237-Y382 AromaticContact CZ2-CZ 3.82Å; W237-Y382 AromaticContact NE1-CE1 3.9Å; W237-Y382 AromaticContact NE1-CE2 3.34Å; W237-Y382 VanDerWaalsContact NE1-CE2 3.34Å; W237-Y382 AromaticContact NE1-CZ 3.22Å; W237-Y382 PolarHBondContact NE1-OH 2.89Å; W237-Y382 VanDerWaalsContact NE1-OH 3.16Å; W237-N385 HydrophobicContact CH2-CB 3.69Å; W237-N385 HydrophobicContact CZ3-CB 3.8Å
238G98.8Very high98.6Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-58-32.7174.700000113.1L160 H161 G235 D236 G242L160-G238 VanDerWaalsContact CB-CA 3.42Å; H161-G238 WeakPolarHBondContact O-CA 3.28Å; H161-G238 PolarHBondContact O-N 2.83Å; H161-G238 VanDerWaalsContact O-N 3.11Å; G235-G238 CarbonylContact O-C 3.59Å; G235-G238 WeakPolarHBondContact O-CA 3.33Å; G235-G238 PolarHBondContact O-N 2.9Å; D236-G238 PolarHBondContact O-N 3.19Å; G238-G242 PolarHBondContact O-N 3.42Å
239S98.7Very high98.6Very high3 Ų311.8 Ų11.82%0.0216%0.058CC..Hα-helixtrans-66.6-46.7172.178.70000111.4G235 D236 W237 I241 G242 S243 Y256 S258 M260G235-S239 PolarHBondContact O-N 3.22Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.24Å; D236-S239 PolarHBondContact O-OG 2.91Å; W237-S239 PolarHBondContact O-N 2.93Å; S239-I241 PolarHBondContact O-N 3.15Å; S239-G242 PolarHBondContact O-N 3.29Å; S239-S243 WeakPolarHBondContact O-CB 3.36Å; S239-S243 PolarHBondContact O-N 2.83Å; S239-Y256 WeakPolarHBondContact CA-OH 3.14Å; S239-Y256 PolarHBondContact O-OH 3.08Å; S239-S258 VanDerWaalsContact CB-OG 3.25Å; S239-S258 WeakPolarHBondContact CB-OG 3.45Å; S239-M260 WeakPolarHBondContact CB-O 3.48Å; S239-M260 PolarHBondContact OG-O 3.23Å; S239-M260 PolarHBondContact OG-SD 3.32Å; S239-M260 VanDerWaalsContact OG-SD 3.36Å
240I98.7Very high98.6Very high43 Ų437.3 Ų7.322%0.2214%0.043CC..Hα-helixtrans-64.9-43.4-179.7-62.2171.1000110.3A211 D236 W237 S243 N244 Y390A211-I240 HydrophobicContact CB-CG2 3.88Å; D236-I240 PolarHBondContact O-N 3.37Å; W237-I240 HydrophobicContact CE3-CB 4.35Å; W237-I240 HydrophobicContact CE3-CD1 3.61Å; W237-I240 HydrophobicContact CZ3-CD1 3.57Å; W237-I240 PolarHBondContact O-N 3.13Å; I240-S243 WeakPolarHBondContact O-CB 3.34Å; I240-S243 PolarHBondContact O-N 3.22Å; I240-N244 WeakPolarHBondContact O-CB 3.39Å; I240-N244 VanDerWaalsContact O-CG 3.26Å; I240-N244 PolarHBondContact O-N 2.97Å; I240-Y390 WeakPolarHBondContact CG2-OH 3.27Å
241I98.9Very high98.5Very high0 Ų011.8 Ų11.80%06%0.064CC..Hα-helixtrans-64.3-46.8177.5-63.5156.8000110.4L160 L195 A211 M214 A215 M218 W237 S239 S243 N244 L245 F381L160-I241 HydrophobicContact CD1-CB 4.07Å; L160-I241 HydrophobicContact CD1-CG2 3.75Å; L195-I241 HydrophobicContact CD1-CD1 3.8Å; L195-I241 HydrophobicContact CD2-CD1 3.71Å; L195-I241 HydrophobicContact CG-CD1 4.42Å; A211-I241 HydrophobicContact CB-CG1 4.22Å; M214-I241 HydrophobicContact CB-CD1 4.33Å; M214-I241 HydrophobicContact CB-CG1 4.13Å; M214-I241 HydrophobicContact CB-CG2 4.42Å; M214-I241 HydrophobicContact CG-CD1 3.54Å; M214-I241 HydrophobicContact CG-CG1 3.84Å; M214-I241 HydrophobicContact CG-CG2 4.02Å; A215-I241 HydrophobicContact CB-CG2 4.17Å; M218-I241 HydrophobicContact CG-CG2 4.37Å; W237-I241 HydrophobicContact CB-CD1 4.19Å; W237-I241 WeakPolarHBondContact O-CB 3.29Å; W237-I241 VanDerWaalsContact O-CD1 3.31Å; W237-I241 WeakPolarHBondContact O-CD1 3.46Å; W237-I241 WeakPolarHBondContact O-CG1 3.34Å; W237-I241 PolarHBondContact O-N 3.41Å; S239-I241 PolarHBondContact O-N 3.15Å; I241-S243 PolarHBondContact O-N 2.94Å; I241-N244 PolarHBondContact O-N 3.45Å; I241-L245 WeakPolarHBondContact O-CB 3.46Å; I241-L245 PolarHBondContact O-N 2.88Å; I241-F381 HydrophobicContact CD1-CE1 4.35Å; I241-F381 HydrophobicContact CD1-CZ 4.23Å; I241-F381 HydrophobicContact CG1-CZ 4.31Å
242G98.8Very high98.5Very high0 Ų012.5 Ų12.50%07%0.068CC..Hα-helixtrans-62.6-41.4178.300000112.9G238 S239 L245 A246G238-G242 PolarHBondContact O-N 3.42Å; S239-G242 PolarHBondContact O-N 3.29Å; G242-L245 PolarHBondContact O-N 3.46Å; G242-A246 WeakPolarHBondContact O-CB 3.2Å; G242-A246 PolarHBondContact O-N 3Å
243S98.8Very high98.5Very high9 Ų913 Ų136%0.0637%0.07CC..Hα-helixtrans-58.4-45.5172.5165.20000111.8S239 I240 I241 T247 K424S239-S243 WeakPolarHBondContact O-CB 3.36Å; S239-S243 PolarHBondContact O-N 2.83Å; I240-S243 WeakPolarHBondContact O-CB 3.34Å; I240-S243 PolarHBondContact O-N 3.22Å; I241-S243 PolarHBondContact O-N 2.94Å; S243-T247 WeakPolarHBondContact O-CB 3.49Å; S243-T247 PolarHBondContact O-N 3.18Å; S243-T247 VanDerWaalsContact O-N 3.09Å; S243-T247 PolarHBondContact O-OG1 2.88Å; S243-K424 WeakPolarHBondContact OG-CE 3.39Å; S243-K424 PolarHBondContact OG-NZ 2.84Å
244N98.6Very high98.5Very high1 Ų114.2 Ų14.21%0.0058%0.077CC..Hα-helixtrans-65.9-42176.2-71.9-8.9000111.7A211 A212 A215 I240 I241 T247 L248 Y390 L395A211-N244 WeakPolarHBondContact CB-ND2 3.39Å; A212-N244 PolarHBondContact N-ND2 3.24Å; A215-N244 HydrophobicContact CB-CB 3.97Å; I240-N244 WeakPolarHBondContact O-CB 3.39Å; I240-N244 VanDerWaalsContact O-CG 3.26Å; I240-N244 PolarHBondContact O-N 2.97Å; I241-N244 PolarHBondContact O-N 3.45Å; N244-T247 PolarHBondContact O-N 2.91Å; N244-T247 VanDerWaalsContact O-N 3.14Å; N244-L248 WeakPolarHBondContact O-CB 3.33Å; N244-L248 WeakPolarHBondContact O-CG 3.48Å; N244-L248 PolarHBondContact O-N 3.32Å; N244-Y390 PolarHBondContact ND2-OH 3.21Å; N244-L395 HydrophobicContact CB-CD1 4.14Å; N244-L395 VanDerWaalsContact CG-CD1 3.5Å; N244-L395 WeakPolarHBondContact OD1-CD1 3.45Å
245L98.6Very high98.5Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-62.2-46.7177.8-152.8156.4000111.2L158 A215 M218 R219 F230 I232 I241 G242 T247 L248 Y249 V253L158-L245 HydrophobicContact CD2-CD1 4.09Å; A215-L245 HydrophobicContact CB-CB 4Å; A215-L245 HydrophobicContact CB-CG 4.39Å; A215-L245 WeakPolarHBondContact O-CD1 3.32Å; M218-L245 HydrophobicContact CB-CD1 4.17Å; R219-L245 HydrophobicContact CB-CD1 4.23Å; R219-L245 HydrophobicContact CB-CG 4.42Å; F230-L245 HydrophobicContact CE2-CD1 4.32Å; F230-L245 HydrophobicContact CE2-CD2 3.98Å; F230-L245 HydrophobicContact CZ-CD1 4.42Å; F230-L245 HydrophobicContact CZ-CD2 3.91Å; I232-L245 HydrophobicContact CD1-CB 3.88Å; I232-L245 HydrophobicContact CD1-CD1 4.24Å; I232-L245 HydrophobicContact CD1-CD2 3.73Å; I232-L245 HydrophobicContact CD1-CG 4.14Å; I241-L245 WeakPolarHBondContact O-CB 3.46Å; I241-L245 PolarHBondContact O-N 2.88Å; G242-L245 PolarHBondContact O-N 3.46Å; L245-T247 PolarHBondContact O-N 2.71Å; L245-L248 PolarHBondContact O-N 3.38Å; L245-Y249 HydrophobicContact CG-CD2 4.34Å; L245-Y249 CarbonylContact O-C 3.58Å; L245-Y249 WeakPolarHBondContact O-CA 3.37Å; L245-Y249 PolarHBondContact O-N 2.97Å; L245-V253 HydrophobicContact CD2-CG2 3.42Å; L245-V253 VanDerWaalsContact CD2-CG2 3.42Å
246A98.6Very high98.6Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-63.4-23.7175.800000113.4G242 Y256 S400 V402G242-A246 WeakPolarHBondContact O-CB 3.2Å; G242-A246 PolarHBondContact O-N 3Å; A246-Y256 HydrophobicContact CB-CD1 4.39Å; A246-Y256 HydrophobicContact CB-CG 4.42Å; A246-S400 PolarHBondContact O-OG 3.38Å; A246-V402 HydrophobicContact CB-CB 4.16Å; A246-V402 HydrophobicContact CB-CG1 4.35Å; A246-V402 HydrophobicContact CB-CG2 4.09Å; A246-V402 WeakPolarHBondContact O-CG2 3.45Å
247T98.3Very high98.6Very high4 Ų413.2 Ų13.23%0.0257%0.068CC..Hα-helixtrans-86.8-46178.2-59.10000111.9S243 N244 L245 L395 V398S243-T247 WeakPolarHBondContact O-CB 3.49Å; S243-T247 PolarHBondContact O-N 3.18Å; S243-T247 VanDerWaalsContact O-N 3.09Å; S243-T247 PolarHBondContact O-OG1 2.88Å; N244-T247 PolarHBondContact O-N 2.91Å; N244-T247 VanDerWaalsContact O-N 3.14Å; L245-T247 PolarHBondContact O-N 2.71Å; T247-L395 HydrophobicContact CG2-CD2 4.34Å; T247-V398 HydrophobicContact CG2-CB 3.77Å; T247-V398 HydrophobicContact CG2-CG1 3.54Å
248L98.1Very high98.6Very high2 Ų212.7 Ų12.71%0.017%0.066CC..Hα-helixtrans-78.4-37.1-173.9-69.3172.1000112.2K34 P35 F37 A212 N244 L245 P250 L395K34-L248 HydrophobicContact CG-CD2 4.47Å; K34-L248 PolarHBondContact NZ-O 3.17Å; P35-L248 HydrophobicContact CG-CD2 4.5Å; F37-L248 HydrophobicContact CB-CD2 4.31Å; F37-L248 HydrophobicContact CD1-CD1 4.4Å; F37-L248 HydrophobicContact CG-CD2 4.4Å; A212-L248 HydrophobicContact CB-CD1 3.99Å; N244-L248 WeakPolarHBondContact O-CB 3.33Å; N244-L248 WeakPolarHBondContact O-CG 3.48Å; N244-L248 PolarHBondContact O-N 3.32Å; L245-L248 PolarHBondContact O-N 3.38Å; L248-P250 VanDerWaalsContact C-CD 3.44Å; L248-L395 HydrophobicContact CD1-CD1 4.38Å; L248-L395 HydrophobicContact CD2-CD2 3.96Å; L248-L395 HydrophobicContact CG-CD2 4.42Å
249Y98.1Very high98.5Very high13 Ų1313 Ų135%0.0517%0.068CC..  trans-131.552.4-171.1-48-71.2000112.8D39 T216 R219 L245 E251 N252D39-Y249 HydrophobicContact CB-CE1 4.26Å; D39-Y249 WeakPolarHBondContact CB-OH 3.35Å; T216-Y249 PolarHBondContact OG1-OH 3.45Å; R219-Y249 HydrophobicContact CB-CD2 4.38Å; L245-Y249 HydrophobicContact CG-CD2 4.34Å; L245-Y249 CarbonylContact O-C 3.58Å; L245-Y249 WeakPolarHBondContact O-CA 3.37Å; L245-Y249 PolarHBondContact O-N 2.97Å; Y249-E251 WeakPolarHBondContact CA-OE2 3.42Å; Y249-E251 PolarHBondContact O-N 3.25Å; Y249-N252 PolarHBondContact O-N 2.9Å
250P97.9Very high98.5Very high39 Ų3913.8 Ų13.825%0.2537%0.072SC..G310 helixtrans-58.1-23.1-176.926.6-36.3000113.5L248 N252 V253 P401 V402L248-P250 VanDerWaalsContact C-CD 3.44Å; P250-N252 PolarHBondContact O-N 3.48Å; P250-V253 PolarHBondContact O-N 3.47Å; P250-P401 HydrophobicContact CB-CG 3.7Å; P250-P401 HydrophobicContact CG-CG 4.22Å; P250-V402 HydrophobicContact CB-CG2 3.74Å
251E97.9Very high98.4Very high94 Ų9412 Ų1244%0.4396%0.063SC..G310 helixtrans-64.1-25.2175.469.1-79.3-174.100113.9R219 K229 Y249R219-E251 IonicContact NH2-OE1 3.42Å; K229-E251 VanDerWaalsContact CE-O 3.29Å; K229-E251 WeakPolarHBondContact CE-O 3.38Å; Y249-E251 WeakPolarHBondContact CA-OE2 3.42Å; Y249-E251 PolarHBondContact O-N 3.25Å
252N98.6Very high98.2Very high15 Ų1513.6 Ų13.68%0.087%0.073CC..G310 helixtrans-94.6-9179.8-63.8124.8000113.2R219 K228 K229 F230 Y249 P250R219-N252 PolarHBondContact NE-OD1 2.89Å; K228-N252 WeakPolarHBondContact O-CA 3.19Å; K228-N252 PolarHBondContact O-ND2 3.44Å; K229-N252 CarbonylContact C-O 3.57Å; K229-N252 VanDerWaalsContact CA-O 3.26Å; K229-N252 WeakPolarHBondContact CA-O 3.22Å; F230-N252 HydrophobicContact CE1-CB 4.03Å; F230-N252 HydrophobicContact CZ-CB 4.31Å; F230-N252 PolarHBondContact N-O 3.46Å; Y249-N252 PolarHBondContact O-N 2.9Å; P250-N252 PolarHBondContact O-N 3.48Å
253V98.8Very high98Very high10 Ų1013.9 Ų13.96%0.0617%0.074CC..EExtended strand (participates in β ladder)trans-109.5120.9-171.8-168.90000111.3F230 I232 L245 P250 V402F230-V253 WeakPolarHBondContact O-CA 3.19Å; I232-V253 HydrophobicContact CD1-CB 4.44Å; I232-V253 HydrophobicContact CD1-CG1 3.74Å; I232-V253 HydrophobicContact CD1-CG2 3.76Å; I232-V253 HydrophobicContact CG1-CG1 4.09Å; L245-V253 HydrophobicContact CD2-CG2 3.42Å; L245-V253 VanDerWaalsContact CD2-CG2 3.42Å; P250-V253 PolarHBondContact O-N 3.47Å; V253-V402 HydrophobicContact CB-CG1 4.01Å; V253-V402 HydrophobicContact CB-CG2 4.02Å; V253-V402 HydrophobicContact CG1-CG1 3.55Å; V253-V402 HydrophobicContact CG1-CG2 4.42Å
254I98.6Very high97.7Very high27 Ų2719.7 Ų19.714%0.13810%0.1CC..EExtended strand (participates in β ladder)trans-75.2-45175.5-58173.8000110.1Y155 K229 F230 F231 L462Y155-I254 HydrophobicContact CD1-CD1 3.8Å; Y155-I254 HydrophobicContact CE1-CD1 4.34Å; K229-I254 HydrophobicContact CB-CD1 4.13Å; K229-I254 HydrophobicContact CB-CG1 3.81Å; F230-I254 PolarHBondContact O-N 3.33Å; F231-I254 HydrophobicContact CD1-CB 4.18Å; F231-I254 HydrophobicContact CD1-CG2 4.31Å; F231-I254 HydrophobicContact CD2-CB 4.37Å; F231-I254 HydrophobicContact CD2-CD1 4.28Å; F231-I254 HydrophobicContact CD2-CG2 4.42Å; F231-I254 HydrophobicContact CE1-CB 4.02Å; F231-I254 HydrophobicContact CE1-CG2 3.66Å; F231-I254 HydrophobicContact CE2-CB 4.24Å; F231-I254 HydrophobicContact CE2-CD1 4.28Å; F231-I254 HydrophobicContact CE2-CG2 3.8Å; F231-I254 HydrophobicContact CG-CB 4.35Å; F231-I254 HydrophobicContact CZ-CB 4.08Å; F231-I254 HydrophobicContact CZ-CG2 3.39Å; I254-L462 HydrophobicContact CG2-CD1 3.72Å; I254-L462 HydrophobicContact CG2-CD2 3.88Å; I254-L462 HydrophobicContact CG2-CG 4.42Å
255G98.7Very high97.5Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-166.3149.7177.200000110.1F231 I232 P403F231-G255 WeakPolarHBondContact CD1-O 3.44Å; I232-G255 PolarHBondContact N-O 2.82Å; I232-G255 VanDerWaalsContact N-O 3.09Å; G255-P403 WeakPolarHBondContact CA-O 3.37Å
256Y98.9Very high97.2Very high6 Ų622.5 Ų22.52%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-113127.1176.7167-133.7000108.9I232 S239 A246 S258 P403 M404 G405 F425 F456I232-Y256 HydrophobicContact CB-CD2 4.16Å; I232-Y256 HydrophobicContact CG2-CD2 4.17Å; S239-Y256 WeakPolarHBondContact CA-OH 3.14Å; S239-Y256 PolarHBondContact O-OH 3.08Å; A246-Y256 HydrophobicContact CB-CD1 4.39Å; A246-Y256 HydrophobicContact CB-CG 4.42Å; Y256-S258 VanDerWaalsContact OH-CB 3.3Å; Y256-S258 WeakPolarHBondContact OH-CB 2.9Å; Y256-S258 PolarHBondContact OH-OG 3.39Å; Y256-P403 PolarHBondContact N-O 2.94Å; Y256-M404 HydrophobicContact CD1-CE 3.9Å; Y256-M404 HydrophobicContact CD1-SD 3.12Å; Y256-M404 WeakPolarHBondContact CD1-SD 3.29Å; Y256-M404 HydrophobicContact CE1-CE 3.52Å; Y256-M404 HydrophobicContact CE1-SD 3.44Å; Y256-M404 WeakPolarHBondContact CE1-SD 3.29Å; Y256-M404 HydrophobicContact CG-SD 3.75Å; Y256-M404 CarbonylContact O-C 3.36Å; Y256-M404 WeakPolarHBondContact O-CA 3.38Å; Y256-G405 PolarHBondContact O-N 3.46Å; Y256-F425 AromaticContact CD1-CE1 3.84Å; Y256-F425 HydrophobicContact CD1-CE1 3.84Å; Y256-F425 AromaticContact CD1-CZ 3.88Å; Y256-F425 HydrophobicContact CD1-CZ 3.88Å; Y256-F425 HydrophobicContact CE1-CE1 4.14Å; Y256-F425 HydrophobicContact CE1-CE2 4.37Å; Y256-F425 AromaticContact CE1-CZ 3.68Å; Y256-F425 HydrophobicContact CE1-CZ 3.68Å; Y256-F456 VanDerWaalsContact O-CZ 3.29Å; Y256-F456 WeakPolarHBondContact O-CZ 3.49Å
257H98.9Very high97Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-116.1132174.2-176-85.1000109.7I232 Q233 G234 G405 D452 F453 F456I232-H257 PolarHBondContact O-N 3.11Å; Q233-H257 VanDerWaalsContact CA-O 3.3Å; Q233-H257 WeakPolarHBondContact CA-O 3.32Å; Q233-H257 HydrophobicContact CB-CB 4.49Å; Q233-H257 HydrophobicContact CG-CB 4.27Å; G234-H257 PolarHBondContact N-O 3Å; H257-G405 CarbonylContact C-O 3.59Å; H257-G405 WeakPolarHBondContact CA-O 3.25Å; H257-D452 IonicContact CD2-OD2 3.5Å; H257-D452 IonicContact CE1-OD2 2.74Å; H257-D452 IonicContact NE2-OD2 3.86Å; H257-D452 PolarHBondContact NE2-OD2 3.46Å; H257-F453 HydrophobicContact CB-CD2 3.66Å; H257-F453 HydrophobicContact CB-CE2 4.02Å; H257-F453 AromaticContact CG-CD2 3.74Å; H257-F456 HydrophobicContact CB-CD1 3.86Å; H257-F456 HydrophobicContact CB-CE1 3.89Å; H257-F456 AromaticContact CD2-CD1 3.91Å
258S98.8Very high96.9Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-124.5142.6175.9-173.30000111.2G234 S239 Y256 M260 M404 G405 C406 A407G234-S258 WeakPolarHBondContact O-CA 3.41Å; G234-S258 PolarHBondContact O-OG 2.92Å; S239-S258 VanDerWaalsContact CB-OG 3.25Å; S239-S258 WeakPolarHBondContact CB-OG 3.45Å; Y256-S258 VanDerWaalsContact OH-CB 3.3Å; Y256-S258 WeakPolarHBondContact OH-CB 2.9Å; Y256-S258 PolarHBondContact OH-OG 3.39Å; S258-M260 VanDerWaalsContact OG-C 3.25Å; S258-M260 PolarHBondContact OG-N 2.97Å; S258-M260 PolarHBondContact OG-O 3.2Å; S258-M404 VanDerWaalsContact CB-CE 3.47Å; S258-G405 PolarHBondContact N-O 3.48Å; S258-C406 WeakPolarHBondContact O-CA 3.33Å; S258-A407 PolarHBondContact O-N 3.07Å
259N98.5Very high96.6Very high7 Ų728.6 Ų28.64%0.03715%0.149CC..SBendtrans-1057.1163.868.7-90.3000113.6Q233 G234 G235 A407 F409 A441 L449Q233-N259 PolarHBondContact NE2-OD1 3.24Å; G234-N259 PolarHBondContact O-N 3.1Å; G235-N259 WeakPolarHBondContact CA-OD1 3.33Å; G235-N259 PolarHBondContact N-OD1 3.36Å; N259-A407 CarbonylContact C-O 3.5Å; N259-A407 WeakPolarHBondContact CA-O 3.48Å; N259-A407 HydrophobicContact CB-CB 4.17Å; N259-F409 HydrophobicContact CB-CD2 4.33Å; N259-F409 HydrophobicContact CB-CE2 4.05Å; N259-A441 HydrophobicContact CB-CB 4.27Å; N259-L449 HydrophobicContact CB-CD1 4.09Å
260M97.6Very high96.4Very high20 Ų2032 Ų3210%0.09917%0.168CC..SBendtrans-131.388.6169.8-175.6-145.9-177.500108.3D236 S239 S258 V262 L413D236-M260 WeakPolarHBondContact CA-SD 3.46Å; S239-M260 WeakPolarHBondContact CB-O 3.48Å; S239-M260 PolarHBondContact OG-O 3.23Å; S239-M260 PolarHBondContact OG-SD 3.32Å; S239-M260 VanDerWaalsContact OG-SD 3.36Å; S258-M260 VanDerWaalsContact OG-C 3.25Å; S258-M260 PolarHBondContact OG-N 2.97Å; S258-M260 PolarHBondContact OG-O 3.2Å; M260-V262 HydrophobicContact CE-CG1 3.94Å; M260-V262 HydrophobicContact CE-CG2 3.94Å; M260-V262 HydrophobicContact CG-CG1 4.23Å; M260-V262 PolarHBondContact O-N 3.08Å; M260-V262 HydrophobicContact SD-CG2 4.25Å; M260-L413 HydrophobicContact CE-CD1 3.48Å; M260-L413 VanDerWaalsContact CE-CD1 3.48Å
261C96.9Very high96.2Very high6 Ų631 Ų314%0.04116%0.16CC..  trans-95.578.8-170.9-510000111.5C406 S415 V416 L421C261-C406 HydrophobicContact CB-CB 4.14Å; C261-C406 WeakPolarHBondContact CB-SG 3.38Å; C261-C406 VanDerWaalsContact SG-CA 3.5Å; C261-C406 WeakPolarHBondContact SG-CB 3.27Å; C261-C406 CovalentContact SG-SG 2.01Å; C261-C406 PolarHBondContact SG-SG 3.28Å; C261-S415 CarbonylContact O-C 3.39Å; C261-S415 WeakPolarHBondContact O-CA 3.33Å; C261-V416 PolarHBondContact O-N 3.43Å; C261-L421 HydrophobicContact CB-CD1 3.81Å; C261-L421 HydrophobicContact CB-CD2 4.23Å
262V94.7Very high96Very high33 Ų3326.7 Ų26.720%0.214%0.14CC..  trans-104.6155.3178.4-63.80000111.7M260M260-V262 HydrophobicContact CE-CG1 3.94Å; M260-V262 HydrophobicContact CE-CG2 3.94Å; M260-V262 HydrophobicContact CG-CG1 4.23Å; M260-V262 PolarHBondContact O-N 3.08Å; M260-V262 HydrophobicContact SD-CG2 4.25Å
263L95.3Very high95.7Very high6 Ų629.9 Ų29.93%0.03116%0.157CC..  trans-152.4121.4175.4-17861.8000110.4T265 A268 D396 V416 Q420 K424L263-T265 HydrophobicContact CD1-CG2 3.97Å; L263-T265 HydrophobicContact CG-CG2 4.18Å; L263-A268 HydrophobicContact CB-CB 4.35Å; L263-A268 HydrophobicContact CD2-CB 3.93Å; L263-A268 HydrophobicContact CG-CB 3.94Å; L263-D396 HydrophobicContact CD1-CB 3.87Å; L263-V416 HydrophobicContact CB-CG1 4.14Å; L263-V416 HydrophobicContact CB-CG2 3.85Å; L263-Q420 VanDerWaalsContact CD2-O 3.23Å; L263-Q420 WeakPolarHBondContact CD2-O 3.43Å; L263-K424 HydrophobicContact CD1-CB 3.83Å; L263-K424 HydrophobicContact CD1-CD 3.56Å; L263-K424 HydrophobicContact CD1-CG 4.3Å; L263-K424 HydrophobicContact CD2-CB 4.13Å
264H91.1Very high95.4Very high130 Ų13034.2 Ų34.260%0.60217%0.173SC*.  trans-114.370.6-175.4-63-75.6000111.7D396H264-D396 PolarHBondContact N-OD2 2.86Å; H264-D396 VanDerWaalsContact N-OD2 3.13Å
265T95Very high95.1Very high9 Ų933 Ų336%0.05517%0.166CC..  trans-113.8155.117169.80000111.3L263 L267 A268 I269 D396 R397L263-T265 HydrophobicContact CD1-CG2 3.97Å; L263-T265 HydrophobicContact CG-CG2 4.18Å; T265-L267 PolarHBondContact O-N 3.22Å; T265-A268 PolarHBondContact O-N 3.48Å; T265-A268 VanDerWaalsContact O-N 3.12Å; T265-A268 VanDerWaalsContact OG1-CB 3.29Å; T265-A268 WeakPolarHBondContact OG1-CB 3.24Å; T265-A268 PolarHBondContact OG1-N 3.46Å; T265-I269 WeakPolarHBondContact O-CG1 3.48Å; T265-I269 PolarHBondContact O-N 2.68Å; T265-D396 HydrophobicContact CG2-CB 3.78Å; T265-D396 VanDerWaalsContact CG2-O 3.29Å; T265-D396 WeakPolarHBondContact CG2-O 3.36Å; T265-R397 HydrophobicContact CG2-CG 3.79Å
266P92.7Very high94.8Very high52 Ų5234.6 Ų34.634%0.33818%0.178SC..Hα-helixtrans-52.5-40.6172.3-27.635.4000112.5L28 I269 L270L28-P266 HydrophobicContact CB-CB 4.41Å; P266-I269 PolarHBondContact O-N 3.12Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.47Å; P266-L270 PolarHBondContact O-N 3.04Å; P266-L270 VanDerWaalsContact O-N 3.08Å
267L94.1Very high94.4Very high36 Ų3641.6 Ų41.619%0.18821%0.209CC..Hα-helixtrans-65.8-46177.4-17557.2000111.9T29 T265 I269 L270 K271 D423T29-L267 HydrophobicContact CG2-CB 3.88Å; T29-L267 HydrophobicContact CG2-CD1 3.98Å; T29-L267 HydrophobicContact CG2-CG 4.41Å; T265-L267 PolarHBondContact O-N 3.22Å; L267-I269 VanDerWaalsContact C-N 3.3Å; L267-I269 PolarHBondContact O-N 2.89Å; L267-L270 PolarHBondContact O-N 3.34Å; L267-K271 HydrophobicContact CD1-CG 4.23Å; L267-K271 HydrophobicContact CG-CD 4.24Å; L267-K271 HydrophobicContact CG-CG 4.36Å; L267-K271 WeakPolarHBondContact O-CB 3.36Å; L267-K271 VanDerWaalsContact O-CG 3.27Å; L267-K271 WeakPolarHBondContact O-CG 3.34Å; L267-K271 PolarHBondContact O-N 3.4Å; L267-D423 WeakPolarHBondContact CD2-OD2 3.47Å
268A95.2Very high94Very high1 Ų146.7 Ų46.71%0.00823%0.231CC..Hα-helixtrans-60.9-4017900000111.8L263 T265 K271 G272 Q420L263-A268 HydrophobicContact CB-CB 4.35Å; L263-A268 HydrophobicContact CD2-CB 3.93Å; L263-A268 HydrophobicContact CG-CB 3.94Å; T265-A268 PolarHBondContact O-N 3.48Å; T265-A268 VanDerWaalsContact O-N 3.12Å; T265-A268 VanDerWaalsContact OG1-CB 3.29Å; T265-A268 WeakPolarHBondContact OG1-CB 3.24Å; T265-A268 PolarHBondContact OG1-N 3.46Å; A268-K271 PolarHBondContact O-N 3.44Å; A268-G272 PolarHBondContact O-N 2.76Å; A268-Q420 HydrophobicContact CB-CB 4.37Å; A268-Q420 HydrophobicContact CB-CG 4.44Å; A268-Q420 PolarHBondContact O-NE2 2.98Å
269I92.8Very high93.6Very high96 Ų9648.1 Ų48.149%0.49224%0.24SC..Hα-helixtrans-63.2-49.7176.2-66.4166.2000110.6T265 P266 L267 K271 G272 I273T265-I269 WeakPolarHBondContact O-CG1 3.48Å; T265-I269 PolarHBondContact O-N 2.68Å; P266-I269 PolarHBondContact O-N 3.12Å; L267-I269 VanDerWaalsContact C-N 3.3Å; L267-I269 PolarHBondContact O-N 2.89Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 2.98Å; I269-G272 PolarHBondContact O-N 3.11Å; I269-G272 VanDerWaalsContact O-N 3.11Å; I269-I273 HydrophobicContact CG2-CD1 4.08Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.32Å
270L92.7Very high93.1Very high85 Ų8555 Ų5545%0.44527%0.272SS..Hα-helixtrans-60-41.5178.1-70.3174.8000112F25 P266 L267 I273 Y274F25-L270 HydrophobicContact CD2-CD1 4.29Å; F25-L270 HydrophobicContact CE2-CD1 3.77Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.47Å; P266-L270 PolarHBondContact O-N 3.04Å; P266-L270 VanDerWaalsContact O-N 3.08Å; L267-L270 PolarHBondContact O-N 3.34Å; L270-I273 PolarHBondContact O-N 3.29Å; L270-Y274 WeakPolarHBondContact O-CB 3.43Å; L270-Y274 PolarHBondContact O-N 3.08Å
271K93.9Very high92.7Very high18 Ų1860.7 Ų60.78%0.07830%0.296CS..Hα-helixtrans-62.3-40.5174.1-74.7-173.1169.8-178.60112.2L267 A268 I269 Y274 G275 W419 Q420 D423L267-K271 HydrophobicContact CD1-CG 4.23Å; L267-K271 HydrophobicContact CG-CD 4.24Å; L267-K271 HydrophobicContact CG-CG 4.36Å; L267-K271 WeakPolarHBondContact O-CB 3.36Å; L267-K271 VanDerWaalsContact O-CG 3.27Å; L267-K271 WeakPolarHBondContact O-CG 3.34Å; L267-K271 PolarHBondContact O-N 3.4Å; A268-K271 PolarHBondContact O-N 3.44Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 2.98Å; K271-Y274 PolarHBondContact O-N 3.19Å; K271-G275 PolarHBondContact O-N 3Å; K271-W419 HydrophobicContact CB-CD2 4.42Å; K271-W419 HydrophobicContact CB-CE3 3.79Å; K271-W419 HydrophobicContact CB-CH2 3.82Å; K271-W419 HydrophobicContact CB-CZ2 4.41Å; K271-W419 HydrophobicContact CB-CZ3 3.46Å; K271-W419 VanDerWaalsContact CB-CZ3 3.46Å; K271-W419 HydrophobicContact CD-CD2 3.72Å; K271-W419 HydrophobicContact CD-CE3 3.96Å; K271-W419 HydrophobicContact CD-CG 4.33Å; K271-W419 HydrophobicContact CD-CH2 4.05Å; K271-W419 HydrophobicContact CD-CZ2 3.78Å; K271-W419 HydrophobicContact CD-CZ3 4.12Å; K271-W419 HydrophobicContact CG-CD2 4.18Å; K271-W419 HydrophobicContact CG-CE3 3.98Å; K271-W419 HydrophobicContact CG-CH2 3.46Å; K271-W419 VanDerWaalsContact CG-CH2 3.46Å; K271-W419 HydrophobicContact CG-CZ2 3.63Å; K271-W419 HydrophobicContact CG-CZ3 3.63Å; K271-W419 PolarHBondContact NZ-O 3.02Å; K271-W419 WeakPolarHBondContact O-CZ3 3.43Å; K271-Q420 HydrophobicContact CB-CG 3.66Å; K271-Q420 HydrophobicContact CD-CG 4.11Å; K271-D423 VanDerWaalsContact CE-OD2 3.3Å; K271-D423 WeakPolarHBondContact CE-OD2 3.25Å; K271-D423 IonicContact NZ-OD1 3.37Å; K271-D423 PolarHBondContact NZ-OD1 3.08Å; K271-D423 IonicContact NZ-OD2 2.95Å; K271-D423 PolarHBondContact NZ-OD2 3.17Å
272G93.8Very high92.3Very high3 Ų362.4 Ų62.43%0.03130%0.302CS..Hα-helixtrans-64.6-44.6176.200000112.7A268 I269 Y274 G275 S276 F293A268-G272 PolarHBondContact O-N 2.76Å; I269-G272 PolarHBondContact O-N 3.11Å; I269-G272 VanDerWaalsContact O-N 3.11Å; G272-Y274 PolarHBondContact O-N 3.09Å; G272-G275 PolarHBondContact O-N 3.23Å; G272-S276 PolarHBondContact O-N 3.07Å; G272-S276 PolarHBondContact O-OG 3.24Å; G272-S276 VanDerWaalsContact O-OG 3.04Å; G272-F293 VanDerWaalsContact O-CE1 3.27Å; G272-F293 WeakPolarHBondContact O-CE1 3.34Å
273I92.9Very high92.1Very high82 Ų8261.6 Ų61.642%0.42130%0.297SS..Hα-helixtrans-60.4-48.3174.8-65.5167.8000110I269 L270 G275 S276 F277 V295I269-I273 HydrophobicContact CG2-CD1 4.08Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.32Å; L270-I273 PolarHBondContact O-N 3.29Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.29Å; I273-S276 WeakPolarHBondContact O-CB 3.15Å; I273-S276 PolarHBondContact O-N 3.28Å; I273-F277 HydrophobicContact CG2-CE2 4.26Å; I273-F277 VanDerWaalsContact O-CD2 3.27Å; I273-F277 WeakPolarHBondContact O-CD2 3.03Å; I273-V295 HydrophobicContact CG1-CG2 4.35Å
274Y92.3Very high91.9Very high101 Ų10165.9 Ų65.940%0.39633%0.325SS..Hα-helixtrans-61.6-42.9177.3-175.4-86.7000112.1L270 K271 G272 S276 F277 F278 Y282 W419L270-Y274 WeakPolarHBondContact O-CB 3.43Å; L270-Y274 PolarHBondContact O-N 3.08Å; K271-Y274 PolarHBondContact O-N 3.19Å; G272-Y274 PolarHBondContact O-N 3.09Å; Y274-S276 PolarHBondContact O-N 3.04Å; Y274-F277 PolarHBondContact O-N 3.49Å; Y274-F277 VanDerWaalsContact O-N 3.14Å; Y274-F278 HydrophobicContact CD1-CD2 4.3Å; Y274-F278 HydrophobicContact CE1-CB 4.49Å; Y274-F278 AromaticContact CE1-CD2 3.69Å; Y274-F278 HydrophobicContact CE1-CD2 3.69Å; Y274-F278 HydrophobicContact CE1-CE2 4.4Å; Y274-F278 HydrophobicContact CE1-CG 4.44Å; Y274-F278 HydrophobicContact CE2-CD2 4.1Å; Y274-F278 HydrophobicContact CE2-CE2 4.03Å; Y274-F278 AromaticContact CZ-CD2 3.62Å; Y274-F278 AromaticContact CZ-CE2 3.88Å; Y274-F278 PolarHBondContact O-N 3.13Å; Y274-Y282 AromaticContact CD1-CE2 3.6Å; Y274-Y282 HydrophobicContact CD1-CE2 3.6Å; Y274-Y282 AromaticContact CD1-CZ 3.95Å; Y274-Y282 AromaticContact CE1-CE2 3.57Å; Y274-Y282 HydrophobicContact CE1-CE2 3.57Å; Y274-Y282 AromaticContact CE1-CZ 3.71Å; Y274-Y282 WeakPolarHBondContact CE1-OH 3.4Å; Y274-W419 HydrophobicContact CD1-CH2 4.12Å; Y274-W419 HydrophobicContact CD1-CZ3 4.27Å
275G92.3Very high91.9Very high1 Ų161.6 Ų61.61%0.0131%0.309CS..Hα-helixtrans-61.1-29.5178.500000113.1K271 G272 I273 F277 F278 P279K271-G275 PolarHBondContact O-N 3Å; G272-G275 PolarHBondContact O-N 3.23Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.29Å; G275-F277 PolarHBondContact O-N 3.39Å; G275-F278 CarbonylContact O-C 3.22Å; G275-F278 VanDerWaalsContact O-C 3.22Å; G275-F278 PolarHBondContact O-N 3.31Å; G275-F278 VanDerWaalsContact O-N 3.15Å; G275-P279 WeakPolarHBondContact O-CA 3.32Å; G275-P279 WeakPolarHBondContact O-CD 3.26Å
276S91.6Very high91.6Very high34 Ų3469.4 Ų69.424%0.23834%0.338CS..Hα-helixtrans-63.6-28.9176.2-60.10000113.2G272 I273 Y274 F293 V295G272-S276 PolarHBondContact O-N 3.07Å; G272-S276 PolarHBondContact O-OG 3.24Å; G272-S276 VanDerWaalsContact O-OG 3.04Å; I273-S276 WeakPolarHBondContact O-CB 3.15Å; I273-S276 PolarHBondContact O-N 3.28Å; Y274-S276 PolarHBondContact O-N 3.04Å; S276-F293 VanDerWaalsContact OG-CD1 3.23Å; S276-F293 WeakPolarHBondContact OG-CD1 3.34Å; S276-V295 WeakPolarHBondContact OG-CG1 3.33Å; S276-V295 WeakPolarHBondContact OG-CG2 3.16Å; S276-V295 PolarHBondContact OG-N 3.39Å
277F91.9Very high91.4Very high153 Ų15373.2 Ų73.267%0.67135%0.35SS*.Hα-helixtrans-85.1-22.6176.5-64.8-79.1000113.1I273 Y274 G275I273-F277 HydrophobicContact CG2-CE2 4.26Å; I273-F277 VanDerWaalsContact O-CD2 3.27Å; I273-F277 WeakPolarHBondContact O-CD2 3.03Å; Y274-F277 PolarHBondContact O-N 3.49Å; Y274-F277 VanDerWaalsContact O-N 3.14Å; G275-F277 PolarHBondContact O-N 3.39Å
278F90.7Very high91.4Very high108 Ų10873.4 Ų73.447%0.47435%0.349SS..SBendtrans-138.657-175.2-53.9-76.2000112Y274 G275 E280 K281 Y282Y274-F278 HydrophobicContact CD1-CD2 4.3Å; Y274-F278 HydrophobicContact CE1-CB 4.49Å; Y274-F278 AromaticContact CE1-CD2 3.69Å; Y274-F278 HydrophobicContact CE1-CD2 3.69Å; Y274-F278 HydrophobicContact CE1-CE2 4.4Å; Y274-F278 HydrophobicContact CE1-CG 4.44Å; Y274-F278 HydrophobicContact CE2-CD2 4.1Å; Y274-F278 HydrophobicContact CE2-CE2 4.03Å; Y274-F278 AromaticContact CZ-CD2 3.62Å; Y274-F278 AromaticContact CZ-CE2 3.88Å; Y274-F278 PolarHBondContact O-N 3.13Å; G275-F278 CarbonylContact O-C 3.22Å; G275-F278 VanDerWaalsContact O-C 3.22Å; G275-F278 PolarHBondContact O-N 3.31Å; G275-F278 VanDerWaalsContact O-N 3.15Å; F278-E280 VanDerWaalsContact C-N 3.35Å; F278-E280 PolarHBondContact O-N 2.87Å; F278-K281 HydrophobicContact CB-CB 4.48Å; F278-K281 WeakPolarHBondContact O-CB 3.37Å; F278-K281 PolarHBondContact O-N 3.19Å; F278-Y282 WeakPolarHBondContact O-CD2 3.37Å
279P89.9Confident91.3Very high29 Ų2974.8 Ų74.819%0.18836%0.357CS..G310 helixtrans-66.9-35.9-168.526.4-35.8000112.7G275 K281 Y282 L283 V289 F293G275-P279 WeakPolarHBondContact O-CA 3.32Å; G275-P279 WeakPolarHBondContact O-CD 3.26Å; P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.09Å; P279-Y282 PolarHBondContact O-N 3.31Å; P279-L283 HydrophobicContact CB-CD1 4.26Å; P279-L283 WeakPolarHBondContact O-CG 3.47Å; P279-L283 PolarHBondContact O-N 3.34Å; P279-V289 HydrophobicContact CB-CG1 4.36Å; P279-V289 HydrophobicContact CB-CG2 4.16Å; P279-V289 HydrophobicContact CG-CG2 4.49Å; P279-F293 HydrophobicContact CB-CD2 3.68Å; P279-F293 HydrophobicContact CB-CE2 3.96Å
280E88.3Confident91.2Very high152 Ų15274.1 Ų74.171%0.7136%0.355SS*.G310 helixtrans-62.3-19.2179.8-60.4-174.5165.700113.6F278F278-E280 VanDerWaalsContact C-N 3.35Å; F278-E280 PolarHBondContact O-N 2.87Å
281K88.8Confident91.2Very high139 Ų13970.5 Ų70.560%0.60434%0.335SS*.G310 helixtrans-77.5-26.9179.9-174.3173.9175.9-173.50113F278 P279F278-K281 HydrophobicContact CB-CB 4.48Å; F278-K281 WeakPolarHBondContact O-CB 3.37Å; F278-K281 PolarHBondContact O-N 3.19Å; P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.09Å
282Y88.3Confident91.2Very high43 Ų4370 Ų7017%0.16933%0.333CS..THydrogen-bonded Turntrans-119.21.2-169.4-55.3-66.5000113.5Y274 F278 P279 W419Y274-Y282 AromaticContact CD1-CE2 3.6Å; Y274-Y282 HydrophobicContact CD1-CE2 3.6Å; Y274-Y282 AromaticContact CD1-CZ 3.95Å; Y274-Y282 AromaticContact CE1-CE2 3.57Å; Y274-Y282 HydrophobicContact CE1-CE2 3.57Å; Y274-Y282 AromaticContact CE1-CZ 3.71Å; Y274-Y282 WeakPolarHBondContact CE1-OH 3.4Å; F278-Y282 WeakPolarHBondContact O-CD2 3.37Å; P279-Y282 PolarHBondContact O-N 3.31Å; Y282-W419 HydrophobicContact CD1-CB 4.24Å; Y282-W419 AromaticContact CD1-CD2 3.7Å; Y282-W419 HydrophobicContact CD1-CD2 3.7Å; Y282-W419 AromaticContact CD1-CE3 3.67Å; Y282-W419 HydrophobicContact CD1-CE3 3.67Å; Y282-W419 AromaticContact CD1-CG 3.97Å; Y282-W419 HydrophobicContact CD1-CG 3.97Å; Y282-W419 HydrophobicContact CD1-CZ3 4.23Å; Y282-W419 HydrophobicContact CD2-CE3 4.08Å; Y282-W419 HydrophobicContact CD2-CZ3 4.11Å; Y282-W419 AromaticContact CE1-CD2 3.82Å; Y282-W419 HydrophobicContact CE1-CD2 3.82Å; Y282-W419 AromaticContact CE1-CE2 3.97Å; Y282-W419 AromaticContact CE1-CE3 3.85Å; Y282-W419 HydrophobicContact CE1-CE3 3.85Å; Y282-W419 HydrophobicContact CE1-CG 4.39Å; Y282-W419 HydrophobicContact CE1-CH2 4.14Å; Y282-W419 HydrophobicContact CE1-CZ2 4.15Å; Y282-W419 AromaticContact CE1-CZ3 4Å; Y282-W419 HydrophobicContact CE1-CZ3 4Å; Y282-W419 HydrophobicContact CE2-CE3 4.22Å; Y282-W419 HydrophobicContact CE2-CH2 4.33Å; Y282-W419 AromaticContact CE2-CZ3 3.86Å; Y282-W419 HydrophobicContact CE2-CZ3 3.86Å; Y282-W419 HydrophobicContact CG-CD2 4.26Å; Y282-W419 AromaticContact CG-CE3 3.78Å; Y282-W419 HydrophobicContact CG-CE3 3.78Å; Y282-W419 HydrophobicContact CG-CZ3 4.27Å; Y282-W419 AromaticContact CZ-CH2 3.88Å; Y282-W419 AromaticContact CZ-CZ3 3.79Å
283L91.7Very high91.1Very high16 Ų1670.2 Ų70.28%0.08433%0.333CS..SBendtrans-115.4143.9178.6-62.8177.5000110.6P279 S285 V289 H292 F293 T417P279-L283 HydrophobicContact CB-CD1 4.26Å; P279-L283 WeakPolarHBondContact O-CG 3.47Å; P279-L283 PolarHBondContact O-N 3.34Å; L283-S285 PolarHBondContact O-N 2.76Å; L283-V289 HydrophobicContact CD1-CB 4.32Å; L283-V289 HydrophobicContact CD1-CG2 3.89Å; L283-H292 WeakPolarHBondContact CD2-CD2 3.12Å; L283-F293 HydrophobicContact CD1-CD2 4.1Å; L283-F293 HydrophobicContact CD1-CE2 4.04Å; L283-F293 HydrophobicContact CG-CE2 4.4Å; L283-T417 HydrophobicContact CD2-CG2 3.81Å
284P89.3Confident90.9Very high96 Ų9668.7 Ų68.762%0.62333%0.329SS*.SBendtrans-70.7-17.6178.225.8-29.4000112.7F288 Y433P284-F288 HydrophobicContact CG-CD2 3.81Å; P284-F288 HydrophobicContact CG-CE2 4.02Å; P284-Y433 HydrophobicContact CG-CD2 4.39Å; P284-Y433 HydrophobicContact CG-CE2 3.9Å
285S91.3Very high90.8Very high39 Ų3966.2 Ų66.227%0.27332%0.324SS..  trans-159.1149.7176.6-177.60000111.5L283 F287 F288L283-S285 PolarHBondContact O-N 2.76Å; S285-F287 PolarHBondContact O-N 2.86Å; S285-F287 WeakPolarHBondContact OG-CD2 3.42Å; S285-F287 PolarHBondContact OG-N 2.97Å; S285-F288 PolarHBondContact O-N 2.82Å
286R89.3Confident90.7Very high173 Ų17373.8 Ų73.865%0.65335%0.352SS*.G310 helixtrans-61.3-22.8174.569.4178.2-177176.80.9113.8F288 V289R286-F288 PolarHBondContact O-N 3.31Å; R286-V289 WeakPolarHBondContact O-CG2 3.35Å; R286-V289 PolarHBondContact O-N 3.38Å
287F89.4Confident90.7Very high133 Ų13377.5 Ų77.558%0.58337%0.366SS*.G310 helixtrans-69.2-8.8178-64.4-65.9000113.4S285 Q435S285-F287 PolarHBondContact O-N 2.86Å; S285-F287 WeakPolarHBondContact OG-CD2 3.42Å; S285-F287 PolarHBondContact OG-N 2.97Å; F287-Q435 PolarHBondContact O-NE2 3.16Å
288F92.7Very high90.7Very high40 Ų4072.4 Ų72.418%0.17534%0.344CS..G310 helixtrans-107.66.6-179.4-50.4-43.4000113.1P284 S285 R286 D290 H291 H292 Y433P284-F288 HydrophobicContact CG-CD2 3.81Å; P284-F288 HydrophobicContact CG-CE2 4.02Å; S285-F288 PolarHBondContact O-N 2.82Å; R286-F288 PolarHBondContact O-N 3.31Å; F288-D290 VanDerWaalsContact C-N 3.29Å; F288-D290 PolarHBondContact O-N 3.31Å; F288-H291 PolarHBondContact O-N 3.07Å; F288-H292 PolarHBondContact O-CD2 2.73Å; F288-Y433 HydrophobicContact CB-CD1 3.64Å; F288-Y433 HydrophobicContact CB-CE1 3.72Å; F288-Y433 HydrophobicContact CB-CG 4.18Å; F288-Y433 VanDerWaalsContact CD1-CB 3.4Å; F288-Y433 AromaticContact CD1-CD1 3.8Å; F288-Y433 HydrophobicContact CD1-CD1 3.8Å; F288-Y433 AromaticContact CD1-CG 3.68Å; F288-Y433 HydrophobicContact CD1-CG 3.68Å; F288-Y433 HydrophobicContact CD2-CD1 4.17Å; F288-Y433 AromaticContact CD2-CD2 3.87Å; F288-Y433 HydrophobicContact CD2-CD2 3.87Å; F288-Y433 HydrophobicContact CD2-CE1 4.5Å; F288-Y433 HydrophobicContact CD2-CE2 4.26Å; F288-Y433 AromaticContact CD2-CG 3.83Å; F288-Y433 HydrophobicContact CD2-CG 3.83Å; F288-Y433 AromaticContact CE1-CG 3.95Å; F288-Y433 HydrophobicContact CE1-CG 3.95Å; F288-Y433 AromaticContact CE2-CD2 3.99Å; F288-Y433 HydrophobicContact CE2-CD2 3.99Å; F288-Y433 HydrophobicContact CE2-CG 4.07Å; F288-Y433 AromaticContact CG-CD1 3.61Å; F288-Y433 HydrophobicContact CG-CD1 3.61Å; F288-Y433 HydrophobicContact CG-CD2 4.14Å; F288-Y433 HydrophobicContact CG-CE1 4.09Å; F288-Y433 AromaticContact CG-CG 3.62Å; F288-Y433 HydrophobicContact CG-CG 3.62Å; F288-Y433 HydrophobicContact CZ-CD2 4.38Å; F288-Y433 HydrophobicContact CZ-CG 4.13Å
289V92.8Very high90.7Very high30 Ų3073.5 Ų73.518%0.18235%0.345CS..G310 helixtrans-55.7-48.9178.9171.10000110.2P279 L283 R286 H291 H292 F293P279-V289 HydrophobicContact CB-CG1 4.36Å; P279-V289 HydrophobicContact CB-CG2 4.16Å; P279-V289 HydrophobicContact CG-CG2 4.49Å; L283-V289 HydrophobicContact CD1-CB 4.32Å; L283-V289 HydrophobicContact CD1-CG2 3.89Å; R286-V289 WeakPolarHBondContact O-CG2 3.35Å; R286-V289 PolarHBondContact O-N 3.38Å; V289-H291 PolarHBondContact O-N 3.13Å; V289-H291 VanDerWaalsContact O-N 3.15Å; V289-H292 PolarHBondContact O-N 2.86Å; V289-F293 HydrophobicContact CG1-CB 4.07Å; V289-F293 PolarHBondContact O-N 3.44Å
290D92Very high90.9Very high82 Ų8275.7 Ų75.744%0.43935%0.354SS..G310 helixtrans-72.8-7.7-172.6-58.6-2.4000114.2F288 K298 R410F288-D290 VanDerWaalsContact C-N 3.29Å; F288-D290 PolarHBondContact O-N 3.31Å; D290-K298 WeakPolarHBondContact O-CE 3.3Å; D290-R410 PolarHBondContact O-NH1 3.37Å; D290-R410 IonicContact OD2-CZ 3.56Å; D290-R410 IonicContact OD2-NH2 3.48Å; D290-R410 PolarHBondContact OD2-NH2 3.29Å
291H93.2Very high91Very high8 Ų872.8 Ų72.84%0.03734%0.341CS..G310 helixtrans-71.5-18.4169.2-69.478.1000112.1F288 V289 Y433 F434F288-H291 PolarHBondContact O-N 3.07Å; V289-H291 PolarHBondContact O-N 3.13Å; V289-H291 VanDerWaalsContact O-N 3.15Å; H291-Y433 HydrophobicContact CB-CD1 4.45Å; H291-Y433 HydrophobicContact CB-CE1 4.35Å; H291-Y433 AromaticContact CG-CD1 3.97Å; H291-F434 PolarHBondContact CE1-O 2.95Å; H291-F434 PolarHBondContact NE2-O 3.49Å
292H92.7Very high91.2Very high7 Ų770.1 Ų70.13%0.03233%0.333CS..THydrogen-bonded Turntrans-131.9-34-168.7-56.7-64.9000113.3L283 F288 V289 S415 V416 T417 Y433L283-H292 WeakPolarHBondContact CD2-CD2 3.12Å; F288-H292 PolarHBondContact O-CD2 2.73Å; V289-H292 PolarHBondContact O-N 2.86Å; H292-S415 PolarHBondContact CE1-OG 3.38Å; H292-S415 PolarHBondContact ND1-O 3.11Å; H292-S415 PolarHBondContact ND1-OG 2.91Å; H292-V416 VanDerWaalsContact CE1-C 3.49Å; H292-V416 PolarHBondContact CE1-O 2.97Å; H292-V416 VanDerWaalsContact CE1-O 3.29Å; H292-T417 HydrophobicContact CB-CG2 4.22Å; H292-Y433 AromaticContact NE2-CE1 3.28Å; H292-Y433 VanDerWaalsContact NE2-CE1 3.28Å; H292-Y433 WeakPolarHBondContact NE2-CE1 3.3Å; H292-Y433 AromaticContact NE2-CZ 3.6Å; H292-Y433 PolarHBondContact NE2-OH 2.83Å
293F92.1Very high91.4Very high8 Ų872.8 Ų72.84%0.03535%0.35CS..  trans-130.6157.9-164-58.6-54.3000112.2G272 S276 P279 L283 V289 V295 T417G272-F293 VanDerWaalsContact O-CE1 3.27Å; G272-F293 WeakPolarHBondContact O-CE1 3.34Å; S276-F293 VanDerWaalsContact OG-CD1 3.23Å; S276-F293 WeakPolarHBondContact OG-CD1 3.34Å; P279-F293 HydrophobicContact CB-CD2 3.68Å; P279-F293 HydrophobicContact CB-CE2 3.96Å; L283-F293 HydrophobicContact CD1-CD2 4.1Å; L283-F293 HydrophobicContact CD1-CE2 4.04Å; L283-F293 HydrophobicContact CG-CE2 4.4Å; V289-F293 HydrophobicContact CG1-CB 4.07Å; V289-F293 PolarHBondContact O-N 3.44Å; F293-V295 HydrophobicContact CD1-CG1 3.84Å; F293-V295 HydrophobicContact CE1-CG1 3.99Å; F293-T417 HydrophobicContact CE2-CG2 4.09Å; F293-T417 HydrophobicContact CZ-CG2 3.88Å
294P89.3Confident91.5Very high51 Ų5178.1 Ų78.133%0.33137%0.374SS..  cis-71.5140.2-9.629.9-32.9000111.4W296 E297 K298P294-W296 PolarHBondContact O-N 3.25Å; P294-W296 VanDerWaalsContact O-N 3.08Å; P294-E297 WeakPolarHBondContact CD-OE2 3.23Å; P294-E297 HydrophobicContact CG-CB 4Å; P294-E297 HydrophobicContact CG-CG 3.74Å; P294-E297 WeakPolarHBondContact CG-OE1 3.46Å; P294-E297 WeakPolarHBondContact CG-OE2 3.15Å; P294-E297 PolarHBondContact O-N 2.92Å; P294-K298 PolarHBondContact O-N 3.42Å
295V90.1Very high91.8Very high49 Ų4975.9 Ų75.930%0.29736%0.355SS..Hα-helixtrans-60.5-25.8-175.7-65.20000113.3I273 S276 F293 W299I273-V295 HydrophobicContact CG1-CG2 4.35Å; S276-V295 WeakPolarHBondContact OG-CG1 3.33Å; S276-V295 WeakPolarHBondContact OG-CG2 3.16Å; S276-V295 PolarHBondContact OG-N 3.39Å; F293-V295 HydrophobicContact CD1-CG1 3.84Å; F293-V295 HydrophobicContact CE1-CG1 3.99Å; V295-W299 WeakPolarHBondContact O-CB 3.41Å; V295-W299 PolarHBondContact O-N 2.77Å
296W90.2Very high92Very high159 Ų15975.5 Ų75.560%0.60235%0.353SS*.Hα-helixtrans-67.3-46.2179179-113000112.2P294 K298 W299 L300P294-W296 PolarHBondContact O-N 3.25Å; P294-W296 VanDerWaalsContact O-N 3.08Å; W296-K298 VanDerWaalsContact C-N 3.34Å; W296-K298 PolarHBondContact O-N 2.61Å; W296-W299 HydrophobicContact CE3-CE3 4.06Å; W296-W299 AromaticContact CH2-CE3 3.87Å; W296-W299 HydrophobicContact CH2-CE3 3.87Å; W296-W299 AromaticContact CH2-CZ3 3.71Å; W296-W299 HydrophobicContact CH2-CZ3 3.71Å; W296-W299 HydrophobicContact CZ3-CD2 4.3Å; W296-W299 AromaticContact CZ3-CE3 3.49Å; W296-W299 HydrophobicContact CZ3-CE3 3.49Å; W296-W299 VanDerWaalsContact CZ3-CE3 3.49Å; W296-W299 AromaticContact CZ3-CZ3 3.72Å; W296-W299 HydrophobicContact CZ3-CZ3 3.72Å; W296-W299 PolarHBondContact O-N 3.03Å; W296-L300 HydrophobicContact CH2-CD2 4.35Å; W296-L300 HydrophobicContact CZ2-CD1 4.34Å; W296-L300 HydrophobicContact CZ2-CD2 3.97Å; W296-L300 HydrophobicContact CZ2-CG 4.28Å; W296-L300 WeakPolarHBondContact O-CG 2.91Å; W296-L300 PolarHBondContact O-N 3.32Å
297E91.3Very high92.5Very high112 Ų11269.6 Ų69.652%0.52335%0.345SS..Hα-helixtrans-64.3-41.8176.4-69.7169.8-164.600110.7P294 W299 L300 E301P294-E297 WeakPolarHBondContact CD-OE2 3.23Å; P294-E297 HydrophobicContact CG-CB 4Å; P294-E297 HydrophobicContact CG-CG 3.74Å; P294-E297 WeakPolarHBondContact CG-OE1 3.46Å; P294-E297 WeakPolarHBondContact CG-OE2 3.15Å; P294-E297 PolarHBondContact O-N 2.92Å; E297-W299 VanDerWaalsContact C-N 3.27Å; E297-W299 PolarHBondContact O-N 3.29Å; E297-L300 PolarHBondContact O-N 2.86Å; E297-L300 VanDerWaalsContact O-N 3.14Å; E297-E301 WeakPolarHBondContact O-CG 3.33Å; E297-E301 PolarHBondContact O-N 3.46Å
298K91.4Very high92.9Very high47 Ų4765.5 Ų65.520%0.20433%0.326CS..Hα-helixtrans-61.5-34.4174.5-61.8-48.4-177.1-172.80113.4D290 P294 W296 E301 L302 A414D290-K298 WeakPolarHBondContact O-CE 3.3Å; P294-K298 PolarHBondContact O-N 3.42Å; W296-K298 VanDerWaalsContact C-N 3.34Å; W296-K298 PolarHBondContact O-N 2.61Å; K298-E301 VanDerWaalsContact CD-OE2 3.25Å; K298-E301 WeakPolarHBondContact CD-OE2 3.44Å; K298-E301 IonicContact NZ-OE1 3.73Å; K298-E301 PolarHBondContact NZ-OE1 3.36Å; K298-E301 IonicContact NZ-OE2 2.82Å; K298-E301 PolarHBondContact NZ-OE2 3.48Å; K298-L302 WeakPolarHBondContact O-CB 3.25Å; K298-L302 PolarHBondContact O-N 3.49Å; K298-A414 HydrophobicContact CB-CB 3.8Å; K298-A414 HydrophobicContact CD-CB 4.11Å; K298-A414 HydrophobicContact CG-CB 3.82Å
299W91.1Very high93.2Very high131 Ų13167 Ų6750%0.49633%0.333SS..Hα-helixtrans-71.9-37.1175.3-174.681.9000112.3V295 W296 E297 L302 L303V295-W299 WeakPolarHBondContact O-CB 3.41Å; V295-W299 PolarHBondContact O-N 2.77Å; W296-W299 HydrophobicContact CE3-CE3 4.06Å; W296-W299 AromaticContact CH2-CE3 3.87Å; W296-W299 HydrophobicContact CH2-CE3 3.87Å; W296-W299 AromaticContact CH2-CZ3 3.71Å; W296-W299 HydrophobicContact CH2-CZ3 3.71Å; W296-W299 HydrophobicContact CZ3-CD2 4.3Å; W296-W299 AromaticContact CZ3-CE3 3.49Å; W296-W299 HydrophobicContact CZ3-CE3 3.49Å; W296-W299 VanDerWaalsContact CZ3-CE3 3.49Å; W296-W299 AromaticContact CZ3-CZ3 3.72Å; W296-W299 HydrophobicContact CZ3-CZ3 3.72Å; W296-W299 PolarHBondContact O-N 3.03Å; E297-W299 VanDerWaalsContact C-N 3.27Å; E297-W299 PolarHBondContact O-N 3.29Å; W299-L302 PolarHBondContact O-N 2.87Å; W299-L303 HydrophobicContact CH2-CD2 3.97Å; W299-L303 HydrophobicContact CZ3-CD2 4.02Å; W299-L303 WeakPolarHBondContact O-CB 3.49Å; W299-L303 PolarHBondContact O-N 3.23Å
300L93.2Very high93.5Very high74 Ų7471.6 Ų71.639%0.38735%0.352SS..Hα-helixtrans-65.4-45.5173.8-68.7175.5000111.8W296 E297 L302 L303 E304W296-L300 HydrophobicContact CH2-CD2 4.35Å; W296-L300 HydrophobicContact CZ2-CD1 4.34Å; W296-L300 HydrophobicContact CZ2-CD2 3.97Å; W296-L300 HydrophobicContact CZ2-CG 4.28Å; W296-L300 WeakPolarHBondContact O-CG 2.91Å; W296-L300 PolarHBondContact O-N 3.32Å; E297-L300 PolarHBondContact O-N 2.86Å; E297-L300 VanDerWaalsContact O-N 3.14Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.03Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.26Å; L300-L303 VanDerWaalsContact O-N 3.15Å; L300-E304 PolarHBondContact O-N 3.13Å
301E91.8Very high93.8Very high92 Ų9270.9 Ų70.943%0.4335%0.347SS..Hα-helixtrans-56-46.8172.7-71.7172.1-174.700110.6E297 K298 L303 E304 E305E297-E301 WeakPolarHBondContact O-CG 3.33Å; E297-E301 PolarHBondContact O-N 3.46Å; K298-E301 VanDerWaalsContact CD-OE2 3.25Å; K298-E301 WeakPolarHBondContact CD-OE2 3.44Å; K298-E301 IonicContact NZ-OE1 3.73Å; K298-E301 PolarHBondContact NZ-OE1 3.36Å; K298-E301 IonicContact NZ-OE2 2.82Å; K298-E301 PolarHBondContact NZ-OE2 3.48Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.4Å; E301-E304 PolarHBondContact O-N 3.27Å; E301-E305 WeakPolarHBondContact O-CB 3.42Å; E301-E305 VanDerWaalsContact O-CG 3.31Å; E301-E305 WeakPolarHBondContact O-CG 3.3Å; E301-E305 PolarHBondContact O-N 2.93Å
302L91.9Very high94Very high83 Ų8370.6 Ų70.644%0.43535%0.346SS..Hα-helixtrans-63-38.9177.3-177.265000112.3K298 W299 L300 E305 S306K298-L302 WeakPolarHBondContact O-CB 3.25Å; K298-L302 PolarHBondContact O-N 3.49Å; W299-L302 PolarHBondContact O-N 2.87Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.03Å; L302-E305 PolarHBondContact O-N 3.08Å; L302-S306 WeakPolarHBondContact O-CB 3.48Å; L302-S306 PolarHBondContact O-N 2.01Å; L302-S306 PolarHBondContact O-OG 2.98Å
303L93.4Very high94.3Very high99 Ų9970.6 Ų70.652%0.51835%0.348SS..Hα-helixtrans-64.1-43.9178.5-178.464.3000111.4W299 L300 E301 S306W299-L303 HydrophobicContact CH2-CD2 3.97Å; W299-L303 HydrophobicContact CZ3-CD2 4.02Å; W299-L303 WeakPolarHBondContact O-CB 3.49Å; W299-L303 PolarHBondContact O-N 3.23Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.26Å; L300-L303 VanDerWaalsContact O-N 3.15Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.4Å; L303-S306 PolarHBondContact O-OG 2.85Å
304E94.3Very high94.6Very high128 Ų12872.9 Ų72.960%0.59836%0.362SS*.Hα-helixtrans-59.2-47174.9-175.2178.417000111.1L300 E301L300-E304 PolarHBondContact O-N 3.13Å; E301-E304 PolarHBondContact O-N 3.27Å
305E94.9Very high95.1Very high48 Ų4876.7 Ų76.722%0.22437%0.374CS..Hα-helixtrans-88.6-8.8-170.7-60.7-62.8171.800114.6E301 L302 G307 Y308 T340 K347E301-E305 WeakPolarHBondContact O-CB 3.42Å; E301-E305 VanDerWaalsContact O-CG 3.31Å; E301-E305 WeakPolarHBondContact O-CG 3.3Å; E301-E305 PolarHBondContact O-N 2.93Å; L302-E305 PolarHBondContact O-N 3.08Å; E305-G307 PolarHBondContact O-N 3.02Å; E305-Y308 VanDerWaalsContact O-CD1 3.23Å; E305-Y308 WeakPolarHBondContact O-CD1 3.38Å; E305-T340 HydrophobicContact CG-CG2 4.42Å; E305-K347 IonicContact OE1-NZ 2.83Å
306S96.2Very high95.5Very high32 Ų3274.6 Ų74.622%0.22436%0.361CS..THydrogen-bonded Turntrans-88.16.8-174.160.10000115.5L302 L303 Y308 F309 H310L302-S306 WeakPolarHBondContact O-CB 3.48Å; L302-S306 PolarHBondContact O-N 2.01Å; L302-S306 PolarHBondContact O-OG 2.98Å; L303-S306 PolarHBondContact O-OG 2.85Å; S306-Y308 VanDerWaalsContact C-N 3.32Å; S306-Y308 PolarHBondContact O-N 3.26Å; S306-F309 WeakPolarHBondContact O-CB 3.02Å; S306-F309 PolarHBondContact O-N 3.14Å; S306-F309 VanDerWaalsContact O-N 3.1Å; S306-H310 PolarHBondContact O-N 2.82Å
307G98.1Very high95.9Very high48 Ų4870.8 Ų70.850%0.49535%0.353SS..Hα-helixtrans-56.7-42.9178.200000113.3E305 F309 H310 I311E305-G307 PolarHBondContact O-N 3.02Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.33Å; G307-H310 PolarHBondContact O-N 3.04Å; G307-I311 PolarHBondContact O-N 2.9Å
308Y98.5Very high96.2Very high47 Ų4770.1 Ų70.118%0.18436%0.356CS..Hα-helixtrans-61.2-43.3175.886.6-88.9000111.4W163 E305 S306 H310 I311 Q312 Y333 K337 Y382W163-Y308 HydrophobicContact CD2-CE2 4.42Å; W163-Y308 AromaticContact CE3-CD2 3.81Å; W163-Y308 HydrophobicContact CE3-CD2 3.81Å; W163-Y308 AromaticContact CE3-CE2 3.38Å; W163-Y308 HydrophobicContact CE3-CE2 3.38Å; W163-Y308 AromaticContact CH2-CD2 3.41Å; W163-Y308 HydrophobicContact CH2-CD2 3.41Å; W163-Y308 VanDerWaalsContact CH2-CD2 3.41Å; W163-Y308 AromaticContact CH2-CE2 3.9Å; W163-Y308 HydrophobicContact CH2-CE2 3.9Å; W163-Y308 AromaticContact CH2-CG 3.99Å; W163-Y308 HydrophobicContact CH2-CG 3.99Å; W163-Y308 HydrophobicContact CZ2-CD2 4.34Å; W163-Y308 HydrophobicContact CZ3-CD1 4.45Å; W163-Y308 AromaticContact CZ3-CD2 3.08Å; W163-Y308 HydrophobicContact CZ3-CD2 3.08Å; W163-Y308 HydrophobicContact CZ3-CE1 4.42Å; W163-Y308 AromaticContact CZ3-CE2 3.06Å; W163-Y308 HydrophobicContact CZ3-CE2 3.06Å; W163-Y308 AromaticContact CZ3-CG 3.83Å; W163-Y308 HydrophobicContact CZ3-CG 3.83Å; W163-Y308 AromaticContact CZ3-CZ 3.77Å; E305-Y308 VanDerWaalsContact O-CD1 3.23Å; E305-Y308 WeakPolarHBondContact O-CD1 3.38Å; S306-Y308 VanDerWaalsContact C-N 3.32Å; S306-Y308 PolarHBondContact O-N 3.26Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.5Å; Y308-I311 VanDerWaalsContact O-CG2 3.29Å; Y308-I311 WeakPolarHBondContact O-CG2 3.44Å; Y308-I311 PolarHBondContact O-N 2.92Å; Y308-Q312 WeakPolarHBondContact O-CB 2.9Å; Y308-Q312 VanDerWaalsContact O-CG 3.27Å; Y308-Q312 WeakPolarHBondContact O-CG 3.44Å; Y308-Q312 PolarHBondContact O-N 2.86Å; Y308-Q312 VanDerWaalsContact O-N 3.1Å; Y308-Y333 WeakPolarHBondContact CB-OH 3.38Å; Y308-K337 HydrophobicContact CD1-CD 4.33Å; Y308-Y382 HydrophobicContact CD2-CE1 4.45Å; Y308-Y382 AromaticContact CE2-CE1 3.62Å; Y308-Y382 HydrophobicContact CE2-CE1 3.62Å; Y308-Y382 AromaticContact CE2-CZ 3.79Å
309F98.4Very high96.5Very high72 Ų7269.1 Ų69.132%0.31635%0.353SS..Hα-helixtrans-61.8-46.3-179-179.7-76.6000109.3W237 S306 G307 Q312 A313 Y382 V386W237-F309 HydrophobicContact CH2-CE2 4.4Å; W237-F309 HydrophobicContact CZ2-CE2 4.45Å; S306-F309 WeakPolarHBondContact O-CB 3.02Å; S306-F309 PolarHBondContact O-N 3.14Å; S306-F309 VanDerWaalsContact O-N 3.1Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.33Å; F309-Q312 PolarHBondContact O-N 3.43Å; F309-A313 HydrophobicContact CD1-CB 4.18Å; F309-A313 HydrophobicContact CE1-CB 3.98Å; F309-A313 WeakPolarHBondContact O-CB 3.39Å; F309-A313 PolarHBondContact O-N 3.49Å; F309-Y382 HydrophobicContact CB-CD1 4.49Å; F309-Y382 AromaticContact CD2-CD1 3.45Å; F309-Y382 HydrophobicContact CD2-CD1 3.45Å; F309-Y382 VanDerWaalsContact CD2-CD1 3.45Å; F309-Y382 AromaticContact CD2-CE1 3.49Å; F309-Y382 HydrophobicContact CD2-CE1 3.49Å; F309-Y382 VanDerWaalsContact CD2-CE1 3.49Å; F309-Y382 AromaticContact CE2-CD1 3.68Å; F309-Y382 HydrophobicContact CE2-CD1 3.68Å; F309-Y382 AromaticContact CE2-CE1 3.97Å; F309-Y382 HydrophobicContact CE2-CE1 3.97Å; F309-Y382 HydrophobicContact CG-CD1 4Å; F309-Y382 HydrophobicContact CG-CE1 4.25Å; F309-Y382 HydrophobicContact CZ-CD1 4.43Å; F309-V386 HydrophobicContact CE1-CG1 3.89Å; F309-V386 HydrophobicContact CZ-CG1 3.88Å
310H98.6Very high96.9Very high127 Ų12762.9 Ų62.959%0.58833%0.329SS*.Hα-helixtrans-62.4-48.4-177.7-162.7157.1000111.8S306 G307 Y308 Q312 A313 T314S306-H310 PolarHBondContact O-N 2.82Å; G307-H310 PolarHBondContact O-N 3.04Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.5Å; H310-Q312 VanDerWaalsContact C-N 3.35Å; H310-Q312 PolarHBondContact O-N 2.97Å; H310-A313 PolarHBondContact O-N 2.88Å; H310-T314 WeakPolarHBondContact O-CG2 3.48Å; H310-T314 PolarHBondContact O-N 3.21Å; H310-T314 PolarHBondContact O-OG1 3.28Å
311I98.8Very high97.1Very high66 Ų6662.4 Ų62.434%0.33834%0.336SS..Hα-helixtrans-65.5-38.3-179.3-168.8167.3000111.9G307 Y308 T314 K315 I319G307-I311 PolarHBondContact O-N 2.9Å; Y308-I311 VanDerWaalsContact O-CG2 3.29Å; Y308-I311 WeakPolarHBondContact O-CG2 3.44Å; Y308-I311 PolarHBondContact O-N 2.92Å; I311-T314 PolarHBondContact O-N 2.85Å; I311-T314 PolarHBondContact O-OG1 2.94Å; I311-K315 CarbonylContact O-C 3.59Å; I311-K315 PolarHBondContact O-N 2.78Å; I311-I319 HydrophobicContact CD1-CB 3.96Å; I311-I319 HydrophobicContact CD1-CD1 4.39Å; I311-I319 HydrophobicContact CD1-CG1 4.36Å; I311-I319 HydrophobicContact CG1-CB 4.11Å; I311-I319 HydrophobicContact CG1-CG2 4.26Å
312Q98.8Very high97.4Very high2 Ų260.5 Ų60.51%0.00934%0.336CS..Hα-helixtrans-70.7-36.2176.1-65.8179.332.700112.3Y308 F309 H310 T314 P316 I319 Y333 A379 Y382Y308-Q312 WeakPolarHBondContact O-CB 2.9Å; Y308-Q312 VanDerWaalsContact O-CG 3.27Å; Y308-Q312 WeakPolarHBondContact O-CG 3.44Å; Y308-Q312 PolarHBondContact O-N 2.86Å; Y308-Q312 VanDerWaalsContact O-N 3.1Å; F309-Q312 PolarHBondContact O-N 3.43Å; H310-Q312 VanDerWaalsContact C-N 3.35Å; H310-Q312 PolarHBondContact O-N 2.97Å; Q312-T314 PolarHBondContact O-N 3.42Å; Q312-P316 WeakPolarHBondContact O-CB 3.1Å; Q312-P316 VanDerWaalsContact O-CD 3.31Å; Q312-P316 WeakPolarHBondContact O-CD 3.29Å; Q312-I319 HydrophobicContact CG-CG2 4.31Å; Q312-Y333 VanDerWaalsContact NE2-CE1 3.28Å; Q312-Y333 PolarHBondContact NE2-OH 3.21Å; Q312-A379 HydrophobicContact CB-CB 4.09Å; Q312-A379 HydrophobicContact CG-CB 3.82Å; Q312-Y382 HydrophobicContact CB-CD1 4.33Å; Q312-Y382 HydrophobicContact CB-CD2 4.03Å; Q312-Y382 HydrophobicContact CB-CG 3.79Å
313A98.4Very high97.7Very high8 Ų857.3 Ų57.37%0.06632%0.319CS..Hα-helixtrans-72.1-9.317800000114F309 H310 L383 V386F309-A313 HydrophobicContact CD1-CB 4.18Å; F309-A313 HydrophobicContact CE1-CB 3.98Å; F309-A313 WeakPolarHBondContact O-CB 3.39Å; F309-A313 PolarHBondContact O-N 3.49Å; H310-A313 PolarHBondContact O-N 2.88Å; A313-L383 WeakPolarHBondContact O-CA 3.35Å; A313-V386 HydrophobicContact CB-CG1 4.07Å; A313-V386 HydrophobicContact CB-CG2 3.85Å; A313-V386 WeakPolarHBondContact O-CG2 3.23Å
314T98.4Very high97.7Very high56 Ų5655.4 Ų55.434%0.34431%0.312SS..Hα-helixtrans-126.1-40.9-174.956.50000114.4H310 I311 Q312H310-T314 WeakPolarHBondContact O-CG2 3.48Å; H310-T314 PolarHBondContact O-N 3.21Å; H310-T314 PolarHBondContact O-OG1 3.28Å; I311-T314 PolarHBondContact O-N 2.85Å; I311-T314 PolarHBondContact O-OG1 2.94Å; Q312-T314 PolarHBondContact O-N 3.42Å
315K98.6Very high97.7Very high131 Ų13153.4 Ų53.457%0.5731%0.312SS*.  trans-138.855-175.7-54.5-64.2161.3-146.90111.7I311 D317 T318 I319I311-K315 CarbonylContact O-C 3.59Å; I311-K315 PolarHBondContact O-N 2.78Å; K315-D317 VanDerWaalsContact C-N 3.33Å; K315-D317 PolarHBondContact O-N 2.76Å; K315-T318 WeakPolarHBondContact O-CB 3.19Å; K315-T318 PolarHBondContact O-N 2.89Å; K315-I319 PolarHBondContact O-N 3.23Å
316P98.6Very high97.8Very high5 Ų553.2 Ų53.23%0.03232%0.316CS..Hα-helixtrans-60-40-174.224-33000112.8Q312 T318 I319 G320 A379 R380 L383Q312-P316 WeakPolarHBondContact O-CB 3.1Å; Q312-P316 VanDerWaalsContact O-CD 3.31Å; Q312-P316 WeakPolarHBondContact O-CD 3.29Å; P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 PolarHBondContact O-N 3.46Å; P316-I319 WeakPolarHBondContact O-CG2 3.16Å; P316-G320 WeakPolarHBondContact O-CA 3.29Å; P316-G320 PolarHBondContact O-N 3.37Å; P316-A379 HydrophobicContact CB-CB 3.69Å; P316-R380 HydrophobicContact CB-CG 4.04Å; P316-R380 HydrophobicContact CG-CB 4.48Å; P316-R380 HydrophobicContact CG-CG 3.91Å; P316-L383 HydrophobicContact CG-CB 4.17Å; P316-L383 HydrophobicContact CG-CD1 3.91Å
317D98.6Very high97.8Very high79 Ų7952 Ų5242%0.42231%0.307SS..Hα-helixtrans-65.9-29.3177.8-74.9-123000113.3K315 A321 R380K315-D317 VanDerWaalsContact C-N 3.33Å; K315-D317 PolarHBondContact O-N 2.76Å; D317-A321 WeakPolarHBondContact O-CB 3.48Å; D317-A321 PolarHBondContact O-N 3.02Å; D317-R380 IonicContact OD1-CZ 3.43Å; D317-R380 IonicContact OD1-NE 3.88Å; D317-R380 IonicContact OD1-NH2 2.85Å; D317-R380 PolarHBondContact OD1-NH2 3.34Å; D317-R380 IonicContact OD2-CZ 2.85Å; D317-R380 IonicContact OD2-NE 4Å; D317-R380 PolarHBondContact OD2-NE 3.46Å; D317-R380 IonicContact OD2-NH2 3.09Å
318T98.7Very high97.8Very high98 Ų9850.4 Ų50.460%0.60129%0.288SS*.Hα-helixtrans-72-51.6178.2-58.50000111.2K315 P316 G320K315-T318 WeakPolarHBondContact O-CB 3.19Å; K315-T318 PolarHBondContact O-N 2.89Å; P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 PolarHBondContact O-N 3.46Å; T318-G320 VanDerWaalsContact C-N 3.33Å
319I98.4Very high97.8Very high26 Ų2649.4 Ų49.413%0.13329%0.292CS..Hα-helixtrans-67.1-39.3176.4-176.257.7000110.6I311 Q312 K315 P316 A321 A322 L323 Y333I311-I319 HydrophobicContact CD1-CB 3.96Å; I311-I319 HydrophobicContact CD1-CD1 4.39Å; I311-I319 HydrophobicContact CD1-CG1 4.36Å; I311-I319 HydrophobicContact CG1-CB 4.11Å; I311-I319 HydrophobicContact CG1-CG2 4.26Å; Q312-I319 HydrophobicContact CG-CG2 4.31Å; K315-I319 PolarHBondContact O-N 3.23Å; P316-I319 WeakPolarHBondContact O-CG2 3.16Å; I319-A321 PolarHBondContact O-N 3.41Å; I319-A322 WeakPolarHBondContact O-CB 3.38Å; I319-A322 PolarHBondContact O-N 3.32Å; I319-A322 VanDerWaalsContact O-N 3.07Å; I319-L323 HydrophobicContact CD1-CD2 4.43Å; I319-L323 HydrophobicContact CD1-CG 4.28Å; I319-L323 HydrophobicContact CG1-CD1 4.06Å; I319-L323 HydrophobicContact CG1-CG 4.22Å; I319-L323 WeakPolarHBondContact O-CG 3.48Å; I319-L323 PolarHBondContact O-N 3.3Å; I319-Y333 HydrophobicContact CD1-CE2 4.33Å; I319-Y333 HydrophobicContact CG1-CE2 4.32Å
320G98.3Very high97.8Very high0 Ų046.2 Ų46.20%028%0.278CS..Hα-helixtrans-57.5-44.3177.600000113.2P316 T318 A322 L323 T324 T376P316-G320 WeakPolarHBondContact O-CA 3.29Å; P316-G320 PolarHBondContact O-N 3.37Å; T318-G320 VanDerWaalsContact C-N 3.33Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.09Å; G320-L323 PolarHBondContact O-N 2.57Å; G320-T324 WeakPolarHBondContact O-CB 3.49Å; G320-T324 PolarHBondContact O-N 3.42Å; G320-T324 PolarHBondContact O-OG1 3.33Å; G320-T376 VanDerWaalsContact C-OG1 3.24Å; G320-T376 WeakPolarHBondContact CA-OG1 3.49Å; G320-T376 PolarHBondContact O-OG1 2.88Å
321A98Very high97.8Very high63 Ų6340.2 Ų40.252%0.52125%0.25SS..Hα-helixtrans-58.9-37.8175.400000112.6D317 I319 S325D317-A321 WeakPolarHBondContact O-CB 3.48Å; D317-A321 PolarHBondContact O-N 3.02Å; I319-A321 PolarHBondContact O-N 3.41Å; A321-S325 WeakPolarHBondContact O-CB 3.28Å; A321-S325 PolarHBondContact O-N 3.25Å; A321-S325 PolarHBondContact O-OG 3.37Å
322A97.3Very high97.7Very high52 Ų5238.8 Ų38.843%0.4325%0.246SC..Hα-helixtrans-67.7-46.6175.800000111.6I319 G320 S325I319-A322 WeakPolarHBondContact O-CB 3.38Å; I319-A322 PolarHBondContact O-N 3.32Å; I319-A322 VanDerWaalsContact O-N 3.07Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.09Å; A322-S325 PolarHBondContact O-N 3.24Å; A322-S325 PolarHBondContact O-OG 3.09Å
323L97.6Very high97.7Very high17 Ų1740.7 Ų40.79%0.08925%0.253CS..Hα-helixtrans-65.9-43.9-178.6-61.4178.8000112.4I319 G320 S325 S326 L330 Y333 A375I319-L323 HydrophobicContact CD1-CD2 4.43Å; I319-L323 HydrophobicContact CD1-CG 4.28Å; I319-L323 HydrophobicContact CG1-CD1 4.06Å; I319-L323 HydrophobicContact CG1-CG 4.22Å; I319-L323 WeakPolarHBondContact O-CG 3.48Å; I319-L323 PolarHBondContact O-N 3.3Å; G320-L323 PolarHBondContact O-N 2.57Å; L323-S325 PolarHBondContact O-N 3.35Å; L323-S326 PolarHBondContact O-N 2.9Å; L323-L330 HydrophobicContact CB-CD1 4.19Å; L323-Y333 HydrophobicContact CD1-CD1 3.54Å; L323-Y333 HydrophobicContact CD1-CE1 3.79Å; L323-Y333 HydrophobicContact CD1-CG 3.99Å; L323-Y333 HydrophobicContact CD2-CD1 4.14Å; L323-Y333 HydrophobicContact CD2-CD2 4.16Å; L323-Y333 HydrophobicContact CD2-CG 3.71Å; L323-A375 HydrophobicContact CB-CB 4.35Å; L323-A375 HydrophobicContact CD1-CB 4.45Å
324T94.3Very high97.7Very high59 Ų5940.4 Ų40.436%0.36225%0.251SS..Hα-helixtrans-64.2-28.1177.4-68.90000112.4G320 N373G320-T324 WeakPolarHBondContact O-CB 3.49Å; G320-T324 PolarHBondContact O-N 3.42Å; G320-T324 PolarHBondContact O-OG1 3.33Å; T324-N373 WeakPolarHBondContact CB-OD1 3.47Å; T324-N373 WeakPolarHBondContact CG2-OD1 3.39Å; T324-N373 PolarHBondContact OG1-OD1 3.49Å
325S94.3Very high97.7Very high85 Ų8537.8 Ų37.859%0.59424%0.235SC*.THydrogen-bonded Turntrans-81.6-10.1-177.373.10000115A321 A322 L323A321-S325 WeakPolarHBondContact O-CB 3.28Å; A321-S325 PolarHBondContact O-N 3.25Å; A321-S325 PolarHBondContact O-OG 3.37Å; A322-S325 PolarHBondContact O-N 3.24Å; A322-S325 PolarHBondContact O-OG 3.09Å; L323-S325 PolarHBondContact O-N 3.35Å
326S96.1Very high97.7Very high45 Ų4533 Ų3332%0.31521%0.214SC..  trans-147.1109.8-173.7178.10000111L323 V328 G329 L330L323-S326 PolarHBondContact O-N 2.9Å; S326-V328 PolarHBondContact O-N 3.28Å; S326-G329 WeakPolarHBondContact O-CA 3.41Å; S326-G329 PolarHBondContact O-N 3.11Å; S326-G329 PolarHBondContact OG-N 2.93Å; S326-G329 VanDerWaalsContact OG-N 3.08Å; S326-L330 PolarHBondContact O-N 3.29Å
327P97.6Very high97.7Very high7 Ų733.5 Ų33.55%0.04522%0.216CC..Hα-helixtrans-59.8-32.5176.220.9-31.2000112.4L72 E75 L76 W107 L330 A331 Y370L72-P327 HydrophobicContact CD1-CB 3.65Å; L72-P327 HydrophobicContact CD1-CG 4.01Å; E75-P327 HydrophobicContact CB-CG 3.81Å; E75-P327 VanDerWaalsContact OE2-CD 3.29Å; E75-P327 WeakPolarHBondContact OE2-CD 3.38Å; L76-P327 HydrophobicContact CD2-CB 4.17Å; L76-P327 HydrophobicContact CD2-CG 4.11Å; W107-P327 HydrophobicContact CH2-CB 3.89Å; W107-P327 HydrophobicContact CZ3-CB 4.1Å; P327-L330 PolarHBondContact O-N 2.85Å; P327-A331 VanDerWaalsContact O-CB 3.3Å; P327-A331 WeakPolarHBondContact O-CB 3.33Å; P327-A331 PolarHBondContact O-N 3.07Å; P327-Y370 HydrophobicContact CB-CD2 4.03Å; P327-Y370 HydrophobicContact CB-CE2 3.85Å; P327-Y370 HydrophobicContact CG-CE2 4.4Å
328V97.9Very high97.6Very high13 Ų1329.7 Ų29.78%0.07920%0.196CC..Hα-helixtrans-70.4-37.8175.6-178.90000111.4L76 L80 L100 V104 S326 A331 S332L76-V328 HydrophobicContact CD2-CG2 3.86Å; L80-V328 HydrophobicContact CD2-CG1 4.28Å; L80-V328 HydrophobicContact CD2-CG2 3.79Å; L100-V328 HydrophobicContact CD1-CG1 4.33Å; L100-V328 HydrophobicContact CD2-CG1 3.72Å; L100-V328 HydrophobicContact CG-CG1 3.98Å; V104-V328 HydrophobicContact CG2-CB 4.45Å; V104-V328 HydrophobicContact CG2-CG1 4.01Å; V104-V328 HydrophobicContact CG2-CG2 3.86Å; S326-V328 PolarHBondContact O-N 3.28Å; V328-A331 PolarHBondContact O-N 2.86Å; V328-S332 WeakPolarHBondContact O-CB 3.4Å; V328-S332 PolarHBondContact O-N 3.07Å
329G97.8Very high97.5Very high26 Ų2625.1 Ų25.127%0.26817%0.167SC..Hα-helixtrans-65.6-43.6173.200000112.1S326 S332 Y333S326-G329 WeakPolarHBondContact O-CA 3.41Å; S326-G329 PolarHBondContact O-N 3.11Å; S326-G329 PolarHBondContact OG-N 2.93Å; S326-G329 VanDerWaalsContact OG-N 3.08Å; G329-S332 PolarHBondContact O-N 3.16Å; G329-Y333 WeakPolarHBondContact O-CB 3.41Å; G329-Y333 PolarHBondContact O-N 2.88Å; G329-Y333 VanDerWaalsContact O-N 3.12Å
330L98.6Very high97.3Very high6 Ų625.5 Ų25.53%0.03117%0.171CC..Hα-helixtrans-59.4-47.3172.8-178.765000111.6L323 S326 P327 Y333 I334 L366 A375L323-L330 HydrophobicContact CB-CD1 4.19Å; S326-L330 PolarHBondContact O-N 3.29Å; P327-L330 PolarHBondContact O-N 2.85Å; L330-Y333 PolarHBondContact O-N 3.37Å; L330-I334 HydrophobicContact CD1-CD1 3.69Å; L330-I334 HydrophobicContact CD1-CG1 4.27Å; L330-I334 HydrophobicContact CG-CD1 4.08Å; L330-I334 PolarHBondContact O-N 3.24Å; L330-L366 HydrophobicContact CD2-CD1 4.09Å; L330-L366 HydrophobicContact CG-CD1 3.82Å; L330-A375 HydrophobicContact CD1-CB 3.86Å
331A98.3Very high97.1Very high1 Ų126.7 Ų26.71%0.00818%0.179CC..Hα-helixtrans-58.2-52.2177.700000111.3L100 W107 P327 V328 Y333 I334 L335 L366L100-A331 HydrophobicContact CD1-CB 4.38Å; W107-A331 HydrophobicContact CE3-CB 4.48Å; W107-A331 HydrophobicContact CZ3-CB 3.94Å; P327-A331 VanDerWaalsContact O-CB 3.3Å; P327-A331 WeakPolarHBondContact O-CB 3.33Å; P327-A331 PolarHBondContact O-N 3.07Å; V328-A331 PolarHBondContact O-N 2.86Å; A331-Y333 VanDerWaalsContact C-N 3.28Å; A331-Y333 PolarHBondContact O-N 3.06Å; A331-I334 PolarHBondContact O-N 3.21Å; A331-L335 HydrophobicContact CB-CD1 4.1Å; A331-L335 WeakPolarHBondContact O-CB 3.3Å; A331-L335 WeakPolarHBondContact O-CG 3.45Å; A331-L335 PolarHBondContact O-N 3.3Å; A331-L366 HydrophobicContact CB-CD1 4.4Å; A331-L366 HydrophobicContact CB-CD2 3.69Å
332S98.1Very high96.8Very high35 Ų3523.8 Ų23.825%0.24516%0.155CC..Hα-helixtrans-53.5-45.7178179.80000112.3F95 V328 G329 E336F95-S332 WeakPolarHBondContact CB-OG 3.41Å; V328-S332 WeakPolarHBondContact O-CB 3.4Å; V328-S332 PolarHBondContact O-N 3.07Å; G329-S332 PolarHBondContact O-N 3.16Å; S332-E336 WeakPolarHBondContact O-CB 3.49Å; S332-E336 PolarHBondContact O-N 3.45Å
333Y98.6Very high96.6Very high42 Ų4223 Ų2317%0.16514%0.143CC..Hα-helixtrans-70-36.6-176.5-163.3-101.7000113.8W163 Y308 Q312 I319 L323 G329 L330 A331W163-Y333 HydrophobicContact CH2-CD1 4.33Å; W163-Y333 AromaticContact CH2-CE1 3.85Å; W163-Y333 HydrophobicContact CH2-CE1 3.85Å; W163-Y333 AromaticContact CZ2-CD1 3.98Å; W163-Y333 HydrophobicContact CZ2-CD1 3.98Å; W163-Y333 AromaticContact CZ2-CE1 3.54Å; W163-Y333 HydrophobicContact CZ2-CE1 3.54Å; Y308-Y333 WeakPolarHBondContact CB-OH 3.38Å; Q312-Y333 VanDerWaalsContact NE2-CE1 3.28Å; Q312-Y333 PolarHBondContact NE2-OH 3.21Å; I319-Y333 HydrophobicContact CD1-CE2 4.33Å; I319-Y333 HydrophobicContact CG1-CE2 4.32Å; L323-Y333 HydrophobicContact CD1-CD1 3.54Å; L323-Y333 HydrophobicContact CD1-CE1 3.79Å; L323-Y333 HydrophobicContact CD1-CG 3.99Å; L323-Y333 HydrophobicContact CD2-CD1 4.14Å; L323-Y333 HydrophobicContact CD2-CD2 4.16Å; L323-Y333 HydrophobicContact CD2-CG 3.71Å; G329-Y333 WeakPolarHBondContact O-CB 3.41Å; G329-Y333 PolarHBondContact O-N 2.88Å; G329-Y333 VanDerWaalsContact O-N 3.12Å; L330-Y333 PolarHBondContact O-N 3.37Å; A331-Y333 VanDerWaalsContact C-N 3.28Å; A331-Y333 PolarHBondContact O-N 3.06Å
334I98.4Very high96.1Very high2 Ų226.6 Ų26.61%0.0117%0.168CC..Hα-helixtrans-80.3-46.6178.2-70.7179.9000110.9P164 L330 A331 E336 K337 F338 L366 Y369P164-I334 HydrophobicContact CB-CG1 4.15Å; P164-I334 HydrophobicContact CB-CG2 4.21Å; P164-I334 HydrophobicContact CG-CG2 4.4Å; L330-I334 HydrophobicContact CD1-CD1 3.69Å; L330-I334 HydrophobicContact CD1-CG1 4.27Å; L330-I334 HydrophobicContact CG-CD1 4.08Å; L330-I334 PolarHBondContact O-N 3.24Å; A331-I334 PolarHBondContact O-N 3.21Å; I334-E336 VanDerWaalsContact C-N 3.27Å; I334-E336 PolarHBondContact O-N 3.41Å; I334-K337 PolarHBondContact O-N 3.31Å; I334-K337 VanDerWaalsContact O-N 3.14Å; I334-F338 HydrophobicContact CG2-CD2 4.09Å; I334-F338 HydrophobicContact CG2-CE2 3.82Å; I334-F338 WeakPolarHBondContact O-CD2 3.08Å; I334-F338 PolarHBondContact O-N 2.82Å; I334-L366 HydrophobicContact CB-CD1 4.32Å; I334-L366 HydrophobicContact CD1-CD1 3.88Å; I334-Y369 HydrophobicContact CD1-CD1 4.15Å; I334-Y369 HydrophobicContact CD1-CD2 3.8Å; I334-Y369 HydrophobicContact CD1-CE2 4.44Å; I334-Y369 HydrophobicContact CD1-CG 3.64Å
335L98.2Very high95.9Very high1 Ų126.9 Ų26.91%0.00518%0.183CC..Hα-helixtrans-64.5-31.5-175.9-66.1174.3000112.3F95 F103 A331 K337 F338 Q339 I353 V362F95-L335 HydrophobicContact CD2-CB 3.87Å; F95-L335 HydrophobicContact CE1-CD1 4.48Å; F95-L335 HydrophobicContact CE2-CB 3.33Å; F95-L335 HydrophobicContact CE2-CD1 4.42Å; F95-L335 HydrophobicContact CE2-CG 4.49Å; F95-L335 HydrophobicContact CZ-CB 3.78Å; F95-L335 HydrophobicContact CZ-CD1 3.99Å; F103-L335 HydrophobicContact CB-CD1 4.27Å; F103-L335 HydrophobicContact CD1-CD1 3.6Å; F103-L335 HydrophobicContact CD1-CD2 4.34Å; F103-L335 HydrophobicContact CE1-CD1 4.06Å; F103-L335 HydrophobicContact CE1-CD2 4.12Å; F103-L335 HydrophobicContact CG-CD1 3.98Å; A331-L335 HydrophobicContact CB-CD1 4.1Å; A331-L335 WeakPolarHBondContact O-CB 3.3Å; A331-L335 WeakPolarHBondContact O-CG 3.45Å; A331-L335 PolarHBondContact O-N 3.3Å; L335-K337 PolarHBondContact O-N 2.99Å; L335-F338 PolarHBondContact O-N 2.93Å; L335-F338 VanDerWaalsContact O-N 3.13Å; L335-Q339 PolarHBondContact O-N 3.1Å; L335-I353 HydrophobicContact CB-CD1 4.41Å; L335-V362 HydrophobicContact CD2-CG1 3.31Å
336E97.9Very high95.8Very high30 Ų3025 Ų2514%0.1417%0.166CC..Hα-helixtrans-57.9-37.2175-176-88.5124.400112F95 S332 I334 Q339 T340F95-E336 HydrophobicContact CB-CB 4.23Å; F95-E336 HydrophobicContact CD2-CB 4.04Å; S332-E336 WeakPolarHBondContact O-CB 3.49Å; S332-E336 PolarHBondContact O-N 3.45Å; I334-E336 VanDerWaalsContact C-N 3.27Å; I334-E336 PolarHBondContact O-N 3.41Å; E336-Q339 WeakPolarHBondContact O-CB 3.31Å; E336-Q339 PolarHBondContact O-N 3.41Å; E336-T340 WeakPolarHBondContact O-CB 3.46Å; E336-T340 PolarHBondContact O-N 3.02Å; E336-T340 PolarHBondContact O-OG1 3.07Å; E336-T340 VanDerWaalsContact O-OG1 3.1Å; E336-T340 PolarHBondContact OE1-OG1 3.04Å
337K97.7Very high95.6Very high16 Ų1625.6 Ų25.67%0.0716%0.163CC..Hα-helixtrans-70.8-37.1175.9-58.1-56.5168.2-153.40113W163 P164 Y308 I334 L335 Q339 C341W163-K337 HydrophobicContact CH2-CG 4.02Å; W163-K337 HydrophobicContact CZ3-CD 4.48Å; W163-K337 HydrophobicContact CZ3-CG 3.91Å; P164-K337 HydrophobicContact CG-CB 3.72Å; P164-K337 HydrophobicContact CG-CG 4.07Å; Y308-K337 HydrophobicContact CD1-CD 4.33Å; I334-K337 PolarHBondContact O-N 3.31Å; I334-K337 VanDerWaalsContact O-N 3.14Å; L335-K337 PolarHBondContact O-N 2.99Å; K337-Q339 VanDerWaalsContact C-N 3.31Å; K337-Q339 PolarHBondContact O-N 3.11Å; K337-C341 WeakPolarHBondContact O-CB 3.28Å; K337-C341 PolarHBondContact O-N 3.13Å; K337-C341 PolarHBondContact O-SG 3.02Å
338F97.4Very high95.5Very high0 Ų028.2 Ų28.20%018%0.175CC..Hα-helixtrans-64.6-36.2170.1-73.6-84.1000111.7P164 I334 L335 T342 I353 F357 V362 N365 F440 L443P164-F338 HydrophobicContact CG-CE2 4.47Å; I334-F338 HydrophobicContact CG2-CD2 4.09Å; I334-F338 HydrophobicContact CG2-CE2 3.82Å; I334-F338 WeakPolarHBondContact O-CD2 3.08Å; I334-F338 PolarHBondContact O-N 2.82Å; L335-F338 PolarHBondContact O-N 2.93Å; L335-F338 VanDerWaalsContact O-N 3.13Å; F338-T342 WeakPolarHBondContact O-CG2 3.49Å; F338-I353 HydrophobicContact CB-CD1 4.3Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; F338-F357 HydrophobicContact CB-CD2 4.34Å; F338-F357 HydrophobicContact CB-CE2 4.33Å; F338-F357 AromaticContact CD1-CD2 3.97Å; F338-F357 HydrophobicContact CD1-CD2 3.97Å; F338-F357 HydrophobicContact CD1-CE2 4.11Å; F338-F357 HydrophobicContact CD1-CG 4.2Å; F338-F357 HydrophobicContact CD1-CZ 4.44Å; F338-F357 VanDerWaalsContact O-CE2 3.28Å; F338-F357 WeakPolarHBondContact O-CE2 3.46Å; F338-V362 HydrophobicContact CB-CG1 4.21Å; F338-V362 HydrophobicContact CD1-CG1 4.26Å; F338-V362 HydrophobicContact CD1-CG2 3.81Å; F338-V362 HydrophobicContact CD2-CG1 3.77Å; F338-V362 HydrophobicContact CE1-CG2 4.18Å; F338-V362 HydrophobicContact CE2-CG1 4.19Å; F338-V362 HydrophobicContact CG-CG1 3.81Å; F338-V362 HydrophobicContact CG-CG2 4.12Å; F338-N365 HydrophobicContact CZ-CB 4.4Å; F338-F440 AromaticContact CD1-CD2 3.92Å; F338-F440 HydrophobicContact CD1-CD2 3.92Å; F338-F440 AromaticContact CD1-CE2 3.75Å; F338-F440 HydrophobicContact CD1-CE2 3.75Å; F338-F440 HydrophobicContact CD1-CG 4.47Å; F338-F440 HydrophobicContact CD1-CZ 4.18Å; F338-F440 HydrophobicContact CE1-CD1 4.14Å; F338-F440 AromaticContact CE1-CD2 3.97Å; F338-F440 HydrophobicContact CE1-CD2 3.97Å; F338-F440 HydrophobicContact CE1-CE1 4.09Å; F338-F440 AromaticContact CE1-CE2 3.91Å; F338-F440 HydrophobicContact CE1-CE2 3.91Å; F338-F440 HydrophobicContact CE1-CG 4.08Å; F338-F440 AromaticContact CE1-CZ 3.97Å; F338-F440 HydrophobicContact CE1-CZ 3.97Å; F338-F440 HydrophobicContact CE2-CZ 4.38Å; F338-F440 HydrophobicContact CG-CE2 4.18Å; F338-F440 HydrophobicContact CG-CZ 4.49Å; F338-F440 HydrophobicContact CZ-CD1 4.48Å; F338-F440 HydrophobicContact CZ-CE1 4.1Å; F338-F440 HydrophobicContact CZ-CE2 4.46Å; F338-F440 HydrophobicContact CZ-CZ 4.08Å; F338-L443 HydrophobicContact CE1-CD2 3.8Å
339Q96.7Very high95.4Very high1 Ų131.4 Ų31.41%0.00519%0.191CC..Hα-helixtrans-65.4-52.1176-176.96427.600111.7F91 F95 L335 E336 K337 T342 L346 K347 D349 I353F91-Q339 HydrophobicContact CB-CG 4.39Å; F91-Q339 HydrophobicContact CD1-CG 3.73Å; F91-Q339 HydrophobicContact CD2-CG 4.21Å; F91-Q339 HydrophobicContact CE1-CG 3.98Å; F91-Q339 HydrophobicContact CE2-CG 4.43Å; F91-Q339 HydrophobicContact CG-CG 3.86Å; F91-Q339 HydrophobicContact CZ-CG 4.32Å; F95-Q339 HydrophobicContact CE2-CB 4.48Å; L335-Q339 PolarHBondContact O-N 3.1Å; E336-Q339 WeakPolarHBondContact O-CB 3.31Å; E336-Q339 PolarHBondContact O-N 3.41Å; K337-Q339 VanDerWaalsContact C-N 3.31Å; K337-Q339 PolarHBondContact O-N 3.11Å; Q339-T342 WeakPolarHBondContact O-CG2 3.47Å; Q339-T342 PolarHBondContact O-N 3.22Å; Q339-T342 PolarHBondContact O-OG1 3.45Å; Q339-L346 PolarHBondContact NE2-O 3.44Å; Q339-K347 WeakPolarHBondContact CG-O 3.49Å; Q339-K347 VanDerWaalsContact NE2-C 3.3Å; Q339-K347 PolarHBondContact NE2-O 3.29Å; Q339-D349 PolarHBondContact NE2-O 3.15Å; Q339-I353 HydrophobicContact CB-CD1 4.01Å; Q339-I353 HydrophobicContact CB-CG1 4.32Å
340T95Very high95.3Very high34 Ų3434.1 Ų34.121%0.20920%0.196CC..Hα-helixtrans-64.8-42.3-177.4-64.40000111.5E305 E336 T342E305-T340 HydrophobicContact CG-CG2 4.42Å; E336-T340 WeakPolarHBondContact O-CB 3.46Å; E336-T340 PolarHBondContact O-N 3.02Å; E336-T340 PolarHBondContact O-OG1 3.07Å; E336-T340 VanDerWaalsContact O-OG1 3.1Å; E336-T340 PolarHBondContact OE1-OG1 3.04Å; T340-T342 PolarHBondContact O-N 2.9Å
341C93.8Very high95Very high26 Ų2635 Ų3518%0.17621%0.207CC..THydrogen-bonded Turntrans-81.343.8176.7-60.20000112.6K337 F357 S438 H439 F440K337-C341 WeakPolarHBondContact O-CB 3.28Å; K337-C341 PolarHBondContact O-N 3.13Å; K337-C341 PolarHBondContact O-SG 3.02Å; C341-F357 VanDerWaalsContact O-CZ 3.29Å; C341-F357 WeakPolarHBondContact O-CZ 3.48Å; C341-S438 WeakPolarHBondContact O-CB 3.33Å; C341-S438 PolarHBondContact O-OG 3Å; C341-H439 HydrophobicContact CB-CB 3.93Å; C341-F440 HydrophobicContact CB-CD2 3.91Å; C341-F440 HydrophobicContact CB-CE2 3.63Å
342T91.8Very high94.9Very high1 Ų135 Ų351%0.00621%0.207CC..SBendtrans-99.3-89.816949.40000109.6F338 Q339 T340 K347 A352 V356 F357 S438F338-T342 WeakPolarHBondContact O-CG2 3.49Å; Q339-T342 WeakPolarHBondContact O-CG2 3.47Å; Q339-T342 PolarHBondContact O-N 3.22Å; Q339-T342 PolarHBondContact O-OG1 3.45Å; T340-T342 PolarHBondContact O-N 2.9Å; T342-K347 PolarHBondContact OG1-N 3.47Å; T342-A352 HydrophobicContact CG2-CB 3.89Å; T342-V356 HydrophobicContact CG2-CB 4.09Å; T342-V356 HydrophobicContact CG2-CG1 4.29Å; T342-V356 HydrophobicContact CG2-CG2 3.94Å; T342-F357 HydrophobicContact CG2-CE2 3.84Å; T342-S438 VanDerWaalsContact O-CB 3.27Å; T342-S438 WeakPolarHBondContact O-CB 3.48Å
343N91.4Very high94.8Very high35 Ų3533.4 Ų33.419%0.18720%0.195CC..  trans-156.1163.1162.765.870.5000109G345 L346 K347 F411N343-G345 PolarHBondContact O-N 3.12Å; N343-G345 WeakPolarHBondContact OD1-CA 3.36Å; N343-G345 PolarHBondContact OD1-N 3.48Å; N343-L346 WeakPolarHBondContact ND2-CD1 3.4Å; N343-L346 VanDerWaalsContact ND2-CG 3.34Å; N343-L346 WeakPolarHBondContact ND2-CG 3.39Å; N343-L346 CarbonylContact O-C 3.48Å; N343-L346 PolarHBondContact O-N 2.96Å; N343-L346 PolarHBondContact OD1-N 3.41Å; N343-K347 PolarHBondContact O-N 3.27Å; N343-F411 HydrophobicContact CB-CB 4.07Å; N343-F411 HydrophobicContact CB-CD1 3.83Å; N343-F411 HydrophobicContact CB-CD2 3.29Å; N343-F411 HydrophobicContact CB-CE1 4.02Å; N343-F411 HydrophobicContact CB-CE2 3.51Å; N343-F411 HydrophobicContact CB-CG 3.45Å; N343-F411 VanDerWaalsContact CB-CG 3.45Å; N343-F411 HydrophobicContact CB-CZ 3.87Å
344P87.9Confident94.5Very high93 Ų9335 Ų3560%0.60421%0.209SC*.THydrogen-bonded Turntrans-55.9-28.4-177.9-28.336.3000114.7F411P344-F411 HydrophobicContact CG-CD1 4.14Å
345G89.6Confident94.3Very high66 Ų6640.3 Ų40.368%0.6824%0.241SC*.THydrogen-bonded Turntrans-81.1-18.2177.100000114.5N343N343-G345 PolarHBondContact O-N 3.12Å; N343-G345 WeakPolarHBondContact OD1-CA 3.36Å; N343-G345 PolarHBondContact OD1-N 3.48Å
346L93.4Very high94.2Very high46 Ų4641.6 Ų41.624%0.24125%0.249CC..THydrogen-bonded Turntrans-112.2-15.7-178.4-65.7-175.4000113.8Q339 N343 Q348 D349 A352 V356Q339-L346 PolarHBondContact NE2-O 3.44Å; N343-L346 WeakPolarHBondContact ND2-CD1 3.4Å; N343-L346 VanDerWaalsContact ND2-CG 3.34Å; N343-L346 WeakPolarHBondContact ND2-CG 3.39Å; N343-L346 CarbonylContact O-C 3.48Å; N343-L346 PolarHBondContact O-N 2.96Å; N343-L346 PolarHBondContact OD1-N 3.41Å; L346-Q348 PolarHBondContact O-N 3.27Å; L346-D349 HydrophobicContact CD2-CB 4.45Å; L346-D349 WeakPolarHBondContact O-CB 3.29Å; L346-D349 PolarHBondContact O-N 2.99Å; L346-A352 HydrophobicContact CB-CB 3.95Å; L346-A352 VanDerWaalsContact O-CB 3.23Å; L346-A352 WeakPolarHBondContact O-CB 3.27Å; L346-V356 HydrophobicContact CD1-CG2 3.92Å
347K91.8Very high94.1Very high57 Ų5740.9 Ų40.925%0.24825%0.246CC..THydrogen-bonded Turntrans-61.4-16.3-175.372.7172.2-170.5164.70114.6E305 Q339 T342 N343E305-K347 IonicContact OE1-NZ 2.83Å; Q339-K347 WeakPolarHBondContact CG-O 3.49Å; Q339-K347 VanDerWaalsContact NE2-C 3.3Å; Q339-K347 PolarHBondContact NE2-O 3.29Å; T342-K347 PolarHBondContact OG1-N 3.47Å; N343-K347 PolarHBondContact O-N 3.27Å
348Q95.3Very high94Very high62 Ų6241.5 Ų41.529%0.2926%0.256SS..THydrogen-bonded Turntrans-100.5-2.5173.3-58.7-57-22.400114A90 L346A90-Q348 HydrophobicContact CB-CB 4.22Å; L346-Q348 PolarHBondContact O-N 3.27Å
349D96Very high93.9Very high79 Ų7942.7 Ų42.742%0.42226%0.263SS..  trans-86.4126.3178.8-173.6-23.6000110.5Q339 L346 G351 A352Q339-D349 PolarHBondContact NE2-O 3.15Å; L346-D349 HydrophobicContact CD2-CB 4.45Å; L346-D349 WeakPolarHBondContact O-CB 3.29Å; L346-D349 PolarHBondContact O-N 2.99Å; D349-G351 PolarHBondContact O-N 2.75Å; D349-G351 PolarHBondContact OD1-N 2.87Å; D349-A352 HydrophobicContact CB-CB 4.28Å; D349-A352 VanDerWaalsContact O-CB 3.29Å; D349-A352 WeakPolarHBondContact O-CB 3.29Å; D349-A352 PolarHBondContact O-N 2.74Å; D349-A352 VanDerWaalsContact O-N 3.17Å
350F94.6Very high93.9Very high84 Ų8445.2 Ų45.237%0.36828%0.275SS..THydrogen-bonded Turntrans-63.5-21.4179-76-109.4000113.3A90 F91 N96 A99A90-F350 HydrophobicContact CB-CE2 4.02Å; F91-F350 HydrophobicContact CE2-CD1 4.18Å; F91-F350 AromaticContact CE2-CD2 3.98Å; F91-F350 HydrophobicContact CE2-CD2 3.98Å; F91-F350 HydrophobicContact CE2-CE1 4.35Å; F91-F350 HydrophobicContact CE2-CE2 4.15Å; F91-F350 AromaticContact CE2-CG 3.98Å; F91-F350 HydrophobicContact CE2-CG 3.98Å; F91-F350 HydrophobicContact CE2-CZ 4.34Å; F91-F350 HydrophobicContact CZ-CD1 4.27Å; F91-F350 HydrophobicContact CZ-CE1 4.49Å; F91-F350 HydrophobicContact CZ-CG 4.44Å; N96-F350 HydrophobicContact CB-CE1 4.02Å; N96-F350 HydrophobicContact CB-CZ 4.08Å; A99-F350 HydrophobicContact CB-CD1 3.65Å; A99-F350 HydrophobicContact CB-CE1 3.76Å
351G93.9Very high94Very high25 Ų2544.1 Ų44.126%0.25827%0.269SS..THydrogen-bonded Turntrans-951.7177.600000114.9D349 I353 V354 T355D349-G351 PolarHBondContact O-N 2.75Å; D349-G351 PolarHBondContact OD1-N 2.87Å; G351-I353 PolarHBondContact O-N 3.13Å; G351-V354 PolarHBondContact O-N 2.9Å; G351-T355 PolarHBondContact O-N 3.1Å; G351-T355 VanDerWaalsContact O-N 3.09Å; G351-T355 PolarHBondContact O-OG1 2.86Å
352A95.1Very high94.2Very high1 Ų142.9 Ų42.91%0.00826%0.261CS..Hα-helixtrans-62.1-48.3-171.300000113T342 L346 D349 V354 T355 V356T342-A352 HydrophobicContact CG2-CB 3.89Å; L346-A352 HydrophobicContact CB-CB 3.95Å; L346-A352 VanDerWaalsContact O-CB 3.23Å; L346-A352 WeakPolarHBondContact O-CB 3.27Å; D349-A352 HydrophobicContact CB-CB 4.28Å; D349-A352 VanDerWaalsContact O-CB 3.29Å; D349-A352 WeakPolarHBondContact O-CB 3.29Å; D349-A352 PolarHBondContact O-N 2.74Å; D349-A352 VanDerWaalsContact O-N 3.17Å; A352-V354 VanDerWaalsContact C-N 3.28Å; A352-V354 PolarHBondContact O-N 3.3Å; A352-T355 PolarHBondContact O-N 3.28Å; A352-T355 VanDerWaalsContact O-N 3.13Å; A352-V356 WeakPolarHBondContact O-CB 3.42Å; A352-V356 WeakPolarHBondContact O-CG2 3.23Å; A352-V356 PolarHBondContact O-N 3.21Å
353I95.5Very high94.5Very high0 Ų043 Ų430%026%0.261CS..Hα-helixtrans-55.5-45.2178.6-72.6170.2000111.2F95 F103 L335 F338 Q339 G351 T355 F357 G358 V362F95-I353 HydrophobicContact CE2-CD1 4.04Å; F95-I353 HydrophobicContact CZ-CD1 4.41Å; F103-I353 HydrophobicContact CE1-CD1 4.27Å; F103-I353 HydrophobicContact CE1-CG2 4.19Å; F103-I353 HydrophobicContact CZ-CB 4.1Å; F103-I353 HydrophobicContact CZ-CD1 3.73Å; F103-I353 HydrophobicContact CZ-CG2 4.11Å; L335-I353 HydrophobicContact CB-CD1 4.41Å; F338-I353 HydrophobicContact CB-CD1 4.3Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; Q339-I353 HydrophobicContact CB-CD1 4.01Å; Q339-I353 HydrophobicContact CB-CG1 4.32Å; G351-I353 PolarHBondContact O-N 3.13Å; I353-T355 VanDerWaalsContact C-N 3.33Å; I353-T355 PolarHBondContact O-N 3.49Å; I353-F357 PolarHBondContact O-N 3.18Å; I353-G358 PolarHBondContact O-N 2.84Å; I353-V362 HydrophobicContact CG2-CB 4.22Å; I353-V362 HydrophobicContact CG2-CG1 4.31Å; I353-V362 HydrophobicContact CG2-CG2 3.91Å
354V94.2Very high94.9Very high77 Ų7741.3 Ų41.347%0.46725%0.252SS..Hα-helixtrans-63.6-42.2-179.2-172.50000110.7G351 A352 G358 L359G351-V354 PolarHBondContact O-N 2.9Å; A352-V354 VanDerWaalsContact C-N 3.28Å; A352-V354 PolarHBondContact O-N 3.3Å; V354-G358 WeakPolarHBondContact O-CA 3.45Å; V354-G358 PolarHBondContact O-N 2.96Å; V354-L359 HydrophobicContact CG2-CB 4.26Å
355T94Very high95.4Very high112 Ų11237 Ų3769%0.68722%0.224SC*.Hα-helixtrans-74.1-38.3-175.8-54.70000112.5G351 A352 I353G351-T355 PolarHBondContact O-N 3.1Å; G351-T355 VanDerWaalsContact O-N 3.09Å; G351-T355 PolarHBondContact O-OG1 2.86Å; A352-T355 PolarHBondContact O-N 3.28Å; A352-T355 VanDerWaalsContact O-N 3.13Å; I353-T355 VanDerWaalsContact C-N 3.33Å; I353-T355 PolarHBondContact O-N 3.49Å
356V95.7Very high95.9Very high28 Ų2833.8 Ų33.817%0.1719%0.191CC..Hα-helixtrans-89.1-43-171.6176.90000112.1T342 L346 A352 E444T342-V356 HydrophobicContact CG2-CB 4.09Å; T342-V356 HydrophobicContact CG2-CG1 4.29Å; T342-V356 HydrophobicContact CG2-CG2 3.94Å; L346-V356 HydrophobicContact CD1-CG2 3.92Å; A352-V356 WeakPolarHBondContact O-CB 3.42Å; A352-V356 WeakPolarHBondContact O-CG2 3.23Å; A352-V356 PolarHBondContact O-N 3.21Å; V356-E444 HydrophobicContact CG1-CG 3.61Å
357F96.3Very high96.1Very high16 Ų1631.6 Ų31.67%0.0718%0.18CC..THydrogen-bonded Turntrans-114.1-21.8-173.7-57.4-65.6000113.8F338 C341 T342 I353 V362 F440 L443 E444F338-F357 HydrophobicContact CB-CD2 4.34Å; F338-F357 HydrophobicContact CB-CE2 4.33Å; F338-F357 AromaticContact CD1-CD2 3.97Å; F338-F357 HydrophobicContact CD1-CD2 3.97Å; F338-F357 HydrophobicContact CD1-CE2 4.11Å; F338-F357 HydrophobicContact CD1-CG 4.2Å; F338-F357 HydrophobicContact CD1-CZ 4.44Å; F338-F357 VanDerWaalsContact O-CE2 3.28Å; F338-F357 WeakPolarHBondContact O-CE2 3.46Å; C341-F357 VanDerWaalsContact O-CZ 3.29Å; C341-F357 WeakPolarHBondContact O-CZ 3.48Å; T342-F357 HydrophobicContact CG2-CE2 3.84Å; I353-F357 PolarHBondContact O-N 3.18Å; F357-V362 HydrophobicContact CB-CG2 3.5Å; F357-V362 VanDerWaalsContact CB-CG2 3.5Å; F357-V362 HydrophobicContact CD2-CG2 4.37Å; F357-V362 HydrophobicContact CG-CG2 4.16Å; F357-F440 HydrophobicContact CE1-CB 3.83Å; F357-F440 HydrophobicContact CE1-CD2 4.04Å; F357-F440 HydrophobicContact CE1-CG 4.36Å; F357-F440 HydrophobicContact CZ-CB 4.41Å; F357-F440 AromaticContact CZ-CD2 3.81Å; F357-F440 HydrophobicContact CZ-CD2 3.81Å; F357-L443 HydrophobicContact CB-CD2 4.25Å; F357-L443 HydrophobicContact CD1-CD2 3.79Å; F357-L443 HydrophobicContact CD1-CG 4Å; F357-L443 HydrophobicContact CG-CD2 4.28Å; F357-E444 HydrophobicContact CD1-CB 4.26Å; F357-E444 HydrophobicContact CE1-CB 3.85Å; F357-E444 HydrophobicContact CE1-CG 4.14Å
358G95.3Very high96.4Very high28 Ų2829 Ų2929%0.28917%0.168SC..  trans78.2129.4-166.300000111.5I353 V354 E360 A361 V362I353-G358 PolarHBondContact O-N 2.84Å; V354-G358 WeakPolarHBondContact O-CA 3.45Å; V354-G358 PolarHBondContact O-N 2.96Å; G358-E360 PolarHBondContact O-N 2.7Å; G358-A361 PolarHBondContact O-N 3.35Å; G358-V362 PolarHBondContact O-N 3.38Å
359L94.5Very high96.6Very high25 Ų2526.1 Ų26.113%0.13116%0.155CC..Hα-helixtrans-61.6-41.3-173.2-175.853.4000113.1F103 Y106 V354 A361 V362 L363F103-L359 HydrophobicContact CD1-CD1 3.57Å; F103-L359 HydrophobicContact CE1-CD1 3.14Å; F103-L359 HydrophobicContact CZ-CD1 4.03Å; Y106-L359 HydrophobicContact CD1-CD2 3.38Å; Y106-L359 HydrophobicContact CD1-CG 3.97Å; Y106-L359 HydrophobicContact CD2-CD2 4.13Å; Y106-L359 HydrophobicContact CE1-CD2 3.56Å; Y106-L359 HydrophobicContact CE1-CG 3.89Å; Y106-L359 HydrophobicContact CE2-CD2 4.28Å; Y106-L359 HydrophobicContact CG-CD2 3.69Å; V354-L359 HydrophobicContact CG2-CB 4.26Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.11Å; L359-V362 PolarHBondContact O-N 3.48Å; L359-L363 HydrophobicContact CD1-CD1 4.2Å; L359-L363 HydrophobicContact CD1-CG 4.27Å; L359-L363 HydrophobicContact CG-CD1 4.05Å; L359-L363 WeakPolarHBondContact O-CG 3.24Å; L359-L363 PolarHBondContact O-N 2.81Å
360E96.9Very high96.7Very high55 Ų5524.3 Ų24.326%0.25714%0.142SC..Hα-helixtrans-63.4-39.3179.6-65.2-173.9165.500111.7Y111 K114 R118 G358 V362 L363 D364Y111-E360 HydrophobicContact CD2-CG 4.41Å; Y111-E360 HydrophobicContact CE2-CB 4.44Å; K114-E360 IonicContact NZ-OE1 2.75Å; R118-E360 IonicContact CZ-OE2 2.9Å; R118-E360 IonicContact NH1-OE2 3.87Å; R118-E360 PolarHBondContact NH1-OE2 3.26Å; G358-E360 PolarHBondContact O-N 2.7Å; E360-V362 VanDerWaalsContact C-N 3.35Å; E360-V362 PolarHBondContact O-N 2.76Å; E360-L363 PolarHBondContact O-N 3.34Å; E360-D364 WeakPolarHBondContact O-CB 3.4Å; E360-D364 PolarHBondContact O-N 3.02Å
361A97.6Very high96.9Very high11 Ų1122.3 Ų22.39%0.09114%0.136CC..Hα-helixtrans-67.3-36.8-179.900000112.7G358 L359 D364 N365 L443G358-A361 PolarHBondContact O-N 3.35Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.11Å; A361-D364 WeakPolarHBondContact O-CB 3.38Å; A361-D364 PolarHBondContact O-N 3.42Å; A361-N365 PolarHBondContact O-N 3.3Å; A361-N365 VanDerWaalsContact O-N 3.15Å; A361-L443 HydrophobicContact CB-CD1 4.06Å
362V98.1Very high97.1Very high0 Ų022.9 Ų22.90%013%0.134CC..Hα-helixtrans-71.3-39.5175.4178.10000111.1L335 F338 I353 F357 G358 L359 E360 N365 L366L335-V362 HydrophobicContact CD2-CG1 3.31Å; F338-V362 HydrophobicContact CB-CG1 4.21Å; F338-V362 HydrophobicContact CD1-CG1 4.26Å; F338-V362 HydrophobicContact CD1-CG2 3.81Å; F338-V362 HydrophobicContact CD2-CG1 3.77Å; F338-V362 HydrophobicContact CE1-CG2 4.18Å; F338-V362 HydrophobicContact CE2-CG1 4.19Å; F338-V362 HydrophobicContact CG-CG1 3.81Å; F338-V362 HydrophobicContact CG-CG2 4.12Å; I353-V362 HydrophobicContact CG2-CB 4.22Å; I353-V362 HydrophobicContact CG2-CG1 4.31Å; I353-V362 HydrophobicContact CG2-CG2 3.91Å; F357-V362 HydrophobicContact CB-CG2 3.5Å; F357-V362 VanDerWaalsContact CB-CG2 3.5Å; F357-V362 HydrophobicContact CD2-CG2 4.37Å; F357-V362 HydrophobicContact CG-CG2 4.16Å; G358-V362 PolarHBondContact O-N 3.38Å; L359-V362 PolarHBondContact O-N 3.48Å; E360-V362 VanDerWaalsContact C-N 3.35Å; E360-V362 PolarHBondContact O-N 2.76Å; V362-N365 PolarHBondContact O-N 3.06Å; V362-L366 PolarHBondContact O-N 3.02Å
363L98.4Very high97.3Very high2 Ų227.1 Ų27.11%0.0116%0.157CC..Hα-helixtrans-67.1-36173.4-72.6174.2000112.3Y106 W107 Y111 L359 E360 N365 L366 M367Y106-L363 HydrophobicContact CD1-CD1 3.77Å; Y106-L363 HydrophobicContact CE1-CD1 3.95Å; W107-L363 HydrophobicContact CB-CD2 4.28Å; W107-L363 HydrophobicContact CD2-CD2 4.25Å; W107-L363 HydrophobicContact CG-CD2 4.01Å; Y111-L363 HydrophobicContact CD1-CB 4.41Å; Y111-L363 HydrophobicContact CD1-CD1 4.48Å; Y111-L363 HydrophobicContact CD2-CB 3.69Å; Y111-L363 HydrophobicContact CD2-CD1 3.67Å; Y111-L363 HydrophobicContact CD2-CG 4.35Å; Y111-L363 HydrophobicContact CE1-CB 4.28Å; Y111-L363 HydrophobicContact CE2-CB 3.52Å; Y111-L363 HydrophobicContact CE2-CD1 4.39Å; Y111-L363 HydrophobicContact CG-CB 4.14Å; Y111-L363 HydrophobicContact CG-CD1 3.72Å; L359-L363 HydrophobicContact CD1-CD1 4.2Å; L359-L363 HydrophobicContact CD1-CG 4.27Å; L359-L363 HydrophobicContact CG-CD1 4.05Å; L359-L363 WeakPolarHBondContact O-CG 3.24Å; L359-L363 PolarHBondContact O-N 2.81Å; E360-L363 PolarHBondContact O-N 3.34Å; L363-N365 VanDerWaalsContact C-N 3.3Å; L363-N365 PolarHBondContact O-N 3.28Å; L363-L366 HydrophobicContact CD2-CD2 3.92Å; L363-L366 WeakPolarHBondContact O-CB 3.39Å; L363-L366 PolarHBondContact O-N 3.36Å; L363-M367 WeakPolarHBondContact O-CB 3.44Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.48Å; L363-M367 PolarHBondContact O-N 2.81Å
364D98.8Very high97.4Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-57.3-45.9171.6-67.6-22.3000110.4Y111 R118 F122 R168 E360 A361 M367 V368Y111-D364 WeakPolarHBondContact CE2-OD1 3.14Å; Y111-D364 WeakPolarHBondContact OH-CA 3.3Å; Y111-D364 PolarHBondContact OH-N 2.55Å; Y111-D364 PolarHBondContact OH-OD1 2.91Å; R118-D364 WeakPolarHBondContact CD-OD1 3.27Å; F122-D364 HydrophobicContact CE2-CB 4.07Å; F122-D364 HydrophobicContact CZ-CB 3.96Å; R168-D364 HydrophobicContact CG-CB 3.81Å; R168-D364 IonicContact CZ-OD2 3.98Å; R168-D364 IonicContact NE-OD2 3.98Å; R168-D364 PolarHBondContact NE-OD2 3.22Å; R168-D364 IonicContact NH2-OD2 3.04Å; R168-D364 PolarHBondContact NH2-OD2 3.18Å; R168-D364 VanDerWaalsContact NH2-OD2 3.09Å; E360-D364 WeakPolarHBondContact O-CB 3.4Å; E360-D364 PolarHBondContact O-N 3.02Å; A361-D364 WeakPolarHBondContact O-CB 3.38Å; A361-D364 PolarHBondContact O-N 3.42Å; D364-M367 PolarHBondContact O-N 2.75Å; D364-V368 PolarHBondContact O-N 2.83Å; D364-V368 VanDerWaalsContact O-N 3.17Å
365N98.8Very high97.6Very high2 Ų224 Ų241%0.01114%0.139CC..Hα-helixtrans-64-43.3176.5-177.476.8000111.9P164 G165 S166 R168 F338 A361 V362 L363 M367 V368 Y369P164-N365 PolarHBondContact O-ND2 3.05Å; G165-N365 VanDerWaalsContact C-OD1 3.29Å; S166-N365 WeakPolarHBondContact CB-OD1 3.46Å; S166-N365 PolarHBondContact N-OD1 2.71Å; S166-N365 PolarHBondContact OG-OD1 3.32Å; R168-N365 HydrophobicContact CB-CB 4.49Å; R168-N365 HydrophobicContact CG-CB 4.38Å; F338-N365 HydrophobicContact CZ-CB 4.4Å; A361-N365 PolarHBondContact O-N 3.3Å; A361-N365 VanDerWaalsContact O-N 3.15Å; V362-N365 PolarHBondContact O-N 3.06Å; L363-N365 VanDerWaalsContact C-N 3.3Å; L363-N365 PolarHBondContact O-N 3.28Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.49Å; N365-V368 WeakPolarHBondContact O-CB 3.28Å; N365-V368 PolarHBondContact O-N 3.42Å; N365-Y369 WeakPolarHBondContact O-CD2 3.16Å
366L98.8Very high97.8Very high0 Ų019.8 Ų19.80%011%0.113CC..Hα-helixtrans-58.8-42.1174.6175.361.6000111.9W107 L330 A331 I334 V362 L363 V368 Y369 Y370W107-L366 HydrophobicContact CD2-CD2 4.41Å; W107-L366 HydrophobicContact CE3-CD2 4.14Å; W107-L366 HydrophobicContact CH2-CD2 3.68Å; W107-L366 HydrophobicContact CH2-CG 4.13Å; W107-L366 HydrophobicContact CZ2-CD2 3.96Å; W107-L366 HydrophobicContact CZ2-CG 4.27Å; W107-L366 HydrophobicContact CZ3-CD2 3.78Å; L330-L366 HydrophobicContact CD2-CD1 4.09Å; L330-L366 HydrophobicContact CG-CD1 3.82Å; A331-L366 HydrophobicContact CB-CD1 4.4Å; A331-L366 HydrophobicContact CB-CD2 3.69Å; I334-L366 HydrophobicContact CB-CD1 4.32Å; I334-L366 HydrophobicContact CD1-CD1 3.88Å; V362-L366 PolarHBondContact O-N 3.02Å; L363-L366 HydrophobicContact CD2-CD2 3.92Å; L363-L366 WeakPolarHBondContact O-CB 3.39Å; L363-L366 PolarHBondContact O-N 3.36Å; L366-V368 VanDerWaalsContact C-N 3.27Å; L366-V368 PolarHBondContact O-N 3.27Å; L366-Y369 PolarHBondContact O-N 2.91Å; L366-Y369 VanDerWaalsContact O-N 3.11Å; L366-Y370 PolarHBondContact O-N 3.13Å
367M98.8Very high98Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-63.6-31.6178.3-73.9-61.6-6500112.4I69 L72 W107 Y111 L112 W115 L363 D364 N365 Y369 Y370 L371I69-M367 HydrophobicContact CD1-CE 3.92Å; L72-M367 HydrophobicContact CD2-CE 3.77Å; L72-M367 HydrophobicContact CD2-SD 3.6Å; L72-M367 VanDerWaalsContact CD2-SD 3.6Å; W107-M367 HydrophobicContact CZ2-SD 3.63Å; Y111-M367 HydrophobicContact CE1-CG 3.68Å; Y111-M367 HydrophobicContact CE1-SD 4.4Å; L112-M367 HydrophobicContact CD2-CE 4.28Å; L112-M367 HydrophobicContact CD2-SD 4.33Å; W115-M367 HydrophobicContact CE3-CE 3.99Å; W115-M367 HydrophobicContact CH2-CB 4.15Å; W115-M367 HydrophobicContact CH2-CE 3.84Å; W115-M367 HydrophobicContact CH2-CG 4.41Å; W115-M367 HydrophobicContact CZ2-CE 4.43Å; W115-M367 HydrophobicContact CZ3-CB 3.98Å; W115-M367 HydrophobicContact CZ3-CE 3.59Å; W115-M367 HydrophobicContact CZ3-CG 3.79Å; W115-M367 HydrophobicContact CZ3-SD 4.45Å; L363-M367 WeakPolarHBondContact O-CB 3.44Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.48Å; L363-M367 PolarHBondContact O-N 2.81Å; D364-M367 PolarHBondContact O-N 2.75Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.49Å; M367-Y369 VanDerWaalsContact C-N 3.34Å; M367-Y369 PolarHBondContact O-N 3.31Å; M367-Y370 HydrophobicContact CE-CD1 4.36Å; M367-Y370 PolarHBondContact O-N 3.49Å; M367-L371 HydrophobicContact CB-CD1 4.33Å; M367-L371 HydrophobicContact CE-CD1 3.93Å; M367-L371 HydrophobicContact CE-CD2 3.99Å; M367-L371 HydrophobicContact CE-CG 3.88Å; M367-L371 VanDerWaalsContact O-CB 3.25Å; M367-L371 WeakPolarHBondContact O-CB 3.48Å; M367-L371 WeakPolarHBondContact O-CD1 3.42Å; M367-L371 WeakPolarHBondContact O-CG 3.36Å; M367-L371 PolarHBondContact O-N 3.43Å
368V98.8Very high98.1Very high1 Ų119.2 Ų19.21%0.00611%0.111CC..Hα-helixtrans-57-49.3171.3176.60000110.2F122 W200 D364 N365 L366 T372F122-V368 HydrophobicContact CE1-CG2 3.8Å; F122-V368 HydrophobicContact CZ-CG2 3.78Å; W200-V368 HydrophobicContact CH2-CG1 4.46Å; W200-V368 HydrophobicContact CH2-CG2 3.83Å; W200-V368 HydrophobicContact CZ2-CG2 4.4Å; W200-V368 HydrophobicContact CZ3-CG2 4.37Å; D364-V368 PolarHBondContact O-N 2.83Å; D364-V368 VanDerWaalsContact O-N 3.17Å; N365-V368 WeakPolarHBondContact O-CB 3.28Å; N365-V368 PolarHBondContact O-N 3.42Å; L366-V368 VanDerWaalsContact C-N 3.27Å; L366-V368 PolarHBondContact O-N 3.27Å; V368-T372 WeakPolarHBondContact O-CG2 3.34Å; V368-T372 PolarHBondContact O-N 3.17Å; V368-T372 PolarHBondContact O-OG1 2.93Å
369Y98.8Very high98.2Very high2 Ų218.1 Ų18.11%0.00810%0.099CC..Hα-helixtrans-68.3-38.2-179.7-76.9-96.6000113.2P164 G165 Y198 I334 N365 L366 M367 N373 S374 A375 A378P164-Y369 VanDerWaalsContact C-OH 3.27Å; P164-Y369 WeakPolarHBondContact O-CE2 3.18Å; P164-Y369 PolarHBondContact O-OH 3.5Å; G165-Y369 VanDerWaalsContact O-CE2 3.32Å; G165-Y369 WeakPolarHBondContact O-CE2 3.37Å; G165-Y369 PolarHBondContact O-OH 3.27Å; Y198-Y369 HydrophobicContact CD1-CE1 4.45Å; Y198-Y369 WeakPolarHBondContact CD1-OH 3.18Å; I334-Y369 HydrophobicContact CD1-CD1 4.15Å; I334-Y369 HydrophobicContact CD1-CD2 3.8Å; I334-Y369 HydrophobicContact CD1-CE2 4.44Å; I334-Y369 HydrophobicContact CD1-CG 3.64Å; N365-Y369 WeakPolarHBondContact O-CD2 3.16Å; L366-Y369 PolarHBondContact O-N 2.91Å; L366-Y369 VanDerWaalsContact O-N 3.11Å; M367-Y369 VanDerWaalsContact C-N 3.34Å; M367-Y369 PolarHBondContact O-N 3.31Å; Y369-N373 WeakPolarHBondContact O-CA 3.3Å; Y369-N373 PolarHBondContact O-N 2.73Å; Y369-N373 VanDerWaalsContact O-N 3.12Å; Y369-S374 PolarHBondContact O-N 3.42Å; Y369-A375 HydrophobicContact CD1-CB 4.42Å; Y369-A378 HydrophobicContact CE1-CB 4.06Å
370Y98.6Very high98.4Very high41 Ų4121.5 Ų21.516%0.16111%0.11CC..Hα-helixtrans-65.1-54.6178.1178.3-98000111.1L72 E75 P327 L366 M367 T372 N373L72-Y370 WeakPolarHBondContact CA-OH 3.27Å; L72-Y370 HydrophobicContact CB-CE1 3.72Å; L72-Y370 WeakPolarHBondContact CB-OH 3.11Å; L72-Y370 HydrophobicContact CD1-CD1 4.43Å; L72-Y370 HydrophobicContact CD1-CD2 4.23Å; L72-Y370 HydrophobicContact CD1-CE1 3.94Å; L72-Y370 HydrophobicContact CD1-CE2 3.72Å; L72-Y370 HydrophobicContact CD2-CD1 3.92Å; L72-Y370 HydrophobicContact CD2-CE1 3.75Å; L72-Y370 HydrophobicContact CG-CE1 3.98Å; E75-Y370 PolarHBondContact OE1-OH 3.33Å; P327-Y370 HydrophobicContact CB-CD2 4.03Å; P327-Y370 HydrophobicContact CB-CE2 3.85Å; P327-Y370 HydrophobicContact CG-CE2 4.4Å; L366-Y370 PolarHBondContact O-N 3.13Å; M367-Y370 HydrophobicContact CE-CD1 4.36Å; M367-Y370 PolarHBondContact O-N 3.49Å; Y370-T372 VanDerWaalsContact C-N 3.29Å; Y370-T372 PolarHBondContact O-N 3.22Å; Y370-N373 PolarHBondContact O-N 2.86Å
371L98.5Very high98.5Very high43 Ų4319.2 Ų19.223%0.22510%0.099CC..Hα-helixtrans-67.6-27-172.6-68.3170.2000113.8V64 W115 M367V64-L371 HydrophobicContact CG1-CD2 3.76Å; V64-L371 HydrophobicContact CG2-CD1 3.83Å; V64-L371 HydrophobicContact CG2-CD2 4.17Å; W115-L371 HydrophobicContact CH2-CD1 3.47Å; W115-L371 VanDerWaalsContact CH2-CD1 3.47Å; W115-L371 HydrophobicContact CZ2-CD1 3.63Å; M367-L371 HydrophobicContact CB-CD1 4.33Å; M367-L371 HydrophobicContact CE-CD1 3.93Å; M367-L371 HydrophobicContact CE-CD2 3.99Å; M367-L371 HydrophobicContact CE-CG 3.88Å; M367-L371 VanDerWaalsContact O-CB 3.25Å; M367-L371 WeakPolarHBondContact O-CB 3.48Å; M367-L371 WeakPolarHBondContact O-CD1 3.42Å; M367-L371 WeakPolarHBondContact O-CG 3.36Å; M367-L371 PolarHBondContact O-N 3.43Å
372T98.3Very high98.6Very high37 Ų3718.7 Ų18.723%0.22710%0.095CC..Hα-helixtrans-101.6-4.1-179.869.70000112.8G199 W200 V368 Y370 S374G199-T372 WeakPolarHBondContact O-CB 3.37Å; G199-T372 VanDerWaalsContact O-CG2 3.28Å; G199-T372 WeakPolarHBondContact O-CG2 3.28Å; G199-T372 PolarHBondContact O-OG1 2.87Å; W200-T372 VanDerWaalsContact CD1-CG2 3.48Å; W200-T372 HydrophobicContact CD2-CG2 4.38Å; W200-T372 HydrophobicContact CG-CG2 4.05Å; V368-T372 WeakPolarHBondContact O-CG2 3.34Å; V368-T372 PolarHBondContact O-N 3.17Å; V368-T372 PolarHBondContact O-OG1 2.93Å; Y370-T372 VanDerWaalsContact C-N 3.29Å; Y370-T372 PolarHBondContact O-N 3.22Å; T372-S374 PolarHBondContact O-N 2.79Å; T372-S374 VanDerWaalsContact OG1-CB 3.25Å; T372-S374 WeakPolarHBondContact OG1-CB 3.36Å; T372-S374 PolarHBondContact OG1-OG 2.71Å; T372-S374 VanDerWaalsContact OG1-OG 3.05Å
373N97.9Very high98.6Very high90 Ų9021.5 Ų21.548%0.48111%0.109SC..THydrogen-bonded Turntrans49.838.6-175.3-17019.4000112.7T324 Y369 Y370T324-N373 WeakPolarHBondContact CB-OD1 3.47Å; T324-N373 WeakPolarHBondContact CG2-OD1 3.39Å; T324-N373 PolarHBondContact OG1-OD1 3.49Å; Y369-N373 WeakPolarHBondContact O-CA 3.3Å; Y369-N373 PolarHBondContact O-N 2.73Å; Y369-N373 VanDerWaalsContact O-N 3.12Å; Y370-N373 PolarHBondContact O-N 2.86Å
374S98.5Very high98.6Very high4 Ų422.7 Ų22.73%0.02812%0.115CC..  trans-92.74.4-169.469.80000114.4G199 Y369 T372 T376 T377 A378G199-S374 PolarHBondContact N-OG 3.41Å; Y369-S374 PolarHBondContact O-N 3.42Å; T372-S374 PolarHBondContact O-N 2.79Å; T372-S374 VanDerWaalsContact OG1-CB 3.25Å; T372-S374 WeakPolarHBondContact OG1-CB 3.36Å; T372-S374 PolarHBondContact OG1-OG 2.71Å; T372-S374 VanDerWaalsContact OG1-OG 3.05Å; S374-T376 PolarHBondContact O-N 2.77Å; S374-T377 WeakPolarHBondContact CA-OG1 3.44Å; S374-T377 PolarHBondContact O-N 3.33Å; S374-T377 PolarHBondContact O-OG1 3.48Å; S374-T377 VanDerWaalsContact O-OG1 3.05Å; S374-A378 WeakPolarHBondContact O-CB 3.35Å; S374-A378 PolarHBondContact O-N 3.12Å
375A98.3Very high98.6Very high8 Ų823.3 Ų23.37%0.06612%0.118CC..Hα-helixtrans-59.9-43.5-178.200000112.5L323 L330 Y369 A379L323-A375 HydrophobicContact CB-CB 4.35Å; L323-A375 HydrophobicContact CD1-CB 4.45Å; L330-A375 HydrophobicContact CD1-CB 3.86Å; Y369-A375 HydrophobicContact CD1-CB 4.42Å; A375-A379 WeakPolarHBondContact O-CB 3.19Å; A375-A379 PolarHBondContact O-N 3.02Å
376T98.6Very high98.5Very high22 Ų2225.7 Ų25.714%0.13513%0.133CC..Hα-helixtrans-67.4-45.7178.9-58.50000111.8G320 S374 A379 R380G320-T376 VanDerWaalsContact C-OG1 3.24Å; G320-T376 WeakPolarHBondContact CA-OG1 3.49Å; G320-T376 PolarHBondContact O-OG1 2.88Å; S374-T376 PolarHBondContact O-N 2.77Å; T376-A379 PolarHBondContact O-N 3.37Å; T376-R380 WeakPolarHBondContact O-CG 3.23Å; T376-R380 PolarHBondContact O-N 3.1Å; T376-R380 VanDerWaalsContact O-N 3.07Å
377T98.7Very high98.4Very high33 Ų3326.8 Ų26.820%0.20214%0.14CC..Hα-helixtrans-69.2-36.2-177.647.30000111.9G197 A203 S374 R380G197-T377 CarbonylContact O-C 3.53Å; G197-T377 VanDerWaalsContact O-CB 3.32Å; G197-T377 WeakPolarHBondContact O-CB 3.41Å; G197-T377 PolarHBondContact O-OG1 3.2Å; A203-T377 HydrophobicContact CB-CG2 3.44Å; A203-T377 VanDerWaalsContact CB-CG2 3.44Å; S374-T377 WeakPolarHBondContact CA-OG1 3.44Å; S374-T377 PolarHBondContact O-N 3.33Å; S374-T377 PolarHBondContact O-OG1 3.48Å; S374-T377 VanDerWaalsContact O-OG1 3.05Å; T377-R380 PolarHBondContact O-N 3.01Å
378A98.6Very high98.2Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-61.7-47.2169.900000111.7G197 Y198 Y369 S374 R380 F381G197-A378 PolarHBondContact O-N 2.99Å; Y198-A378 HydrophobicContact CD1-CB 3.74Å; Y198-A378 HydrophobicContact CD2-CB 4.09Å; Y198-A378 HydrophobicContact CE1-CB 3.42Å; Y198-A378 VanDerWaalsContact CE1-CB 3.42Å; Y198-A378 HydrophobicContact CE2-CB 3.78Å; Y198-A378 HydrophobicContact CG-CB 4.06Å; Y198-A378 VanDerWaalsContact CZ-CB 3.42Å; Y198-A378 PolarHBondContact OH-O 3Å; Y369-A378 HydrophobicContact CE1-CB 4.06Å; S374-A378 WeakPolarHBondContact O-CB 3.35Å; S374-A378 PolarHBondContact O-N 3.12Å; A378-R380 VanDerWaalsContact C-N 3.28Å; A378-R380 PolarHBondContact O-N 3.23Å; A378-F381 VanDerWaalsContact O-CB 3.26Å; A378-F381 WeakPolarHBondContact O-CB 3.29Å; A378-F381 PolarHBondContact O-N 2.71Å; A378-F381 VanDerWaalsContact O-N 3.09Å
379A98.6Very high98Very high4 Ų437.3 Ų37.33%0.03319%0.194CC..Hα-helixtrans-60.5-34.6178.700000112.9Q312 P316 A375 T376 F381 Y382Q312-A379 HydrophobicContact CB-CB 4.09Å; Q312-A379 HydrophobicContact CG-CB 3.82Å; P316-A379 HydrophobicContact CB-CB 3.69Å; A375-A379 WeakPolarHBondContact O-CB 3.19Å; A375-A379 PolarHBondContact O-N 3.02Å; T376-A379 PolarHBondContact O-N 3.37Å; A379-F381 PolarHBondContact O-N 2.68Å; A379-Y382 WeakPolarHBondContact O-CB 3.34Å; A379-Y382 PolarHBondContact O-N 2.9Å; A379-Y382 VanDerWaalsContact O-N 3.08Å
380R98.8Very high97.8Very high97 Ų9738.9 Ų38.937%0.36620%0.2SC..Hα-helixtrans-58.5-30.1176.7-73.7173.4-179.5162.30.4112.8P316 D317 T376 T377 A378 Y382 L383 E384P316-R380 HydrophobicContact CB-CG 4.04Å; P316-R380 HydrophobicContact CG-CB 4.48Å; P316-R380 HydrophobicContact CG-CG 3.91Å; D317-R380 IonicContact OD1-CZ 3.43Å; D317-R380 IonicContact OD1-NE 3.88Å; D317-R380 IonicContact OD1-NH2 2.85Å; D317-R380 PolarHBondContact OD1-NH2 3.34Å; D317-R380 IonicContact OD2-CZ 2.85Å; D317-R380 IonicContact OD2-NE 4Å; D317-R380 PolarHBondContact OD2-NE 3.46Å; D317-R380 IonicContact OD2-NH2 3.09Å; T376-R380 WeakPolarHBondContact O-CG 3.23Å; T376-R380 PolarHBondContact O-N 3.1Å; T376-R380 VanDerWaalsContact O-N 3.07Å; T377-R380 PolarHBondContact O-N 3.01Å; A378-R380 VanDerWaalsContact C-N 3.28Å; A378-R380 PolarHBondContact O-N 3.23Å; R380-Y382 PolarHBondContact O-N 2.79Å; R380-L383 PolarHBondContact O-N 3.47Å; R380-L383 VanDerWaalsContact O-N 3.13Å; R380-E384 WeakPolarHBondContact O-CG 3.41Å; R380-E384 PolarHBondContact O-N 3.04Å; R380-E384 VanDerWaalsContact O-N 3.12Å
381F98.8Very high97.7Very high6 Ų644.2 Ų44.23%0.02622%0.22CC..Hα-helixtrans-61.1-32.5177.7-165.7-119.5000112.3Y198 F209 A211 M214 W237 I241 A378 A379 E384 N385Y198-F381 HydrophobicContact CE2-CB 4.26Å; F209-F381 HydrophobicContact CD1-CD2 4.43Å; F209-F381 HydrophobicContact CD1-CE2 4.33Å; A211-F381 HydrophobicContact CB-CZ 3.88Å; M214-F381 HydrophobicContact CB-CE2 4.08Å; M214-F381 HydrophobicContact CB-CZ 4.04Å; M214-F381 HydrophobicContact CE-CD2 4.08Å; M214-F381 HydrophobicContact CE-CE1 4.46Å; M214-F381 HydrophobicContact CE-CE2 3.65Å; M214-F381 HydrophobicContact CE-CZ 3.85Å; M214-F381 HydrophobicContact CG-CZ 4.34Å; W237-F381 HydrophobicContact CB-CE1 4.11Å; W237-F381 AromaticContact CD2-CD1 3.69Å; W237-F381 HydrophobicContact CD2-CD1 3.69Å; W237-F381 AromaticContact CD2-CE1 3.57Å; W237-F381 HydrophobicContact CD2-CE1 3.57Å; W237-F381 AromaticContact CE2-CD1 3.87Å; W237-F381 HydrophobicContact CE3-CD1 4.07Å; W237-F381 AromaticContact CE3-CE1 3.61Å; W237-F381 HydrophobicContact CE3-CE1 3.61Å; W237-F381 AromaticContact CG-CD1 3.94Å; W237-F381 HydrophobicContact CG-CD1 3.94Å; W237-F381 AromaticContact CG-CE1 3.79Å; W237-F381 HydrophobicContact CG-CE1 3.79Å; W237-F381 HydrophobicContact CZ2-CD1 4.39Å; W237-F381 HydrophobicContact CZ3-CE1 4.3Å; I241-F381 HydrophobicContact CD1-CE1 4.35Å; I241-F381 HydrophobicContact CD1-CZ 4.23Å; I241-F381 HydrophobicContact CG1-CZ 4.31Å; A378-F381 VanDerWaalsContact O-CB 3.26Å; A378-F381 WeakPolarHBondContact O-CB 3.29Å; A378-F381 PolarHBondContact O-N 2.71Å; A378-F381 VanDerWaalsContact O-N 3.09Å; A379-F381 PolarHBondContact O-N 2.68Å; F381-E384 PolarHBondContact O-N 3.22Å; F381-N385 WeakPolarHBondContact CD1-ND2 3.01Å; F381-N385 WeakPolarHBondContact CD2-ND2 3.48Å; F381-N385 VanDerWaalsContact CE1-ND2 3.32Å; F381-N385 WeakPolarHBondContact CE1-ND2 3.3Å; F381-N385 WeakPolarHBondContact CE2-ND2 3.41Å; F381-N385 VanDerWaalsContact CZ-ND2 3.31Å; F381-N385 WeakPolarHBondContact CZ-ND2 3.44Å; F381-N385 WeakPolarHBondContact O-CB 3.4Å; F381-N385 PolarHBondContact O-N 2.84Å; F381-N385 VanDerWaalsContact O-N 3.11Å; F381-N385 PolarHBondContact O-ND2 3.14Å
382Y98.8Very high97.5Very high1 Ų146.2 Ų46.20%0.00423%0.231CC..Hα-helixtrans-61.9-46.7174.1-73.8-103.2000111.8W163 W237 Y308 F309 Q312 A379 R380 E384 N385 V386W163-Y382 HydrophobicContact CB-CE2 4.07Å; W163-Y382 VanDerWaalsContact CB-OH 3.23Å; W163-Y382 WeakPolarHBondContact CB-OH 3.27Å; W163-Y382 HydrophobicContact CD2-CE2 4.03Å; W163-Y382 AromaticContact CD2-CZ 3.93Å; W163-Y382 VanDerWaalsContact CD2-OH 3.23Å; W163-Y382 AromaticContact CE3-CZ 3.95Å; W163-Y382 AromaticContact CG-CE2 3.81Å; W163-Y382 HydrophobicContact CG-CE2 3.81Å; W237-Y382 AromaticContact CE2-CZ 3.82Å; W237-Y382 AromaticContact CZ2-CD1 3.6Å; W237-Y382 HydrophobicContact CZ2-CD1 3.6Å; W237-Y382 HydrophobicContact CZ2-CD2 4.09Å; W237-Y382 AromaticContact CZ2-CE1 3.58Å; W237-Y382 HydrophobicContact CZ2-CE1 3.58Å; W237-Y382 HydrophobicContact CZ2-CE2 4.09Å; W237-Y382 AromaticContact CZ2-CG 3.83Å; W237-Y382 HydrophobicContact CZ2-CG 3.83Å; W237-Y382 AromaticContact CZ2-CZ 3.82Å; W237-Y382 AromaticContact NE1-CE1 3.9Å; W237-Y382 AromaticContact NE1-CE2 3.34Å; W237-Y382 VanDerWaalsContact NE1-CE2 3.34Å; W237-Y382 AromaticContact NE1-CZ 3.22Å; W237-Y382 PolarHBondContact NE1-OH 2.89Å; W237-Y382 VanDerWaalsContact NE1-OH 3.16Å; Y308-Y382 HydrophobicContact CD2-CE1 4.45Å; Y308-Y382 AromaticContact CE2-CE1 3.62Å; Y308-Y382 HydrophobicContact CE2-CE1 3.62Å; Y308-Y382 AromaticContact CE2-CZ 3.79Å; F309-Y382 HydrophobicContact CB-CD1 4.49Å; F309-Y382 AromaticContact CD2-CD1 3.45Å; F309-Y382 HydrophobicContact CD2-CD1 3.45Å; F309-Y382 VanDerWaalsContact CD2-CD1 3.45Å; F309-Y382 AromaticContact CD2-CE1 3.49Å; F309-Y382 HydrophobicContact CD2-CE1 3.49Å; F309-Y382 VanDerWaalsContact CD2-CE1 3.49Å; F309-Y382 AromaticContact CE2-CD1 3.68Å; F309-Y382 HydrophobicContact CE2-CD1 3.68Å; F309-Y382 AromaticContact CE2-CE1 3.97Å; F309-Y382 HydrophobicContact CE2-CE1 3.97Å; F309-Y382 HydrophobicContact CG-CD1 4Å; F309-Y382 HydrophobicContact CG-CE1 4.25Å; F309-Y382 HydrophobicContact CZ-CD1 4.43Å; Q312-Y382 HydrophobicContact CB-CD1 4.33Å; Q312-Y382 HydrophobicContact CB-CD2 4.03Å; Q312-Y382 HydrophobicContact CB-CG 3.79Å; A379-Y382 WeakPolarHBondContact O-CB 3.34Å; A379-Y382 PolarHBondContact O-N 2.9Å; A379-Y382 VanDerWaalsContact O-N 3.08Å; R380-Y382 PolarHBondContact O-N 2.79Å; Y382-E384 VanDerWaalsContact C-N 3.35Å; Y382-E384 PolarHBondContact O-N 2.74Å; Y382-N385 PolarHBondContact O-N 2.73Å; Y382-V386 PolarHBondContact O-N 3.41Å
383L98.6Very high97.4Very high58 Ų5845.9 Ų45.930%0.30423%0.227SC..Hα-helixtrans-61.9-45.4179.9-175.6157000110.8A313 P316 R380 N385 V386 S387A313-L383 WeakPolarHBondContact O-CA 3.35Å; P316-L383 HydrophobicContact CG-CB 4.17Å; P316-L383 HydrophobicContact CG-CD1 3.91Å; R380-L383 PolarHBondContact O-N 3.47Å; R380-L383 VanDerWaalsContact O-N 3.13Å; L383-N385 PolarHBondContact O-N 2.94Å; L383-V386 VanDerWaalsContact O-CG2 3.3Å; L383-V386 WeakPolarHBondContact O-CG2 3.31Å; L383-V386 PolarHBondContact O-N 3.4Å; L383-V386 VanDerWaalsContact O-N 3.16Å; L383-S387 PolarHBondContact O-N 3.27Å; L383-S387 VanDerWaalsContact O-N 3.11Å
384E98.6Very high97.2Very high28 Ų2845.4 Ų45.413%0.13122%0.222CC..Hα-helixtrans-62.2-32.8179.6-65-62169.200112.2P207 G208 F209 N210 R380 F381 Y382 S387P207-E384 WeakPolarHBondContact CA-OE1 3.41Å; G208-E384 WeakPolarHBondContact CA-OE2 3.35Å; G208-E384 PolarHBondContact N-OE1 2.88Å; G208-E384 VanDerWaalsContact N-OE1 3.14Å; G208-E384 PolarHBondContact N-OE2 2.95Å; F209-E384 VanDerWaalsContact O-CB 3.27Å; F209-E384 WeakPolarHBondContact O-CB 3.49Å; N210-E384 HydrophobicContact CB-CB 4.26Å; R380-E384 WeakPolarHBondContact O-CG 3.41Å; R380-E384 PolarHBondContact O-N 3.04Å; R380-E384 VanDerWaalsContact O-N 3.12Å; F381-E384 PolarHBondContact O-N 3.22Å; Y382-E384 VanDerWaalsContact C-N 3.35Å; Y382-E384 PolarHBondContact O-N 2.74Å; E384-S387 VanDerWaalsContact O-CB 3.24Å; E384-S387 WeakPolarHBondContact O-CB 3.29Å; E384-S387 PolarHBondContact O-N 2.72Å; E384-S387 PolarHBondContact O-OG 3.01Å
385N98.2Very high97.2Very high12 Ų1245.5 Ų45.56%0.06422%0.223CC..Hα-helixtrans-83.6-6.7178.3-76.8-70.1000115.1A211 W237 F381 Y382 L383 Y390A211-N385 WeakPolarHBondContact CB-OD1 3.5Å; A211-N385 PolarHBondContact N-OD1 3.14Å; W237-N385 HydrophobicContact CH2-CB 3.69Å; W237-N385 HydrophobicContact CZ3-CB 3.8Å; F381-N385 WeakPolarHBondContact CD1-ND2 3.01Å; F381-N385 WeakPolarHBondContact CD2-ND2 3.48Å; F381-N385 VanDerWaalsContact CE1-ND2 3.32Å; F381-N385 WeakPolarHBondContact CE1-ND2 3.3Å; F381-N385 WeakPolarHBondContact CE2-ND2 3.41Å; F381-N385 VanDerWaalsContact CZ-ND2 3.31Å; F381-N385 WeakPolarHBondContact CZ-ND2 3.44Å; F381-N385 WeakPolarHBondContact O-CB 3.4Å; F381-N385 PolarHBondContact O-N 2.84Å; F381-N385 VanDerWaalsContact O-N 3.11Å; F381-N385 PolarHBondContact O-ND2 3.14Å; Y382-N385 PolarHBondContact O-N 2.73Å; L383-N385 PolarHBondContact O-N 2.94Å; N385-Y390 HydrophobicContact CB-CD1 4.35Å; N385-Y390 HydrophobicContact CB-CE1 4.41Å; N385-Y390 WeakPolarHBondContact O-CD1 3.46Å
386V97.3Very high97.1Very high52 Ų5247.2 Ų47.232%0.31523%0.231SC..Hα-helixtrans-105.1-2.7166-58.60000112.8F309 A313 Y382 L383 R391F309-V386 HydrophobicContact CE1-CG1 3.89Å; F309-V386 HydrophobicContact CZ-CG1 3.88Å; A313-V386 HydrophobicContact CB-CG1 4.07Å; A313-V386 HydrophobicContact CB-CG2 3.85Å; A313-V386 WeakPolarHBondContact O-CG2 3.23Å; Y382-V386 PolarHBondContact O-N 3.41Å; L383-V386 VanDerWaalsContact O-CG2 3.3Å; L383-V386 WeakPolarHBondContact O-CG2 3.31Å; L383-V386 PolarHBondContact O-N 3.4Å; L383-V386 VanDerWaalsContact O-N 3.16Å; V386-R391 PolarHBondContact O-NE 2.83Å
387S96.4Very high97Very high23 Ų2347.9 Ų47.916%0.16123%0.231CC..SBendtrans-57.6153.7179.276.20000111.8L383 E384 T389 Y390 R391L383-S387 PolarHBondContact O-N 3.27Å; L383-S387 VanDerWaalsContact O-N 3.11Å; E384-S387 VanDerWaalsContact O-CB 3.24Å; E384-S387 WeakPolarHBondContact O-CB 3.29Å; E384-S387 PolarHBondContact O-N 2.72Å; E384-S387 PolarHBondContact O-OG 3.01Å; S387-T389 VanDerWaalsContact C-N 3.26Å; S387-T389 PolarHBondContact O-N 3.31Å; S387-Y390 PolarHBondContact O-N 2.84Å; S387-Y390 PolarHBondContact OG-N 3.46Å; S387-R391 WeakPolarHBondContact O-CG 3.25Å; S387-R391 PolarHBondContact O-N 3.15Å
388K95.4Very high96.9Very high130 Ų13046.5 Ų46.557%0.56522%0.222SC*.Hα-helixtrans-59.4-41.9174.4-173.6-177-176.6-59.60111Y390 R391 D392K388-Y390 VanDerWaalsContact C-N 3.33Å; K388-Y390 PolarHBondContact O-N 3.39Å; K388-R391 PolarHBondContact O-N 3.03Å; K388-D392 IonicContact NZ-OD1 2.68Å; K388-D392 PolarHBondContact NZ-OD1 3.41Å; K388-D392 IonicContact NZ-OD2 2.71Å; K388-D392 PolarHBondContact NZ-OD2 3.3Å; K388-D392 WeakPolarHBondContact O-CB 3.37Å; K388-D392 PolarHBondContact O-N 3.15Å
389T93Very high96.9Very high93 Ų9350.6 Ų50.657%0.57124%0.241SC*.Hα-helixtrans-54.8-47.4-179.8-520000111.9S387S387-T389 VanDerWaalsContact C-N 3.26Å; S387-T389 PolarHBondContact O-N 3.31Å
390Y96.1Very high96.9Very high35 Ų3550.4 Ų50.414%0.13724%0.24CC..Hα-helixtrans-71.5-44.9177.6-178.5-112.2000112.5N210 A211 A212 I240 N244 N385 S387 K388 D392 L393 L395N210-Y390 HydrophobicContact CB-CD2 3.75Å; N210-Y390 HydrophobicContact CB-CG 3.93Å; N210-Y390 VanDerWaalsContact OD1-CD2 3.25Å; N210-Y390 WeakPolarHBondContact OD1-CD2 3.47Å; A211-Y390 HydrophobicContact CB-CE2 4.08Å; A212-Y390 HydrophobicContact CB-CD2 4.49Å; A212-Y390 HydrophobicContact CB-CE2 4.29Å; I240-Y390 WeakPolarHBondContact CG2-OH 3.27Å; N244-Y390 PolarHBondContact ND2-OH 3.21Å; N385-Y390 HydrophobicContact CB-CD1 4.35Å; N385-Y390 HydrophobicContact CB-CE1 4.41Å; N385-Y390 WeakPolarHBondContact O-CD1 3.46Å; S387-Y390 PolarHBondContact O-N 2.84Å; S387-Y390 PolarHBondContact OG-N 3.46Å; K388-Y390 VanDerWaalsContact C-N 3.33Å; K388-Y390 PolarHBondContact O-N 3.39Å; Y390-D392 VanDerWaalsContact C-N 3.26Å; Y390-D392 PolarHBondContact O-N 2.98Å; Y390-L393 HydrophobicContact CD2-CD1 4.05Å; Y390-L393 WeakPolarHBondContact O-CB 3.5Å; Y390-L393 PolarHBondContact O-N 3.22Å; Y390-L393 VanDerWaalsContact O-N 3.09Å; Y390-L395 HydrophobicContact CE2-CD1 4.36Å
391R95Very high96.8Very high152 Ų15249.9 Ų49.957%0.57425%0.249SC*.Hα-helixtrans-61-33.9-179.3-72.4-172.1-66.1118.5-2.2113.1V386 S387 K388 L393 Q394V386-R391 PolarHBondContact O-NE 2.83Å; S387-R391 WeakPolarHBondContact O-CG 3.25Å; S387-R391 PolarHBondContact O-N 3.15Å; K388-R391 PolarHBondContact O-N 3.03Å; R391-L393 PolarHBondContact O-N 3.18Å; R391-Q394 WeakPolarHBondContact O-CG 3.32Å; R391-Q394 PolarHBondContact O-N 3.18Å
392D95Very high96.8Very high86 Ų8649.8 Ų49.846%0.4625%0.249SC..Hα-helixtrans-66.5-23.9178.5-73.5-13.6000112.9K388 Y390 Q394K388-D392 IonicContact NZ-OD1 2.68Å; K388-D392 PolarHBondContact NZ-OD1 3.41Å; K388-D392 IonicContact NZ-OD2 2.71Å; K388-D392 PolarHBondContact NZ-OD2 3.3Å; K388-D392 WeakPolarHBondContact O-CB 3.37Å; K388-D392 PolarHBondContact O-N 3.15Å; Y390-D392 VanDerWaalsContact C-N 3.26Å; Y390-D392 PolarHBondContact O-N 2.98Å; D392-Q394 PolarHBondContact O-N 2.94Å
393L95.7Very high96.7Very high29 Ų2950.8 Ų50.815%0.15226%0.256CS..THydrogen-bonded Turntrans-65.5-26176-60.7175.6000112.5P35 F37 A212 Y390 R391 L395P35-L393 HydrophobicContact CB-CD2 4.39Å; P35-L393 HydrophobicContact CG-CD2 4.34Å; F37-L393 HydrophobicContact CD2-CD1 4.23Å; F37-L393 HydrophobicContact CD2-CD2 4.17Å; F37-L393 HydrophobicContact CE2-CD1 4.05Å; A212-L393 HydrophobicContact CB-CD1 3.73Å; Y390-L393 HydrophobicContact CD2-CD1 4.05Å; Y390-L393 WeakPolarHBondContact O-CB 3.5Å; Y390-L393 PolarHBondContact O-N 3.22Å; Y390-L393 VanDerWaalsContact O-N 3.09Å; R391-L393 PolarHBondContact O-N 3.18Å; L393-L395 HydrophobicContact CB-CD1 4.42Å; L393-L395 HydrophobicContact CB-CD2 4.35Å; L393-L395 HydrophobicContact CB-CG 3.89Å; L393-L395 HydrophobicContact CD1-CD1 4.26Å; L393-L395 PolarHBondContact O-N 3.41Å; L393-L395 VanDerWaalsContact O-N 3.08Å
394Q95.4Very high96.7Very high81 Ų8148.1 Ų48.138%0.37924%0.242SC..  trans47.938178.5-64.6-177.668.400114.1L32 R391 D392 D396 R397L32-Q394 HydrophobicContact CD1-CB 3.69Å; L32-Q394 HydrophobicContact CD1-CG 4.28Å; R391-Q394 WeakPolarHBondContact O-CG 3.32Å; R391-Q394 PolarHBondContact O-N 3.18Å; D392-Q394 PolarHBondContact O-N 2.94Å; Q394-D396 PolarHBondContact O-N 3.05Å; Q394-R397 WeakPolarHBondContact O-CB 3.36Å; Q394-R397 PolarHBondContact O-N 2.96Å
395L96.9Very high96.7Very high6 Ų646.8 Ų46.83%0.03124%0.235CC..G310 helixtrans-60.2-21.3-174-65.9177.1000114.1P35 A212 N244 T247 L248 Y390 L393 R397 V398 K424P35-L395 HydrophobicContact CG-CD2 3.78Å; A212-L395 HydrophobicContact CB-CD1 3.95Å; N244-L395 HydrophobicContact CB-CD1 4.14Å; N244-L395 VanDerWaalsContact CG-CD1 3.5Å; N244-L395 WeakPolarHBondContact OD1-CD1 3.45Å; T247-L395 HydrophobicContact CG2-CD2 4.34Å; L248-L395 HydrophobicContact CD1-CD1 4.38Å; L248-L395 HydrophobicContact CD2-CD2 3.96Å; L248-L395 HydrophobicContact CG-CD2 4.42Å; Y390-L395 HydrophobicContact CE2-CD1 4.36Å; L393-L395 HydrophobicContact CB-CD1 4.42Å; L393-L395 HydrophobicContact CB-CD2 4.35Å; L393-L395 HydrophobicContact CB-CG 3.89Å; L393-L395 HydrophobicContact CD1-CD1 4.26Å; L393-L395 PolarHBondContact O-N 3.41Å; L393-L395 VanDerWaalsContact O-N 3.08Å; L395-R397 VanDerWaalsContact C-N 3.26Å; L395-R397 PolarHBondContact O-N 3.02Å; L395-V398 PolarHBondContact O-N 2.91Å; L395-K424 PolarHBondContact O-NZ 2.92Å
396D96.7Very high96.7Very high44 Ų4446.2 Ų46.224%0.23523%0.232CC..G310 helixtrans-70.5-20.5172.8-86.20.2000114.3L263 H264 T265 Q394 K424L263-D396 HydrophobicContact CD1-CB 3.87Å; H264-D396 PolarHBondContact N-OD2 2.86Å; H264-D396 VanDerWaalsContact N-OD2 3.13Å; T265-D396 HydrophobicContact CG2-CB 3.78Å; T265-D396 VanDerWaalsContact CG2-O 3.29Å; T265-D396 WeakPolarHBondContact CG2-O 3.36Å; Q394-D396 PolarHBondContact O-N 3.05Å; D396-K424 IonicContact OD1-NZ 2.71Å; D396-K424 PolarHBondContact OD1-NZ 2.95Å
397R96.4Very high96.8Very high36 Ų3643.8 Ų43.814%0.13622%0.217CC..G310 helixtrans-95.1-6.8175-62.3179.460.6-172.12.4112.8D27 L28 K30 P31 L32 T265 Q394 L395D27-R397 PolarHBondContact O-NH2 2.81Å; L28-R397 PolarHBondContact O-NH2 2.82Å; K30-R397 PolarHBondContact O-NH2 3.46Å; P31-R397 CarbonylContact C-O 3.57Å; P31-R397 VanDerWaalsContact CA-O 3.28Å; P31-R397 WeakPolarHBondContact CA-O 3.32Å; L32-R397 HydrophobicContact CB-CB 4.35Å; L32-R397 HydrophobicContact CD1-CB 4.02Å; L32-R397 HydrophobicContact CG-CB 3.98Å; L32-R397 PolarHBondContact N-O 3.42Å; T265-R397 HydrophobicContact CG2-CG 3.79Å; Q394-R397 WeakPolarHBondContact O-CB 3.36Å; Q394-R397 PolarHBondContact O-N 2.96Å; L395-R397 VanDerWaalsContact C-N 3.26Å; L395-R397 PolarHBondContact O-N 3.02Å
398V97.7Very high96.8Very high4 Ų442.8 Ų42.82%0.02421%0.21CC..BIsolated β-bridgetrans-89125.8175.8-176.10000108.1L32 P33 K34 T247 L395L32-V398 HydrophobicContact CB-CG2 4.25Å; P33-V398 WeakPolarHBondContact O-CG2 3.37Å; K34-V398 HydrophobicContact CB-CG1 4.3Å; T247-V398 HydrophobicContact CG2-CB 3.77Å; T247-V398 HydrophobicContact CG2-CG1 3.54Å; L395-V398 PolarHBondContact O-N 2.91Å
399Q97.8Very high96.9Very high85 Ų8536.9 Ų36.940%0.39719%0.185SC..PPolyproline II helixtrans-74.6132.6179.2-78.2-179-31.600111.3P31 D423 K424 P426P31-Q399 HydrophobicContact CB-CG 4.11Å; P31-Q399 HydrophobicContact CG-CG 4.35Å; Q399-D423 WeakPolarHBondContact CG-O 3.32Å; Q399-D423 PolarHBondContact NE2-O 2.85Å; Q399-K424 CarbonylContact C-O 3.58Å; Q399-K424 WeakPolarHBondContact CA-O 3.46Å; Q399-P426 HydrophobicContact CB-CG 4.31Å; Q399-P426 HydrophobicContact CG-CG 4.12Å
400S97.8Very high97Very high1 Ų135 Ų351%0.00717%0.167CC..PPolyproline II helixtrans-96.3128.7169.7176.50000110.5A246 V402 K424 P426A246-S400 PolarHBondContact O-OG 3.38Å; S400-V402 VanDerWaalsContact C-N 3.27Å; S400-V402 PolarHBondContact O-N 3.46Å; S400-V402 PolarHBondContact OG-N 3.2Å; S400-K424 PolarHBondContact N-O 3.23Å; S400-P426 WeakPolarHBondContact O-CD 3.35Å
401P96.9Very high96.8Very high85 Ų8536.5 Ų36.555%0.55217%0.174SC*.  trans-80-9.1177.533.8-36.2000113.4P250 N427P250-P401 HydrophobicContact CB-CG 3.7Å; P250-P401 HydrophobicContact CG-CG 4.22Å; P401-N427 PolarHBondContact O-ND2 2.83Å
402V98.1Very high96.8Very high5 Ų530.4 Ų30.43%0.0315%0.153CC..SBendtrans-67.5140.2-173.6176.20000110.4A246 P250 V253 S400 M404A246-V402 HydrophobicContact CB-CB 4.16Å; A246-V402 HydrophobicContact CB-CG1 4.35Å; A246-V402 HydrophobicContact CB-CG2 4.09Å; A246-V402 WeakPolarHBondContact O-CG2 3.45Å; P250-V402 HydrophobicContact CB-CG2 3.74Å; V253-V402 HydrophobicContact CB-CG1 4.01Å; V253-V402 HydrophobicContact CB-CG2 4.02Å; V253-V402 HydrophobicContact CG1-CG1 3.55Å; V253-V402 HydrophobicContact CG1-CG2 4.42Å; S400-V402 VanDerWaalsContact C-N 3.27Å; S400-V402 PolarHBondContact O-N 3.46Å; S400-V402 PolarHBondContact OG-N 3.2Å; V402-M404 PolarHBondContact O-N 3.42Å
403P98.4Very high96.4Very high22 Ų2229.8 Ų29.814%0.14315%0.15CC..  trans-54.8126169.9-2231.2000111.5G255 Y256 N427 T429 F456 I460G255-P403 WeakPolarHBondContact CA-O 3.37Å; Y256-P403 PolarHBondContact N-O 2.94Å; P403-N427 WeakPolarHBondContact CA-O 3.46Å; P403-N427 WeakPolarHBondContact CG-ND2 3.38Å; P403-T429 HydrophobicContact CB-CG2 4.12Å; P403-F456 HydrophobicContact CB-CE2 4.39Å; P403-F456 WeakPolarHBondContact O-CZ 3.35Å; P403-I460 HydrophobicContact CB-CD1 4.08Å; P403-I460 HydrophobicContact CB-CG1 3.9Å; P403-I460 HydrophobicContact CG-CG1 4.4Å; P403-I460 HydrophobicContact CG-CG2 4.33Å
404M98.4Very high96.1Very high2 Ų230.5 Ų30.51%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-112.4134.6-177.7176.754.8-177.800111.6Y256 S258 V402 C406 L421 F425 N427 L428 T429 H430 F456Y256-M404 HydrophobicContact CD1-CE 3.9Å; Y256-M404 HydrophobicContact CD1-SD 3.12Å; Y256-M404 WeakPolarHBondContact CD1-SD 3.29Å; Y256-M404 HydrophobicContact CE1-CE 3.52Å; Y256-M404 HydrophobicContact CE1-SD 3.44Å; Y256-M404 WeakPolarHBondContact CE1-SD 3.29Å; Y256-M404 HydrophobicContact CG-SD 3.75Å; Y256-M404 CarbonylContact O-C 3.36Å; Y256-M404 WeakPolarHBondContact O-CA 3.38Å; S258-M404 VanDerWaalsContact CB-CE 3.47Å; V402-M404 PolarHBondContact O-N 3.42Å; M404-C406 HydrophobicContact CE-CB 4.47Å; M404-L421 HydrophobicContact CE-CD2 4.46Å; M404-F425 HydrophobicContact CB-CB 3.8Å; M404-F425 HydrophobicContact CB-CD1 3.92Å; M404-F425 HydrophobicContact CB-CG 3.87Å; M404-F425 HydrophobicContact CG-CB 4.08Å; M404-F425 HydrophobicContact CG-CD1 4.13Å; M404-F425 HydrophobicContact CG-CD2 4.09Å; M404-F425 HydrophobicContact CG-CG 3.84Å; M404-N427 PolarHBondContact N-O 2.86Å; M404-L428 HydrophobicContact CB-CD1 4.14Å; M404-L428 HydrophobicContact CG-CD1 3.77Å; M404-T429 PolarHBondContact O-N 2.95Å; M404-T429 PolarHBondContact O-OG1 3.2Å; M404-T429 VanDerWaalsContact O-OG1 3.1Å; M404-H430 PolarHBondContact O-N 3.31Å; M404-F456 VanDerWaalsContact C-CE2 3.41Å
405G98.6Very high95.9Very high0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-118135.2170.700000111.2Y256 H257 S258 H430 F456Y256-G405 PolarHBondContact O-N 3.46Å; H257-G405 CarbonylContact C-O 3.59Å; H257-G405 WeakPolarHBondContact CA-O 3.25Å; S258-G405 PolarHBondContact N-O 3.48Å; G405-H430 CarbonylContact C-O 3.59Å; G405-H430 WeakPolarHBondContact CA-O 3.24Å; G405-F456 VanDerWaalsContact N-CE2 3.26Å
406C98.3Very high95.8Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-126.6120.4179.7175.50000111.8S258 C261 M404 R408 L428 H430 S431 M432S258-C406 WeakPolarHBondContact O-CA 3.33Å; C261-C406 HydrophobicContact CB-CB 4.14Å; C261-C406 WeakPolarHBondContact CB-SG 3.38Å; C261-C406 VanDerWaalsContact SG-CA 3.5Å; C261-C406 WeakPolarHBondContact SG-CB 3.27Å; C261-C406 CovalentContact SG-SG 2.01Å; C261-C406 PolarHBondContact SG-SG 3.28Å; M404-C406 HydrophobicContact CE-CB 4.47Å; C406-R408 PolarHBondContact SG-NH1 3.08Å; C406-L428 HydrophobicContact CB-CD1 4.44Å; C406-H430 PolarHBondContact N-O 2.67Å; C406-S431 WeakPolarHBondContact O-CA 3.12Å; C406-M432 PolarHBondContact O-N 3.37Å
407A98.1Very high95.8Very high0 Ų025.6 Ų25.60%014%0.137CC..EExtended strand (participates in β ladder)trans-97.8129.1168.200000109.8S258 N259 F409 F434 D452S258-A407 PolarHBondContact O-N 3.07Å; N259-A407 CarbonylContact C-O 3.5Å; N259-A407 WeakPolarHBondContact CA-O 3.48Å; N259-A407 HydrophobicContact CB-CB 4.17Å; A407-F409 HydrophobicContact CB-CE2 4.11Å; A407-F434 HydrophobicContact CB-CE2 4.26Å; A407-D452 WeakPolarHBondContact CB-OD2 3.48Å
408R97.4Very high95.8Very high3 Ų325.3 Ų25.31%0.01114%0.139CC..EExtended strand (participates in β ladder)trans-118.8106.2177.8-65.6175.8-178.390.3-12.9111C406 S415 V416 D418 S431 M432 Y433 F434C406-R408 PolarHBondContact SG-NH1 3.08Å; R408-S415 WeakPolarHBondContact CD-OG 3.38Å; R408-S415 PolarHBondContact NE-OG 3.44Å; R408-V416 PolarHBondContact NE-O 2.91Å; R408-V416 PolarHBondContact NH2-O 3.15Å; R408-D418 IonicContact CZ-OD1 3.83Å; R408-D418 IonicContact NH1-OD1 3.82Å; R408-D418 PolarHBondContact NH1-OD1 3.42Å; R408-D418 IonicContact NH2-OD1 3.65Å; R408-D418 PolarHBondContact NH2-OD1 3.39Å; R408-S431 PolarHBondContact NH1-OG 2.86Å; R408-M432 PolarHBondContact N-O 3.27Å; R408-Y433 HydrophobicContact CB-CD1 4.12Å; R408-Y433 HydrophobicContact CB-CE1 4.48Å; R408-F434 PolarHBondContact O-N 2.87Å
409F96.9Very high95.7Very high6 Ų629 Ų293%0.02615%0.152CC..  trans-80.3150.6172.2-66.9-84.2000110.6N259 A407 F411 D412 F434 Q436 A441 M445 M448 L449N259-F409 HydrophobicContact CB-CD2 4.33Å; N259-F409 HydrophobicContact CB-CE2 4.05Å; A407-F409 HydrophobicContact CB-CE2 4.11Å; F409-F411 PolarHBondContact O-N 3.49Å; F409-D412 HydrophobicContact CB-CB 4.32Å; F409-F434 HydrophobicContact CD1-CB 3.95Å; F409-F434 AromaticContact CD1-CD2 3.95Å; F409-F434 HydrophobicContact CD1-CD2 3.95Å; F409-F434 HydrophobicContact CD1-CG 4.08Å; F409-F434 HydrophobicContact CE1-CB 4.35Å; F409-F434 AromaticContact CE1-CD2 3.76Å; F409-F434 HydrophobicContact CE1-CD2 3.76Å; F409-F434 HydrophobicContact CE1-CE2 4.26Å; F409-F434 AromaticContact CE1-CG 4Å; F409-F434 HydrophobicContact CE1-CG 4Å; F409-F434 HydrophobicContact CE2-CD2 4.41Å; F409-F434 HydrophobicContact CG-CD2 4.4Å; F409-F434 HydrophobicContact CZ-CD2 4.01Å; F409-F434 HydrophobicContact CZ-CE2 4.14Å; F409-Q436 WeakPolarHBondContact CD1-O 3.31Å; F409-A441 HydrophobicContact CD2-CB 3.68Å; F409-A441 HydrophobicContact CE2-CB 3.29Å; F409-A441 HydrophobicContact CG-CB 4.45Å; F409-A441 HydrophobicContact CZ-CB 3.75Å; F409-M445 HydrophobicContact CE1-CB 4.06Å; F409-M445 HydrophobicContact CE1-CG 4.48Å; F409-M448 HydrophobicContact CE1-CB 4.19Å; F409-L449 HydrophobicContact CE2-CD1 4.39Å; F409-L449 HydrophobicContact CZ-CB 4.42Å
410R94.3Very high95.7Very high52 Ų5225.6 Ų25.620%0.19614%0.136CC..THydrogen-bonded Turntrans-68-38.3-167.217760.3-178.9125.6-4.7113.3D290 F434 Q436 G437D290-R410 PolarHBondContact O-NH1 3.37Å; D290-R410 IonicContact OD2-CZ 3.56Å; D290-R410 IonicContact OD2-NH2 3.48Å; D290-R410 PolarHBondContact OD2-NH2 3.29Å; R410-F434 WeakPolarHBondContact CB-O 3.19Å; R410-F434 PolarHBondContact N-O 3.44Å; R410-Q436 PolarHBondContact N-O 3.44Å; R410-G437 PolarHBondContact N-O 2.88Å
411F93.7Very high95.6Very high67 Ų6725.7 Ų25.729%0.29414%0.136SC..THydrogen-bonded Turntrans-109.817-171.4-47.6-60.1000112N343 P344 F409 G437N343-F411 HydrophobicContact CB-CB 4.07Å; N343-F411 HydrophobicContact CB-CD1 3.83Å; N343-F411 HydrophobicContact CB-CD2 3.29Å; N343-F411 HydrophobicContact CB-CE1 4.02Å; N343-F411 HydrophobicContact CB-CE2 3.51Å; N343-F411 HydrophobicContact CB-CG 3.45Å; N343-F411 VanDerWaalsContact CB-CG 3.45Å; N343-F411 HydrophobicContact CB-CZ 3.87Å; P344-F411 HydrophobicContact CG-CD1 4.14Å; F409-F411 PolarHBondContact O-N 3.49Å; F411-G437 WeakPolarHBondContact CB-O 3.39Å; F411-G437 WeakPolarHBondContact CD2-O 3.48Å; F411-G437 PolarHBondContact N-O 3.14Å
412D94Very high95.6Very high25 Ų2527 Ų2713%0.13413%0.131CC..SBendtrans-79.4173.9168.2-166.110.1000110.4F409 H439F409-D412 HydrophobicContact CB-CB 4.32Å; D412-H439 WeakPolarHBondContact OD1-CA 3.47Å; D412-H439 IonicContact OD1-CE1 3.39Å; D412-H439 IonicContact OD1-CG 3.95Å; D412-H439 IonicContact OD1-ND1 3.08Å; D412-H439 PolarHBondContact OD1-ND1 3.3Å
413L87.7Confident95.5Very high73 Ų7328.9 Ų28.938%0.38214%0.14SC..SBendtrans-50.2149.1169.2-62.9174.7000111.2M260 S415M260-L413 HydrophobicContact CE-CD1 3.48Å; M260-L413 VanDerWaalsContact CE-CD1 3.48Å; L413-S415 PolarHBondContact O-N 2.8Å
414A88.1Confident95.5Very high43 Ų4327.9 Ų27.936%0.35513%0.134SC..  trans-58.8103-179.600000111.2K298K298-A414 HydrophobicContact CB-CB 3.8Å; K298-A414 HydrophobicContact CD-CB 4.11Å; K298-A414 HydrophobicContact CG-CB 3.82Å
415S92.3Very high95.5Very high13 Ų1328.1 Ų28.19%0.09114%0.135CC..PPolyproline II helixtrans-69.6158.8175.466.90000110.7C261 H292 R408 L413C261-S415 CarbonylContact O-C 3.39Å; C261-S415 WeakPolarHBondContact O-CA 3.33Å; H292-S415 PolarHBondContact CE1-OG 3.38Å; H292-S415 PolarHBondContact ND1-O 3.11Å; H292-S415 PolarHBondContact ND1-OG 2.91Å; R408-S415 WeakPolarHBondContact CD-OG 3.38Å; R408-S415 PolarHBondContact NE-OG 3.44Å; L413-S415 PolarHBondContact O-N 2.8Å
416V94.8Very high95.4Very high15 Ų1531.2 Ų31.29%0.09116%0.155CC..PPolyproline II helixtrans-87.2155.9169.9-54.30000110.9C261 L263 H292 R408 Q420 L421C261-V416 PolarHBondContact O-N 3.43Å; L263-V416 HydrophobicContact CB-CG1 4.14Å; L263-V416 HydrophobicContact CB-CG2 3.85Å; H292-V416 VanDerWaalsContact CE1-C 3.49Å; H292-V416 PolarHBondContact CE1-O 2.97Å; H292-V416 VanDerWaalsContact CE1-O 3.29Å; R408-V416 PolarHBondContact NE-O 2.91Å; R408-V416 PolarHBondContact NH2-O 3.15Å; V416-Q420 HydrophobicContact CB-CB 3.84Å; V416-Q420 HydrophobicContact CB-CG 4.48Å; V416-Q420 HydrophobicContact CG2-CB 3.97Å; V416-L421 HydrophobicContact CG2-CB 4.36Å; V416-L421 HydrophobicContact CG2-CD1 3.39Å; V416-L421 HydrophobicContact CG2-CG 3.53Å; V416-L421 VanDerWaalsContact O-CD1 3.3Å; V416-L421 WeakPolarHBondContact O-CD1 3.5Å
417T96.4Very high95.4Very high1 Ų133.8 Ų33.81%0.00617%0.169CC..PPolyproline II helixtrans-69.6162177.964.20000111.9L283 H292 F293 W419 Q420 L421L283-T417 HydrophobicContact CD2-CG2 3.81Å; H292-T417 HydrophobicContact CB-CG2 4.22Å; F293-T417 HydrophobicContact CE2-CG2 4.09Å; F293-T417 HydrophobicContact CZ-CG2 3.88Å; T417-W419 PolarHBondContact O-N 3.43Å; T417-Q420 WeakPolarHBondContact O-CB 3Å; T417-Q420 PolarHBondContact O-N 3.01Å; T417-Q420 PolarHBondContact OG1-N 3.35Å; T417-Q420 PolarHBondContact OG1-OE1 2.77Å; T417-L421 PolarHBondContact O-N 3.21Å
418D96.4Very high95.3Very high30 Ų3034.2 Ų34.216%0.1617%0.171CC..Hα-helixtrans-57.3-33173.3-76.18.2000112.6R408 Q420 L421 R422 L428 S431R408-D418 IonicContact CZ-OD1 3.83Å; R408-D418 IonicContact NH1-OD1 3.82Å; R408-D418 PolarHBondContact NH1-OD1 3.42Å; R408-D418 IonicContact NH2-OD1 3.65Å; R408-D418 PolarHBondContact NH2-OD1 3.39Å; D418-Q420 VanDerWaalsContact C-N 3.3Å; D418-Q420 PolarHBondContact O-N 3.41Å; D418-L421 PolarHBondContact O-N 2.93Å; D418-R422 WeakPolarHBondContact O-CB 3.27Å; D418-R422 VanDerWaalsContact O-CG 3.24Å; D418-R422 WeakPolarHBondContact O-CG 3.48Å; D418-R422 PolarHBondContact O-N 3.33Å; D418-L428 HydrophobicContact CB-CD2 3.83Å; D418-S431 PolarHBondContact OD1-OG 3.46Å; D418-S431 WeakPolarHBondContact OD2-CB 3.41Å; D418-S431 PolarHBondContact OD2-OG 3.41Å
419W95.9Very high95.3Very high82 Ų8236.1 Ų36.131%0.31118%0.183SC..Hα-helixtrans-65.2-32.9176.517747.1000113K271 Y274 Y282 T417K271-W419 HydrophobicContact CB-CD2 4.42Å; K271-W419 HydrophobicContact CB-CE3 3.79Å; K271-W419 HydrophobicContact CB-CH2 3.82Å; K271-W419 HydrophobicContact CB-CZ2 4.41Å; K271-W419 HydrophobicContact CB-CZ3 3.46Å; K271-W419 VanDerWaalsContact CB-CZ3 3.46Å; K271-W419 HydrophobicContact CD-CD2 3.72Å; K271-W419 HydrophobicContact CD-CE3 3.96Å; K271-W419 HydrophobicContact CD-CG 4.33Å; K271-W419 HydrophobicContact CD-CH2 4.05Å; K271-W419 HydrophobicContact CD-CZ2 3.78Å; K271-W419 HydrophobicContact CD-CZ3 4.12Å; K271-W419 HydrophobicContact CG-CD2 4.18Å; K271-W419 HydrophobicContact CG-CE3 3.98Å; K271-W419 HydrophobicContact CG-CH2 3.46Å; K271-W419 VanDerWaalsContact CG-CH2 3.46Å; K271-W419 HydrophobicContact CG-CZ2 3.63Å; K271-W419 HydrophobicContact CG-CZ3 3.63Å; K271-W419 PolarHBondContact NZ-O 3.02Å; K271-W419 WeakPolarHBondContact O-CZ3 3.43Å; Y274-W419 HydrophobicContact CD1-CH2 4.12Å; Y274-W419 HydrophobicContact CD1-CZ3 4.27Å; Y282-W419 HydrophobicContact CD1-CB 4.24Å; Y282-W419 AromaticContact CD1-CD2 3.7Å; Y282-W419 HydrophobicContact CD1-CD2 3.7Å; Y282-W419 AromaticContact CD1-CE3 3.67Å; Y282-W419 HydrophobicContact CD1-CE3 3.67Å; Y282-W419 AromaticContact CD1-CG 3.97Å; Y282-W419 HydrophobicContact CD1-CG 3.97Å; Y282-W419 HydrophobicContact CD1-CZ3 4.23Å; Y282-W419 HydrophobicContact CD2-CE3 4.08Å; Y282-W419 HydrophobicContact CD2-CZ3 4.11Å; Y282-W419 AromaticContact CE1-CD2 3.82Å; Y282-W419 HydrophobicContact CE1-CD2 3.82Å; Y282-W419 AromaticContact CE1-CE2 3.97Å; Y282-W419 AromaticContact CE1-CE3 3.85Å; Y282-W419 HydrophobicContact CE1-CE3 3.85Å; Y282-W419 HydrophobicContact CE1-CG 4.39Å; Y282-W419 HydrophobicContact CE1-CH2 4.14Å; Y282-W419 HydrophobicContact CE1-CZ2 4.15Å; Y282-W419 AromaticContact CE1-CZ3 4Å; Y282-W419 HydrophobicContact CE1-CZ3 4Å; Y282-W419 HydrophobicContact CE2-CE3 4.22Å; Y282-W419 HydrophobicContact CE2-CH2 4.33Å; Y282-W419 AromaticContact CE2-CZ3 3.86Å; Y282-W419 HydrophobicContact CE2-CZ3 3.86Å; Y282-W419 HydrophobicContact CG-CD2 4.26Å; Y282-W419 AromaticContact CG-CE3 3.78Å; Y282-W419 HydrophobicContact CG-CE3 3.78Å; Y282-W419 HydrophobicContact CG-CZ3 4.27Å; Y282-W419 AromaticContact CZ-CH2 3.88Å; Y282-W419 AromaticContact CZ-CZ3 3.79Å; T417-W419 PolarHBondContact O-N 3.43Å
420Q96.7Very high95.3Very high12 Ų1236.2 Ų36.26%0.05618%0.183CC..Hα-helixtrans-78.9-48.7173.4-69.3160.7-80.700110.6L263 A268 K271 V416 T417 D418 R422 D423L263-Q420 VanDerWaalsContact CD2-O 3.23Å; L263-Q420 WeakPolarHBondContact CD2-O 3.43Å; A268-Q420 HydrophobicContact CB-CB 4.37Å; A268-Q420 HydrophobicContact CB-CG 4.44Å; A268-Q420 PolarHBondContact O-NE2 2.98Å; K271-Q420 HydrophobicContact CB-CG 3.66Å; K271-Q420 HydrophobicContact CD-CG 4.11Å; V416-Q420 HydrophobicContact CB-CB 3.84Å; V416-Q420 HydrophobicContact CB-CG 4.48Å; V416-Q420 HydrophobicContact CG2-CB 3.97Å; T417-Q420 WeakPolarHBondContact O-CB 3Å; T417-Q420 PolarHBondContact O-N 3.01Å; T417-Q420 PolarHBondContact OG1-N 3.35Å; T417-Q420 PolarHBondContact OG1-OE1 2.77Å; D418-Q420 VanDerWaalsContact C-N 3.3Å; D418-Q420 PolarHBondContact O-N 3.41Å; Q420-R422 VanDerWaalsContact C-N 3.25Å; Q420-R422 PolarHBondContact O-N 3.5Å; Q420-D423 WeakPolarHBondContact O-CB 3.23Å; Q420-D423 PolarHBondContact O-N 2.92Å
421L97Very high95.4Very high3 Ų335.2 Ų35.22%0.01618%0.184CC..Hα-helixtrans-57.5-36.2-178.5-97.7130000113.1C261 M404 V416 T417 D418 D423 K424 F425 L428C261-L421 HydrophobicContact CB-CD1 3.81Å; C261-L421 HydrophobicContact CB-CD2 4.23Å; M404-L421 HydrophobicContact CE-CD2 4.46Å; V416-L421 HydrophobicContact CG2-CB 4.36Å; V416-L421 HydrophobicContact CG2-CD1 3.39Å; V416-L421 HydrophobicContact CG2-CG 3.53Å; V416-L421 VanDerWaalsContact O-CD1 3.3Å; V416-L421 WeakPolarHBondContact O-CD1 3.5Å; T417-L421 PolarHBondContact O-N 3.21Å; D418-L421 PolarHBondContact O-N 2.93Å; L421-D423 PolarHBondContact O-N 2.97Å; L421-D423 VanDerWaalsContact O-N 3.15Å; L421-K424 PolarHBondContact O-N 3.09Å; L421-K424 VanDerWaalsContact O-N 3.11Å; L421-F425 HydrophobicContact CD2-CD2 4.06Å; L421-F425 HydrophobicContact CD2-CE2 4.46Å; L421-F425 PolarHBondContact O-N 3.37Å; L421-L428 HydrophobicContact CB-CD2 4.22Å
422R97Very high95.5Very high114 Ų11436 Ų3643%0.4319%0.19SC..Hα-helixtrans-62.2-18.7178.2-77.2178.8-167.9-68.2-7.6114.4D418 Q420 K424 F425 L428D418-R422 WeakPolarHBondContact O-CB 3.27Å; D418-R422 VanDerWaalsContact O-CG 3.24Å; D418-R422 WeakPolarHBondContact O-CG 3.48Å; D418-R422 PolarHBondContact O-N 3.33Å; Q420-R422 VanDerWaalsContact C-N 3.25Å; Q420-R422 PolarHBondContact O-N 3.5Å; R422-K424 VanDerWaalsContact C-N 3.32Å; R422-F425 WeakPolarHBondContact CA-O 3.19Å; R422-F425 CarbonylContact O-C 3.55Å; R422-L428 HydrophobicContact CG-CB 4.05Å; R422-L428 HydrophobicContact CG-CD2 4.13Å; R422-L428 PolarHBondContact NH1-O 3.29Å; R422-L428 VanDerWaalsContact NH1-O 3.13Å; R422-L428 PolarHBondContact NH2-O 2.92Å
423D96Very high95.6Very high43 Ų4335.5 Ų35.523%0.2319%0.186CC..Hα-helixtrans-67.2-36.5174.9-66.7-24.4000111.7L267 K271 Q399 Q420 L421L267-D423 WeakPolarHBondContact CD2-OD2 3.47Å; K271-D423 VanDerWaalsContact CE-OD2 3.3Å; K271-D423 WeakPolarHBondContact CE-OD2 3.25Å; K271-D423 IonicContact NZ-OD1 3.37Å; K271-D423 PolarHBondContact NZ-OD1 3.08Å; K271-D423 IonicContact NZ-OD2 2.95Å; K271-D423 PolarHBondContact NZ-OD2 3.17Å; Q399-D423 WeakPolarHBondContact CG-O 3.32Å; Q399-D423 PolarHBondContact NE2-O 2.85Å; Q420-D423 WeakPolarHBondContact O-CB 3.23Å; Q420-D423 PolarHBondContact O-N 2.92Å; L421-D423 PolarHBondContact O-N 2.97Å; L421-D423 VanDerWaalsContact O-N 3.15Å
424K97.5Very high96Very high2 Ų233.4 Ų33.41%0.00917%0.174CC..Hα-helixtrans-92.1-37.9176.6-179.8173.4173.3124.10112.4S243 L263 L395 D396 Q399 S400 L421 R422 P426S243-K424 WeakPolarHBondContact OG-CE 3.39Å; S243-K424 PolarHBondContact OG-NZ 2.84Å; L263-K424 HydrophobicContact CD1-CB 3.83Å; L263-K424 HydrophobicContact CD1-CD 3.56Å; L263-K424 HydrophobicContact CD1-CG 4.3Å; L263-K424 HydrophobicContact CD2-CB 4.13Å; L395-K424 PolarHBondContact O-NZ 2.92Å; D396-K424 IonicContact OD1-NZ 2.71Å; D396-K424 PolarHBondContact OD1-NZ 2.95Å; Q399-K424 CarbonylContact C-O 3.58Å; Q399-K424 WeakPolarHBondContact CA-O 3.46Å; S400-K424 PolarHBondContact N-O 3.23Å; L421-K424 PolarHBondContact O-N 3.09Å; L421-K424 VanDerWaalsContact O-N 3.11Å; R422-K424 VanDerWaalsContact C-N 3.32Å; K424-P426 WeakPolarHBondContact O-CD 3.45Å
425F98.1Very high96.3Very high7 Ų735.9 Ų35.93%0.03118%0.178CC..  trans-119.781.6-179.3-59.3-79.1000110.6Y256 M404 L421 R422 N427 L428Y256-F425 AromaticContact CD1-CE1 3.84Å; Y256-F425 HydrophobicContact CD1-CE1 3.84Å; Y256-F425 AromaticContact CD1-CZ 3.88Å; Y256-F425 HydrophobicContact CD1-CZ 3.88Å; Y256-F425 HydrophobicContact CE1-CE1 4.14Å; Y256-F425 HydrophobicContact CE1-CE2 4.37Å; Y256-F425 AromaticContact CE1-CZ 3.68Å; Y256-F425 HydrophobicContact CE1-CZ 3.68Å; M404-F425 HydrophobicContact CB-CB 3.8Å; M404-F425 HydrophobicContact CB-CD1 3.92Å; M404-F425 HydrophobicContact CB-CG 3.87Å; M404-F425 HydrophobicContact CG-CB 4.08Å; M404-F425 HydrophobicContact CG-CD1 4.13Å; M404-F425 HydrophobicContact CG-CD2 4.09Å; M404-F425 HydrophobicContact CG-CG 3.84Å; L421-F425 HydrophobicContact CD2-CD2 4.06Å; L421-F425 HydrophobicContact CD2-CE2 4.46Å; L421-F425 PolarHBondContact O-N 3.37Å; R422-F425 WeakPolarHBondContact CA-O 3.19Å; R422-F425 CarbonylContact O-C 3.55Å; F425-N427 PolarHBondContact O-N 2.93Å; F425-N427 VanDerWaalsContact O-N 3.07Å; F425-L428 PolarHBondContact O-N 2.95Å; F425-L428 VanDerWaalsContact O-N 3.13Å
426P97.4Very high96.3Very high65 Ų6539.5 Ų39.542%0.42219%0.194SC..THydrogen-bonded Turntrans-53.7-31.5176.7-27.735.5000112.8Q399 S400 K424 L428Q399-P426 HydrophobicContact CB-CG 4.31Å; Q399-P426 HydrophobicContact CG-CG 4.12Å; S400-P426 WeakPolarHBondContact O-CD 3.35Å; K424-P426 WeakPolarHBondContact O-CD 3.45Å; P426-L428 PolarHBondContact O-N 2.93Å
427N97.1Very high96.3Very high54 Ų5438.8 Ų38.829%0.28919%0.19SC..THydrogen-bonded Turntrans-93.447.5177.1-162.916.9000113P401 P403 M404 F425 T429P401-N427 PolarHBondContact O-ND2 2.83Å; P403-N427 WeakPolarHBondContact CA-O 3.46Å; P403-N427 WeakPolarHBondContact CG-ND2 3.38Å; M404-N427 PolarHBondContact N-O 2.86Å; F425-N427 PolarHBondContact O-N 2.93Å; F425-N427 VanDerWaalsContact O-N 3.07Å; N427-T429 PolarHBondContact O-N 3.33Å; N427-T429 VanDerWaalsContact O-N 3.13Å; N427-T429 VanDerWaalsContact OD1-CG2 3.28Å; N427-T429 WeakPolarHBondContact OD1-CG2 3.33Å
428L97.9Very high96.2Very high8 Ų838.8 Ų38.84%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-71.3101.3169.4-179.169.4000109.7M404 C406 D418 L421 R422 F425 P426M404-L428 HydrophobicContact CB-CD1 4.14Å; M404-L428 HydrophobicContact CG-CD1 3.77Å; C406-L428 HydrophobicContact CB-CD1 4.44Å; D418-L428 HydrophobicContact CB-CD2 3.83Å; L421-L428 HydrophobicContact CB-CD2 4.22Å; R422-L428 HydrophobicContact CG-CB 4.05Å; R422-L428 HydrophobicContact CG-CD2 4.13Å; R422-L428 PolarHBondContact NH1-O 3.29Å; R422-L428 VanDerWaalsContact NH1-O 3.13Å; R422-L428 PolarHBondContact NH2-O 2.92Å; F425-L428 PolarHBondContact O-N 2.95Å; F425-L428 VanDerWaalsContact O-N 3.13Å; P426-L428 PolarHBondContact O-N 2.93Å
429T96.8Very high96.3Very high43 Ų4338.2 Ų38.226%0.26419%0.186SC..EExtended strand (participates in β ladder)trans-96.7-25.1-173.249.60000113.5P403 M404 N427 F456 K459P403-T429 HydrophobicContact CB-CG2 4.12Å; M404-T429 PolarHBondContact O-N 2.95Å; M404-T429 PolarHBondContact O-OG1 3.2Å; M404-T429 VanDerWaalsContact O-OG1 3.1Å; N427-T429 PolarHBondContact O-N 3.33Å; N427-T429 VanDerWaalsContact O-N 3.13Å; N427-T429 VanDerWaalsContact OD1-CG2 3.28Å; N427-T429 WeakPolarHBondContact OD1-CG2 3.33Å; T429-F456 WeakPolarHBondContact OG1-CE2 3.37Å; T429-K459 WeakPolarHBondContact O-CD 3.49Å
430H97.3Very high96.4Very high9 Ų934.5 Ų34.54%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-138.3137.5-179-172.9107.6000110.7M404 G405 C406 D452 F456 K459M404-H430 PolarHBondContact O-N 3.31Å; G405-H430 CarbonylContact C-O 3.59Å; G405-H430 WeakPolarHBondContact CA-O 3.24Å; C406-H430 PolarHBondContact N-O 2.67Å; H430-D452 IonicContact CD2-OD1 3.6Å; H430-D452 IonicContact CD2-OD2 3.67Å; H430-D452 IonicContact CE1-OD1 2.69Å; H430-D452 IonicContact NE2-OD1 3.59Å; H430-D452 PolarHBondContact NE2-OD1 2.71Å; H430-D452 VanDerWaalsContact NE2-OD1 3.08Å; H430-D452 IonicContact NE2-OD2 3.43Å; H430-F456 HydrophobicContact CB-CB 3.77Å; H430-F456 HydrophobicContact CB-CD2 3.61Å; H430-F456 HydrophobicContact CB-CG 4.14Å; H430-F456 PolarHBondContact ND1-N 3.48Å; H430-K459 HydrophobicContact CB-CD 4.2Å; H430-K459 PolarHBondContact ND1-NZ 2.97Å
431S96.4Very high96.4Very high31 Ų3134 Ų3422%0.21717%0.169CC..EExtended strand (participates in β ladder)trans-150.6122.7179.1-176.80000107.7C406 R408 D418C406-S431 WeakPolarHBondContact O-CA 3.12Å; R408-S431 PolarHBondContact NH1-OG 2.86Å; D418-S431 PolarHBondContact OD1-OG 3.46Å; D418-S431 WeakPolarHBondContact OD2-CB 3.41Å; D418-S431 PolarHBondContact OD2-OG 3.41Å
432M95.9Very high96.4Very high82 Ų8234 Ų3440%0.40417%0.171SC..EExtended strand (participates in β ladder)trans-136.2148.6-177.3-171.359.9175.100110.9C406 R408 F434 D452C406-M432 PolarHBondContact O-N 3.37Å; R408-M432 PolarHBondContact N-O 3.27Å; M432-F434 HydrophobicContact CB-CE2 4.38Å; M432-F434 HydrophobicContact CE-CE1 4.31Å; M432-F434 HydrophobicContact CG-CE1 4.35Å; M432-F434 HydrophobicContact CG-CE2 3.84Å; M432-F434 HydrophobicContact CG-CZ 3.73Å; M432-D452 WeakPolarHBondContact CB-OD1 3.36Å; M432-D452 WeakPolarHBondContact CG-OD1 3.36Å
433Y96.1Very high96.5Very high16 Ų1629.3 Ų29.36%0.06315%0.154CC..EExtended strand (participates in β ladder)trans-125.7125.2-177.9-69.5-96.3000109.7P284 F288 H291 H292 R408P284-Y433 HydrophobicContact CG-CD2 4.39Å; P284-Y433 HydrophobicContact CG-CE2 3.9Å; F288-Y433 HydrophobicContact CB-CD1 3.64Å; F288-Y433 HydrophobicContact CB-CE1 3.72Å; F288-Y433 HydrophobicContact CB-CG 4.18Å; F288-Y433 VanDerWaalsContact CD1-CB 3.4Å; F288-Y433 AromaticContact CD1-CD1 3.8Å; F288-Y433 HydrophobicContact CD1-CD1 3.8Å; F288-Y433 AromaticContact CD1-CG 3.68Å; F288-Y433 HydrophobicContact CD1-CG 3.68Å; F288-Y433 HydrophobicContact CD2-CD1 4.17Å; F288-Y433 AromaticContact CD2-CD2 3.87Å; F288-Y433 HydrophobicContact CD2-CD2 3.87Å; F288-Y433 HydrophobicContact CD2-CE1 4.5Å; F288-Y433 HydrophobicContact CD2-CE2 4.26Å; F288-Y433 AromaticContact CD2-CG 3.83Å; F288-Y433 HydrophobicContact CD2-CG 3.83Å; F288-Y433 AromaticContact CE1-CG 3.95Å; F288-Y433 HydrophobicContact CE1-CG 3.95Å; F288-Y433 AromaticContact CE2-CD2 3.99Å; F288-Y433 HydrophobicContact CE2-CD2 3.99Å; F288-Y433 HydrophobicContact CE2-CG 4.07Å; F288-Y433 AromaticContact CG-CD1 3.61Å; F288-Y433 HydrophobicContact CG-CD1 3.61Å; F288-Y433 HydrophobicContact CG-CD2 4.14Å; F288-Y433 HydrophobicContact CG-CE1 4.09Å; F288-Y433 AromaticContact CG-CG 3.62Å; F288-Y433 HydrophobicContact CG-CG 3.62Å; F288-Y433 HydrophobicContact CZ-CD2 4.38Å; F288-Y433 HydrophobicContact CZ-CG 4.13Å; H291-Y433 HydrophobicContact CB-CD1 4.45Å; H291-Y433 HydrophobicContact CB-CE1 4.35Å; H291-Y433 AromaticContact CG-CD1 3.97Å; H292-Y433 AromaticContact NE2-CE1 3.28Å; H292-Y433 VanDerWaalsContact NE2-CE1 3.28Å; H292-Y433 WeakPolarHBondContact NE2-CE1 3.3Å; H292-Y433 AromaticContact NE2-CZ 3.6Å; H292-Y433 PolarHBondContact NE2-OH 2.83Å; R408-Y433 HydrophobicContact CB-CD1 4.12Å; R408-Y433 HydrophobicContact CB-CE1 4.48Å
434F96.3Very high96.5Very high28 Ų2828.6 Ų28.612%0.12315%0.149CC..  trans-105.3148.6172.8-60.7-80.7000110H291 A407 R408 F409 R410 M432 M448 D452H291-F434 PolarHBondContact CE1-O 2.95Å; H291-F434 PolarHBondContact NE2-O 3.49Å; A407-F434 HydrophobicContact CB-CE2 4.26Å; R408-F434 PolarHBondContact O-N 2.87Å; F409-F434 HydrophobicContact CD1-CB 3.95Å; F409-F434 AromaticContact CD1-CD2 3.95Å; F409-F434 HydrophobicContact CD1-CD2 3.95Å; F409-F434 HydrophobicContact CD1-CG 4.08Å; F409-F434 HydrophobicContact CE1-CB 4.35Å; F409-F434 AromaticContact CE1-CD2 3.76Å; F409-F434 HydrophobicContact CE1-CD2 3.76Å; F409-F434 HydrophobicContact CE1-CE2 4.26Å; F409-F434 AromaticContact CE1-CG 4Å; F409-F434 HydrophobicContact CE1-CG 4Å; F409-F434 HydrophobicContact CE2-CD2 4.41Å; F409-F434 HydrophobicContact CG-CD2 4.4Å; F409-F434 HydrophobicContact CZ-CD2 4.01Å; F409-F434 HydrophobicContact CZ-CE2 4.14Å; R410-F434 WeakPolarHBondContact CB-O 3.19Å; R410-F434 PolarHBondContact N-O 3.44Å; M432-F434 HydrophobicContact CB-CE2 4.38Å; M432-F434 HydrophobicContact CE-CE1 4.31Å; M432-F434 HydrophobicContact CG-CE1 4.35Å; M432-F434 HydrophobicContact CG-CE2 3.84Å; M432-F434 HydrophobicContact CG-CZ 3.73Å; F434-M448 HydrophobicContact CD1-CB 4.46Å; F434-M448 HydrophobicContact CD1-SD 3.93Å; F434-M448 HydrophobicContact CE1-CB 4.07Å; F434-M448 HydrophobicContact CE1-SD 4.33Å; F434-M448 HydrophobicContact CZ-CB 4.4Å; F434-D452 HydrophobicContact CE2-CB 4.26Å; F434-D452 HydrophobicContact CZ-CB 3.99Å
435Q93.8Very high96.5Very high95 Ų9530.4 Ų30.444%0.44416%0.158SC..SBendtrans-98.35.5177-66.5-64.3-20.600112.7F287F287-Q435 PolarHBondContact O-NE2 3.16Å
436Q92.7Very high96.5Very high89 Ų8931.1 Ų31.142%0.41616%0.163SC..SBendtrans-140.1178.1175.562.7-1747300108.9F409 R410 M445 M448F409-Q436 WeakPolarHBondContact CD1-O 3.31Å; R410-Q436 PolarHBondContact N-O 3.44Å; Q436-M445 HydrophobicContact CG-CE 4.3Å; Q436-M445 PolarHBondContact NE2-SD 3.04Å; Q436-M445 VanDerWaalsContact NE2-SD 3.37Å; Q436-M448 HydrophobicContact CG-CE 3.96Å; Q436-M448 HydrophobicContact CG-SD 3.88Å
437G94.6Very high96.4Very high1 Ų130.4 Ų30.41%0.0116%0.163CC..  trans82.1153.2-177.300000113.1R410 F411 E444R410-G437 PolarHBondContact N-O 2.88Å; F411-G437 WeakPolarHBondContact CB-O 3.39Å; F411-G437 WeakPolarHBondContact CD2-O 3.48Å; F411-G437 PolarHBondContact N-O 3.14Å; G437-E444 WeakPolarHBondContact CA-OE1 3.4Å
438S93.9Very high96.5Very high0 Ų030.3 Ų30.30%016%0.162CC..  trans-121-153.6-177.875.60000111.3C341 T342 E444C341-S438 WeakPolarHBondContact O-CB 3.33Å; C341-S438 PolarHBondContact O-OG 3Å; T342-S438 VanDerWaalsContact O-CB 3.27Å; T342-S438 WeakPolarHBondContact O-CB 3.48Å; S438-E444 WeakPolarHBondContact CA-OE2 3.41Å; S438-E444 WeakPolarHBondContact CB-OE2 3.27Å; S438-E444 PolarHBondContact N-OE2 3.47Å; S438-E444 PolarHBondContact OG-OE2 3.14Å
439H97.3Very high96.5Very high18 Ų1830 Ų308%0.08316%0.16CC..SBendtrans-64.6-41.4-179.4-166.363.9000114.1D236 C341 D412 A441D236-H439 WeakPolarHBondContact CB-NE2 3.36Å; D236-H439 IonicContact OD2-CE1 3.34Å; D236-H439 IonicContact OD2-NE2 2.71Å; D236-H439 PolarHBondContact OD2-NE2 3.1Å; C341-H439 HydrophobicContact CB-CB 3.93Å; D412-H439 WeakPolarHBondContact OD1-CA 3.47Å; D412-H439 IonicContact OD1-CE1 3.39Å; D412-H439 IonicContact OD1-CG 3.95Å; D412-H439 IonicContact OD1-ND1 3.08Å; D412-H439 PolarHBondContact OD1-ND1 3.3Å; H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 3.3Å
440F97.9Very high96.5Very high4 Ų428.3 Ų28.32%0.01815%0.149CC..  trans-88.255.8-174.6-57-75.8000112P164 E169 F338 C341 F357 A442 L443 E444P164-F440 HydrophobicContact CG-CZ 4.45Å; E169-F440 WeakPolarHBondContact OE2-CD1 3.19Å; F338-F440 AromaticContact CD1-CD2 3.92Å; F338-F440 HydrophobicContact CD1-CD2 3.92Å; F338-F440 AromaticContact CD1-CE2 3.75Å; F338-F440 HydrophobicContact CD1-CE2 3.75Å; F338-F440 HydrophobicContact CD1-CG 4.47Å; F338-F440 HydrophobicContact CD1-CZ 4.18Å; F338-F440 HydrophobicContact CE1-CD1 4.14Å; F338-F440 AromaticContact CE1-CD2 3.97Å; F338-F440 HydrophobicContact CE1-CD2 3.97Å; F338-F440 HydrophobicContact CE1-CE1 4.09Å; F338-F440 AromaticContact CE1-CE2 3.91Å; F338-F440 HydrophobicContact CE1-CE2 3.91Å; F338-F440 HydrophobicContact CE1-CG 4.08Å; F338-F440 AromaticContact CE1-CZ 3.97Å; F338-F440 HydrophobicContact CE1-CZ 3.97Å; F338-F440 HydrophobicContact CE2-CZ 4.38Å; F338-F440 HydrophobicContact CG-CE2 4.18Å; F338-F440 HydrophobicContact CG-CZ 4.49Å; F338-F440 HydrophobicContact CZ-CD1 4.48Å; F338-F440 HydrophobicContact CZ-CE1 4.1Å; F338-F440 HydrophobicContact CZ-CE2 4.46Å; F338-F440 HydrophobicContact CZ-CZ 4.08Å; C341-F440 HydrophobicContact CB-CD2 3.91Å; C341-F440 HydrophobicContact CB-CE2 3.63Å; F357-F440 HydrophobicContact CE1-CB 3.83Å; F357-F440 HydrophobicContact CE1-CD2 4.04Å; F357-F440 HydrophobicContact CE1-CG 4.36Å; F357-F440 HydrophobicContact CZ-CB 4.41Å; F357-F440 AromaticContact CZ-CD2 3.81Å; F357-F440 HydrophobicContact CZ-CD2 3.81Å; F440-A442 VanDerWaalsContact C-N 3.31Å; F440-A442 PolarHBondContact O-N 3.45Å; F440-L443 HydrophobicContact CB-CB 4.22Å; F440-L443 PolarHBondContact O-N 3.3Å; F440-E444 WeakPolarHBondContact O-CB 3.4Å; F440-E444 PolarHBondContact O-N 3.25Å
441A97.6Very high96.5Very high1 Ų131.3 Ų31.31%0.00817%0.165CC..Hα-helixtrans-54.8-39.2-168.700000115N259 F409 H439 L443 M445 L449N259-A441 HydrophobicContact CB-CB 4.27Å; F409-A441 HydrophobicContact CD2-CB 3.68Å; F409-A441 HydrophobicContact CE2-CB 3.29Å; F409-A441 HydrophobicContact CG-CB 4.45Å; F409-A441 HydrophobicContact CZ-CB 3.75Å; H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 3.3Å; A441-L443 VanDerWaalsContact C-N 3.32Å; A441-M445 CarbonylContact O-C 3.58Å; A441-M445 WeakPolarHBondContact O-CA 3.37Å; A441-M445 PolarHBondContact O-N 3.04Å; A441-L449 HydrophobicContact CB-CD2 4.31Å
442A97.8Very high96.6Very high5 Ų530.1 Ų30.14%0.04116%0.156CC..Hα-helixtrans-70.4-30179.900000112.7E169 F170 F173 F440 P446 L449E169-A442 CarbonylContact O-C 3.43Å; F170-A442 HydrophobicContact CD1-CB 3.75Å; F170-A442 HydrophobicContact CE1-CB 3.98Å; F173-A442 HydrophobicContact CB-CB 4.45Å; F173-A442 HydrophobicContact CD1-CB 4.28Å; F173-A442 HydrophobicContact CG-CB 4.48Å; F440-A442 VanDerWaalsContact C-N 3.31Å; F440-A442 PolarHBondContact O-N 3.45Å; A442-P446 WeakPolarHBondContact O-CB 3.47Å; A442-L449 HydrophobicContact CB-CD2 3.81Å
443L97.7Very high96.7Very high14 Ų1426.2 Ų26.27%0.07314%0.137CC..Hα-helixtrans-83.6-42.8177.4-177.163.4000111.6E169 F338 F357 A361 F440 A441E169-L443 HydrophobicContact CB-CB 4.49Å; F338-L443 HydrophobicContact CE1-CD2 3.8Å; F357-L443 HydrophobicContact CB-CD2 4.25Å; F357-L443 HydrophobicContact CD1-CD2 3.79Å; F357-L443 HydrophobicContact CD1-CG 4Å; F357-L443 HydrophobicContact CG-CD2 4.28Å; A361-L443 HydrophobicContact CB-CD1 4.06Å; F440-L443 HydrophobicContact CB-CB 4.22Å; F440-L443 PolarHBondContact O-N 3.3Å; A441-L443 VanDerWaalsContact C-N 3.32Å
444E97.4Very high96.7Very high28 Ų2825.8 Ų25.813%0.13114%0.136CC..Hα-helixtrans-80.9-46.1-175.5-165.2-171.1156.600113V356 F357 G437 S438 F440 P446V356-E444 HydrophobicContact CG1-CG 3.61Å; F357-E444 HydrophobicContact CD1-CB 4.26Å; F357-E444 HydrophobicContact CE1-CB 3.85Å; F357-E444 HydrophobicContact CE1-CG 4.14Å; G437-E444 WeakPolarHBondContact CA-OE1 3.4Å; S438-E444 WeakPolarHBondContact CA-OE2 3.41Å; S438-E444 WeakPolarHBondContact CB-OE2 3.27Å; S438-E444 PolarHBondContact N-OE2 3.47Å; S438-E444 PolarHBondContact OG-OE2 3.14Å; F440-E444 WeakPolarHBondContact O-CB 3.4Å; F440-E444 PolarHBondContact O-N 3.25Å; E444-P446 VanDerWaalsContact C-CD 3.42Å
445M97.2Very high96.7Very high40 Ų4026.7 Ų26.720%0.19715%0.149CC..  trans-132.950.7-167.8-62-71.8171.500111.6F409 Q436 A441 A447 M448 L449F409-M445 HydrophobicContact CE1-CB 4.06Å; F409-M445 HydrophobicContact CE1-CG 4.48Å; Q436-M445 HydrophobicContact CG-CE 4.3Å; Q436-M445 PolarHBondContact NE2-SD 3.04Å; Q436-M445 VanDerWaalsContact NE2-SD 3.37Å; A441-M445 CarbonylContact O-C 3.58Å; A441-M445 WeakPolarHBondContact O-CA 3.37Å; A441-M445 PolarHBondContact O-N 3.04Å; M445-A447 PolarHBondContact O-N 3.21Å; M445-A447 VanDerWaalsContact O-N 3.13Å; M445-M448 HydrophobicContact CB-CB 4.1Å; M445-M448 HydrophobicContact CB-CG 4.25Å; M445-M448 HydrophobicContact CB-SD 4.47Å; M445-M448 PolarHBondContact O-N 3.36Å; M445-M448 HydrophobicContact SD-CE 4.44Å; M445-M448 HydrophobicContact SD-SD 4.16Å; M445-L449 PolarHBondContact O-N 3.15Å
446P97.1Very high96.8Very high22 Ų2222.2 Ų22.214%0.14313%0.128CC..Hα-helixtrans-55-39.1-173.118.5-31000112.9D172 F173 M176 A442 E444 L449 F450D172-P446 HydrophobicContact CB-CB 4.45Å; D172-P446 HydrophobicContact CB-CG 4.18Å; F173-P446 HydrophobicContact CB-CB 4.32Å; F173-P446 HydrophobicContact CD2-CB 4.41Å; M176-P446 HydrophobicContact CE-CB 4Å; M176-P446 HydrophobicContact CE-CG 4.12Å; M176-P446 HydrophobicContact SD-CB 4.16Å; A442-P446 WeakPolarHBondContact O-CB 3.47Å; E444-P446 VanDerWaalsContact C-CD 3.42Å; P446-L449 PolarHBondContact O-N 3.44Å; P446-F450 VanDerWaalsContact O-CB 3.26Å; P446-F450 WeakPolarHBondContact O-CB 3.33Å; P446-F450 PolarHBondContact O-N 3.29Å
447A96.5Very high97Very high50 Ų5018 Ų1841%0.41311%0.108SC..Hα-helixtrans-68-36.217900000113.1M176 M445 N451M176-A447 HydrophobicContact CE-CB 4.36Å; M176-A447 HydrophobicContact SD-CB 4.33Å; M445-A447 PolarHBondContact O-N 3.21Å; M445-A447 VanDerWaalsContact O-N 3.13Å; A447-N451 WeakPolarHBondContact O-CB 3.41Å; A447-N451 PolarHBondContact O-N 3.44Å; A447-N451 PolarHBondContact O-ND2 3.08Å
448M97.4Very high97Very high53 Ų5318.6 Ų18.626%0.26112%0.115SC..Hα-helixtrans-69.3-45.2176.6-63.8-164171.100110.5F409 F434 Q436 M445 F450 N451 D452F409-M448 HydrophobicContact CE1-CB 4.19Å; F434-M448 HydrophobicContact CD1-CB 4.46Å; F434-M448 HydrophobicContact CD1-SD 3.93Å; F434-M448 HydrophobicContact CE1-CB 4.07Å; F434-M448 HydrophobicContact CE1-SD 4.33Å; F434-M448 HydrophobicContact CZ-CB 4.4Å; Q436-M448 HydrophobicContact CG-CE 3.96Å; Q436-M448 HydrophobicContact CG-SD 3.88Å; M445-M448 HydrophobicContact CB-CB 4.1Å; M445-M448 HydrophobicContact CB-CG 4.25Å; M445-M448 HydrophobicContact CB-SD 4.47Å; M445-M448 PolarHBondContact O-N 3.36Å; M445-M448 HydrophobicContact SD-CE 4.44Å; M445-M448 HydrophobicContact SD-SD 4.16Å; M448-F450 VanDerWaalsContact C-N 3.31Å; M448-F450 PolarHBondContact O-N 3.38Å; M448-N451 PolarHBondContact O-N 2.82Å; M448-D452 WeakPolarHBondContact O-CB 3.27Å; M448-D452 PolarHBondContact O-N 3.34Å
449L98.3Very high97Very high0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-61.5-40.6176.3-175.661.6000111.5F173 N259 F409 A441 A442 M445 P446 D452 F453F173-L449 HydrophobicContact CD1-CD2 4.42Å; F173-L449 HydrophobicContact CE1-CD2 3.94Å; F173-L449 HydrophobicContact CE1-CG 4.39Å; F173-L449 HydrophobicContact CE2-CB 4.28Å; F173-L449 HydrophobicContact CE2-CD2 4.26Å; F173-L449 HydrophobicContact CE2-CG 4.1Å; F173-L449 HydrophobicContact CZ-CD2 3.87Å; F173-L449 HydrophobicContact CZ-CG 3.82Å; N259-L449 HydrophobicContact CB-CD1 4.09Å; F409-L449 HydrophobicContact CE2-CD1 4.39Å; F409-L449 HydrophobicContact CZ-CB 4.42Å; A441-L449 HydrophobicContact CB-CD2 4.31Å; A442-L449 HydrophobicContact CB-CD2 3.81Å; M445-L449 PolarHBondContact O-N 3.15Å; P446-L449 PolarHBondContact O-N 3.44Å; L449-D452 PolarHBondContact O-N 2.86Å; L449-F453 VanDerWaalsContact O-CB 3.28Å; L449-F453 WeakPolarHBondContact O-CB 3.31Å; L449-F453 PolarHBondContact O-N 2.86Å
450F97.8Very high96.8Very high9 Ų923.1 Ų23.14%0.03914%0.135CC..Hα-helixtrans-61.3-49.5176.5175.9-102.5000112.7F173 M176 L177 T184 P446 M448 D452 F453 T454F173-F450 HydrophobicContact CD2-CB 4.33Å; F173-F450 HydrophobicContact CE2-CB 3.78Å; F173-F450 HydrophobicContact CE2-CD2 4.45Å; M176-F450 HydrophobicContact CB-CB 4.43Å; M176-F450 HydrophobicContact CB-CD2 3.78Å; M176-F450 HydrophobicContact CB-CE2 4.16Å; M176-F450 HydrophobicContact CB-CG 3.98Å; M176-F450 WeakPolarHBondContact O-CE2 3.47Å; M176-F450 WeakPolarHBondContact O-CZ 3.28Å; M176-F450 HydrophobicContact SD-CB 4.24Å; L177-F450 HydrophobicContact CD2-CD2 3.88Å; L177-F450 HydrophobicContact CD2-CE2 4.13Å; L177-F450 HydrophobicContact CG-CD2 4.29Å; T184-F450 HydrophobicContact CG2-CE1 4.37Å; T184-F450 HydrophobicContact CG2-CZ 3.8Å; P446-F450 VanDerWaalsContact O-CB 3.26Å; P446-F450 WeakPolarHBondContact O-CB 3.33Å; P446-F450 PolarHBondContact O-N 3.29Å; M448-F450 VanDerWaalsContact C-N 3.31Å; M448-F450 PolarHBondContact O-N 3.38Å; F450-D452 VanDerWaalsContact C-N 3.28Å; F450-D452 PolarHBondContact O-N 2.83Å; F450-F453 PolarHBondContact O-N 2.85Å; F450-T454 HydrophobicContact CD2-CG2 4.12Å; F450-T454 HydrophobicContact CE1-CG2 4.3Å; F450-T454 HydrophobicContact CE2-CG2 3.69Å; F450-T454 HydrophobicContact CZ-CG2 3.81Å; F450-T454 WeakPolarHBondContact O-CB 3.33Å; F450-T454 VanDerWaalsContact O-CG2 3.32Å; F450-T454 WeakPolarHBondContact O-CG2 3.26Å; F450-T454 PolarHBondContact O-N 3.39Å; F450-T454 PolarHBondContact O-OG1 3.39Å
451N96.8Very high96Very high71 Ų7123.8 Ų23.838%0.3814%0.143SC..Hα-helixtrans-62.6-39.1178.9-71.1-21.7000111.3A447 M448 T454 A455A447-N451 WeakPolarHBondContact O-CB 3.41Å; A447-N451 PolarHBondContact O-N 3.44Å; A447-N451 PolarHBondContact O-ND2 3.08Å; M448-N451 PolarHBondContact O-N 2.82Å; N451-T454 PolarHBondContact O-OG1 3.46Å; N451-A455 VanDerWaalsContact O-CB 3.26Å; N451-A455 WeakPolarHBondContact O-CB 3.41Å; N451-A455 PolarHBondContact O-N 2.83Å; N451-A455 VanDerWaalsContact O-N 3.07Å
452D97.8Very high95.5Very high6 Ų626.7 Ų26.73%0.03216%0.158CC..Hα-helixtrans-66.1-51.2177.5-164.775.1000112.5H257 A407 H430 M432 F434 M448 L449 F450 T454 A455 F456H257-D452 IonicContact CD2-OD2 3.5Å; H257-D452 IonicContact CE1-OD2 2.74Å; H257-D452 IonicContact NE2-OD2 3.86Å; H257-D452 PolarHBondContact NE2-OD2 3.46Å; A407-D452 WeakPolarHBondContact CB-OD2 3.48Å; H430-D452 IonicContact CD2-OD1 3.6Å; H430-D452 IonicContact CD2-OD2 3.67Å; H430-D452 IonicContact CE1-OD1 2.69Å; H430-D452 IonicContact NE2-OD1 3.59Å; H430-D452 PolarHBondContact NE2-OD1 2.71Å; H430-D452 VanDerWaalsContact NE2-OD1 3.08Å; H430-D452 IonicContact NE2-OD2 3.43Å; M432-D452 WeakPolarHBondContact CB-OD1 3.36Å; M432-D452 WeakPolarHBondContact CG-OD1 3.36Å; F434-D452 HydrophobicContact CE2-CB 4.26Å; F434-D452 HydrophobicContact CZ-CB 3.99Å; M448-D452 WeakPolarHBondContact O-CB 3.27Å; M448-D452 PolarHBondContact O-N 3.34Å; L449-D452 PolarHBondContact O-N 2.86Å; F450-D452 VanDerWaalsContact C-N 3.28Å; F450-D452 PolarHBondContact O-N 2.83Å; D452-T454 VanDerWaalsContact C-N 3.34Å; D452-T454 PolarHBondContact O-N 2.88Å; D452-A455 PolarHBondContact O-N 3.26Å; D452-F456 PolarHBondContact O-N 2.86Å
453F98.1Very high94.5Very high0 Ų030.3 Ų30.30%017%0.174CC..Hα-helixtrans-58.9-45.7-179.9173.5-114.4000111.5L157 L177 F188 F231 Q233 H257 L449 F450 A455 F456 V457L157-F453 HydrophobicContact CD1-CE1 4.34Å; L157-F453 HydrophobicContact CD1-CE2 4.23Å; L157-F453 HydrophobicContact CD1-CZ 3.69Å; L157-F453 HydrophobicContact CD2-CD1 4.49Å; L157-F453 HydrophobicContact CD2-CE1 3.62Å; L157-F453 HydrophobicContact CD2-CZ 3.84Å; L157-F453 HydrophobicContact CG-CZ 4.36Å; L177-F453 HydrophobicContact CD2-CD1 3.79Å; L177-F453 HydrophobicContact CD2-CE1 3.94Å; F188-F453 HydrophobicContact CD1-CE1 4.01Å; F188-F453 HydrophobicContact CD1-CZ 4.28Å; F188-F453 HydrophobicContact CD2-CE1 4Å; F188-F453 AromaticContact CE1-CE1 3.63Å; F188-F453 HydrophobicContact CE1-CE1 3.63Å; F188-F453 AromaticContact CE1-CZ 3.84Å; F188-F453 HydrophobicContact CE1-CZ 3.84Å; F188-F453 HydrophobicContact CE2-CD1 4.21Å; F188-F453 AromaticContact CE2-CE1 3.64Å; F188-F453 HydrophobicContact CE2-CE1 3.64Å; F188-F453 HydrophobicContact CG-CE1 4.19Å; F188-F453 HydrophobicContact CZ-CD1 4.25Å; F188-F453 AromaticContact CZ-CE1 3.44Å; F188-F453 HydrophobicContact CZ-CE1 3.44Å; F188-F453 VanDerWaalsContact CZ-CE1 3.44Å; F188-F453 HydrophobicContact CZ-CZ 4.04Å; F231-F453 HydrophobicContact CB-CZ 4.19Å; F231-F453 HydrophobicContact CG-CZ 4.37Å; Q233-F453 HydrophobicContact CB-CD2 4.49Å; Q233-F453 HydrophobicContact CB-CE2 4.42Å; Q233-F453 HydrophobicContact CG-CD2 4.34Å; H257-F453 HydrophobicContact CB-CD2 3.66Å; H257-F453 HydrophobicContact CB-CE2 4.02Å; H257-F453 AromaticContact CG-CD2 3.74Å; L449-F453 VanDerWaalsContact O-CB 3.28Å; L449-F453 WeakPolarHBondContact O-CB 3.31Å; L449-F453 PolarHBondContact O-N 2.86Å; F450-F453 PolarHBondContact O-N 2.85Å; F453-A455 PolarHBondContact O-N 3.39Å; F453-F456 HydrophobicContact CD2-CD1 4.21Å; F453-F456 HydrophobicContact CE2-CD1 4.29Å; F453-F456 WeakPolarHBondContact O-CB 3.31Å; F453-F456 PolarHBondContact O-N 2.85Å; F453-V457 HydrophobicContact CD2-CG2 4.39Å; F453-V457 PolarHBondContact O-N 2.89Å; F453-V457 WeakPolarHBondContact O-CG2 3.3Å; F453-V457 HydrophobicContact CZ-CG2 3.76Å; F453-V457 HydrophobicContact CE2-CG2 3.91Å; F453-V457 HydrophobicContact CE1-CG2 4.14Å
454T96.1Very high92.7Very high8 Ų833.1 Ų33.15%0.04921%0.206CC..Hα-helixtrans-68.3-34178.854.30000112.6T184 F188 F450 N451 D452 F456 V457 G458T184-T454 HydrophobicContact CG2-CG2 3.82Å; F188-T454 HydrophobicContact CE2-CG2 4.08Å; F450-T454 HydrophobicContact CD2-CG2 4.12Å; F450-T454 HydrophobicContact CE1-CG2 4.3Å; F450-T454 HydrophobicContact CE2-CG2 3.69Å; F450-T454 HydrophobicContact CZ-CG2 3.81Å; F450-T454 WeakPolarHBondContact O-CB 3.33Å; F450-T454 VanDerWaalsContact O-CG2 3.32Å; F450-T454 WeakPolarHBondContact O-CG2 3.26Å; F450-T454 PolarHBondContact O-N 3.39Å; F450-T454 PolarHBondContact O-OG1 3.39Å; N451-T454 PolarHBondContact O-OG1 3.46Å; D452-T454 VanDerWaalsContact C-N 3.34Å; D452-T454 PolarHBondContact O-N 2.88Å; T454-F456 VanDerWaalsContact C-N 3.34Å; T454-V457 PolarHBondContact O-N 3.4Å; T454-G458 PolarHBondContact O-N 3.29Å
455A95.9Very high91.1Very high47 Ų4735.4 Ų35.439%0.38822%0.217SC..Hα-helixtrans-67.9-32.3172.100000112.6N451 D452 F453 K459N451-A455 VanDerWaalsContact O-CB 3.26Å; N451-A455 WeakPolarHBondContact O-CB 3.41Å; N451-A455 PolarHBondContact O-N 2.83Å; N451-A455 VanDerWaalsContact O-N 3.07Å; D452-A455 PolarHBondContact O-N 3.26Å; F453-A455 PolarHBondContact O-N 3.39Å; A455-K459 WeakPolarHBondContact O-CG 3.36Å; A455-K459 PolarHBondContact O-N 3.36Å
456F97.6Very high88.8Confident0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-64.6-48.1168.6159.2-112.8000111.6F231 Y256 H257 P403 M404 G405 T429 H430 D452 F453 T454 G458 K459 I460F231-F456 HydrophobicContact CD1-CE1 4.36Å; F231-F456 HydrophobicContact CE1-CE1 4.33Å; Y256-F456 VanDerWaalsContact O-CZ 3.29Å; Y256-F456 WeakPolarHBondContact O-CZ 3.49Å; H257-F456 HydrophobicContact CB-CD1 3.86Å; H257-F456 HydrophobicContact CB-CE1 3.89Å; H257-F456 AromaticContact CD2-CD1 3.91Å; P403-F456 HydrophobicContact CB-CE2 4.39Å; P403-F456 WeakPolarHBondContact O-CZ 3.35Å; M404-F456 VanDerWaalsContact C-CE2 3.41Å; G405-F456 VanDerWaalsContact N-CE2 3.26Å; T429-F456 WeakPolarHBondContact OG1-CE2 3.37Å; H430-F456 HydrophobicContact CB-CB 3.77Å; H430-F456 HydrophobicContact CB-CD2 3.61Å; H430-F456 HydrophobicContact CB-CG 4.14Å; H430-F456 PolarHBondContact ND1-N 3.48Å; D452-F456 PolarHBondContact O-N 2.86Å; F453-F456 HydrophobicContact CD2-CD1 4.21Å; F453-F456 HydrophobicContact CE2-CD1 4.29Å; F453-F456 WeakPolarHBondContact O-CB 3.31Å; F453-F456 PolarHBondContact O-N 2.85Å; T454-F456 VanDerWaalsContact C-N 3.34Å; F456-G458 VanDerWaalsContact C-N 3.34Å; F456-G458 PolarHBondContact O-N 2.91Å; F456-K459 WeakPolarHBondContact O-CB 3.36Å; F456-K459 PolarHBondContact O-N 3.49Å; F456-I460 PolarHBondContact O-N 3.22Å; F456-I460 HydrophobicContact CZ-CG1 4.4Å; F456-I460 HydrophobicContact CZ-CD1 3.61Å; F456-I460 HydrophobicContact CE2-CD1 3.84Å; F456-I460 HydrophobicContact CE1-CD1 3.96Å; F456-I460 HydrophobicContact CD2-CD1 4.42Å; F456-I460 HydrophobicContact CE2-CG1 4.13Å
457V96.5Very high86.6Confident0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-57.8-45.4-179.61710000111.5Y186 F188 F231 F453 T454 K459 I460Y186-V457 HydrophobicContact CD1-CG1 3.6Å; Y186-V457 HydrophobicContact CD2-CG1 3.95Å; Y186-V457 HydrophobicContact CE1-CG1 3.82Å; Y186-V457 HydrophobicContact CE2-CG1 4.2Å; Y186-V457 HydrophobicContact CG-CG1 3.66Å; F188-V457 HydrophobicContact CE1-CG1 4.41Å; F188-V457 HydrophobicContact CE1-CG2 4.07Å; F188-V457 HydrophobicContact CZ-CB 4.36Å; F188-V457 HydrophobicContact CZ-CG1 4.17Å; F188-V457 HydrophobicContact CZ-CG2 3.87Å; F231-V457 HydrophobicContact CD1-CG2 4.33Å; F231-V457 HydrophobicContact CE1-CG2 3.94Å; F231-V457 HydrophobicContact CE2-CG1 4.13Å; F231-V457 HydrophobicContact CE2-CG2 4.28Å; F231-V457 HydrophobicContact CZ-CB 4.35Å; F231-V457 HydrophobicContact CZ-CG1 3.85Å; F231-V457 HydrophobicContact CZ-CG2 3.89Å; F453-V457 HydrophobicContact CD2-CG2 4.39Å; F453-V457 PolarHBondContact O-N 2.89Å; F453-V457 WeakPolarHBondContact O-CG2 3.3Å; F453-V457 HydrophobicContact CZ-CG2 3.76Å; F453-V457 HydrophobicContact CE2-CG2 3.91Å; F453-V457 HydrophobicContact CE1-CG2 4.14Å; T454-V457 PolarHBondContact O-N 3.4Å; V457-K459 VanDerWaalsContact C-N 3.3Å; V457-K459 PolarHBondContact O-N 2.96Å; V457-I460 PolarHBondContact O-N 2.93Å
458G94.4Very high84.2Confident15 Ų1561.3 Ų61.316%0.15531%0.311CS..Hα-helixtrans-59.6-36.9175.600000113.5T454 F456 I460 G461 E465T454-G458 PolarHBondContact O-N 3.29Å; F456-G458 VanDerWaalsContact C-N 3.34Å; F456-G458 PolarHBondContact O-N 2.91Å; G458-I460 PolarHBondContact O-N 3.32Å; G458-G461 PolarHBondContact O-N 2.89Å; G458-E465 VanDerWaalsContact O-OE2 3.11Å
459K94.3Very high83.5Confident97 Ų9761.7 Ų61.742%0.42231%0.314SS..Hα-helixtrans-67.7-19179.1-74.1179.2-174.3175.50114.3T429 H430 A455 F456 V457 G461T429-K459 WeakPolarHBondContact O-CD 3.49Å; H430-K459 HydrophobicContact CB-CD 4.2Å; H430-K459 PolarHBondContact ND1-NZ 2.97Å; A455-K459 WeakPolarHBondContact O-CG 3.36Å; A455-K459 PolarHBondContact O-N 3.36Å; F456-K459 WeakPolarHBondContact O-CB 3.36Å; F456-K459 PolarHBondContact O-N 3.49Å; V457-K459 VanDerWaalsContact C-N 3.3Å; V457-K459 PolarHBondContact O-N 2.96Å; K459-G461 VanDerWaalsContact C-N 3.26Å; K459-G461 PolarHBondContact O-N 2.91Å
460I92.6Very high82.7Confident15 Ų1564.9 Ų64.98%0.07733%0.33CS..Hα-helixtrans-70.7-27.1177.7-65.3169.5000111.1F231 P403 F456 V457 G458 L462F231-I460 HydrophobicContact CE1-CD1 3.47Å; F231-I460 VanDerWaalsContact CE1-CD1 3.47Å; F231-I460 HydrophobicContact CZ-CD1 4.02Å; P403-I460 HydrophobicContact CB-CD1 4.08Å; P403-I460 HydrophobicContact CB-CG1 3.9Å; P403-I460 HydrophobicContact CG-CG1 4.4Å; P403-I460 HydrophobicContact CG-CG2 4.33Å; F456-I460 PolarHBondContact O-N 3.22Å; F456-I460 HydrophobicContact CZ-CG1 4.4Å; F456-I460 HydrophobicContact CZ-CD1 3.61Å; F456-I460 HydrophobicContact CE2-CD1 3.84Å; F456-I460 HydrophobicContact CE1-CD1 3.96Å; F456-I460 HydrophobicContact CD2-CD1 4.42Å; F456-I460 HydrophobicContact CE2-CG1 4.13Å; V457-I460 PolarHBondContact O-N 2.93Å; G458-I460 PolarHBondContact O-N 3.32Å; I460-L462 HydrophobicContact CB-CG 4.42Å; I460-L462 HydrophobicContact CG2-CD2 3.67Å; I460-L462 HydrophobicContact CG2-CG 3.88Å
461G81.6Confident81.9Confident19 Ų1968.1 Ų68.120%0.19635%0.346CS..  trans73.741.8174.200000113.9G458 K459 H463G458-G461 PolarHBondContact O-N 2.89Å; K459-G461 VanDerWaalsContact C-N 3.26Å; K459-G461 PolarHBondContact O-N 2.91Å; G461-H463 PolarHBondContact O-N 3.49Å
462L85.9Confident81Confident61 Ų6167.9 Ų67.932%0.31934%0.344SS..THydrogen-bonded Turntrans-65.8-22-176.3-63.7175.6000114Y155 F231 I254 I460Y155-L462 HydrophobicContact CD1-CD1 4.4Å; Y155-L462 HydrophobicContact CE1-CD1 3.76Å; Y155-L462 HydrophobicContact CE2-CD1 3.94Å; Y155-L462 VanDerWaalsContact CZ-CD1 3.5Å; Y155-L462 WeakPolarHBondContact OH-CB 3.25Å; F231-L462 HydrophobicContact CE2-CD1 3.98Å; F231-L462 HydrophobicContact CZ-CD1 3.68Å; I254-L462 HydrophobicContact CG2-CD1 3.72Å; I254-L462 HydrophobicContact CG2-CD2 3.88Å; I254-L462 HydrophobicContact CG2-CG 4.42Å; I460-L462 HydrophobicContact CB-CG 4.42Å; I460-L462 HydrophobicContact CG2-CD2 3.67Å; I460-L462 HydrophobicContact CG2-CG 3.88Å
463H77.9Confident80Confident82 Ų8271.8 Ų71.838%0.3836%0.364SS..THydrogen-bonded Turntrans-118.432.8-177.3-64.7-66.4000114.1H153 Y155 Y186 G461 E465H153-H463 VanDerWaalsContact CB-NE2 3.35Å; H153-H463 WeakPolarHBondContact CB-NE2 3.41Å; H153-H463 AromaticContact CD2-CD2 3.23Å; H153-H463 PolarHBondContact CD2-CD2 3.31Å; H153-H463 AromaticContact CD2-CG 3.86Å; H153-H463 AromaticContact CD2-NE2 3.64Å; H153-H463 AromaticContact CE1-CD2 3.77Å; H153-H463 AromaticContact CE1-CE1 3.88Å; H153-H463 AromaticContact CE1-CG 3.76Å; H153-H463 AromaticContact CE1-ND1 3.84Å; H153-H463 AromaticContact CE1-NE2 3.86Å; H153-H463 AromaticContact CG-CD2 3.29Å; H153-H463 AromaticContact CG-CE1 3.83Å; H153-H463 AromaticContact CG-NE2 3.14Å; H153-H463 AromaticContact ND1-CD2 3.64Å; H153-H463 AromaticContact ND1-CE1 3.51Å; H153-H463 AromaticContact ND1-ND1 3.93Å; H153-H463 AromaticContact ND1-NE2 3.31Å; H153-H463 PolarHBondContact ND1-NE2 3.32Å; H153-H463 AromaticContact NE2-CD2 3.54Å; H153-H463 AromaticContact NE2-CG 3.66Å; Y155-H463 AromaticContact CE2-NE2 3.59Å; Y155-H463 AromaticContact CZ-NE2 3.49Å; Y155-H463 PolarHBondContact OH-CE1 3.4Å; Y155-H463 PolarHBondContact OH-NE2 3.38Å; Y186-H463 AromaticContact CE1-CD2 3.95Å; G461-H463 PolarHBondContact O-N 3.49Å; H463-E465 PolarHBondContact O-N 3.05Å
464G60.2Low78.8Confident72 Ų7276.5 Ų76.574%0.74239%0.388SS*.SBendtrans74.910.1177.900000114K466G464-K466 PolarHBondContact O-N 3.34Å
465E62.3Low77.5Confident76 Ų7681.4 Ų81.436%0.35541%0.412SS..  trans-56.2128163.9-64.5176.7-153.500108.6Y186 G458 H463 R467Y186-E465 PolarHBondContact OH-OE1 3.19Å; G458-E465 VanDerWaalsContact O-OE2 3.11Å; H463-E465 PolarHBondContact O-N 3.05Å; E465-R467 PolarHBondContact O-N 3.44Å; E465-R467 VanDerWaalsContact O-N 3.13Å
466K49.8Very low76.1Confident195 Ų19584.1 Ų84.185%0.84841%0.414SS*.  trans-58.3121.8176.1-74.7-177.3177.4179.50108.1G464 K468G464-K466 PolarHBondContact O-N 3.34Å; K466-K468 PolarHBondContact O-N 3.45Å
467R50.9Low74.3Confident197 Ų19791.1 Ų91.174%0.74345%0.449SS*.  trans-52.7110.8164.9-71.1-175.5-177.8-179.11.3107.2E465E465-R467 PolarHBondContact O-N 3.44Å; E465-R467 VanDerWaalsContact O-N 3.13Å
468K45.5Very low72.3Confident264 Ų26499.4 Ų99.4100%1.14849%0.49SS*.  trans-80.60176.3-80.7-170.9178.8176.70110.7K466K466-K468 PolarHBondContact O-N 3.45Å

Retrieved 468 of 468 residues in 238.6 ms (Link to these results)

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