A0A087Y0A8_POEFO Loading...

AMP deaminase

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession A0A087Y0A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 759 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
1P26.2Very low41.1Very low176 Ų176121.6 Ų121.6100%1.14365%0.651SS**  091.6017.36.4000108.9V3P1-V3 PolarHBondContact O-N 3.41Å
2L27.6Very low42.4Very low177 Ų177116.3 Ų116.393%0.92763%0.626SS**  trans-67.1114.6171.1-75.8152.4000106.4D4L2-D4 PolarHBondContact O-N 3.46Å
3V27.3Very low43.3Very low126 Ų126117.1 Ų117.176%0.76464%0.638SS**  trans-65.7114.2167.5176.40000105P1 M5P1-V3 PolarHBondContact O-N 3.41Å; V3-M5 VanDerWaalsContact C-N 3.34Å; V3-M5 PolarHBondContact O-N 3.04Å
4D30Very low44.1Very low158 Ų158113.8 Ų113.885%0.84562%0.619SS**  trans-53.2101168.2-95.8-30.5000107.3L2L2-D4 PolarHBondContact O-N 3.46Å
5M30.8Very low45.2Very low134 Ų134110.1 Ų110.166%0.6661%0.605SS**PPolyproline II helixtrans-69.4125.8168.9-71-127.2-68.800106.9V3 R7V3-M5 VanDerWaalsContact C-N 3.34Å; V3-M5 PolarHBondContact O-N 3.04Å; M5-R7 PolarHBondContact O-N 3.09Å
6P43.7Very low45.4Very low114 Ų114113.8 Ų113.874%0.7462%0.616SS**PPolyproline II helixtrans-63131.8178.524.4-31.1000109.2Q8P6-Q8 PolarHBondContact O-N 3.17Å
7R47.3Very low45.5Very low137 Ų137110.9 Ų110.952%0.51761%0.612SS.*PPolyproline II helixtrans-46.2125.1173.9-94-174.9168.5-156-5.4110.4M5 F9 D244M5-R7 PolarHBondContact O-N 3.09Å; R7-F9 WeakPolarHBondContact CB-O 3.36Å; R7-F9 PolarHBondContact O-N 2.9Å; R7-D244 IonicContact NH1-OD2 3.97Å; R7-D244 PolarHBondContact NH1-OD2 2.93Å
8Q58Low46.4Very low91 Ų91107.2 Ų107.243%0.42559%0.589SS.*SBendtrans-63.8-25.5178.4-60.2-172.71.800112.4P6 K157 P241P6-Q8 PolarHBondContact O-N 3.17Å; Q8-K157 VanDerWaalsContact O-CE 3.31Å; Q8-K157 WeakPolarHBondContact O-CE 3.3Å; Q8-K157 PolarHBondContact O-NZ 3.33Å; Q8-P241 HydrophobicContact CB-CB 4.3Å
9F57.3Low47.1Very low8 Ų8107.1 Ų107.14%0.03558%0.584CS.*SBendtrans-10999.9161-72.3-84.8000109.9R7 K11 K157 Y158 L161 Y242 P243 T247 M561R7-F9 WeakPolarHBondContact CB-O 3.36Å; R7-F9 PolarHBondContact O-N 2.9Å; F9-K11 PolarHBondContact O-N 3.41Å; F9-K157 HydrophobicContact CE1-CD 4.07Å; F9-K157 VanDerWaalsContact CE1-CE 3.48Å; F9-K157 HydrophobicContact CE1-CG 4.41Å; F9-Y158 HydrophobicContact CE1-CD2 4.27Å; F9-Y158 AromaticContact CE1-CE2 3.88Å; F9-Y158 HydrophobicContact CE1-CE2 3.88Å; F9-Y158 HydrophobicContact CZ-CE2 4.49Å; F9-L161 HydrophobicContact CD2-CD1 4.03Å; F9-L161 HydrophobicContact CE1-CD1 4.35Å; F9-L161 HydrophobicContact CE2-CD1 3.23Å; F9-L161 HydrophobicContact CZ-CD1 3.43Å; F9-L161 VanDerWaalsContact CZ-CD1 3.43Å; F9-Y242 VanDerWaalsContact CD2-C 3.41Å; F9-Y242 WeakPolarHBondContact CD2-O 3.33Å; F9-P243 HydrophobicContact CD1-CB 3.93Å; F9-P243 HydrophobicContact CD2-CB 4.34Å; F9-P243 HydrophobicContact CE1-CB 3.82Å; F9-P243 HydrophobicContact CE1-CG 4.46Å; F9-P243 HydrophobicContact CE2-CB 4.21Å; F9-P243 HydrophobicContact CE2-CG 4.41Å; F9-P243 HydrophobicContact CG-CB 4.19Å; F9-P243 HydrophobicContact CZ-CB 3.96Å; F9-P243 HydrophobicContact CZ-CG 4.17Å; F9-T247 HydrophobicContact CD1-CG2 4.09Å; F9-M561 HydrophobicContact CE2-CE 4.45Å; F9-M561 HydrophobicContact CE2-SD 4.17Å
10P52.5Low47.6Very low77 Ų77110.2 Ų110.250%0.559%0.592SS.*  trans-61.5131.9176.524.7-31.6000109.2V12P10-V12 PolarHBondContact O-N 3.09Å; P10-V12 VanDerWaalsContact O-N 3.15Å
11K51.6Low48.4Very low140 Ų140109.5 Ų109.561%0.60958%0.583SS**  trans-67.4113.9180-166.5177-177-178.90108.9F9F9-K11 PolarHBondContact O-N 3.41Å
12V57Low50.1Low57 Ų57102.1 Ų102.135%0.34553%0.533SS..PPolyproline II helixtrans-85.5133.8176.7-173.70000109.1P10 I250P10-V12 PolarHBondContact O-N 3.09Å; P10-V12 VanDerWaalsContact O-N 3.15Å; V12-I250 HydrophobicContact CB-CD1 3.85Å; V12-I250 HydrophobicContact CG1-CD1 3.78Å
13T53.3Low51.8Low127 Ų12798.7 Ų98.778%0.77952%0.516SS*.PPolyproline II helixtrans-99.1125.8176.1-33.70000107.9S15T13-S15 PolarHBondContact O-N 3.39Å
14L55.5Low53.5Low71 Ų7196.6 Ų96.637%0.37250%0.5SS..PPolyproline II helixtrans-60.7127.9-174.5-71.5162.4000111.9E18 I250 Y533L14-E18 VanDerWaalsContact CA-OE2 3.23Å; L14-E18 WeakPolarHBondContact CA-OE2 3.45Å; L14-I250 HydrophobicContact CD2-CD1 3.8Å; L14-I250 HydrophobicContact CD2-CG1 3.89Å; L14-Y533 HydrophobicContact CD1-CD1 4.12Å; L14-Y533 HydrophobicContact CD1-CD2 3.9Å; L14-Y533 HydrophobicContact CD1-CE1 3.84Å; L14-Y533 HydrophobicContact CD1-CE2 3.62Å; L14-Y533 HydrophobicContact CD1-CG 4.15Å; L14-Y533 HydrophobicContact CD2-CE1 4.4Å
15S60.3Low55.3Low59 Ų5989.1 Ų89.141%0.41346%0.46SS..  trans-106.8159.217670.80000112.3T13 A17 E18 E19T13-S15 PolarHBondContact O-N 3.39Å; S15-A17 PolarHBondContact O-N 3.4Å; S15-A17 VanDerWaalsContact O-N 3.12Å; S15-E18 PolarHBondContact N-OE2 3.03Å; S15-E18 WeakPolarHBondContact O-CB 3.46Å; S15-E18 PolarHBondContact O-N 2.78Å; S15-E18 PolarHBondContact OG-OE2 2.74Å; S15-E19 PolarHBondContact O-N 3.49Å
16E48.3Very low57.1Low168 Ų16887.1 Ų87.179%0.78545%0.449SS*.Hα-helixtrans-58.6-25.7178.4-67.9-177.8166.900113.9E18 E19 K20E16-E18 VanDerWaalsContact C-N 3.32Å; E16-E19 PolarHBondContact O-N 3.19Å; E16-K20 PolarHBondContact O-N 3.44Å
17A47.6Very low58.3Low66 Ų6688.6 Ų88.655%0.54544%0.444SS..Hα-helixtrans-70.3-29.617600000112.4S15 K21S15-A17 PolarHBondContact O-N 3.4Å; S15-A17 VanDerWaalsContact O-N 3.12Å; A17-K21 PolarHBondContact O-N 2.96Å
18E60.1Low59.1Low44 Ų4483.4 Ų83.421%0.20643%0.427CS..Hα-helixtrans-76-30.9177.2-68.4164.1152.900111.3L14 S15 E16 K20 K21 Q22L14-E18 VanDerWaalsContact CA-OE2 3.23Å; L14-E18 WeakPolarHBondContact CA-OE2 3.45Å; S15-E18 PolarHBondContact N-OE2 3.03Å; S15-E18 WeakPolarHBondContact O-CB 3.46Å; S15-E18 PolarHBondContact O-N 2.78Å; S15-E18 PolarHBondContact OG-OE2 2.74Å; E16-E18 VanDerWaalsContact C-N 3.32Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.45Å; E18-K21 PolarHBondContact O-N 2.89Å; E18-Q22 WeakPolarHBondContact O-CB 3.46Å; E18-Q22 PolarHBondContact O-N 3.15Å
19E61.1Low59.5Low105 Ų10580.7 Ų80.749%0.49141%0.413SS..Hα-helixtrans-63.6-37.7172.3-66-166.5149.800112.3S15 E16 Q22 L23S15-E19 PolarHBondContact O-N 3.49Å; E16-E19 PolarHBondContact O-N 3.19Å; E19-Q22 WeakPolarHBondContact O-CB 3.33Å; E19-Q22 PolarHBondContact O-N 3.44Å; E19-L23 PolarHBondContact O-N 2.92Å
20K56.4Low59.9Low168 Ų16882.2 Ų82.273%0.7343%0.428SS*.Hα-helixtrans-66.9-37.8173.8-73.1-177.1-177.7173.40112.6E16 E18 Q22 L23 L24E16-K20 PolarHBondContact O-N 3.44Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.45Å; K20-Q22 VanDerWaalsContact C-N 3.29Å; K20-L23 PolarHBondContact O-N 3.25Å; K20-L24 PolarHBondContact O-N 3.21Å
21K63.9Low60.6Low96 Ų9681.9 Ų81.942%0.41742%0.424SS..Hα-helixtrans-64-37.5172.4-72.5-174.9178.1-1770110.8A17 E18 L23 L24 V25 E254A17-K21 PolarHBondContact O-N 2.96Å; E18-K21 PolarHBondContact O-N 2.89Å; K21-L23 PolarHBondContact O-N 3.47Å; K21-L24 WeakPolarHBondContact O-CB 3.2Å; K21-L24 PolarHBondContact O-N 2.96Å; K21-V25 WeakPolarHBondContact O-CG2 3.43Å; K21-V25 PolarHBondContact O-N 3.4Å; K21-E254 IonicContact NZ-OE1 3.66Å
22Q62.9Low61Low21 Ų2175.9 Ų75.910%0.09840%0.4CS..Hα-helixtrans-62.8-38.9178.8-164.8162.710.100112.9E18 E19 K20 L24 V25 E26E18-Q22 WeakPolarHBondContact O-CB 3.46Å; E18-Q22 PolarHBondContact O-N 3.15Å; E19-Q22 WeakPolarHBondContact O-CB 3.33Å; E19-Q22 PolarHBondContact O-N 3.44Å; K20-Q22 VanDerWaalsContact C-N 3.29Å; Q22-L24 VanDerWaalsContact C-N 3.28Å; Q22-L24 PolarHBondContact O-N 3.38Å; Q22-V25 WeakPolarHBondContact O-CB 3.45Å; Q22-V25 PolarHBondContact O-N 3.33Å; Q22-V25 VanDerWaalsContact O-N 3.16Å; Q22-E26 WeakPolarHBondContact O-CG 3.35Å; Q22-E26 PolarHBondContact O-N 3.39Å
23L63.7Low61.2Low105 Ų10575.5 Ų75.555%0.5540%0.396SS..Hα-helixtrans-61.8-33.7172.2-77.3162.5000113.2E19 K20 K21 K27E19-L23 PolarHBondContact O-N 2.92Å; K20-L23 PolarHBondContact O-N 3.25Å; K21-L23 PolarHBondContact O-N 3.47Å; L23-K27 WeakPolarHBondContact O-CG 3.34Å; L23-K27 PolarHBondContact O-N 3.39Å
24L62.2Low61.5Low82 Ų8276.1 Ų76.143%0.42939%0.388SS..Hα-helixtrans-70.2-40.5174.3-169.773.6000110.8K20 K21 Q22 K27 V28 A257K20-L24 PolarHBondContact O-N 3.21Å; K21-L24 WeakPolarHBondContact O-CB 3.2Å; K21-L24 PolarHBondContact O-N 2.96Å; Q22-L24 VanDerWaalsContact C-N 3.28Å; Q22-L24 PolarHBondContact O-N 3.38Å; L24-K27 WeakPolarHBondContact O-CB 3.4Å; L24-K27 PolarHBondContact O-N 3.39Å; L24-V28 WeakPolarHBondContact O-CG2 3.41Å; L24-V28 PolarHBondContact O-N 2.92Å; L24-A257 HydrophobicContact CD2-CB 4.07Å
25V66.8Low61.6Low2 Ų279.2 Ų79.21%0.01240%0.401CS..Hα-helixtrans-62.2-44.1175.4173.80000111.3K21 Q22 K27 V28 Y29 S253 L256 A257 M530K21-V25 WeakPolarHBondContact O-CG2 3.43Å; K21-V25 PolarHBondContact O-N 3.4Å; Q22-V25 WeakPolarHBondContact O-CB 3.45Å; Q22-V25 PolarHBondContact O-N 3.33Å; Q22-V25 VanDerWaalsContact O-N 3.16Å; V25-K27 VanDerWaalsContact C-N 3.27Å; V25-K27 PolarHBondContact O-N 3.47Å; V25-V28 PolarHBondContact O-N 2.92Å; V25-V28 VanDerWaalsContact O-N 3.16Å; V25-Y29 WeakPolarHBondContact O-CB 3.34Å; V25-Y29 PolarHBondContact O-N 3.47Å; V25-S253 WeakPolarHBondContact CG2-O 3.24Å; V25-L256 HydrophobicContact CG1-CB 3.98Å; V25-L256 HydrophobicContact CG1-CD1 3.6Å; V25-L256 HydrophobicContact CG1-CG 4.41Å; V25-L256 HydrophobicContact CG2-CB 3.94Å; V25-A257 HydrophobicContact CG2-CB 4.4Å; V25-M530 HydrophobicContact CG1-CE 4.43Å; V25-M530 HydrophobicContact CG1-SD 4.14Å
26E70Confident61.1Low92 Ų9277.9 Ų77.943%0.4339%0.388SS..Hα-helixtrans-59.9-37.8174.5-74.1177.6179.900111.9Q22 A30 M530Q22-E26 WeakPolarHBondContact O-CG 3.35Å; Q22-E26 PolarHBondContact O-N 3.39Å; E26-A30 VanDerWaalsContact O-CB 3.23Å; E26-A30 WeakPolarHBondContact O-CB 3.4Å; E26-A30 PolarHBondContact O-N 3.47Å; E26-M530 HydrophobicContact CG-CE 3.77Å
27K67.6Low61Low145 Ų14574.6 Ų74.663%0.6338%0.376SS*.Hα-helixtrans-65.5-45.4173.1-75.1176.4-179.5179.60112.2L23 L24 V25 Y29 A30 T31L23-K27 WeakPolarHBondContact O-CG 3.34Å; L23-K27 PolarHBondContact O-N 3.39Å; L24-K27 WeakPolarHBondContact O-CB 3.4Å; L24-K27 PolarHBondContact O-N 3.39Å; V25-K27 VanDerWaalsContact C-N 3.27Å; V25-K27 PolarHBondContact O-N 3.47Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 2.71Å; K27-A30 PolarHBondContact O-N 2.92Å; K27-T31 PolarHBondContact O-N 3.47Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-T31 VanDerWaalsContact O-OG1 3.08Å
28V66Low60.7Low27 Ų2776.3 Ų76.316%0.16438%0.376CS..Hα-helixtrans-61.2-43.1177.2173.10000110.5L24 V25 T31 A32L24-V28 WeakPolarHBondContact O-CG2 3.41Å; L24-V28 PolarHBondContact O-N 2.92Å; V25-V28 PolarHBondContact O-N 2.92Å; V25-V28 VanDerWaalsContact O-N 3.16Å; V28-T31 PolarHBondContact O-N 2.77Å; V28-A32 WeakPolarHBondContact O-CB 3.39Å; V28-A32 PolarHBondContact O-N 3.41Å
29Y65.5Low59.9Low34 Ų3481.4 Ų81.413%0.13339%0.393CS..Hα-helixtrans-62.9-46.4175.4-167.1-99.9000111.7V25 K27 T31 A32 L33 S527 M530 T588V25-Y29 WeakPolarHBondContact O-CB 3.34Å; V25-Y29 PolarHBondContact O-N 3.47Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 2.71Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 2.65Å; Y29-A32 WeakPolarHBondContact O-CB 3.01Å; Y29-A32 PolarHBondContact O-N 3.32Å; Y29-L33 HydrophobicContact CD1-CD1 3.7Å; Y29-L33 HydrophobicContact CD1-CG 4.19Å; Y29-L33 HydrophobicContact CE1-CD1 3.52Å; Y29-L33 HydrophobicContact CE1-CD2 4.35Å; Y29-L33 HydrophobicContact CE1-CG 4.02Å; Y29-L33 WeakPolarHBondContact O-CG 3.43Å; Y29-L33 PolarHBondContact O-N 3.44Å; Y29-S527 PolarHBondContact OH-O 2.68Å; Y29-M530 HydrophobicContact CD1-CB 4Å; Y29-M530 HydrophobicContact CD1-CG 4.16Å; Y29-M530 HydrophobicContact CD1-SD 4.06Å; Y29-M530 HydrophobicContact CD2-CB 4.37Å; Y29-M530 HydrophobicContact CD2-CG 3.79Å; Y29-M530 HydrophobicContact CD2-SD 3.89Å; Y29-M530 HydrophobicContact CE1-CB 3.79Å; Y29-M530 HydrophobicContact CE1-CG 4.27Å; Y29-M530 HydrophobicContact CE2-CB 4.2Å; Y29-M530 HydrophobicContact CE2-CG 3.92Å; Y29-M530 HydrophobicContact CG-CB 4.29Å; Y29-M530 HydrophobicContact CG-CG 3.92Å; Y29-M530 HydrophobicContact CG-SD 3.59Å; Y29-M530 VanDerWaalsContact CG-SD 3.59Å; Y29-T588 HydrophobicContact CD2-CG2 3.9Å; Y29-T588 HydrophobicContact CE2-CG2 4.24Å
30A66.1Low58.8Low41 Ų4181.2 Ų81.234%0.33940%0.395SS..Hα-helixtrans-64-35.8177.400000112.9E26 K27 K34E26-A30 VanDerWaalsContact O-CB 3.23Å; E26-A30 WeakPolarHBondContact O-CB 3.4Å; E26-A30 PolarHBondContact O-N 3.47Å; K27-A30 PolarHBondContact O-N 2.92Å; A30-K34 WeakPolarHBondContact O-CB 3.31Å; A30-K34 WeakPolarHBondContact O-CG 3.49Å; A30-K34 PolarHBondContact O-N 3.36Å
31T65.8Low57.5Low70 Ų7076.4 Ų76.443%0.42938%0.38SS..Hα-helixtrans-67.4-43172.6-61.50000111.1K27 V28 Y29 L33 K34 E35K27-T31 PolarHBondContact O-N 3.47Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-T31 VanDerWaalsContact O-OG1 3.08Å; V28-T31 PolarHBondContact O-N 2.77Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 2.65Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 3.16Å; T31-K34 PolarHBondContact O-N 2.92Å; T31-E35 HydrophobicContact CG2-CG 4.34Å; T31-E35 PolarHBondContact O-N 3.45Å
32A61.4Low55.8Low13 Ų1377.4 Ų77.411%0.10739%0.39CS..Hα-helixtrans-60.9-3817600000112V28 Y29 E36V28-A32 WeakPolarHBondContact O-CB 3.39Å; V28-A32 PolarHBondContact O-N 3.41Å; Y29-A32 WeakPolarHBondContact O-CB 3.01Å; Y29-A32 PolarHBondContact O-N 3.32Å; A32-E36 WeakPolarHBondContact O-CG 3.49Å
33L61.5Low54.4Low50 Ų5080.1 Ų80.126%0.26241%0.411SS..Hα-helixtrans-66.2-44.8173-70.2174.1000112.1Y29 T31 E36 D37Y29-L33 HydrophobicContact CD1-CD1 3.7Å; Y29-L33 HydrophobicContact CD1-CG 4.19Å; Y29-L33 HydrophobicContact CE1-CD1 3.52Å; Y29-L33 HydrophobicContact CE1-CD2 4.35Å; Y29-L33 HydrophobicContact CE1-CG 4.02Å; Y29-L33 WeakPolarHBondContact O-CG 3.43Å; Y29-L33 PolarHBondContact O-N 3.44Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 3.16Å; L33-E36 PolarHBondContact O-N 2.98Å; L33-D37 PolarHBondContact O-N 3.33Å
34K58.3Low52.8Low139 Ų13981.7 Ų81.760%0.60442%0.417SS*.Hα-helixtrans-65.8-41.9-179-77.7176.9178.3-175.70113.9A30 T31 E36 D37 D38A30-K34 WeakPolarHBondContact O-CB 3.31Å; A30-K34 WeakPolarHBondContact O-CG 3.49Å; A30-K34 PolarHBondContact O-N 3.36Å; T31-K34 PolarHBondContact O-N 2.92Å; K34-E36 PolarHBondContact O-N 2.89Å; K34-D37 PolarHBondContact O-N 3.1Å; K34-D38 PolarHBondContact O-N 2.99Å; K34-D38 VanDerWaalsContact O-N 3.11Å
35E57.1Low51.2Low137 Ų13786.2 Ų86.264%0.6443%0.433SS*.Hα-helixtrans-63.8-22177-74.5-178.3-17700112.4T31T31-E35 HydrophobicContact CG2-CG 4.34Å; T31-E35 PolarHBondContact O-N 3.45Å
36E51.3Low49.4Very low30 Ų3090.2 Ų90.214%0.1446%0.462CS..Hα-helixtrans-88.8-38.5176.8-70.7-175.8175.300112.5A32 L33 K34 D38 R39 D40 H526 G585A32-E36 WeakPolarHBondContact O-CG 3.49Å; L33-E36 PolarHBondContact O-N 2.98Å; K34-E36 PolarHBondContact O-N 2.89Å; E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.63Å; E36-R39 WeakPolarHBondContact O-CA 3.45Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 PolarHBondContact O-N 2.94Å; E36-D40 PolarHBondContact O-N 3.39Å; E36-H526 IonicContact OE2-CD2 2.77Å; E36-H526 PolarHBondContact OE2-CD2 2.98Å; E36-H526 IonicContact OE2-CE1 3.52Å; E36-H526 IonicContact OE2-NE2 3.95Å; E36-H526 PolarHBondContact OE2-NE2 3.46Å; E36-G585 VanDerWaalsContact OE1-O 3.09Å
37D46.4Very low47.4Very low99 Ų9992.3 Ų92.353%0.52948%0.48SS..Hα-helixtrans-60.7-39171.8-78-21.7000112.4L33 K34 R39 D40 T41L33-D37 PolarHBondContact O-N 3.33Å; K34-D37 PolarHBondContact O-N 3.1Å; D37-R39 PolarHBondContact O-N 3.44Å; D37-D40 PolarHBondContact O-N 3.48Å; D37-T41 PolarHBondContact O-N 3.46Å; D37-T41 PolarHBondContact O-OG1 3.24Å; D37-T41 VanDerWaalsContact O-OG1 3.1Å
38D41Very low45.6Very low103 Ų10390.5 Ų90.555%0.55149%0.486SS*.Hα-helixtrans-65.5-24.9174.6-80.8-16.1000111.9K34 E36 T41 L42K34-D38 PolarHBondContact O-N 2.99Å; K34-D38 VanDerWaalsContact O-N 3.11Å; E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.63Å; D38-T41 VanDerWaalsContact C-OG1 3.32Å; D38-T41 VanDerWaalsContact CA-OG1 3.29Å; D38-T41 WeakPolarHBondContact CA-OG1 3.49Å; D38-T41 PolarHBondContact O-OG1 2.94Å; D38-L42 VanDerWaalsContact O-CB 3.32Å; D38-L42 WeakPolarHBondContact O-CB 3.39Å; D38-L42 WeakPolarHBondContact O-CD1 3.31Å; D38-L42 VanDerWaalsContact O-CG 3.32Å; D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 3.01Å
39R43.4Very low44Very low151 Ų15198 Ų9857%0.5752%0.519SS*.Hα-helixtrans-77.2-40.6177.6-125.1-175.8-161.6-154.7-0.9112.3E36 D37 T41 L42 S43E36-R39 WeakPolarHBondContact O-CA 3.45Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 PolarHBondContact O-N 2.94Å; D37-R39 PolarHBondContact O-N 3.44Å; R39-T41 VanDerWaalsContact C-N 3.26Å; R39-T41 PolarHBondContact O-N 2.82Å; R39-L42 PolarHBondContact O-N 3.3Å; R39-S43 WeakPolarHBondContact O-CB 3.48Å; R39-S43 PolarHBondContact O-N 2.9Å
40D36.6Very low42.4Very low100 Ų100103.8 Ų103.854%0.53555%0.553SS.*Hα-helixtrans-65.7-32.3174.9-85.9-11.1000111.5E36 D37 M44E36-D40 PolarHBondContact O-N 3.39Å; D37-D40 PolarHBondContact O-N 3.48Å; D40-M44 WeakPolarHBondContact O-CE 3.19Å; D40-M44 PolarHBondContact O-N 3.13Å
41T30.3Very low40.4Very low68 Ų68107.1 Ų107.142%0.41757%0.573SS.*Hα-helixtrans-75.5-41.1172.948.40000113D37 D38 R39 M44 F45D37-T41 PolarHBondContact O-N 3.46Å; D37-T41 PolarHBondContact O-OG1 3.24Å; D37-T41 VanDerWaalsContact O-OG1 3.1Å; D38-T41 VanDerWaalsContact C-OG1 3.32Å; D38-T41 VanDerWaalsContact CA-OG1 3.29Å; D38-T41 WeakPolarHBondContact CA-OG1 3.49Å; D38-T41 PolarHBondContact O-OG1 2.94Å; R39-T41 VanDerWaalsContact C-N 3.26Å; R39-T41 PolarHBondContact O-N 2.82Å; T41-M44 PolarHBondContact O-N 3.1Å; T41-F45 VanDerWaalsContact O-CD2 3.28Å; T41-F45 WeakPolarHBondContact O-CD2 3.46Å
42L28.5Very low38.8Very low117 Ų117109.9 Ų109.961%0.61359%0.591SS**Hα-helixtrans-69.5-30.1175-79.3160.7000113.6D38 R39 M44 F45 S46D38-L42 VanDerWaalsContact O-CB 3.32Å; D38-L42 WeakPolarHBondContact O-CB 3.39Å; D38-L42 WeakPolarHBondContact O-CD1 3.31Å; D38-L42 VanDerWaalsContact O-CG 3.32Å; D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 3.01Å; R39-L42 PolarHBondContact O-N 3.3Å; L42-M44 VanDerWaalsContact C-N 3.31Å; L42-F45 PolarHBondContact O-N 2.66Å; L42-S46 PolarHBondContact O-N 3.44Å; L42-S46 PolarHBondContact O-OG 3.32Å
43S33.7Very low37.5Very low78 Ų78117.2 Ų117.255%0.54563%0.627SS.*Hα-helixtrans-62.5-35.5172.61710000112.2R39 F45R39-S43 WeakPolarHBondContact O-CB 3.48Å; R39-S43 PolarHBondContact O-N 2.9Å; S43-F45 VanDerWaalsContact C-N 3.26Å; S43-F45 PolarHBondContact O-N 3.14Å
44M29.4Very low36Very low137 Ų137118.2 Ų118.268%0.67565%0.649SS**THydrogen-bonded Turntrans-70.8-14.8176.4-85.2-172.4-78.100114.5D40 T41 L42D40-M44 WeakPolarHBondContact O-CE 3.19Å; D40-M44 PolarHBondContact O-N 3.13Å; T41-M44 PolarHBondContact O-N 3.1Å; L42-M44 VanDerWaalsContact C-N 3.31Å
45F28.2Very low34.8Very low177 Ų177120.1 Ų120.178%0.77667%0.665SS**THydrogen-bonded Turntrans-127.15.8-171.9-65.9-70.2000116T41 L42 S43T41-F45 VanDerWaalsContact O-CD2 3.28Å; T41-F45 WeakPolarHBondContact O-CD2 3.46Å; L42-F45 PolarHBondContact O-N 2.66Å; S43-F45 VanDerWaalsContact C-N 3.26Å; S43-F45 PolarHBondContact O-N 3.14Å
46S29.5Very low33.8Very low87 Ų87122.2 Ų122.261%0.60868%0.675SS**  trans-108.891.8175.849.40000112.2L42L42-S46 PolarHBondContact O-N 3.44Å; L42-S46 PolarHBondContact O-OG 3.32Å
47V27.3Very low33.1Very low135 Ų135129.7 Ų129.782%0.81871%0.71SS**  trans-74.9119.2152-178.20000106.1E49V47-E49 PolarHBondContact O-N 2.87Å; V47-E49 VanDerWaalsContact O-N 3.1Å
48S30.3Very low32.8Very low108 Ų108128.7 Ų128.776%0.75571%0.711SS**  trans-65.9104.717025.40000109.4D50S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 3.43Å
49E32Very low32.9Very low183 Ų183128.4 Ų128.486%0.85571%0.714SS**  trans-71.189.4161.1-79.4-170.515800108.7V47V47-E49 PolarHBondContact O-N 2.87Å; V47-E49 VanDerWaalsContact O-N 3.1Å
50D31.3Very low32.7Very low156 Ų156127.2 Ų127.283%0.83472%0.72SS**  trans-138.780.1156.6-88-41.2000108S48S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 3.43Å
51C25.6Very low33Very low112 Ų112129.5 Ų129.576%0.75773%0.727SS**  trans-90.3128.8170.1-155.80000108.3I53C51-I53 PolarHBondContact O-N 3.49Å
52P31Very low33.7Very low127 Ų127133.1 Ų133.183%0.82574%0.739SS**SBendtrans-83.263-171.434.4-35000111.6
53I33.8Very low34.4Very low167 Ų167132.4 Ų132.486%0.85674%0.736SS**  trans-143.575.1162.4-52.6178.3000107.1C51C51-I53 PolarHBondContact O-N 3.49Å
54G30.5Very low35.2Very low71 Ų71134.5 Ų134.573%0.73274%0.74SS**  trans-159.422-17800000113.8Q56G54-Q56 PolarHBondContact O-N 2.87Å; G54-Q56 VanDerWaalsContact O-N 3.13Å
55L34.3Very low36.2Very low180 Ų180134.9 Ų134.994%0.94274%0.738SS**  trans-84.568.6170.8-84.7161.7000109.4
56Q35.6Very low36.9Very low181 Ų181132.2 Ų132.285%0.84673%0.728SS**SBendtrans-179.580.4161.9-106.3171.210.400109.4G54G54-Q56 PolarHBondContact O-N 2.87Å; G54-Q56 VanDerWaalsContact O-N 3.13Å
57Q37.1Very low37.7Very low187 Ų187132 Ų13287%0.87472%0.72SS**  trans17598.6150.8-99.3163.641.500110.1
58S39.5Very low38.8Very low77 Ų77128.5 Ų128.554%0.53870%0.704SS.*  trans175.683.3142.650.60000112.8
59P42.2Very low39.5Very low97 Ų97129.7 Ų129.763%0.6370%0.698SS**SBendtrans-98.8-25.1140.1-14.830.7000111.6L63P59-L63 PolarHBondContact O-N 3.04Å
60D40.1Very low40Very low127 Ų127128.3 Ų128.368%0.67969%0.692SS**Hα-helixtrans-78.4-24.3-172-63.9-26.9000113.5L64D60-L64 WeakPolarHBondContact O-CG 3.33Å; D60-L64 PolarHBondContact O-N 3.38Å
61Q41.7Very low40.4Very low147 Ų147129 Ų12969%0.68769%0.69SS**Hα-helixtrans-77.3-31.1178-94.8-178.4-10.500113.3K65Q61-K65 PolarHBondContact O-N 3.13Å
62E46.1Very low41Very low144 Ų144128.2 Ų128.267%0.67369%0.686SS**Hα-helixtrans-72.7-40173.5-88.5177.4157.100111.1L64 K65 E66E62-L64 PolarHBondContact O-N 3.01Å; E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 3.42Å; E62-K65 VanDerWaalsContact O-N 3.12Å; E62-E66 PolarHBondContact O-N 3.44Å
63L44Very low41.5Very low103 Ų103130.5 Ų130.554%0.53969%0.685SS.*Hα-helixtrans-64.6-37.7178.9-143.397.7000112.7P59 K65 L67P59-L63 PolarHBondContact O-N 3.04Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.29Å; L63-L67 HydrophobicContact CD2-CD1 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 WeakPolarHBondContact O-CD1 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.95Å
64L49.8Very low41.3Very low121 Ų121131.4 Ų131.463%0.63469%0.686SS**Hα-helixtrans-69.5-27.5175.6-80.2166000112.7D60 E62 A68D60-L64 WeakPolarHBondContact O-CG 3.33Å; D60-L64 PolarHBondContact O-N 3.38Å; E62-L64 PolarHBondContact O-N 3.01Å; L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.31Å
65K50.3Low41.8Very low145 Ų145132.5 Ų132.563%0.6368%0.68SS**Hα-helixtrans-77.8-40.8178-150.1178.2-177.9-174.10111.3Q61 E62 L63 A68 E69Q61-K65 PolarHBondContact O-N 3.13Å; E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 3.42Å; E62-K65 VanDerWaalsContact O-N 3.12Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.29Å; K65-A68 PolarHBondContact O-N 3.07Å; K65-E69 PolarHBondContact O-N 2.96Å; K65-E69 VanDerWaalsContact O-N 3.14Å
66E43.3Very low41.5Very low121 Ų121132.1 Ų132.157%0.56568%0.678SS**Hα-helixtrans-65.5-37.8172.6-76.2-17215100112.5E62 A68 E69 Q70E62-E66 PolarHBondContact O-N 3.44Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.05Å; E66-E69 PolarHBondContact O-N 3.07Å; E66-Q70 WeakPolarHBondContact O-CG 3.12Å; E66-Q70 PolarHBondContact O-N 2.84Å
67L45.4Very low41.1Very low84 Ų84134.6 Ų134.644%0.4468%0.68SS.*Hα-helixtrans-67.8-29.7175.4-78.6166000113L63 Q71L63-L67 HydrophobicContact CD2-CD1 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 WeakPolarHBondContact O-CD1 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.95Å; L67-Q71 WeakPolarHBondContact O-CG 3.37Å
68A51.1Low40.7Very low60 Ų60138 Ų13850%0.49669%0.685SS.*Hα-helixtrans-75.5-35.4176.200000112.3L64 K65 E66 Q71L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.31Å; K65-A68 PolarHBondContact O-N 3.07Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.05Å; A68-Q71 PolarHBondContact O-N 2.7Å
69E45.7Very low40.2Very low134 Ų134142.6 Ų142.663%0.62670%0.698SS**Hα-helixtrans-72.6-29.3176.9-74.9178176.200112.6K65 E66 Q71 S72K65-E69 PolarHBondContact O-N 2.96Å; K65-E69 VanDerWaalsContact O-N 3.14Å; E66-E69 PolarHBondContact O-N 3.07Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 2.97Å; E69-S72 PolarHBondContact O-OG 3.31Å
70Q42Very low39.4Very low154 Ų154143.3 Ų143.372%0.7270%0.704SS**THydrogen-bonded Turntrans-75.7-14.8175.5-72-178.85.500114.3E66E66-Q70 WeakPolarHBondContact O-CG 3.12Å; E66-Q70 PolarHBondContact O-N 2.84Å
71Q39.7Very low38.8Very low170 Ų170146.5 Ų146.579%0.79471%0.713SS**THydrogen-bonded Turntrans-93.6-3.3-178.6-75.1-175.4-0.400114.3L67 A68 E69L67-Q71 WeakPolarHBondContact O-CG 3.37Å; A68-Q71 PolarHBondContact O-N 2.7Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 2.97Å
72S38.4Very low38Very low96 Ų96150.7 Ų150.767%0.67172%0.722SS**SBendtrans-106.411.5-172.966.10000116.9E69E69-S72 PolarHBondContact O-OG 3.31Å
73E41.6Very low37.2Very low175 Ų175152 Ų15282%0.81873%0.733SS**  trans-113.1117.1175.8-73-155.2152.100113.8
74E29.6Very low36.5Very low185 Ų185154.6 Ų154.686%0.86475%0.746SS**  trans173158.2139.9-91.8-124.2145.300111.5
75P41Very low35.4Very low95 Ų95160 Ų16062%0.61776%0.758SS**  -140.3126.3-5835.9-16.2000112.9
76L27.3Very low34.3Very low171 Ų171158.4 Ų158.490%0.89577%0.765SS**  trans-145.1114.9168.1-89170.2000115
77R27.8Very low33.5Very low234 Ų234161.9 Ų161.988%0.88378%0.778SS**  trans69.389.2156.3-71.6-175.6173177.7-0.8119.7Q79R77-Q79 PolarHBondContact O-N 3.29Å
78R28.7Very low32.6Very low259 Ų259164.3 Ų164.398%0.97780%0.796SS**  trans-66.2112.3147.7-79.3177.7173.4167.1-0.4110.3
79Q28.1Very low31.3Very low173 Ų173168.7 Ų168.781%0.80881%0.811SS**  trans-111.7110.8155.5-119.2176.65.200108R77 F81R77-Q79 PolarHBondContact O-N 3.29Å; Q79-F81 PolarHBondContact O-N 2.89Å
80S26.2Very low30.3Very low111 Ų111168.4 Ų168.478%0.77682%0.819SS**  trans-72.3110.1179.648.80000111.2
81F27Very low29.5Very low195 Ų195168.7 Ų168.786%0.85582%0.824SS**  trans-85.6107.6159.8-80.6-81.3000109Q79 L83Q79-F81 PolarHBondContact O-N 2.89Å; F81-L83 PolarHBondContact O-N 3.31Å
82R25.5Very low28.8Very low234 Ų234168.7 Ų168.788%0.88382%0.824SS**  trans-71.4112.3169.6-74.2-179.4178-176.1-0.5108.5
83L29.1Very low28.1Very low172 Ų172171.6 Ų171.690%0.90183%0.83SS**  trans-81.9129163.7-135.389.6000109.2F81 R85F81-L83 PolarHBondContact O-N 3.31Å; L83-R85 PolarHBondContact O-N 2.6Å
84I29.5Very low27.4Very low157 Ų157168.9 Ų168.981%0.80583%0.828SS**  trans-70.1117.8-179.7-67.8167.1000108.8S86I84-S86 PolarHBondContact O-N 3.46Å
85R25.8Very low27.1Very low235 Ų235163.4 Ų163.489%0.88782%0.821SS**  trans-69.2110.1164.5-92.7178.3165.9169.3-4.5109.1L83L83-R85 PolarHBondContact O-N 2.6Å
86S28.4Very low26.6Very low111 Ų111165.3 Ų165.378%0.77683%0.834SS**  trans-76.5116.4157.543.30000108.5I84I84-S86 PolarHBondContact O-N 3.46Å
87K25.1Very low26.4Very low194 Ų194162.2 Ų162.284%0.84383%0.826SS**  trans-79.4122.2170.4-73.8176.2173.1179.70108.1
88T26.7Very low26.3Very low135 Ų135158.7 Ų158.783%0.82883%0.825SS**  trans-107118.6157-41.60000107.4T90T88-T90 PolarHBondContact O-N 3.49Å
89L24.7Very low26.1Very low152 Ų152155 Ų15580%0.79682%0.818SS**  trans-70.6118.9-175-80.1142.6000110.8
90T24Very low26.3Very low129 Ų129151.6 Ų151.679%0.79181%0.811SS**  trans-87.9109.5160.6-35.50000107.5T88T88-T90 PolarHBondContact O-N 3.49Å
91L25.6Very low26.2Very low159 Ų159153.1 Ų153.183%0.83281%0.811SS**  trans-88.6106169.8-90156.4000108.3
92Q23.7Very low26Very low170 Ų170148.9 Ų148.979%0.79481%0.805SS**  trans-105125164.3-78.1-177.2-23.200108.6
93I25.3Very low26Very low157 Ų157145.3 Ų145.381%0.80580%0.802SS**  trans-155.3162.8147.2-27.3174.8000108.3
94P26.1Very low25.7Very low119 Ų119143.1 Ų143.177%0.77380%0.796SS**  -114.2177.4-93.937.9-20.3000114
95G23.9Very low25.8Very low70 Ų70141 Ų14172%0.72279%0.793SS**  trans-69.7-174.7-17800000117.7
96P29.5Very low25.8Very low135 Ų135135.4 Ų135.488%0.87779%0.789SS**  trans-105163.7-136.539-35.4000116.3
97S23.7Very low25.6Very low106 Ų106133.9 Ų133.974%0.74179%0.791SS**  trans-146.6121.6154.159.70000111.8
98D25.1Very low25.6Very low159 Ų159130.5 Ų130.585%0.8579%0.792SS**  trans66.8127.8150.6-58.4-25.2000124.1
99H24.3Very low25.5Very low181 Ų181131 Ų13184%0.83880%0.795SS**  trans-49.1-177.8171.9-73.1-68.1000118.6
100P33.5Very low25.7Very low102 Ų102128.9 Ų128.966%0.66279%0.793SS**  cis-137.2-176.8-1725.6-0.7000115.8
101D23.1Very low25.8Very low144 Ų144128.6 Ų128.677%0.7780%0.796SS**  trans97.6102.8148.2-66.5-23.7000123.1
102S23.6Very low26.1Very low105 Ų105125.1 Ų125.173%0.73479%0.786SS**  80.3131.7127.576.10000122.2
103I24.5Very low26.5Very low160 Ų160127.4 Ų127.482%0.82179%0.793SS**  trans117.3107.1150.1-57.4165000114.8
104T24.2Very low27Very low126 Ų126124.1 Ų124.177%0.77378%0.784SS**  trans-64.3156.8161.227.90000111.5
105P31.6Very low27.2Very low113 Ų113123 Ų12373%0.73478%0.779SS**  -152.2155.854.540.3-18.3000120
106S24.8Very low27.8Very low116 Ų116125.4 Ų125.481%0.81178%0.78SS**  trans56130.4138.165.90000124.4
107G23.7Very low28.3Very low80 Ų80122 Ų12283%0.82576%0.756SS**  trans103.4120.9151.400000113.3
108S25.3Very low29.3Very low123 Ų123126.7 Ų126.786%0.8677%0.767SS**  cis-158.8142.633.949.60000111.7
109T24.7Very low31Very low145 Ų145125.7 Ų125.789%0.8976%0.761SS**  trans-68126.6-179.541.70000114.2
110S29.2Very low33.5Very low108 Ų108118.6 Ų118.676%0.75573%0.731SS**  trans-98.8115.5156.557.70000109.1S112S110-S112 PolarHBondContact O-N 3.07Å; S110-S112 VanDerWaalsContact O-N 3.16Å
111S27.2Very low36Very low122 Ų122114.5 Ų114.585%0.85371%0.705SS**  trans-63.5108.6178.854.60000111.2
112S31.9Very low39.2Very low87 Ų87114.8 Ų114.861%0.60871%0.707SS**  trans-104.5124.1161.342.60000107.2S110 S114S110-S112 PolarHBondContact O-N 3.07Å; S110-S112 VanDerWaalsContact O-N 3.16Å; S112-S114 PolarHBondContact O-N 3.17Å; S112-S114 PolarHBondContact OG-OG 2.64Å
113F30.5Very low42.6Very low217 Ų217110.5 Ų110.595%0.95268%0.675SS**  trans-6782.6160.8-96.2-89.5000107.3
114S35.9Very low45.9Very low88 Ų88108.2 Ų108.262%0.61566%0.661SS**  trans-130.158.2170.260.50000108.9S112S112-S114 PolarHBondContact O-N 3.17Å; S112-S114 PolarHBondContact OG-OG 2.64Å
115S31.5Very low49.1Very low95 Ų95107.3 Ų107.366%0.66464%0.643SS**  trans-94.676.7159.763.30000108.4T117S115-T117 PolarHBondContact O-N 3.38Å; S115-T117 VanDerWaalsContact O-N 3.08Å
116V36.9Very low51.8Low122 Ų122103.4 Ų103.474%0.73962%0.617SS**  trans-64.6107.1156.9178.20000104.8C120V116-C120 HydrophobicContact CG1-CB 4.47Å
117T39.8Very low54.6Low63 Ų63103.7 Ų103.739%0.38761%0.614SS.*  trans-59.5138.1179.832.30000109.9S115 N119 C120S115-T117 PolarHBondContact O-N 3.38Å; S115-T117 VanDerWaalsContact O-N 3.08Å; T117-N119 PolarHBondContact O-N 2.95Å; T117-C120 PolarHBondContact O-N 2.73Å
118E43.5Very low57.1Low205 Ų205104.4 Ų104.496%0.95860%0.598SS**THydrogen-bonded Turntrans-58.44.4-176.8-73.3178.4145.100115.4
119N62.3Low59.5Low138 Ų138103.7 Ų103.774%0.73859%0.593SS**THydrogen-bonded Turntrans-122.27.3-176.9-73.7-30.9000114.8T117T117-N119 PolarHBondContact O-N 2.95Å
120C76.4Confident61.5Low31 Ų31100.7 Ų100.721%0.20959%0.591CS.*PPolyproline II helixtrans-68.7131.3176.1-169.20000110.3V116 T117 R125V116-C120 HydrophobicContact CG1-CB 4.47Å; T117-C120 PolarHBondContact O-N 2.73Å; C120-R125 PolarHBondContact SG-NH2 3.3Å
121P86Confident63.6Low17 Ų1798.9 Ų98.911%0.1157%0.573CS.*PPolyproline II helixtrans-61.9145.9177.726.6-35.2000111F123 Q730 I731 A734P121-F123 HydrophobicContact CG-CD1 4.5Å; P121-F123 WeakPolarHBondContact O-CD1 3.35Å; P121-Q730 HydrophobicContact CB-CB 4.27Å; P121-Q730 HydrophobicContact CG-CB 4.02Å; P121-I731 HydrophobicContact CB-CG1 3.87Å; P121-I731 HydrophobicContact CG-CG1 4.32Å; P121-A734 HydrophobicContact CG-CB 3.67Å
122D89.9Confident65.9Low150 Ų15098.2 Ų98.280%0.80255%0.552SS**PPolyproline II helixtrans-83.6121.1175.4-169.519.8000110
123F94.5Very high68.2Low15 Ų1595 Ų957%0.06653%0.529CS..  trans-156.3162.3179.472.4-82.6000110.9P121 R125 I731 A734P121-F123 HydrophobicContact CG-CD1 4.5Å; P121-F123 WeakPolarHBondContact O-CD1 3.35Å; F123-R125 HydrophobicContact CD2-CG 4.26Å; F123-R125 HydrophobicContact CE1-CG 4.46Å; F123-R125 VanDerWaalsContact CE1-NH2 3.31Å; F123-R125 HydrophobicContact CE2-CG 3.74Å; F123-R125 HydrophobicContact CZ-CG 3.84Å; F123-R125 PolarHBondContact O-N 2.85Å; F123-R125 PolarHBondContact O-NH1 2.97Å; F123-I731 HydrophobicContact CB-CB 4.4Å; F123-I731 HydrophobicContact CB-CD1 4.29Å; F123-I731 HydrophobicContact CB-CG1 4.04Å; F123-I731 HydrophobicContact CB-CG2 3.6Å; F123-I731 HydrophobicContact CD1-CG2 4.21Å; F123-I731 HydrophobicContact CD2-CG2 4.07Å; F123-I731 HydrophobicContact CG-CG2 3.72Å; F123-A734 HydrophobicContact CE1-CB 3.73Å; F123-A734 HydrophobicContact CZ-CB 4.3Å
124Q93.8Very high70.7Confident112 Ų11284.7 Ų84.752%0.52348%0.484SS..  trans-76.8118.7-178.2-58.9-175.619.300110.2L285 N286Q124-L285 HydrophobicContact CB-CB 4.08Å; Q124-L285 HydrophobicContact CB-CD1 4.33Å; Q124-N286 WeakPolarHBondContact CB-OD1 3.36Å; Q124-N286 PolarHBondContact N-OD1 3.23Å; Q124-N286 PolarHBondContact O-ND2 3.02Å
125R92.4Very high72.8Confident106 Ų10682.7 Ų82.740%0.448%0.477SS..  trans-96.9141-178.1-69.9176.3176.479.3-2.1111.6C120 F123 E738C120-R125 PolarHBondContact SG-NH2 3.3Å; F123-R125 HydrophobicContact CD2-CG 4.26Å; F123-R125 HydrophobicContact CE1-CG 4.46Å; F123-R125 VanDerWaalsContact CE1-NH2 3.31Å; F123-R125 HydrophobicContact CE2-CG 3.74Å; F123-R125 HydrophobicContact CZ-CG 3.84Å; F123-R125 PolarHBondContact O-N 2.85Å; F123-R125 PolarHBondContact O-NH1 2.97Å; R125-E738 WeakPolarHBondContact CD-OE2 3.43Å; R125-E738 IonicContact CZ-OE1 2.77Å; R125-E738 IonicContact CZ-OE2 3.55Å; R125-E738 IonicContact NE-OE1 2.89Å; R125-E738 PolarHBondContact NE-OE1 3.46Å; R125-E738 VanDerWaalsContact NE-OE1 3.13Å; R125-E738 IonicContact NE-OE2 3.22Å; R125-E738 PolarHBondContact NE-OE2 3.35Å; R125-E738 IonicContact NH2-OE1 3.48Å; R125-E738 PolarHBondContact NH2-OE1 3.03Å; R125-E738 IonicContact NH2-OE2 2.83Å
126V87.9Confident75.6Confident31 Ų3179.4 Ų79.419%0.18845%0.452CS..  trans-105.4117.9171.3-179.50000108.5K278 L281 L285V126-K278 HydrophobicContact CB-CG 4.41Å; V126-K278 HydrophobicContact CG1-CG 4.47Å; V126-K278 VanDerWaalsContact O-CE 3.25Å; V126-K278 WeakPolarHBondContact O-CE 3.38Å; V126-L281 HydrophobicContact CB-CD2 4.25Å; V126-L281 HydrophobicContact CG1-CD2 3.72Å; V126-L281 HydrophobicContact CG2-CB 4.25Å; V126-L281 HydrophobicContact CG2-CD2 3.47Å; V126-L281 VanDerWaalsContact CG2-CD2 3.47Å; V126-L281 HydrophobicContact CG2-CG 3.64Å; V126-L285 HydrophobicContact CG2-CD1 3.76Å
127T83Confident78.2Confident122 Ų12277.2 Ų77.275%0.74844%0.439SS*.  trans-110.3127.5174.2-50.90000109.4
128I75.9Confident80.5Confident95 Ų9578.4 Ų78.449%0.48744%0.443SS..  trans-103.9114.4174.4-57.2173.6000106.9
129S75.7Confident82.6Confident109 Ų10976.3 Ų76.376%0.76243%0.433SS*.  trans-109.7139.9179.560.10000111.6
130G66.9Low84.1Confident81 Ų8172.5 Ų72.584%0.83541%0.413SS*.SBendtrans101.6-5.3161.200000118.1
131D72.9Confident84.8Confident71 Ų7171.6 Ų71.638%0.3841%0.405SS..  trans-13061.3175.5-171.617.8000111.8C133 A134 G135D131-C133 VanDerWaalsContact C-N 3.33Å; D131-A134 PolarHBondContact O-N 3.46Å; D131-A134 WeakPolarHBondContact OD1-CA 2.79Å; D131-A134 PolarHBondContact OD1-N 3.28Å; D131-A134 VanDerWaalsContact OD1-N 3.13Å; D131-G135 PolarHBondContact OD1-N 2.87Å; D131-G135 VanDerWaalsContact OD1-N 3.11Å
132Y76.6Confident85.1Confident108 Ų10874 Ų7442%0.42441%0.414SS..THydrogen-bonded Turntrans-70-31.2176.561.6-91.1000111.8A134 L138 Y141 Y267Y132-A134 PolarHBondContact O-N 3.49Å; Y132-A134 VanDerWaalsContact O-N 3.15Å; Y132-L138 HydrophobicContact CE2-CD1 3.93Å; Y132-Y141 HydrophobicContact CD2-CD1 4.28Å; Y132-Y141 AromaticContact CD2-CE1 3.84Å; Y132-Y141 HydrophobicContact CD2-CE1 3.84Å; Y132-Y141 HydrophobicContact CD2-CE2 4.26Å; Y132-Y141 AromaticContact CD2-CZ 3.83Å; Y132-Y141 HydrophobicContact CE2-CD1 4.26Å; Y132-Y141 HydrophobicContact CE2-CE1 4.05Å; Y132-Y141 WeakPolarHBondContact O-CE2 3.25Å; Y132-Y267 WeakPolarHBondContact O-CE2 3.48Å
133C79.1Confident85.1Confident19 Ų1971.9 Ų71.913%0.12840%0.4CS..THydrogen-bonded Turntrans-67.3-10.1174.6-60.30000113.1D131 G135 I136D131-C133 VanDerWaalsContact C-N 3.33Å; C133-G135 PolarHBondContact O-N 3.11Å; C133-G135 VanDerWaalsContact O-N 3.11Å; C133-I136 WeakPolarHBondContact CB-O 3.44Å; C133-I136 WeakPolarHBondContact O-CG1 3.09Å; C133-I136 PolarHBondContact O-N 3Å; C133-I136 VanDerWaalsContact O-N 3.1Å
134A84.7Confident85.1Confident0 Ų071.2 Ų71.20%040%0.397CS..THydrogen-bonded Turntrans46.844.9-176.600000111.3D131 Y132 I136 Y267 R270 F274D131-A134 PolarHBondContact O-N 3.46Å; D131-A134 WeakPolarHBondContact OD1-CA 2.79Å; D131-A134 PolarHBondContact OD1-N 3.28Å; D131-A134 VanDerWaalsContact OD1-N 3.13Å; Y132-A134 PolarHBondContact O-N 3.49Å; Y132-A134 VanDerWaalsContact O-N 3.15Å; A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.38Å; A134-Y267 HydrophobicContact CB-CD2 3.8Å; A134-Y267 HydrophobicContact CB-CE2 3.98Å; A134-R270 HydrophobicContact CB-CB 3.9Å; A134-R270 WeakPolarHBondContact O-CD 3.34Å; A134-R270 PolarHBondContact O-NH1 2.82Å; A134-F274 HydrophobicContact CB-CE2 3.94Å
135G80.1Confident85.1Confident46 Ų4665.9 Ų65.947%0.47437%0.372SS..THydrogen-bonded Turntrans52.131-17800000118.3D131 C133 R270D131-G135 PolarHBondContact OD1-N 2.87Å; D131-G135 VanDerWaalsContact OD1-N 3.11Å; C133-G135 PolarHBondContact O-N 3.11Å; C133-G135 VanDerWaalsContact O-N 3.11Å; G135-R270 PolarHBondContact O-NH1 3.39Å
136I89.8Confident85.1Confident27 Ų2764.3 Ų64.314%0.13837%0.366CS..SBendtrans-97.7172.615355.7163.3000110C133 A134 D140 A144 T266 Y267C133-I136 WeakPolarHBondContact CB-O 3.44Å; C133-I136 WeakPolarHBondContact O-CG1 3.09Å; C133-I136 PolarHBondContact O-N 3Å; C133-I136 VanDerWaalsContact O-N 3.1Å; A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.38Å; I136-D140 HydrophobicContact CB-CB 4.25Å; I136-D140 HydrophobicContact CD1-CB 3.87Å; I136-D140 HydrophobicContact CG1-CB 4.44Å; I136-A144 HydrophobicContact CD1-CB 4.5Å; I136-T266 HydrophobicContact CG2-CG2 3.87Å; I136-Y267 HydrophobicContact CD1-CD2 4.13Å; I136-Y267 HydrophobicContact CD1-CG 4.22Å; I136-Y267 HydrophobicContact CG1-CD2 4.31Å
137T90.2Very high85.4Confident76 Ų7664.2 Ų64.247%0.46637%0.367SS..  trans-68.4160.9177.273.80000110.9E139 D140 Y141T137-E139 VanDerWaalsContact C-N 3.32Å; T137-E139 PolarHBondContact O-N 3.02Å; T137-D140 PolarHBondContact O-N 3.45Å; T137-D140 WeakPolarHBondContact OG1-CB 3.21Å; T137-D140 PolarHBondContact OG1-N 3Å; T137-D140 VanDerWaalsContact OG1-N 3.16Å; T137-D140 PolarHBondContact OG1-OD2 3.29Å; T137-Y141 VanDerWaalsContact O-CB 3.31Å; T137-Y141 WeakPolarHBondContact O-CB 3.5Å; T137-Y141 PolarHBondContact O-N 3.47Å
138L88.8Confident86Confident87 Ų8758.4 Ų58.446%0.45533%0.331SS..Hα-helixtrans-62-41.5178-178.663.8000111.7Y132 Y141 E142Y132-L138 HydrophobicContact CE2-CD1 3.93Å; L138-Y141 HydrophobicContact CD1-CD1 4.24Å; L138-Y141 WeakPolarHBondContact O-CB 3.41Å; L138-Y141 PolarHBondContact O-N 3.15Å; L138-E142 WeakPolarHBondContact O-CG 3.33Å; L138-E142 PolarHBondContact O-N 3.36Å
139E88.6Confident87Confident162 Ų16255 Ų5576%0.75731%0.313SS*.Hα-helixtrans-63.2-46.5178-65.1176.1-171.700111.4T137 Y141 E142 Q143T137-E139 VanDerWaalsContact C-N 3.32Å; T137-E139 PolarHBondContact O-N 3.02Å; E139-Y141 VanDerWaalsContact C-N 3.28Å; E139-Y141 PolarHBondContact O-N 3.4Å; E139-E142 PolarHBondContact O-N 3.17Å; E139-Q143 PolarHBondContact O-N 3.42Å; E139-Q143 VanDerWaalsContact O-N 3.08Å
140D92.3Very high88Confident58 Ų5854.3 Ų54.331%0.3130%0.296SS..Hα-helixtrans-62.3-37.8176-68.4-42.4000111.7I136 T137 Q143 A144 P263I136-D140 HydrophobicContact CB-CB 4.25Å; I136-D140 HydrophobicContact CD1-CB 3.87Å; I136-D140 HydrophobicContact CG1-CB 4.44Å; T137-D140 PolarHBondContact O-N 3.45Å; T137-D140 WeakPolarHBondContact OG1-CB 3.21Å; T137-D140 PolarHBondContact OG1-N 3Å; T137-D140 VanDerWaalsContact OG1-N 3.16Å; T137-D140 PolarHBondContact OG1-OD2 3.29Å; D140-Q143 PolarHBondContact O-N 3.39Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.32Å; D140-A144 PolarHBondContact O-N 2.95Å; D140-P263 HydrophobicContact CB-CB 3.79Å; D140-P263 HydrophobicContact CB-CG 4.38Å
141Y92.4Very high89.4Confident11 Ų1150.5 Ų50.54%0.04326%0.257CS..Hα-helixtrans-62.9-49.1178.1163.9-97.3000111.1Y132 T137 L138 E139 Q143 A144 V145 Y267 F746 A750Y132-Y141 HydrophobicContact CD2-CD1 4.28Å; Y132-Y141 AromaticContact CD2-CE1 3.84Å; Y132-Y141 HydrophobicContact CD2-CE1 3.84Å; Y132-Y141 HydrophobicContact CD2-CE2 4.26Å; Y132-Y141 AromaticContact CD2-CZ 3.83Å; Y132-Y141 HydrophobicContact CE2-CD1 4.26Å; Y132-Y141 HydrophobicContact CE2-CE1 4.05Å; Y132-Y141 WeakPolarHBondContact O-CE2 3.25Å; T137-Y141 VanDerWaalsContact O-CB 3.31Å; T137-Y141 WeakPolarHBondContact O-CB 3.5Å; T137-Y141 PolarHBondContact O-N 3.47Å; L138-Y141 HydrophobicContact CD1-CD1 4.24Å; L138-Y141 WeakPolarHBondContact O-CB 3.41Å; L138-Y141 PolarHBondContact O-N 3.15Å; E139-Y141 VanDerWaalsContact C-N 3.28Å; E139-Y141 PolarHBondContact O-N 3.4Å; Y141-Q143 VanDerWaalsContact C-N 3.31Å; Y141-Q143 PolarHBondContact O-N 3Å; Y141-A144 PolarHBondContact O-N 3.24Å; Y141-V145 HydrophobicContact CD2-CG2 3.93Å; Y141-V145 HydrophobicContact CE1-CG2 4.33Å; Y141-V145 HydrophobicContact CE2-CG2 3.54Å; Y141-V145 WeakPolarHBondContact O-CB 3.45Å; Y141-V145 WeakPolarHBondContact O-CG2 3.16Å; Y141-V145 PolarHBondContact O-N 3.1Å; Y141-Y267 HydrophobicContact CD2-CD2 4.04Å; Y141-Y267 AromaticContact CD2-CE2 3.51Å; Y141-Y267 HydrophobicContact CD2-CE2 3.51Å; Y141-Y267 AromaticContact CE2-CE2 3.63Å; Y141-Y267 HydrophobicContact CE2-CE2 3.63Å; Y141-Y267 AromaticContact CE2-CZ 3.76Å; Y141-F746 PolarHBondContact OH-O 3.19Å; Y141-A750 HydrophobicContact CE1-CB 4.01Å
142E90.9Very high90.6Very high67 Ų6747.1 Ų47.131%0.31324%0.239SC..Hα-helixtrans-59.5-43.9177.5-72-179.1-164.600111.3L138 E139 V145 R146L138-E142 WeakPolarHBondContact O-CG 3.33Å; L138-E142 PolarHBondContact O-N 3.36Å; E139-E142 PolarHBondContact O-N 3.17Å; E142-V145 PolarHBondContact O-N 3.41Å; E142-R146 WeakPolarHBondContact O-CB 3.4Å; E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 3.15Å; E142-R146 IonicContact OE2-NH2 3.02Å; E142-R146 PolarHBondContact OE2-NH2 2.98Å
143Q91.1Very high91.5Very high106 Ų10643.8 Ų43.850%0.49523%0.228SC..Hα-helixtrans-65.4-42.9178.4-17758.139.600112.6E139 D140 Y141 R146 S147E139-Q143 PolarHBondContact O-N 3.42Å; E139-Q143 VanDerWaalsContact O-N 3.08Å; D140-Q143 PolarHBondContact O-N 3.39Å; Y141-Q143 VanDerWaalsContact C-N 3.31Å; Y141-Q143 PolarHBondContact O-N 3Å; Q143-R146 PolarHBondContact O-N 2.87Å; Q143-S147 WeakPolarHBondContact O-CB 3.39Å; Q143-S147 PolarHBondContact O-N 3.34Å; Q143-S147 PolarHBondContact O-OG 2.73Å
144A93.7Very high92.3Very high1 Ų143.9 Ų43.91%0.00823%0.227CC..Hα-helixtrans-62.6-46.7177.700000111I136 D140 Y141 S147 L148 T264I136-A144 HydrophobicContact CD1-CB 4.5Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.32Å; D140-A144 PolarHBondContact O-N 2.95Å; Y141-A144 PolarHBondContact O-N 3.24Å; A144-S147 PolarHBondContact O-N 3.35Å; A144-L148 WeakPolarHBondContact O-CG 3.28Å; A144-L148 PolarHBondContact O-N 3.49Å; A144-T264 WeakPolarHBondContact CA-OG1 3.45Å; A144-T264 HydrophobicContact CB-CG2 4.25Å; A144-T264 WeakPolarHBondContact CB-OG1 3.37Å
145V93.8Very high92.9Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-63.8-42.5179167.10000111.9Y141 E142 S147 L148 F149 Y267 I747 A750Y141-V145 HydrophobicContact CD2-CG2 3.93Å; Y141-V145 HydrophobicContact CE1-CG2 4.33Å; Y141-V145 HydrophobicContact CE2-CG2 3.54Å; Y141-V145 WeakPolarHBondContact O-CB 3.45Å; Y141-V145 WeakPolarHBondContact O-CG2 3.16Å; Y141-V145 PolarHBondContact O-N 3.1Å; E142-V145 PolarHBondContact O-N 3.41Å; V145-S147 VanDerWaalsContact C-N 3.29Å; V145-S147 PolarHBondContact O-N 3.2Å; V145-L148 PolarHBondContact O-N 3.26Å; V145-F149 WeakPolarHBondContact O-CB 3.27Å; V145-F149 PolarHBondContact O-N 3.05Å; V145-Y267 HydrophobicContact CG2-CE1 4.3Å; V145-I747 HydrophobicContact CG1-CB 4.13Å; V145-I747 HydrophobicContact CG1-CG1 4.32Å; V145-I747 HydrophobicContact CG1-CG2 3.98Å; V145-I747 WeakPolarHBondContact CG1-O 3.49Å; V145-A750 HydrophobicContact CB-CB 4.27Å; V145-A750 HydrophobicContact CG1-CB 3.64Å
146R91.9Very high93.7Very high74 Ų7442.2 Ų42.228%0.27921%0.207SC..Hα-helixtrans-60.3-40.7174.4-71.5171.1-151.5-162.43.6112E142 Q143 F149 K150 E754E142-R146 WeakPolarHBondContact O-CB 3.4Å; E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 3.15Å; E142-R146 IonicContact OE2-NH2 3.02Å; E142-R146 PolarHBondContact OE2-NH2 2.98Å; Q143-R146 PolarHBondContact O-N 2.87Å; R146-F149 PolarHBondContact O-N 3.04Å; R146-K150 WeakPolarHBondContact O-CB 3.26Å; R146-K150 PolarHBondContact O-N 2.99Å; R146-E754 IonicContact CZ-OE1 3.04Å; R146-E754 IonicContact CZ-OE2 2.8Å; R146-E754 IonicContact NE-OE2 3.24Å; R146-E754 PolarHBondContact NE-OE2 3.21Å; R146-E754 IonicContact NH1-OE1 2.67Å; R146-E754 PolarHBondContact NH1-OE1 3.38Å; R146-E754 IonicContact NH1-OE2 2.97Å; R146-E754 PolarHBondContact NH1-OE2 3.12Å; R146-E754 IonicContact NH2-OE1 2.88Å; R146-E754 PolarHBondContact NH2-OE1 2.98Å; R146-E754 IonicContact NH2-OE2 3.08Å; R146-E754 PolarHBondContact NH2-OE2 3.47Å; R146-E754 VanDerWaalsContact NH2-OE2 3.08Å
147S94.3Very high93.8Very high28 Ų2844.1 Ų44.120%0.19621%0.214CC..Hα-helixtrans-66.1-43.7178.3-54.70000111.2Q143 A144 V145 K150 A151 M258Q143-S147 WeakPolarHBondContact O-CB 3.39Å; Q143-S147 PolarHBondContact O-N 3.34Å; Q143-S147 PolarHBondContact O-OG 2.73Å; A144-S147 PolarHBondContact O-N 3.35Å; V145-S147 VanDerWaalsContact C-N 3.29Å; V145-S147 PolarHBondContact O-N 3.2Å; S147-K150 PolarHBondContact O-N 3.15Å; S147-A151 WeakPolarHBondContact O-CB 3.19Å; S147-A151 PolarHBondContact O-N 3.43Å; S147-M258 VanDerWaalsContact C-SD 3.57Å
148L97.1Very high94.1Very high0 Ų040.5 Ų40.50%019%0.192CC..Hα-helixtrans-62.7-43.8174.3-69.1171.1000112A144 V145 K150 A151 L152 M258 Y267 V611 Y614 L615A144-L148 WeakPolarHBondContact O-CG 3.28Å; A144-L148 PolarHBondContact O-N 3.49Å; V145-L148 PolarHBondContact O-N 3.26Å; L148-K150 PolarHBondContact O-N 3.47Å; L148-A151 WeakPolarHBondContact O-CB 3.46Å; L148-A151 PolarHBondContact O-N 2.95Å; L148-L152 WeakPolarHBondContact O-CG 3.3Å; L148-L152 PolarHBondContact O-N 2.96Å; L148-M258 HydrophobicContact CD2-SD 4.29Å; L148-Y267 HydrophobicContact CD1-CD1 4.14Å; L148-Y267 HydrophobicContact CD1-CE1 3.99Å; L148-V611 HydrophobicContact CD2-CG1 4.34Å; L148-Y614 HydrophobicContact CD1-CD1 4.07Å; L148-Y614 HydrophobicContact CD1-CE1 4Å; L148-L615 HydrophobicContact CD2-CD1 4.42Å; L148-L615 HydrophobicContact CD2-CD2 3.67Å; L148-L615 HydrophobicContact CD2-CG 3.89Å
149F96.8Very high94.4Very high23 Ų2336.4 Ų36.410%0.10117%0.17CC..Hα-helixtrans-57.5-48.7175.8-180-95000111.1V145 R146 A151 L152 M153 L174 A177 E178 I747 V751V145-F149 WeakPolarHBondContact O-CB 3.27Å; V145-F149 PolarHBondContact O-N 3.05Å; R146-F149 PolarHBondContact O-N 3.04Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.95Å; F149-L152 PolarHBondContact O-N 3.29Å; F149-M153 HydrophobicContact CD1-CG 4.16Å; F149-M153 HydrophobicContact CE1-CG 3.71Å; F149-M153 HydrophobicContact CZ-CG 3.93Å; F149-M153 HydrophobicContact CZ-SD 4.25Å; F149-M153 WeakPolarHBondContact O-CG 3.39Å; F149-M153 PolarHBondContact O-N 3.43Å; F149-L174 HydrophobicContact CD2-CD2 3.52Å; F149-L174 HydrophobicContact CE2-CB 4.34Å; F149-L174 HydrophobicContact CE2-CD2 3.4Å; F149-L174 VanDerWaalsContact CE2-CD2 3.4Å; F149-L174 HydrophobicContact CE2-CG 4.46Å; F149-L174 HydrophobicContact CG-CD2 4.43Å; F149-L174 HydrophobicContact CZ-CD2 4.22Å; F149-A177 HydrophobicContact CD2-CB 4.41Å; F149-A177 HydrophobicContact CE2-CB 3.55Å; F149-A177 HydrophobicContact CZ-CB 4.06Å; F149-E178 HydrophobicContact CZ-CG 3.91Å; F149-I747 HydrophobicContact CB-CG2 3.88Å; F149-I747 HydrophobicContact CD2-CG2 3.96Å; F149-I747 HydrophobicContact CG-CG2 4.44Å; F149-V751 HydrophobicContact CB-CG2 4.13Å; F149-V751 HydrophobicContact CD1-CG2 4.32Å; F149-V751 HydrophobicContact CD2-CG2 4.06Å; F149-V751 HydrophobicContact CG-CG2 3.9Å
150K95.5Very high94.6Very high95 Ų9532 Ų3241%0.41315%0.148SC..Hα-helixtrans-61.6-40.8177.4-171.4171.3-176.9-173.50112.1R146 S147 L148 L152 M153 L154 E254R146-K150 WeakPolarHBondContact O-CB 3.26Å; R146-K150 PolarHBondContact O-N 2.99Å; S147-K150 PolarHBondContact O-N 3.15Å; L148-K150 PolarHBondContact O-N 3.47Å; K150-L152 PolarHBondContact O-N 2.97Å; K150-M153 PolarHBondContact O-N 3.06Å; K150-L154 WeakPolarHBondContact O-CG 3.47Å; K150-L154 PolarHBondContact O-N 3.34Å; K150-E254 VanDerWaalsContact CD-OE1 3.3Å; K150-E254 WeakPolarHBondContact CD-OE1 3.4Å; K150-E254 VanDerWaalsContact CE-OE1 3.3Å; K150-E254 WeakPolarHBondContact CE-OE1 3.33Å; K150-E254 WeakPolarHBondContact CE-OE2 3.39Å; K150-E254 IonicContact NZ-OE1 2.78Å; K150-E254 PolarHBondContact NZ-OE1 3.25Å; K150-E254 IonicContact NZ-OE2 3.42Å; K150-E254 PolarHBondContact NZ-OE2 3.44Å
151A97.4Very high94.6Very high2 Ų230.6 Ų30.62%0.01714%0.141CC..Hα-helixtrans-61.6-41.7175.900000112.6S147 L148 F149 L154 R155 L255 M258 F594 L615S147-A151 WeakPolarHBondContact O-CB 3.19Å; S147-A151 PolarHBondContact O-N 3.43Å; L148-A151 WeakPolarHBondContact O-CB 3.46Å; L148-A151 PolarHBondContact O-N 2.95Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.95Å; A151-L154 PolarHBondContact O-N 3.37Å; A151-R155 PolarHBondContact O-N 3.15Å; A151-L255 HydrophobicContact CB-CD2 3.35Å; A151-M258 HydrophobicContact CB-CE 3.73Å; A151-M258 HydrophobicContact CB-SD 4.06Å; A151-F594 HydrophobicContact CB-CE1 4.34Å; A151-L615 HydrophobicContact CB-CD1 4.1Å; A151-L615 HydrophobicContact CB-CD2 3.98Å
152L97.9Very high94.6Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-65.7-41.8175.9-69.3172.9000111.9L148 F149 K150 R155 E156 T170 L174 L615 L618 A619 I747L148-L152 WeakPolarHBondContact O-CG 3.3Å; L148-L152 PolarHBondContact O-N 2.96Å; F149-L152 PolarHBondContact O-N 3.29Å; K150-L152 PolarHBondContact O-N 2.97Å; L152-R155 PolarHBondContact O-N 2.94Å; L152-E156 WeakPolarHBondContact O-CB 3.37Å; L152-E156 PolarHBondContact O-N 3.15Å; L152-T170 HydrophobicContact CD1-CG2 4.29Å; L152-T170 HydrophobicContact CD2-CG2 4.31Å; L152-L174 HydrophobicContact CB-CD1 4Å; L152-L174 HydrophobicContact CB-CD2 3.92Å; L152-L174 HydrophobicContact CD1-CD2 4.23Å; L152-L615 HydrophobicContact CD2-CD2 4.11Å; L152-L615 HydrophobicContact CG-CD2 4.14Å; L152-L618 HydrophobicContact CD1-CB 4.21Å; L152-L618 HydrophobicContact CD1-CD1 4.29Å; L152-L618 HydrophobicContact CD2-CB 4.01Å; L152-A619 HydrophobicContact CD2-CB 3.89Å; L152-I747 HydrophobicContact CD1-CD1 4.29Å
153M96.1Very high94.8Very high38 Ų3828.9 Ų28.919%0.18713%0.132CC..Hα-helixtrans-61.8-42.8174.7-75.5-58.6-68.500112.5F149 K150 E156 K157 L174 E178F149-M153 HydrophobicContact CD1-CG 4.16Å; F149-M153 HydrophobicContact CE1-CG 3.71Å; F149-M153 HydrophobicContact CZ-CG 3.93Å; F149-M153 HydrophobicContact CZ-SD 4.25Å; F149-M153 WeakPolarHBondContact O-CG 3.39Å; F149-M153 PolarHBondContact O-N 3.43Å; K150-M153 PolarHBondContact O-N 3.06Å; M153-E156 PolarHBondContact O-N 3.39Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 2.78Å; M153-L174 HydrophobicContact CG-CD2 4.39Å; M153-L174 HydrophobicContact SD-CB 3.83Å; M153-L174 HydrophobicContact SD-CD1 3.87Å; M153-L174 HydrophobicContact SD-CD2 4.28Å; M153-L174 HydrophobicContact SD-CG 4.19Å; M153-E178 WeakPolarHBondContact CE-OE1 3.46Å
154L95.6Very high95.1Very high20 Ų2024 Ų2411%0.10511%0.109CC..Hα-helixtrans-60.3-49.1174.1-74.8174.6000110.7K150 A151 E156 K157 Y158 D251 L595K150-L154 WeakPolarHBondContact O-CG 3.47Å; K150-L154 PolarHBondContact O-N 3.34Å; A151-L154 PolarHBondContact O-N 3.37Å; L154-E156 PolarHBondContact O-N 3.24Å; L154-K157 PolarHBondContact O-N 2.79Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; L154-Y158 PolarHBondContact O-N 2.81Å; L154-D251 HydrophobicContact CD1-CB 4.26Å; L154-D251 HydrophobicContact CD2-CB 4.34Å; L154-D251 WeakPolarHBondContact CD2-OD1 3.38Å; L154-L595 HydrophobicContact CB-CD2 3.99Å
155R96.8Very high95.1Very high3 Ų325.9 Ų25.91%0.01112%0.116CC..Hα-helixtrans-60.1-44.4177.6177173.8172.178.45112.2A151 L152 K157 Y158 S159 F166 F594 A597 D598 I621A151-R155 PolarHBondContact O-N 3.15Å; L152-R155 PolarHBondContact O-N 2.94Å; R155-K157 VanDerWaalsContact C-N 3.33Å; R155-K157 PolarHBondContact O-N 2.98Å; R155-Y158 PolarHBondContact O-N 3.46Å; R155-S159 VanDerWaalsContact O-CB 3.32Å; R155-S159 WeakPolarHBondContact O-CB 2.93Å; R155-S159 PolarHBondContact O-N 3.05Å; R155-S159 PolarHBondContact O-OG 3.23Å; R155-F166 HydrophobicContact CB-CE2 4.31Å; R155-F166 HydrophobicContact CG-CD2 4.17Å; R155-F166 HydrophobicContact CG-CE2 3.96Å; R155-F594 HydrophobicContact CB-CE1 3.8Å; R155-F594 HydrophobicContact CB-CE2 4.48Å; R155-F594 HydrophobicContact CB-CZ 3.78Å; R155-F594 VanDerWaalsContact CD-CE2 3.47Å; R155-F594 WeakPolarHBondContact CD-O 3.4Å; R155-F594 HydrophobicContact CG-CZ 4.31Å; R155-F594 WeakPolarHBondContact CG-O 3.34Å; R155-F594 PolarHBondContact NH1-O 3.46Å; R155-A597 PolarHBondContact NH1-O 3.37Å; R155-A597 PolarHBondContact NH2-O 3.06Å; R155-D598 PolarHBondContact NH2-O 3.5Å; R155-I621 VanDerWaalsContact CZ-CG1 3.45Å
156E95.8Very high95.2Very high9 Ų927.3 Ų27.34%0.04212%0.122CC..Hα-helixtrans-57.9-47.7178.1-174.3-174.4-134.700110.6L152 M153 L154 Y158 S159 K160 F166 S171 R175L152-E156 WeakPolarHBondContact O-CB 3.37Å; L152-E156 PolarHBondContact O-N 3.15Å; M153-E156 PolarHBondContact O-N 3.39Å; L154-E156 PolarHBondContact O-N 3.24Å; E156-Y158 PolarHBondContact O-N 2.91Å; E156-S159 PolarHBondContact O-N 2.93Å; E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.4Å; E156-K160 PolarHBondContact O-N 3.11Å; E156-F166 HydrophobicContact CB-CD1 4.11Å; E156-F166 HydrophobicContact CB-CD2 4.16Å; E156-F166 HydrophobicContact CB-CE1 3.88Å; E156-F166 HydrophobicContact CB-CE2 3.94Å; E156-F166 HydrophobicContact CB-CG 4.23Å; E156-F166 HydrophobicContact CB-CZ 3.79Å; E156-F166 HydrophobicContact CG-CD1 3.78Å; E156-F166 HydrophobicContact CG-CE1 3.9Å; E156-F166 HydrophobicContact CG-CG 4.11Å; E156-F166 HydrophobicContact CG-CZ 4.34Å; E156-S171 WeakPolarHBondContact OE1-CB 3.5Å; E156-S171 PolarHBondContact OE1-OG 2.99Å; E156-R175 IonicContact OE1-NH2 3.1Å; E156-R175 IonicContact OE2-CZ 3.78Å; E156-R175 IonicContact OE2-NH1 2.68Å; E156-R175 IonicContact OE2-NH2 3.11Å; E156-R175 PolarHBondContact OE2-NH2 3.1Å
157K93.8Very high95.3Very high67 Ų6724.5 Ų24.529%0.29111%0.113SC..Hα-helixtrans-57.1-49.9178.1-179-178.6-178.2179.20112.1Q8 F9 M153 L154 R155 L161Q8-K157 VanDerWaalsContact O-CE 3.31Å; Q8-K157 WeakPolarHBondContact O-CE 3.3Å; Q8-K157 PolarHBondContact O-NZ 3.33Å; F9-K157 HydrophobicContact CE1-CD 4.07Å; F9-K157 VanDerWaalsContact CE1-CE 3.48Å; F9-K157 HydrophobicContact CE1-CG 4.41Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 2.78Å; L154-K157 PolarHBondContact O-N 2.79Å; R155-K157 VanDerWaalsContact C-N 3.33Å; R155-K157 PolarHBondContact O-N 2.98Å; K157-L161 HydrophobicContact CG-CD1 4.15Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.41Å
158Y95.4Very high95.4Very high0 Ų025.2 Ų25.20%011%0.112CC..Hα-helixtrans-63.2-44.7179.6-85.1-114.1000111.1F9 L154 R155 E156 L161 A162 P243 Y248 D251 Y557 L595 T596F9-Y158 HydrophobicContact CE1-CD2 4.27Å; F9-Y158 AromaticContact CE1-CE2 3.88Å; F9-Y158 HydrophobicContact CE1-CE2 3.88Å; F9-Y158 HydrophobicContact CZ-CE2 4.49Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; L154-Y158 PolarHBondContact O-N 2.81Å; R155-Y158 PolarHBondContact O-N 3.46Å; E156-Y158 PolarHBondContact O-N 2.91Å; Y158-L161 PolarHBondContact O-N 3.4Å; Y158-A162 PolarHBondContact O-N 2.71Å; Y158-P243 HydrophobicContact CE1-CB 4.25Å; Y158-P243 HydrophobicContact CE1-CG 3.84Å; Y158-Y248 AromaticContact CE1-CD2 3.81Å; Y158-Y248 HydrophobicContact CE1-CD2 3.81Å; Y158-Y248 HydrophobicContact CE1-CE2 4.34Å; Y158-Y248 WeakPolarHBondContact OH-CA 3.48Å; Y158-D251 VanDerWaalsContact CE2-OD2 3.23Å; Y158-D251 WeakPolarHBondContact CE2-OD2 3.45Å; Y158-D251 PolarHBondContact OH-OD2 3.17Å; Y158-Y557 VanDerWaalsContact C-OH 3.26Å; Y158-Y557 VanDerWaalsContact CA-OH 3.24Å; Y158-Y557 WeakPolarHBondContact CA-OH 3.38Å; Y158-Y557 WeakPolarHBondContact CB-OH 3.24Å; Y158-Y557 AromaticContact CD1-CE1 3.56Å; Y158-Y557 HydrophobicContact CD1-CE1 3.56Å; Y158-Y557 AromaticContact CD1-CZ 3.62Å; Y158-Y557 WeakPolarHBondContact CD1-OH 3.31Å; Y158-Y557 AromaticContact CE1-CE1 3.98Å; Y158-Y557 HydrophobicContact CE1-CE1 3.98Å; Y158-Y557 PolarHBondContact O-OH 3.13Å; Y158-L595 WeakPolarHBondContact CB-O 3.39Å; Y158-L595 HydrophobicContact CD1-CB 4.3Å; Y158-T596 HydrophobicContact CD1-CG2 4.49Å
159S95.1Very high95.3Very high0 Ų025.3 Ų25.30%011%0.112CC..Hα-helixtrans-63-47.4-179.3-54.90000111.8R155 E156 L161 A162 Y163 H164R155-S159 VanDerWaalsContact O-CB 3.32Å; R155-S159 WeakPolarHBondContact O-CB 2.93Å; R155-S159 PolarHBondContact O-N 3.05Å; R155-S159 PolarHBondContact O-OG 3.23Å; E156-S159 PolarHBondContact O-N 2.93Å; S159-L161 PolarHBondContact O-N 3.47Å; S159-A162 PolarHBondContact O-N 3.12Å; S159-Y163 PolarHBondContact O-N 2.64Å; S159-H164 PolarHBondContact O-N 3.19Å
160K93.1Very high95.3Very high70 Ų7024.2 Ų24.230%0.30411%0.107SC..Hα-helixtrans-57.7-46.7-178.8-168.8175.4-175.2176.10111.7E156 A162 Y163 D186 V188E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.4Å; E156-K160 PolarHBondContact O-N 3.11Å; K160-A162 VanDerWaalsContact C-N 3.31Å; K160-A162 PolarHBondContact O-N 3.15Å; K160-Y163 PolarHBondContact O-N 3.07Å; K160-D186 IonicContact NZ-OD1 3.66Å; K160-D186 PolarHBondContact NZ-OD1 3.37Å; K160-V188 HydrophobicContact CD-CG2 4.43Å; K160-V188 HydrophobicContact CG-CB 4.33Å; K160-V188 HydrophobicContact CG-CG2 3.59Å
161L91.2Very high95.3Very high28 Ų2819.9 Ų19.915%0.1479%0.089CC..Hα-helixtrans-71.8-23.6-176.1-67.9175.5000113.6F9 K157 Y158 S159 P241 M561 N565F9-L161 HydrophobicContact CD2-CD1 4.03Å; F9-L161 HydrophobicContact CE1-CD1 4.35Å; F9-L161 HydrophobicContact CE2-CD1 3.23Å; F9-L161 HydrophobicContact CZ-CD1 3.43Å; F9-L161 VanDerWaalsContact CZ-CD1 3.43Å; K157-L161 HydrophobicContact CG-CD1 4.15Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.41Å; Y158-L161 PolarHBondContact O-N 3.4Å; S159-L161 PolarHBondContact O-N 3.47Å; L161-P241 HydrophobicContact CD2-CB 4.38Å; L161-M561 HydrophobicContact CB-CE 3.45Å; L161-M561 VanDerWaalsContact CB-CE 3.45Å; L161-M561 HydrophobicContact CB-SD 3.92Å; L161-M561 WeakPolarHBondContact O-CG 3.32Å; L161-N565 PolarHBondContact O-ND2 3.34Å
162A94.3Very high95.2Very high0 Ų022.9 Ų22.90%010%0.103CC..THydrogen-bonded Turntrans-94.30.9176.200000113.6Y158 S159 K160 H164 Y557 M561 N564Y158-A162 PolarHBondContact O-N 2.71Å; S159-A162 PolarHBondContact O-N 3.12Å; K160-A162 VanDerWaalsContact C-N 3.31Å; K160-A162 PolarHBondContact O-N 3.15Å; A162-H164 PolarHBondContact O-N 2.97Å; A162-Y557 HydrophobicContact CB-CE2 3.71Å; A162-M561 HydrophobicContact CB-CB 4.29Å; A162-M561 HydrophobicContact CB-CE 3.91Å; A162-M561 HydrophobicContact CB-CG 4.4Å; A162-N564 PolarHBondContact O-ND2 3.23Å
163Y95.3Very high95.1Very high43 Ų4325.3 Ų25.317%0.16911%0.113CC..THydrogen-bonded Turntrans58.629.2-169.1-55.8-94.1000113.5S159 K160 V188 P190 N564 N565 K568 T574S159-Y163 PolarHBondContact O-N 2.64Å; K160-Y163 PolarHBondContact O-N 3.07Å; Y163-V188 HydrophobicContact CD1-CG1 3.12Å; Y163-V188 HydrophobicContact CE1-CG1 3.77Å; Y163-V188 HydrophobicContact CG-CG1 3.81Å; Y163-P190 WeakPolarHBondContact O-CA 3.25Å; Y163-P190 VanDerWaalsContact O-CD 3.31Å; Y163-P190 WeakPolarHBondContact O-CD 3.48Å; Y163-P190 VanDerWaalsContact O-CG 3.23Å; Y163-P190 WeakPolarHBondContact O-CG 3.24Å; Y163-N564 HydrophobicContact CD2-CB 4Å; Y163-N565 HydrophobicContact CE2-CB 4.49Å; Y163-N565 WeakPolarHBondContact CE2-OD1 3.24Å; Y163-N565 PolarHBondContact OH-OD1 3.13Å; Y163-K568 HydrophobicContact CD1-CD 4.19Å; Y163-K568 HydrophobicContact CD1-CG 4.37Å; Y163-K568 HydrophobicContact CE1-CB 4.31Å; Y163-K568 HydrophobicContact CE1-CD 3.88Å; Y163-K568 HydrophobicContact CE1-CG 3.65Å; Y163-K568 HydrophobicContact CE2-CB 4.08Å; Y163-K568 HydrophobicContact CE2-CG 4.31Å; Y163-T574 HydrophobicContact CD2-CG2 4.5Å; Y163-T574 HydrophobicContact CG-CG2 4.45Å
164H95.8Very high95.1Very high2 Ų223.7 Ų23.71%0.00911%0.106CC..  trans-83.6155.1169-63.3167.9000110.4S159 A162 F577 T596 D598S159-H164 PolarHBondContact O-N 3.19Å; A162-H164 PolarHBondContact O-N 2.97Å; H164-F577 PolarHBondContact NE2-N 3.49Å; H164-F577 VanDerWaalsContact NE2-N 3.15Å; H164-T596 PolarHBondContact CE1-O 3.21Å; H164-T596 PolarHBondContact ND1-O 2.74Å; H164-T596 VanDerWaalsContact ND1-O 3.14Å; H164-D598 WeakPolarHBondContact CA-OD1 3.3Å; H164-D598 HydrophobicContact CB-CB 3.83Å
165R94.1Very high95Very high42 Ų4224.2 Ų24.216%0.15811%0.106CC..  trans-75.5142.4-178.2-63.5168.7-68.9-170-2.9111.3L189 P190 D598 N599 L696 Q697R165-L189 HydrophobicContact CG-CD2 4.25Å; R165-P190 HydrophobicContact CG-CG 4.03Å; R165-D598 IonicContact CZ-OD1 3.57Å; R165-D598 IonicContact CZ-OD2 2.7Å; R165-D598 VanDerWaalsContact CZ-OD2 3.24Å; R165-D598 PolarHBondContact N-OD1 3.27Å; R165-D598 IonicContact NE-OD1 2.76Å; R165-D598 PolarHBondContact NE-OD1 3.24Å; R165-D598 VanDerWaalsContact NE-OD1 3.15Å; R165-D598 IonicContact NE-OD2 2.65Å; R165-D598 PolarHBondContact NE-OD2 3.39Å; R165-D598 VanDerWaalsContact NE-OD2 3.1Å; R165-D598 IonicContact NH2-OD2 3.28Å; R165-D598 PolarHBondContact NH2-OD2 3.31Å; R165-N599 PolarHBondContact NH2-ND2 2.96Å; R165-L696 PolarHBondContact NH1-O 3.44Å; R165-Q697 PolarHBondContact NH2-O 2.89Å
166F95.6Very high94.8Very high30 Ų3026.4 Ų26.413%0.13212%0.122CC..  trans-132.8144.7169-168.6-99.6000109.3R155 E156 R168 T170 L174 A619R155-F166 HydrophobicContact CB-CE2 4.31Å; R155-F166 HydrophobicContact CG-CD2 4.17Å; R155-F166 HydrophobicContact CG-CE2 3.96Å; E156-F166 HydrophobicContact CB-CD1 4.11Å; E156-F166 HydrophobicContact CB-CD2 4.16Å; E156-F166 HydrophobicContact CB-CE1 3.88Å; E156-F166 HydrophobicContact CB-CE2 3.94Å; E156-F166 HydrophobicContact CB-CG 4.23Å; E156-F166 HydrophobicContact CB-CZ 3.79Å; E156-F166 HydrophobicContact CG-CD1 3.78Å; E156-F166 HydrophobicContact CG-CE1 3.9Å; E156-F166 HydrophobicContact CG-CG 4.11Å; E156-F166 HydrophobicContact CG-CZ 4.34Å; F166-R168 PolarHBondContact O-N 3.29Å; F166-T170 HydrophobicContact CE1-CG2 3.89Å; F166-T170 HydrophobicContact CZ-CG2 3.75Å; F166-L174 HydrophobicContact CE1-CD1 3.96Å; F166-L174 HydrophobicContact CZ-CD1 3.91Å; F166-A619 HydrophobicContact CE2-CB 4.18Å
167C95Very high94.5Very high15 Ų1526.1 Ų26.110%0.10112%0.121CC..  trans-63.9123.6-177.1-179.80000110.7T169 T170 S171 Q620C167-T169 PolarHBondContact O-N 3.05Å; C167-T170 WeakPolarHBondContact CB-OG1 3.19Å; C167-T170 PolarHBondContact O-N 3.23Å; C167-T170 PolarHBondContact SG-OG1 3Å; C167-S171 PolarHBondContact O-N 3.46Å; C167-Q620 HydrophobicContact CB-CB 4.04Å; C167-Q620 HydrophobicContact CB-CG 4.44Å
168R94.9Very high94.4Very high43 Ų4326.6 Ų26.616%0.16213%0.125CC..Hα-helixtrans-58.1-48.3-179177.4-174.5-67.3-165.9-3.5111.4F166 T170 S171 Q172 W182 E187 L714F166-R168 PolarHBondContact O-N 3.29Å; R168-T170 VanDerWaalsContact C-N 3.34Å; R168-T170 PolarHBondContact O-N 3.24Å; R168-S171 WeakPolarHBondContact O-CB 3.23Å; R168-S171 PolarHBondContact O-N 2.77Å; R168-Q172 WeakPolarHBondContact O-CG 3.23Å; R168-Q172 PolarHBondContact O-N 2.97Å; R168-W182 HydrophobicContact CG-CH2 3.72Å; R168-W182 HydrophobicContact CG-CZ2 3.59Å; R168-W182 HydrophobicContact CG-CZ3 4.48Å; R168-E187 IonicContact CZ-OE1 3.72Å; R168-E187 IonicContact CZ-OE2 2.76Å; R168-E187 IonicContact NE-OE1 3.76Å; R168-E187 PolarHBondContact NE-OE1 2.77Å; R168-E187 IonicContact NE-OE2 3.93Å; R168-E187 IonicContact NH2-OE1 3.22Å; R168-E187 PolarHBondContact NH2-OE1 3.2Å; R168-E187 VanDerWaalsContact NH2-OE1 3.11Å; R168-E187 IonicContact NH2-OE2 2.65Å; R168-E187 PolarHBondContact NH2-OE2 3.1Å; R168-L714 PolarHBondContact NE-O 3.01Å
169T96Very high94.1Very high1 Ų132.4 Ų32.41%0.00616%0.155CC..Hα-helixtrans-58-48178.5-59.20000111C167 S171 Q172 F173 D716 Y737 L744C167-T169 PolarHBondContact O-N 3.05Å; T169-S171 VanDerWaalsContact C-N 3.33Å; T169-S171 PolarHBondContact O-N 3.41Å; T169-Q172 WeakPolarHBondContact O-CB 3.43Å; T169-Q172 PolarHBondContact O-N 3.36Å; T169-Q172 VanDerWaalsContact O-N 3.16Å; T169-F173 HydrophobicContact CG2-CD2 3.92Å; T169-F173 HydrophobicContact CG2-CE2 3.86Å; T169-F173 WeakPolarHBondContact O-CD2 3.16Å; T169-F173 PolarHBondContact O-N 3.35Å; T169-D716 WeakPolarHBondContact CB-OD2 3.4Å; T169-D716 PolarHBondContact N-OD2 2.56Å; T169-D716 WeakPolarHBondContact OG1-CB 2.84Å; T169-D716 VanDerWaalsContact OG1-CG 3.24Å; T169-D716 PolarHBondContact OG1-OD2 2.96Å; T169-Y737 HydrophobicContact CG2-CE2 3.96Å; T169-Y737 WeakPolarHBondContact OG1-CE2 3.41Å; T169-L744 HydrophobicContact CG2-CD1 3.9Å
170T96.8Very high93.8Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-57.7-47.3177-50.90000111L152 F166 C167 R168 Q172 F173 L174 L618 L744L152-T170 HydrophobicContact CD1-CG2 4.29Å; L152-T170 HydrophobicContact CD2-CG2 4.31Å; F166-T170 HydrophobicContact CE1-CG2 3.89Å; F166-T170 HydrophobicContact CZ-CG2 3.75Å; C167-T170 WeakPolarHBondContact CB-OG1 3.19Å; C167-T170 PolarHBondContact O-N 3.23Å; C167-T170 PolarHBondContact SG-OG1 3Å; R168-T170 VanDerWaalsContact C-N 3.34Å; R168-T170 PolarHBondContact O-N 3.24Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 2.91Å; T170-F173 PolarHBondContact O-N 2.95Å; T170-L174 HydrophobicContact CG2-CD1 4.29Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 VanDerWaalsContact O-CG 3.28Å; T170-L174 WeakPolarHBondContact O-CG 3.37Å; T170-L174 PolarHBondContact O-N 3.37Å; T170-L618 WeakPolarHBondContact CG2-O 3.48Å; T170-L618 PolarHBondContact OG1-O 2.85Å; T170-L744 HydrophobicContact CG2-CD2 3.87Å
171S95.8Very high93.6Very high5 Ų540.3 Ų40.34%0.03520%0.199CC..Hα-helixtrans-56.5-43.8175.7-173.60000112.7E156 C167 R168 T169 F173 L174 R175 W182E156-S171 WeakPolarHBondContact OE1-CB 3.5Å; E156-S171 PolarHBondContact OE1-OG 2.99Å; C167-S171 PolarHBondContact O-N 3.46Å; R168-S171 WeakPolarHBondContact O-CB 3.23Å; R168-S171 PolarHBondContact O-N 2.77Å; T169-S171 VanDerWaalsContact C-N 3.33Å; T169-S171 PolarHBondContact O-N 3.41Å; S171-F173 PolarHBondContact O-N 3.34Å; S171-L174 PolarHBondContact O-N 3.38Å; S171-R175 WeakPolarHBondContact O-CG 3.21Å; S171-R175 PolarHBondContact O-N 3.42Å; S171-W182 PolarHBondContact OG-NE1 3.07Å
172Q95.3Very high93.5Very high64 Ų6440.9 Ų40.930%0.29920%0.199SC..Hα-helixtrans-61.1-43.6177.1-71.9172-9.800112.5R168 T169 T170 S176 W182R168-Q172 WeakPolarHBondContact O-CG 3.23Å; R168-Q172 PolarHBondContact O-N 2.97Å; T169-Q172 WeakPolarHBondContact O-CB 3.43Å; T169-Q172 PolarHBondContact O-N 3.36Å; T169-Q172 VanDerWaalsContact O-N 3.16Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 2.91Å; Q172-S176 VanDerWaalsContact O-CB 3.27Å; Q172-S176 WeakPolarHBondContact O-CB 3.46Å; Q172-S176 PolarHBondContact O-N 2.91Å; Q172-W182 HydrophobicContact CB-CB 4.42Å; Q172-W182 HydrophobicContact CB-CG 4.32Å; Q172-W182 HydrophobicContact CG-CB 3.91Å; Q172-W182 HydrophobicContact CG-CD2 3.52Å; Q172-W182 HydrophobicContact CG-CE3 3.9Å; Q172-W182 HydrophobicContact CG-CG 3.5Å; Q172-W182 VanDerWaalsContact CG-CG 3.5Å
173F96.3Very high93.3Very high51 Ų5145.3 Ų45.322%0.22422%0.223CC..Hα-helixtrans-67.1-38.3176.1-85.9-92.9000112.1T169 T170 S171 S176 A177 C741 L744 A748T169-F173 HydrophobicContact CG2-CD2 3.92Å; T169-F173 HydrophobicContact CG2-CE2 3.86Å; T169-F173 WeakPolarHBondContact O-CD2 3.16Å; T169-F173 PolarHBondContact O-N 3.35Å; T170-F173 PolarHBondContact O-N 2.95Å; S171-F173 PolarHBondContact O-N 3.34Å; F173-S176 PolarHBondContact O-N 3.06Å; F173-A177 WeakPolarHBondContact O-CB 3.06Å; F173-A177 PolarHBondContact O-N 2.91Å; F173-C741 HydrophobicContact CE2-CB 4.07Å; F173-C741 HydrophobicContact CZ-CB 3.9Å; F173-C741 WeakPolarHBondContact CZ-O 3.33Å; F173-L744 HydrophobicContact CB-CB 3.98Å; F173-L744 HydrophobicContact CB-CD1 4.39Å; F173-L744 HydrophobicContact CD1-CB 3.76Å; F173-L744 HydrophobicContact CD2-CB 3.94Å; F173-L744 HydrophobicContact CD2-CD1 3.83Å; F173-L744 HydrophobicContact CE1-CB 4.2Å; F173-L744 HydrophobicContact CE2-CB 4.36Å; F173-L744 HydrophobicContact CE2-CD1 4.38Å; F173-L744 HydrophobicContact CG-CB 3.62Å; F173-L744 HydrophobicContact CG-CD1 4.2Å; F173-L744 HydrophobicContact CG-CG 4.5Å; F173-L744 HydrophobicContact CZ-CB 4.48Å; F173-A748 HydrophobicContact CD1-CB 4.14Å
174L94.9Very high92.8Very high4 Ų449.3 Ų49.32%0.02125%0.246CC..Hα-helixtrans-62.2-50.5176-66.9176.1000111.4F149 L152 M153 F166 T170 S171 S176 A177 E178F149-L174 HydrophobicContact CD2-CD2 3.52Å; F149-L174 HydrophobicContact CE2-CB 4.34Å; F149-L174 HydrophobicContact CE2-CD2 3.4Å; F149-L174 VanDerWaalsContact CE2-CD2 3.4Å; F149-L174 HydrophobicContact CE2-CG 4.46Å; F149-L174 HydrophobicContact CG-CD2 4.43Å; F149-L174 HydrophobicContact CZ-CD2 4.22Å; L152-L174 HydrophobicContact CB-CD1 4Å; L152-L174 HydrophobicContact CB-CD2 3.92Å; L152-L174 HydrophobicContact CD1-CD2 4.23Å; M153-L174 HydrophobicContact CG-CD2 4.39Å; M153-L174 HydrophobicContact SD-CB 3.83Å; M153-L174 HydrophobicContact SD-CD1 3.87Å; M153-L174 HydrophobicContact SD-CD2 4.28Å; M153-L174 HydrophobicContact SD-CG 4.19Å; F166-L174 HydrophobicContact CE1-CD1 3.96Å; F166-L174 HydrophobicContact CZ-CD1 3.91Å; T170-L174 HydrophobicContact CG2-CD1 4.29Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 VanDerWaalsContact O-CG 3.28Å; T170-L174 WeakPolarHBondContact O-CG 3.37Å; T170-L174 PolarHBondContact O-N 3.37Å; S171-L174 PolarHBondContact O-N 3.38Å; L174-S176 VanDerWaalsContact C-N 3.34Å; L174-S176 PolarHBondContact O-N 3.47Å; L174-A177 WeakPolarHBondContact O-CB 3.47Å; L174-A177 PolarHBondContact O-N 3.23Å; L174-E178 PolarHBondContact O-N 3.15Å
175R93.6Very high92.2Very high31 Ų3157.9 Ų57.912%0.11729%0.286CS..Hα-helixtrans-60.2-44.2175.9-68.9-68.9173.5-102.8-23.2111.9E156 S171 A177 E178 N179 L180 W182 D186E156-R175 IonicContact OE1-NH2 3.1Å; E156-R175 IonicContact OE2-CZ 3.78Å; E156-R175 IonicContact OE2-NH1 2.68Å; E156-R175 IonicContact OE2-NH2 3.11Å; E156-R175 PolarHBondContact OE2-NH2 3.1Å; S171-R175 WeakPolarHBondContact O-CG 3.21Å; S171-R175 PolarHBondContact O-N 3.42Å; R175-A177 VanDerWaalsContact C-N 3.29Å; R175-A177 PolarHBondContact O-N 2.87Å; R175-E178 IonicContact NH1-OE2 2.79Å; R175-E178 PolarHBondContact NH1-OE2 2.87Å; R175-E178 VanDerWaalsContact NH1-OE2 3.1Å; R175-E178 CarbonylContact O-C 3.52Å; R175-E178 PolarHBondContact O-N 3.08Å; R175-E178 VanDerWaalsContact O-N 3.08Å; R175-N179 PolarHBondContact O-N 3.13Å; R175-L180 CarbonylContact C-O 3.55Å; R175-L180 HydrophobicContact CB-CB 4.23Å; R175-L180 PolarHBondContact O-N 3.47Å; R175-W182 HydrophobicContact CB-CB 4.13Å; R175-W182 HydrophobicContact CG-CB 4.2Å; R175-D186 IonicContact NE-OD2 3.18Å
176S92.4Very high91.5Very high49 Ų4957.6 Ų57.634%0.34329%0.288SS..Hα-helixtrans-59.5-41.4177.3-168.90000111.7Q172 F173 L174 E178 N179 K752Q172-S176 VanDerWaalsContact O-CB 3.27Å; Q172-S176 WeakPolarHBondContact O-CB 3.46Å; Q172-S176 PolarHBondContact O-N 2.91Å; F173-S176 PolarHBondContact O-N 3.06Å; L174-S176 VanDerWaalsContact C-N 3.34Å; L174-S176 PolarHBondContact O-N 3.47Å; S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 PolarHBondContact O-N 3.44Å; S176-N179 PolarHBondContact O-N 3.06Å; S176-K752 VanDerWaalsContact C-CE 3.42Å; S176-K752 WeakPolarHBondContact O-CE 3.42Å; S176-K752 PolarHBondContact O-NZ 3.38Å; S176-K752 PolarHBondContact OG-NZ 3.26Å
177A90.9Very high91.1Very high3 Ų358.2 Ų58.23%0.02529%0.291CS..Hα-helixtrans-61.2-33.7176.500000112.7F149 F173 L174 R175 N179 A748 V751F149-A177 HydrophobicContact CD2-CB 4.41Å; F149-A177 HydrophobicContact CE2-CB 3.55Å; F149-A177 HydrophobicContact CZ-CB 4.06Å; F173-A177 WeakPolarHBondContact O-CB 3.06Å; F173-A177 PolarHBondContact O-N 2.91Å; L174-A177 WeakPolarHBondContact O-CB 3.47Å; L174-A177 PolarHBondContact O-N 3.23Å; R175-A177 VanDerWaalsContact C-N 3.29Å; R175-A177 PolarHBondContact O-N 2.87Å; A177-N179 PolarHBondContact O-N 3.39Å; A177-A748 HydrophobicContact CB-CB 3.95Å; A177-V751 HydrophobicContact CB-CB 4.37Å; A177-V751 HydrophobicContact CB-CG1 4.33Å
178E90.1Very high90.8Very high78 Ų7858.8 Ų58.836%0.36429%0.294SS..THydrogen-bonded Turntrans-81.73.7173.8-59.9-174.7126.100113.6F149 M153 L174 R175 S176 L180F149-E178 HydrophobicContact CZ-CG 3.91Å; M153-E178 WeakPolarHBondContact CE-OE1 3.46Å; L174-E178 PolarHBondContact O-N 3.15Å; R175-E178 IonicContact NH1-OE2 2.79Å; R175-E178 PolarHBondContact NH1-OE2 2.87Å; R175-E178 VanDerWaalsContact NH1-OE2 3.1Å; R175-E178 CarbonylContact O-C 3.52Å; R175-E178 PolarHBondContact O-N 3.08Å; R175-E178 VanDerWaalsContact O-N 3.08Å; S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 PolarHBondContact O-N 3.44Å; E178-L180 HydrophobicContact CB-CD1 4.02Å; E178-L180 HydrophobicContact CB-CG 3.98Å; E178-L180 PolarHBondContact O-N 3.25Å
179N89.3Confident90.6Very high121 Ų12159.2 Ų59.265%0.64730%0.299SS*.THydrogen-bonded Turntrans57.829.5-170.9-56.8-60.8000113.8R175 S176 A177R175-N179 PolarHBondContact O-N 3.13Å; S176-N179 PolarHBondContact O-N 3.06Å; A177-N179 PolarHBondContact O-N 3.39Å
180L89.6Confident90.4Very high93 Ų9360.2 Ų60.249%0.48731%0.306SS..PPolyproline II helixtrans-99.7151.6173.8-60.9177000110.6R175 E178R175-L180 CarbonylContact C-O 3.55Å; R175-L180 HydrophobicContact CB-CB 4.23Å; R175-L180 PolarHBondContact O-N 3.47Å; E178-L180 HydrophobicContact CB-CD1 4.02Å; E178-L180 HydrophobicContact CB-CG 3.98Å; E178-L180 PolarHBondContact O-N 3.25Å
181I87.8Confident90.1Very high143 Ų14362.9 Ų62.973%0.73332%0.32SS*.PPolyproline II helixtrans-83.5134170.6-60.5172.7000107.3
182W91Very high90Very high40 Ų4064 Ų6415%0.15233%0.325CS..PPolyproline II helixtrans-83.4126.2171.6-179.290000109.5R168 S171 Q172 R175 I184 E187R168-W182 HydrophobicContact CG-CH2 3.72Å; R168-W182 HydrophobicContact CG-CZ2 3.59Å; R168-W182 HydrophobicContact CG-CZ3 4.48Å; S171-W182 PolarHBondContact OG-NE1 3.07Å; Q172-W182 HydrophobicContact CB-CB 4.42Å; Q172-W182 HydrophobicContact CB-CG 4.32Å; Q172-W182 HydrophobicContact CG-CB 3.91Å; Q172-W182 HydrophobicContact CG-CD2 3.52Å; Q172-W182 HydrophobicContact CG-CE3 3.9Å; Q172-W182 HydrophobicContact CG-CG 3.5Å; Q172-W182 VanDerWaalsContact CG-CG 3.5Å; R175-W182 HydrophobicContact CB-CB 4.13Å; R175-W182 HydrophobicContact CG-CB 4.2Å; W182-I184 HydrophobicContact CH2-CG1 4.17Å; W182-I184 HydrophobicContact CZ3-CG1 3.86Å; W182-E187 HydrophobicContact CZ2-CB 4.03Å
183D88.1Confident89.8Confident94 Ų9462.3 Ų62.350%0.50332%0.32SS..  trans-106.8151.5177.1-73.9-46.6000111.3E185 D186D183-E185 PolarHBondContact O-N 2.92Å; D183-D186 PolarHBondContact N-OD2 3.23Å; D183-D186 VanDerWaalsContact O-CB 3.28Å; D183-D186 WeakPolarHBondContact O-CB 3.48Å; D183-D186 PolarHBondContact O-N 3.47Å
184I85.3Confident89.4Confident127 Ų12763.1 Ų63.165%0.65133%0.331SS*.G310 helixtrans-60.5-29177.7-67.8164.2000111.2W182 D186 E187W182-I184 HydrophobicContact CH2-CG1 4.17Å; W182-I184 HydrophobicContact CZ3-CG1 3.86Å; I184-D186 PolarHBondContact O-N 3.08Å; I184-E187 WeakPolarHBondContact O-CB 3.11Å; I184-E187 PolarHBondContact O-N 2.89Å; I184-E187 VanDerWaalsContact O-N 3.08Å
185E82.5Confident88.9Confident182 Ų18264.4 Ų64.485%0.8534%0.339SS*.G310 helixtrans-67.4-16.6176.1-60.8-174.6178.400113.2D183 E187D183-E185 PolarHBondContact O-N 2.92Å; E185-E187 PolarHBondContact O-N 2.76Å
186D79.9Confident88.5Confident35 Ų3564.5 Ų64.519%0.18734%0.344CS..G310 helixtrans-71.9-21.8171.4-74.9-46.2000112.7K160 R175 D183 I184 V188K160-D186 IonicContact NZ-OD1 3.66Å; K160-D186 PolarHBondContact NZ-OD1 3.37Å; R175-D186 IonicContact NE-OD2 3.18Å; D183-D186 PolarHBondContact N-OD2 3.23Å; D183-D186 VanDerWaalsContact O-CB 3.28Å; D183-D186 WeakPolarHBondContact O-CB 3.48Å; D183-D186 PolarHBondContact O-N 3.47Å; I184-D186 PolarHBondContact O-N 3.08Å; D186-V188 PolarHBondContact O-N 3.21Å
187E87.6Confident88.1Confident43 Ų4366.4 Ų66.420%0.20135%0.354CS..  trans-79.2109.8178.1-166179.2-122.800111R168 W182 I184 E185 L189R168-E187 IonicContact CZ-OE1 3.72Å; R168-E187 IonicContact CZ-OE2 2.76Å; R168-E187 IonicContact NE-OE1 3.76Å; R168-E187 PolarHBondContact NE-OE1 2.77Å; R168-E187 IonicContact NE-OE2 3.93Å; R168-E187 IonicContact NH2-OE1 3.22Å; R168-E187 PolarHBondContact NH2-OE1 3.2Å; R168-E187 VanDerWaalsContact NH2-OE1 3.11Å; R168-E187 IonicContact NH2-OE2 2.65Å; R168-E187 PolarHBondContact NH2-OE2 3.1Å; W182-E187 HydrophobicContact CZ2-CB 4.03Å; I184-E187 WeakPolarHBondContact O-CB 3.11Å; I184-E187 PolarHBondContact O-N 2.89Å; I184-E187 VanDerWaalsContact O-N 3.08Å; E185-E187 PolarHBondContact O-N 2.76Å; E187-L189 HydrophobicContact CG-CD2 4.48Å
188V89.7Confident87.5Confident28 Ų2873.9 Ų73.917%0.1740%0.399CS..  trans-102.1133.4174.7-175.60000109.7K160 Y163 D186K160-V188 HydrophobicContact CD-CG2 4.43Å; K160-V188 HydrophobicContact CG-CB 4.33Å; K160-V188 HydrophobicContact CG-CG2 3.59Å; Y163-V188 HydrophobicContact CD1-CG1 3.12Å; Y163-V188 HydrophobicContact CE1-CG1 3.77Å; Y163-V188 HydrophobicContact CG-CG1 3.81Å; D186-V188 PolarHBondContact O-N 3.21Å
189L90.1Very high86.9Confident51 Ų5174 Ų7427%0.26742%0.422SS..  trans-123148.2177.3-62.6175.5000110.4R165 E187 D191 L714R165-L189 HydrophobicContact CG-CD2 4.25Å; E187-L189 HydrophobicContact CG-CD2 4.48Å; L189-D191 PolarHBondContact O-N 3.32Å; L189-L714 HydrophobicContact CD1-CD1 3.98Å; L189-L714 HydrophobicContact CD1-CD2 3.65Å; L189-L714 HydrophobicContact CD1-CG 4.5Å; L189-L714 HydrophobicContact CD2-CD2 4.37Å
190P91.3Very high86.9Confident22 Ų2273.8 Ų73.814%0.14342%0.416CS..  trans-61.6132.2168.7-14.122.3000110.6Y163 R165 M192 T574 Q576Y163-P190 WeakPolarHBondContact O-CA 3.25Å; Y163-P190 VanDerWaalsContact O-CD 3.31Å; Y163-P190 WeakPolarHBondContact O-CD 3.48Å; Y163-P190 VanDerWaalsContact O-CG 3.23Å; Y163-P190 WeakPolarHBondContact O-CG 3.24Å; R165-P190 HydrophobicContact CG-CG 4.03Å; P190-M192 HydrophobicContact CB-CE 3.96Å; P190-M192 PolarHBondContact O-N 3.07Å; P190-T574 WeakPolarHBondContact CA-OG1 3.35Å; P190-Q576 HydrophobicContact CB-CG 3.95Å; P190-Q576 HydrophobicContact CG-CG 3.79Å
191D91.8Very high86.9Confident57 Ų5774 Ų7431%0.30542%0.418SS..  trans-83.7113.8170.5-77.8-8.7000109.4L189 K568 N573 T574L189-D191 PolarHBondContact O-N 3.32Å; D191-K568 IonicContact OD1-NZ 3.42Å; D191-K568 PolarHBondContact OD1-NZ 3.21Å; D191-K568 WeakPolarHBondContact OD2-CD 3.27Å; D191-K568 WeakPolarHBondContact OD2-CE 3.34Å; D191-K568 IonicContact OD2-NZ 3.58Å; D191-K568 PolarHBondContact OD2-NZ 2.97Å; D191-N573 CarbonylContact O-C 3.54Å; D191-N573 WeakPolarHBondContact O-CA 3.45Å; D191-N573 VanDerWaalsContact O-CB 3.28Å; D191-N573 WeakPolarHBondContact O-CB 3.47Å; D191-T574 PolarHBondContact N-OG1 3.38Å; D191-T574 PolarHBondContact O-N 3.11Å; D191-T574 PolarHBondContact O-OG1 3.07Å
192M93.3Very high87Confident29 Ų2968.4 Ų68.414%0.14339%0.391CS..  trans-109.5138.2174.9-63.6-60.7179.100109.7P190 S515 Q576 G699P190-M192 HydrophobicContact CB-CE 3.96Å; P190-M192 PolarHBondContact O-N 3.07Å; M192-S515 WeakPolarHBondContact CE-O 3.23Å; M192-Q576 HydrophobicContact CE-CG 3.61Å; M192-G699 WeakPolarHBondContact CG-O 3.23Å
193S89.9Confident87.1Confident27 Ų2767.9 Ų67.919%0.18939%0.39CS..PPolyproline II helixtrans-63.1133.4174.5-46.40000109.7K512 N573S193-K512 VanDerWaalsContact CB-O 3.22Å; S193-K512 WeakPolarHBondContact CB-O 3.21Å; S193-K512 WeakPolarHBondContact OG-CA 3.45Å; S193-K512 PolarHBondContact OG-O 2.89Å; S193-N573 WeakPolarHBondContact OG-CB 3.26Å
194P87.4Confident87.2Confident69 Ų6965 Ų6545%0.44838%0.377SS..PPolyproline II helixtrans-65.6153.7172.929-33.7000110.5
195C84.6Confident87.5Confident30 Ų3061.5 Ų61.520%0.20336%0.358CS..PPolyproline II helixtrans-60.3136.7169.1-163.40000109.5
196P86.6Confident87.6Confident34 Ų3458.2 Ų58.222%0.22135%0.347CS..PPolyproline II helixtrans-54.2141.1171.5-2736.4000111.5E200 P202 Y513P196-E200 HydrophobicContact CB-CB 4.22Å; P196-P202 HydrophobicContact CG-CB 3.97Å; P196-Y513 HydrophobicContact CG-CE1 4.37Å; P196-Y513 WeakPolarHBondContact CG-OH 3.3Å
197T83.1Confident87.8Confident88 Ų8864.3 Ų64.354%0.5438%0.379SS..PPolyproline II helixtrans-78.2165.4178.663.50000111.5G199 E200T197-G199 PolarHBondContact O-N 2.89Å; T197-G199 VanDerWaalsContact O-N 3.07Å; T197-E200 PolarHBondContact N-OE2 3.27Å; T197-E200 PolarHBondContact O-N 3.1Å; T197-E200 WeakPolarHBondContact OG1-CG 3.41Å; T197-E200 PolarHBondContact OG1-OE1 2.95Å; T197-E200 PolarHBondContact OG1-OE2 3.48Å
198V78.3Confident88Confident160 Ų16062.9 Ų62.997%0.9737%0.372SS*.THydrogen-bonded Turntrans-60.9115.9-178-178.30000110
199G78.6Confident88.1Confident82 Ų8263.3 Ų63.385%0.84538%0.376SS*.THydrogen-bonded Turntrans100.9-8.4179.800000114.8T197T197-G199 PolarHBondContact O-N 2.89Å; T197-G199 VanDerWaalsContact O-N 3.07Å
200E87.7Confident88.3Confident115 Ų11568.4 Ų68.454%0.53740%0.399SS..  trans-80141.1169.2-70.8177.5152.600110.6P196 T197 P202P196-E200 HydrophobicContact CB-CB 4.22Å; T197-E200 PolarHBondContact N-OE2 3.27Å; T197-E200 PolarHBondContact O-N 3.1Å; T197-E200 WeakPolarHBondContact OG1-CG 3.41Å; T197-E200 PolarHBondContact OG1-OE1 2.95Å; T197-E200 PolarHBondContact OG1-OE2 3.48Å; E200-P202 VanDerWaalsContact O-CD 3.24Å; E200-P202 WeakPolarHBondContact O-CD 3.47Å
201D89.7Confident88.4Confident97 Ų9770 Ų7052%0.51941%0.406SS..  trans-79113.3174.4-179.39.6000109.9Y203 S204D201-Y203 PolarHBondContact O-N 3.38Å; D201-Y203 PolarHBondContact OD1-N 3.29Å; D201-S204 PolarHBondContact O-N 3.19Å; D201-S204 VanDerWaalsContact O-N 3.12Å
202P90.8Very high88.3Confident27 Ų2770.1 Ų70.118%0.17541%0.406CS..THydrogen-bonded Turntrans-60.5-17176.724.9-34.2000113.2P196 E200 H457 Y513P196-P202 HydrophobicContact CG-CB 3.97Å; E200-P202 VanDerWaalsContact O-CD 3.24Å; E200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-H457 HydrophobicContact CB-CB 4.07Å; P202-H457 HydrophobicContact CG-CB 4.27Å; P202-Y513 VanDerWaalsContact C-OH 3.29Å; P202-Y513 WeakPolarHBondContact CA-OH 3.5Å; P202-Y513 WeakPolarHBondContact CB-OH 3.42Å; P202-Y513 PolarHBondContact O-OH 2.76Å
203Y93.3Very high88.2Confident29 Ų2974 Ų7411%0.11443%0.427CS..THydrogen-bonded Turntrans-107.310.9-178.2-50.6-64.4000113.6D201 M205 F451 I452 K455 L456 H457D201-Y203 PolarHBondContact O-N 3.38Å; D201-Y203 PolarHBondContact OD1-N 3.29Å; Y203-M205 PolarHBondContact O-N 3.17Å; Y203-F451 HydrophobicContact CD1-CE1 4.37Å; Y203-F451 HydrophobicContact CE1-CD1 4.29Å; Y203-F451 AromaticContact CE1-CE1 3.76Å; Y203-F451 HydrophobicContact CE1-CE1 3.76Å; Y203-F451 HydrophobicContact CE1-CZ 4.3Å; Y203-I452 HydrophobicContact CD1-CD1 3.54Å; Y203-I452 HydrophobicContact CE1-CD1 4.24Å; Y203-I452 HydrophobicContact CG-CD1 4.45Å; Y203-K455 HydrophobicContact CD2-CG 4.39Å; Y203-K455 HydrophobicContact CE2-CB 3.84Å; Y203-K455 HydrophobicContact CE2-CD 4.37Å; Y203-K455 HydrophobicContact CE2-CG 3.85Å; Y203-K455 WeakPolarHBondContact OH-CA 3.41Å; Y203-K455 PolarHBondContact OH-O 3.08Å; Y203-L456 PolarHBondContact OH-N 2.92Å; Y203-H457 HydrophobicContact CE1-CB 4.14Å; Y203-H457 WeakPolarHBondContact OH-CA 3.42Å; Y203-H457 WeakPolarHBondContact OH-CB 3.29Å; Y203-H457 PolarHBondContact OH-N 3.38Å
204S90.3Very high88.3Confident33 Ų3375.2 Ų75.223%0.23143%0.429CS..  trans-56.3127.6179.7173.70000110.8D201 D206D201-S204 PolarHBondContact O-N 3.19Å; D201-S204 VanDerWaalsContact O-N 3.12Å; S204-D206 VanDerWaalsContact C-N 3.29Å; S204-D206 VanDerWaalsContact OG-CB 3.32Å; S204-D206 WeakPolarHBondContact OG-CB 3.15Å; S204-D206 PolarHBondContact OG-N 2.91Å; S204-D206 VanDerWaalsContact OG-N 3.13Å; S204-D206 PolarHBondContact OG-OD2 3.34Å
205M90.3Very high88.5Confident54 Ų5476.3 Ų76.327%0.26643%0.429SS..  trans-9714.2174-59.5-69.2168.700111.2Y203 I208 I452 K505 E506 V509Y203-M205 PolarHBondContact O-N 3.17Å; M205-I208 HydrophobicContact CB-CD1 4Å; M205-I208 VanDerWaalsContact O-CD1 3.26Å; M205-I208 WeakPolarHBondContact O-CD1 3.44Å; M205-I208 WeakPolarHBondContact O-CG1 3.39Å; M205-I208 HydrophobicContact SD-CD1 4.13Å; M205-I452 HydrophobicContact CE-CD1 4.06Å; M205-I452 HydrophobicContact CE-CG1 4.23Å; M205-I452 HydrophobicContact CE-CG2 4.26Å; M205-K505 HydrophobicContact SD-CB 3.76Å; M205-E506 HydrophobicContact CE-CG 4.27Å; M205-V509 HydrophobicContact CE-CB 3.94Å; M205-V509 HydrophobicContact CE-CG1 4.35Å; M205-V509 HydrophobicContact CE-CG2 3.74Å; M205-V509 HydrophobicContact SD-CB 4.18Å; M205-V509 HydrophobicContact SD-CG2 3.35Å; M205-V509 WeakPolarHBondContact SD-CG2 3.23Å
206D85.4Confident89Confident113 Ų11376.4 Ų76.460%0.60443%0.427SS*.THydrogen-bonded Turntrans-83.7155176.8-52.4-49.3000109.8S204 I208S204-D206 VanDerWaalsContact C-N 3.29Å; S204-D206 VanDerWaalsContact OG-CB 3.32Å; S204-D206 WeakPolarHBondContact OG-CB 3.15Å; S204-D206 PolarHBondContact OG-N 2.91Å; S204-D206 VanDerWaalsContact OG-N 3.13Å; S204-D206 PolarHBondContact OG-OD2 3.34Å; D206-I208 PolarHBondContact O-N 2.98Å
207N84.7Confident89.3Confident163 Ų16379.9 Ų79.987%0.87244%0.439SS*.THydrogen-bonded Turntrans57.528.2179.1-53.2-43.4000115
208I90.2Very high89.8Confident12 Ų1277.2 Ų77.26%0.06242%0.42CS..PPolyproline II helixtrans-65.9132.5172.6-67.8177.7000109.2M205 D206 P501 Q502 K505M205-I208 HydrophobicContact CB-CD1 4Å; M205-I208 VanDerWaalsContact O-CD1 3.26Å; M205-I208 WeakPolarHBondContact O-CD1 3.44Å; M205-I208 WeakPolarHBondContact O-CG1 3.39Å; M205-I208 HydrophobicContact SD-CD1 4.13Å; D206-I208 PolarHBondContact O-N 2.98Å; I208-P501 HydrophobicContact CG2-CB 3.36Å; I208-Q502 HydrophobicContact CG2-CG 4.41Å; I208-Q502 PolarHBondContact O-NE2 3.33Å; I208-K505 HydrophobicContact CD1-CB 3.68Å; I208-K505 HydrophobicContact CD1-CD 3.87Å; I208-K505 HydrophobicContact CD1-CG 3.63Å
209P92.6Very high90.4Very high38 Ų3874.6 Ų74.625%0.24739%0.393CS..PPolyproline II helixtrans-61.3151.4-179.6-2231.4000113.4P501 R570 L572P209-P501 HydrophobicContact CB-CG 4.2Å; P209-P501 HydrophobicContact CG-CG 4.43Å; P209-R570 VanDerWaalsContact CB-NH2 3.34Å; P209-L572 HydrophobicContact CG-CD2 4.24Å
210E93.4Very high90.9Very high158 Ų15873.4 Ų73.474%0.73837%0.367SS*.PPolyproline II helixtrans-70.1171.5178.5-64.2-168.8167.100112.9R570E210-R570 PolarHBondContact O-NH1 2.91Å; E210-R570 PolarHBondContact O-NH2 2.92Å
211N93.9Very high91.1Very high56 Ų5668 Ų6830%0.29934%0.342SS..PPolyproline II helixtrans-74.5131175.7-17413.9000110.9N213 V499 N500N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact ND2-OD1 2.63Å; N211-N213 PolarHBondContact OD1-N 2.79Å; N211-V499 PolarHBondContact OD1-O 3.33Å; N211-N500 HydrophobicContact CB-CB 4.26Å; N211-N500 PolarHBondContact ND2-ND2 3.46Å; N211-N500 WeakPolarHBondContact OD1-CB 3.37Å
212L90.6Very high91.4Very high58 Ų5863.6 Ų63.630%0.30432%0.319SS..  trans-76.4-13.3171.7-63.7-177000113.3F214 V499 R570L212-F214 HydrophobicContact CB-CD1 4.05Å; L212-F214 HydrophobicContact CB-CD2 4.04Å; L212-F214 HydrophobicContact CB-CE1 4.24Å; L212-F214 HydrophobicContact CB-CE2 4.24Å; L212-F214 HydrophobicContact CB-CG 3.96Å; L212-F214 HydrophobicContact CB-CZ 4.34Å; L212-F214 HydrophobicContact CD1-CD2 3.92Å; L212-F214 HydrophobicContact CD1-CE2 3.7Å; L212-F214 HydrophobicContact CD1-CZ 4.27Å; L212-F214 WeakPolarHBondContact O-CD1 3.42Å; L212-F214 PolarHBondContact O-N 2.81Å; L212-V499 HydrophobicContact CB-CG1 4.32Å; L212-V499 PolarHBondContact N-O 3.36Å; L212-R570 VanDerWaalsContact CD1-CD 3.48Å; L212-R570 HydrophobicContact CD1-CG 3.94Å
213N89.8Confident91.6Very high110 Ų11062.4 Ų62.459%0.58831%0.31SS*.  trans60.419.3-174.7-52.4-59.3000114.4N211N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact ND2-OD1 2.63Å; N211-N213 PolarHBondContact OD1-N 2.79Å
214F92.3Very high91.6Very high53 Ų5361.4 Ų61.423%0.23231%0.308CS..  trans-71.8146.9173.4-64.7-9.7000111.3L212 V225 Y226 D227 V499 L566L212-F214 HydrophobicContact CB-CD1 4.05Å; L212-F214 HydrophobicContact CB-CD2 4.04Å; L212-F214 HydrophobicContact CB-CE1 4.24Å; L212-F214 HydrophobicContact CB-CE2 4.24Å; L212-F214 HydrophobicContact CB-CG 3.96Å; L212-F214 HydrophobicContact CB-CZ 4.34Å; L212-F214 HydrophobicContact CD1-CD2 3.92Å; L212-F214 HydrophobicContact CD1-CE2 3.7Å; L212-F214 HydrophobicContact CD1-CZ 4.27Å; L212-F214 WeakPolarHBondContact O-CD1 3.42Å; L212-F214 PolarHBondContact O-N 2.81Å; F214-V225 HydrophobicContact CB-CG1 4Å; F214-V225 HydrophobicContact CD2-CG1 3.57Å; F214-V225 HydrophobicContact CE2-CG1 4.35Å; F214-V225 HydrophobicContact CG-CG1 4.11Å; F214-Y226 CarbonylContact C-O 3.37Å; F214-Y226 VanDerWaalsContact CA-O 3.27Å; F214-Y226 WeakPolarHBondContact CA-O 3.29Å; F214-Y226 WeakPolarHBondContact CB-O 3.43Å; F214-D227 WeakPolarHBondContact CD1-O 3.36Å; F214-D227 HydrophobicContact CE1-CB 4.36Å; F214-V499 HydrophobicContact CB-CG1 3.89Å; F214-V499 HydrophobicContact CB-CG2 4.14Å; F214-L566 HydrophobicContact CD2-CD1 4.37Å; F214-L566 HydrophobicContact CE2-CD1 4.29Å
215E92.8Very high91.7Very high93 Ų9360 Ų6044%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-98.3148.9174.3-68.2-66.3169.400110.7Y226 L232E215-Y226 PolarHBondContact N-O 2.86Å; E215-Y226 PolarHBondContact O-N 3.17Å; E215-L232 HydrophobicContact CB-CB 4.4Å; E215-L232 HydrophobicContact CB-CD2 4.12Å; E215-L232 HydrophobicContact CG-CD2 4.39Å
216L94.5Very high91.8Very high32 Ų3257.4 Ų57.417%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-128131.9-172.5-61.7170.4000110.7V223 V225 L492 F495 K496 V499L216-V223 HydrophobicContact CD2-CG1 4.25Å; L216-V225 HydrophobicContact CD2-CB 4.37Å; L216-V225 HydrophobicContact CD2-CG1 4.32Å; L216-V225 HydrophobicContact CD2-CG2 3.89Å; L216-L492 HydrophobicContact CB-CD1 3.93Å; L216-L492 HydrophobicContact CD1-CD1 4.38Å; L216-F495 HydrophobicContact CD1-CB 3.67Å; L216-F495 HydrophobicContact CD2-CB 4.07Å; L216-F495 HydrophobicContact CD2-CD1 4.26Å; L216-F495 HydrophobicContact CG-CB 4.48Å; L216-K496 HydrophobicContact CD1-CB 4.43Å; L216-K496 HydrophobicContact CD1-CG 3.77Å; L216-V499 HydrophobicContact CD1-CG2 4.12Å; L216-V499 HydrophobicContact CD2-CG2 4.04Å; L216-V499 HydrophobicContact CG-CG2 4.31Å
217K93.1Very high91.9Very high107 Ų10756 Ų5647%0.46528%0.277SS..EExtended strand (participates in β ladder)trans-145.1130.5174.9-176.1-178.9175.3-174.40110.8C224 Y226 L232K217-C224 PolarHBondContact N-O 2.9Å; K217-C224 VanDerWaalsContact N-O 3.07Å; K217-C224 PolarHBondContact O-N 2.85Å; K217-Y226 HydrophobicContact CB-CE2 3.89Å; K217-L232 HydrophobicContact CB-CD1 4.13Å; K217-L232 HydrophobicContact CD-CD1 4.06Å
218M92.7Very high92.1Very high31 Ų3151.7 Ų51.715%0.15326%0.255CS..EExtended strand (participates in β ladder)trans-77.6129.5171.8-175.5162.5-79.600110.2I222 V223 L487 E488M218-I222 WeakPolarHBondContact CA-O 3.25Å; M218-V223 HydrophobicContact CE-CG2 3.5Å; M218-L487 HydrophobicContact CE-CB 3.92Å; M218-L487 HydrophobicContact SD-CB 3.89Å; M218-E488 HydrophobicContact CE-CB 4.39Å; M218-E488 HydrophobicContact SD-CB 3.87Å
219R90.6Very high91.9Very high105 Ų10552.7 Ų52.740%0.39627%0.268SS..EExtended strand (participates in β ladder)trans-136.6124.2179.6-176.2-174.6-178.3167.37.1110.1G221 I222 D235R219-G221 PolarHBondContact O-N 2.63Å; R219-I222 PolarHBondContact N-O 3.21Å; R219-I222 PolarHBondContact O-N 2.97Å; R219-I222 VanDerWaalsContact O-N 3.08Å; R219-D235 IonicContact CZ-OD2 2.92Å; R219-D235 VanDerWaalsContact CZ-OD2 3.31Å; R219-D235 IonicContact NH1-OD1 2.71Å; R219-D235 PolarHBondContact NH1-OD1 2.99Å; R219-D235 IonicContact NH1-OD2 3.76Å; R219-D235 PolarHBondContact NH1-OD2 3.17Å; R219-D235 IonicContact NH2-OD2 2.7Å; R219-D235 PolarHBondContact NH2-OD2 3.15Å
220N90.9Very high91.6Very high58 Ų5857.4 Ų57.431%0.3129%0.286SS..THydrogen-bonded Turntrans53.335.3-176-47.7-49.1000111.6I222 K537 E539 Y555N220-I222 VanDerWaalsContact C-N 3.31Å; N220-I222 PolarHBondContact O-N 2.98Å; N220-K537 HydrophobicContact CB-CD 4.34Å; N220-K537 WeakPolarHBondContact OD1-CD 3.45Å; N220-K537 WeakPolarHBondContact OD1-CE 3.5Å; N220-K537 PolarHBondContact OD1-NZ 3.06Å; N220-E539 WeakPolarHBondContact CA-OE1 3.4Å; N220-E539 WeakPolarHBondContact CA-OE2 3.43Å; N220-E539 PolarHBondContact N-OE1 2.82Å; N220-Y555 WeakPolarHBondContact O-CE1 3.06Å
221G92Very high91.2Very high0 Ų050.6 Ų50.60%026%0.257CS..THydrogen-bonded Turntrans71.35-175.600000118R219 E539 N559R219-G221 PolarHBondContact O-N 2.63Å; G221-E539 PolarHBondContact N-OE1 2.86Å; G221-N559 PolarHBondContact O-ND2 3.22Å
222I95.3Very high90.9Very high6 Ų650.5 Ų50.53%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-107.9136.8171.1-56.2-61000108.9M218 R219 N220 C224 Y242 Y555 V562M218-I222 WeakPolarHBondContact CA-O 3.25Å; R219-I222 PolarHBondContact N-O 3.21Å; R219-I222 PolarHBondContact O-N 2.97Å; R219-I222 VanDerWaalsContact O-N 3.08Å; N220-I222 VanDerWaalsContact C-N 3.31Å; N220-I222 PolarHBondContact O-N 2.98Å; I222-C224 PolarHBondContact O-N 3.28Å; I222-Y242 HydrophobicContact CB-CE2 4.44Å; I222-Y242 HydrophobicContact CG1-CD2 4.25Å; I222-Y242 HydrophobicContact CG1-CE2 4.16Å; I222-Y242 HydrophobicContact CG2-CD1 4.35Å; I222-Y242 HydrophobicContact CG2-CD2 4.24Å; I222-Y242 HydrophobicContact CG2-CE1 4.36Å; I222-Y242 HydrophobicContact CG2-CE2 4.25Å; I222-Y242 HydrophobicContact CG2-CG 4.29Å; I222-Y555 HydrophobicContact CD1-CD1 3.93Å; I222-Y555 HydrophobicContact CG1-CD1 4.46Å; I222-V562 HydrophobicContact CG2-CG2 4.07Å
223V94.8Very high90.7Very high1 Ų156 Ų561%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-73.3121.8173.7-179.60000109.8L216 M218 F491 L492 F495 N559L216-V223 HydrophobicContact CD2-CG1 4.25Å; M218-V223 HydrophobicContact CE-CG2 3.5Å; V223-F491 HydrophobicContact CG2-CB 4.3Å; V223-L492 HydrophobicContact CG1-CD1 4.47Å; V223-F495 HydrophobicContact CB-CD1 4.42Å; V223-F495 HydrophobicContact CB-CD2 3.84Å; V223-F495 HydrophobicContact CB-CE1 4.26Å; V223-F495 HydrophobicContact CB-CE2 3.66Å; V223-F495 HydrophobicContact CB-CG 4.23Å; V223-F495 HydrophobicContact CB-CZ 3.87Å; V223-F495 HydrophobicContact CG1-CB 4.23Å; V223-F495 HydrophobicContact CG1-CD1 3.84Å; V223-F495 HydrophobicContact CG1-CD2 3.81Å; V223-F495 HydrophobicContact CG1-CE1 4.1Å; V223-F495 HydrophobicContact CG1-CE2 4.07Å; V223-F495 HydrophobicContact CG1-CG 3.7Å; V223-F495 HydrophobicContact CG1-CZ 4.2Å; V223-F495 HydrophobicContact CG2-CD2 3.8Å; V223-F495 HydrophobicContact CG2-CE2 3.82Å; V223-F495 HydrophobicContact CG2-CG 4.5Å; V223-N559 PolarHBondContact N-OD1 3.27Å
224C93.1Very high90.5Very high9 Ų956 Ų566%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-96.2137170-620000109.9K217 I222 Y226 P237K217-C224 PolarHBondContact N-O 2.9Å; K217-C224 VanDerWaalsContact N-O 3.07Å; K217-C224 PolarHBondContact O-N 2.85Å; I222-C224 PolarHBondContact O-N 3.28Å; C224-Y226 HydrophobicContact CB-CD2 4.45Å; C224-Y226 HydrophobicContact CB-CE2 3.63Å; C224-P237 HydrophobicContact CB-CB 4.03Å
225V92.4Very high90.2Very high2 Ų256.3 Ų56.31%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-100.3138.7174.9-174.40000108F214 L216 P237 T238 L240 F495 L566F214-V225 HydrophobicContact CB-CG1 4Å; F214-V225 HydrophobicContact CD2-CG1 3.57Å; F214-V225 HydrophobicContact CE2-CG1 4.35Å; F214-V225 HydrophobicContact CG-CG1 4.11Å; L216-V225 HydrophobicContact CD2-CB 4.37Å; L216-V225 HydrophobicContact CD2-CG1 4.32Å; L216-V225 HydrophobicContact CD2-CG2 3.89Å; V225-P237 CarbonylContact O-C 3.52Å; V225-P237 WeakPolarHBondContact O-CA 3.46Å; V225-T238 PolarHBondContact O-N 2.86Å; V225-T238 PolarHBondContact O-OG1 3.03Å; V225-L240 HydrophobicContact CB-CD1 4.12Å; V225-L240 HydrophobicContact CG2-CD1 3.72Å; V225-F495 HydrophobicContact CG2-CD1 4.15Å; V225-F495 HydrophobicContact CG2-CE1 4.15Å; V225-L566 HydrophobicContact CG2-CD2 4.19Å
226Y92.2Very high89.9Confident0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-128.3132.9178.2-61.5-99.4000108.6F214 E215 K217 C224 D228 L232 D235 Q236 P237F214-Y226 CarbonylContact C-O 3.37Å; F214-Y226 VanDerWaalsContact CA-O 3.27Å; F214-Y226 WeakPolarHBondContact CA-O 3.29Å; F214-Y226 WeakPolarHBondContact CB-O 3.43Å; E215-Y226 PolarHBondContact N-O 2.86Å; E215-Y226 PolarHBondContact O-N 3.17Å; K217-Y226 HydrophobicContact CB-CE2 3.89Å; C224-Y226 HydrophobicContact CB-CD2 4.45Å; C224-Y226 HydrophobicContact CB-CE2 3.63Å; Y226-D228 VanDerWaalsContact C-N 3.26Å; Y226-D228 PolarHBondContact O-N 2.77Å; Y226-L232 HydrophobicContact CD1-CB 4.3Å; Y226-L232 HydrophobicContact CD1-CD1 4.22Å; Y226-L232 HydrophobicContact CD2-CD1 3.68Å; Y226-L232 HydrophobicContact CE1-CD1 4.18Å; Y226-L232 HydrophobicContact CE2-CD1 3.67Å; Y226-L232 HydrophobicContact CG-CB 4.22Å; Y226-L232 HydrophobicContact CG-CD1 3.96Å; Y226-D235 PolarHBondContact OH-OD1 3.31Å; Y226-Q236 WeakPolarHBondContact CD1-O 3.28Å; Y226-P237 HydrophobicContact CD1-CB 4.22Å; Y226-P237 HydrophobicContact CE1-CB 3.9Å
227D88.4Confident89.5Confident83 Ų8359.2 Ų59.244%0.44430%0.3SS..SBendtrans-63.5-33.3-174.3-62.9-18.2000112.6F214 T238F214-D227 WeakPolarHBondContact CD1-O 3.36Å; F214-D227 HydrophobicContact CE1-CB 4.36Å; D227-T238 PolarHBondContact OD1-OG1 3.14Å
228D88.7Confident89.1Confident74 Ų7456.1 Ų56.140%0.39629%0.29SS..SBendtrans-152.1176.3177.764.542.4000113.1Y226 E230 A231 L232Y226-D228 VanDerWaalsContact C-N 3.26Å; Y226-D228 PolarHBondContact O-N 2.77Å; D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.17Å; D228-E230 VanDerWaalsContact OD1-CA 3.32Å; D228-E230 WeakPolarHBondContact OD1-CA 3.46Å; D228-E230 WeakPolarHBondContact OD1-CB 3.34Å; D228-E230 PolarHBondContact OD1-N 3.48Å; D228-A231 PolarHBondContact O-N 3.39Å; D228-A231 WeakPolarHBondContact OD1-CB 3.38Å; D228-A231 PolarHBondContact OD1-N 3.27Å; D228-L232 PolarHBondContact O-N 2.93Å; D228-L232 VanDerWaalsContact O-N 3.11Å
229G85.6Confident88.6Confident33 Ų3359.2 Ų59.234%0.3431%0.307SS..Hα-helixtrans-69.3-16.6178.200000114.8K233G229-K233 VanDerWaalsContact O-CG 3.28Å; G229-K233 WeakPolarHBondContact O-CG 3.26Å; G229-K233 PolarHBondContact O-N 3.42Å
230E85.7Confident88.4Confident136 Ų13654.8 Ų54.864%0.63629%0.291SS*.Hα-helixtrans-80.5-42.7173.2-62-166.1162.900110.9D228 L232 K233 N234D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.17Å; D228-E230 VanDerWaalsContact OD1-CA 3.32Å; D228-E230 WeakPolarHBondContact OD1-CA 3.46Å; D228-E230 WeakPolarHBondContact OD1-CB 3.34Å; D228-E230 PolarHBondContact OD1-N 3.48Å; E230-L232 VanDerWaalsContact C-N 3.27Å; E230-L232 PolarHBondContact O-N 3.4Å; E230-K233 WeakPolarHBondContact O-CB 3.46Å; E230-K233 PolarHBondContact O-N 3.05Å; E230-N234 WeakPolarHBondContact O-CB 3.02Å; E230-N234 PolarHBondContact O-N 3.26Å; E230-N234 PolarHBondContact O-ND2 3.4Å
231A86Confident88.2Confident15 Ų1552.5 Ų52.512%0.12428%0.279CS..Hα-helixtrans-57.9-40.6171.900000111.2D228 N234 D235 Q236D228-A231 PolarHBondContact O-N 3.39Å; D228-A231 WeakPolarHBondContact OD1-CB 3.38Å; D228-A231 PolarHBondContact OD1-N 3.27Å; A231-N234 CarbonylContact O-C 3.56Å; A231-N234 PolarHBondContact O-N 3.48Å; A231-D235 PolarHBondContact O-N 3.01Å; A231-Q236 PolarHBondContact O-N 3.05Å
232L87.8Confident88Confident54 Ų5456.2 Ų56.228%0.28329%0.294SS..Hα-helixtrans-61.8-42.2172.5-177.167.8000112.5E215 K217 Y226 D228 E230 N234 D235E215-L232 HydrophobicContact CB-CB 4.4Å; E215-L232 HydrophobicContact CB-CD2 4.12Å; E215-L232 HydrophobicContact CG-CD2 4.39Å; K217-L232 HydrophobicContact CB-CD1 4.13Å; K217-L232 HydrophobicContact CD-CD1 4.06Å; Y226-L232 HydrophobicContact CD1-CB 4.3Å; Y226-L232 HydrophobicContact CD1-CD1 4.22Å; Y226-L232 HydrophobicContact CD2-CD1 3.68Å; Y226-L232 HydrophobicContact CE1-CD1 4.18Å; Y226-L232 HydrophobicContact CE2-CD1 3.67Å; Y226-L232 HydrophobicContact CG-CB 4.22Å; Y226-L232 HydrophobicContact CG-CD1 3.96Å; D228-L232 PolarHBondContact O-N 2.93Å; D228-L232 VanDerWaalsContact O-N 3.11Å; E230-L232 VanDerWaalsContact C-N 3.27Å; E230-L232 PolarHBondContact O-N 3.4Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-D235 PolarHBondContact O-N 3.12Å
233K87.1Confident87.6Confident174 Ų17456 Ų5676%0.75729%0.293SS*.Hα-helixtrans-67.3-36.3177.8-73.9169-171.8171.20112.1G229 E230 D235G229-K233 VanDerWaalsContact O-CG 3.28Å; G229-K233 WeakPolarHBondContact O-CG 3.26Å; G229-K233 PolarHBondContact O-N 3.42Å; E230-K233 WeakPolarHBondContact O-CB 3.46Å; E230-K233 PolarHBondContact O-N 3.05Å; K233-D235 VanDerWaalsContact C-N 3.28Å
234N85.6Confident87.2Confident109 Ų10956.9 Ų56.958%0.58330%0.298SS*.THydrogen-bonded Turntrans-84.4-0.6178.7-65.1-27.8000113.2E230 A231 L232 Q236E230-N234 WeakPolarHBondContact O-CB 3.02Å; E230-N234 PolarHBondContact O-N 3.26Å; E230-N234 PolarHBondContact O-ND2 3.4Å; A231-N234 CarbonylContact O-C 3.56Å; A231-N234 PolarHBondContact O-N 3.48Å; L232-N234 VanDerWaalsContact C-N 3.34Å; N234-Q236 VanDerWaalsContact C-N 3.3Å; N234-Q236 HydrophobicContact CB-CG 4.27Å; N234-Q236 PolarHBondContact O-N 3.46Å
235D84.6Confident86.9Confident60 Ų6057.5 Ų57.532%0.32130%0.3SS..THydrogen-bonded Turntrans51.643.5-175.4-163.341.3000113.6R219 Y226 A231 L232 K233 P237R219-D235 IonicContact CZ-OD2 2.92Å; R219-D235 VanDerWaalsContact CZ-OD2 3.31Å; R219-D235 IonicContact NH1-OD1 2.71Å; R219-D235 PolarHBondContact NH1-OD1 2.99Å; R219-D235 IonicContact NH1-OD2 3.76Å; R219-D235 PolarHBondContact NH1-OD2 3.17Å; R219-D235 IonicContact NH2-OD2 2.7Å; R219-D235 PolarHBondContact NH2-OD2 3.15Å; Y226-D235 PolarHBondContact OH-OD1 3.31Å; A231-D235 PolarHBondContact O-N 3.01Å; L232-D235 PolarHBondContact O-N 3.12Å; K233-D235 VanDerWaalsContact C-N 3.28Å; D235-P237 WeakPolarHBondContact O-CD 3.13Å
236Q86.8Confident86.6Confident130 Ų13060.9 Ų60.961%0.60732%0.316SS*.  trans-108.387.5177.4-69.3-176.3-16.600110.1Y226 A231 N234Y226-Q236 WeakPolarHBondContact CD1-O 3.28Å; A231-Q236 PolarHBondContact O-N 3.05Å; N234-Q236 VanDerWaalsContact C-N 3.3Å; N234-Q236 HydrophobicContact CB-CG 4.27Å; N234-Q236 PolarHBondContact O-N 3.46Å
237P86.8Confident86.4Confident57 Ų5761.1 Ų61.137%0.3732%0.317SS..  trans-73.5154.117831.8-35.7000111.6C224 V225 Y226 D235C224-P237 HydrophobicContact CB-CB 4.03Å; V225-P237 CarbonylContact O-C 3.52Å; V225-P237 WeakPolarHBondContact O-CA 3.46Å; Y226-P237 HydrophobicContact CD1-CB 4.22Å; Y226-P237 HydrophobicContact CE1-CB 3.9Å; D235-P237 WeakPolarHBondContact O-CD 3.13Å
238T84.2Confident86.6Confident41 Ų4157.1 Ų57.125%0.25230%0.296SS..  trans-60138.6169.5-40.70000109.6V225 D227 L240V225-T238 PolarHBondContact O-N 2.86Å; V225-T238 PolarHBondContact O-OG1 3.03Å; D227-T238 PolarHBondContact OD1-OG1 3.14Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 3.13Å
239D82.3Confident86.5Confident96 Ų9653.8 Ų53.851%0.51328%0.279SS..  trans-78.974.4-175.4-168.232.9000111.8
240L86.9Confident86.5Confident12 Ų1253.4 Ų53.46%0.06327%0.269CS..  trans-91.9137.5171.7-66.7175.1000110.4V225 T238 V562 N565 L566V225-L240 HydrophobicContact CB-CD1 4.12Å; V225-L240 HydrophobicContact CG2-CD1 3.72Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 3.13Å; L240-V562 HydrophobicContact CB-CG1 3.98Å; L240-V562 HydrophobicContact CD1-CG1 3.66Å; L240-V562 HydrophobicContact CG-CG1 4.49Å; L240-N565 HydrophobicContact CD2-CB 4.06Å; L240-L566 HydrophobicContact CD1-CB 4.26Å
241P87.3Confident86.8Confident11 Ų1147.7 Ų47.77%0.07124%0.242CC..  trans-73.5135.7-172.729.2-34.3000112Q8 L161 M561 N565Q8-P241 HydrophobicContact CB-CB 4.3Å; L161-P241 HydrophobicContact CD2-CB 4.38Å; P241-M561 HydrophobicContact CB-SD 4.49Å; P241-M561 WeakPolarHBondContact O-CG 3.43Å; P241-N565 HydrophobicContact CG-CB 4.46Å
242Y87.2Confident87Confident78 Ų7847.3 Ų47.331%0.30624%0.238SC..  trans-159.3149.3160.966.5-80.8000109.9F9 I222 D244 M561 V562F9-Y242 VanDerWaalsContact CD2-C 3.41Å; F9-Y242 WeakPolarHBondContact CD2-O 3.33Å; I222-Y242 HydrophobicContact CB-CE2 4.44Å; I222-Y242 HydrophobicContact CG1-CD2 4.25Å; I222-Y242 HydrophobicContact CG1-CE2 4.16Å; I222-Y242 HydrophobicContact CG2-CD1 4.35Å; I222-Y242 HydrophobicContact CG2-CD2 4.24Å; I222-Y242 HydrophobicContact CG2-CE1 4.36Å; I222-Y242 HydrophobicContact CG2-CE2 4.25Å; I222-Y242 HydrophobicContact CG2-CG 4.29Å; Y242-D244 PolarHBondContact O-N 3.03Å; Y242-M561 VanDerWaalsContact CA-SD 3.59Å; Y242-V562 HydrophobicContact CD1-CG2 3.79Å; Y242-V562 HydrophobicContact CG-CG2 4.06Å
243P86.6Confident87Confident0 Ų046 Ų460%023%0.234CC..  trans-70.5130.5172.827.8-31.4000109.4F9 Y158 F554 Y557F9-P243 HydrophobicContact CD1-CB 3.93Å; F9-P243 HydrophobicContact CD2-CB 4.34Å; F9-P243 HydrophobicContact CE1-CB 3.82Å; F9-P243 HydrophobicContact CE1-CG 4.46Å; F9-P243 HydrophobicContact CE2-CB 4.21Å; F9-P243 HydrophobicContact CE2-CG 4.41Å; F9-P243 HydrophobicContact CG-CB 4.19Å; F9-P243 HydrophobicContact CZ-CB 3.96Å; F9-P243 HydrophobicContact CZ-CG 4.17Å; Y158-P243 HydrophobicContact CE1-CB 4.25Å; Y158-P243 HydrophobicContact CE1-CG 3.84Å; P243-F554 HydrophobicContact CG-CE2 4.25Å; P243-Y557 HydrophobicContact CG-CE1 4.03Å
244D86.3Confident87Confident21 Ų2139.6 Ų39.611%0.11221%0.206CC..  trans-67.8161.4166.360.819.8000110.7R7 Y242 E246 T247 Y248R7-D244 IonicContact NH1-OD2 3.97Å; R7-D244 PolarHBondContact NH1-OD2 2.93Å; Y242-D244 PolarHBondContact O-N 3.03Å; D244-E246 PolarHBondContact O-N 3.27Å; D244-T247 PolarHBondContact O-N 3.47Å; D244-T247 WeakPolarHBondContact OD1-CB 3.39Å; D244-T247 PolarHBondContact OD1-N 3.42Å; D244-T247 PolarHBondContact OD1-OG1 3.1Å; D244-Y248 PolarHBondContact O-N 3.13Å
245L87.1Confident87.3Confident21 Ų2134.6 Ų34.611%0.1118%0.179CC..Hα-helixtrans-59.6-37.2-173.6175.962.8000111.3A249 F531 F554L245-A249 WeakPolarHBondContact O-CB 3.36Å; L245-A249 PolarHBondContact O-N 2.95Å; L245-F531 HydrophobicContact CD1-CE1 3.99Å; L245-F531 HydrophobicContact CD1-CE2 3.6Å; L245-F531 HydrophobicContact CD1-CZ 3.16Å; L245-F554 HydrophobicContact CB-CE1 4.3Å; L245-F554 HydrophobicContact CB-CZ 4.25Å; L245-F554 HydrophobicContact CD1-CD1 4.19Å; L245-F554 HydrophobicContact CD1-CE1 3.88Å; L245-F554 HydrophobicContact CD1-CZ 4.3Å
246E86.4Confident87.6Confident73 Ų7332.2 Ų32.234%0.34117%0.167SC..Hα-helixtrans-63.6-50.7178.4-63.583.2173.100111.3D244 Y248 A249 I250D244-E246 PolarHBondContact O-N 3.27Å; E246-Y248 PolarHBondContact O-N 3.36Å; E246-A249 PolarHBondContact O-N 2.92Å; E246-I250 VanDerWaalsContact O-CG1 3.31Å; E246-I250 WeakPolarHBondContact O-CG1 3.19Å; E246-I250 PolarHBondContact O-N 3.48Å
247T88.2Confident87.7Confident5 Ų526.7 Ų26.73%0.03114%0.144CC..Hα-helixtrans-60.4-47.3177.7-57.60000110.9F9 D244 A249 I250 D251F9-T247 HydrophobicContact CD1-CG2 4.09Å; D244-T247 PolarHBondContact O-N 3.47Å; D244-T247 WeakPolarHBondContact OD1-CB 3.39Å; D244-T247 PolarHBondContact OD1-N 3.42Å; D244-T247 PolarHBondContact OD1-OG1 3.1Å; T247-A249 VanDerWaalsContact C-N 3.35Å; T247-A249 PolarHBondContact O-N 2.96Å; T247-I250 PolarHBondContact O-N 3.35Å; T247-D251 VanDerWaalsContact O-CG 3.28Å; T247-D251 PolarHBondContact O-N 3.33Å
248Y90.9Very high87.9Confident0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-61-42.7177.8177.5-101.2000112.8Y158 D244 E246 I250 D251 L252 F531 F554 S592 L595 T596Y158-Y248 AromaticContact CE1-CD2 3.81Å; Y158-Y248 HydrophobicContact CE1-CD2 3.81Å; Y158-Y248 HydrophobicContact CE1-CE2 4.34Å; Y158-Y248 WeakPolarHBondContact OH-CA 3.48Å; D244-Y248 PolarHBondContact O-N 3.13Å; E246-Y248 PolarHBondContact O-N 3.36Å; Y248-I250 VanDerWaalsContact C-N 3.3Å; Y248-I250 PolarHBondContact O-N 3.37Å; Y248-D251 PolarHBondContact O-N 2.99Å; Y248-L252 HydrophobicContact CE1-CB 4.44Å; Y248-L252 HydrophobicContact CE1-CD2 3.99Å; Y248-L252 WeakPolarHBondContact O-CB 3.32Å; Y248-L252 PolarHBondContact O-N 3.2Å; Y248-F531 HydrophobicContact CD1-CD1 4.37Å; Y248-F531 AromaticContact CD1-CE1 3.69Å; Y248-F531 HydrophobicContact CD1-CE1 3.69Å; Y248-F531 AromaticContact CE1-CD1 3.88Å; Y248-F531 HydrophobicContact CE1-CD1 3.88Å; Y248-F531 AromaticContact CE1-CE1 3.49Å; Y248-F531 HydrophobicContact CE1-CE1 3.49Å; Y248-F531 VanDerWaalsContact CE1-CE1 3.49Å; Y248-F554 VanDerWaalsContact CB-CE2 3.45Å; Y248-F554 HydrophobicContact CD1-CB 4.14Å; Y248-F554 AromaticContact CD1-CD2 3.39Å; Y248-F554 HydrophobicContact CD1-CD2 3.39Å; Y248-F554 HydrophobicContact CD1-CE2 4Å; Y248-F554 AromaticContact CD1-CG 3.88Å; Y248-F554 HydrophobicContact CD1-CG 3.88Å; Y248-F554 AromaticContact CD2-CD2 3.78Å; Y248-F554 HydrophobicContact CD2-CD2 3.78Å; Y248-F554 HydrophobicContact CD2-CE2 4.27Å; Y248-F554 HydrophobicContact CE1-CB 3.84Å; Y248-F554 AromaticContact CE1-CD2 3.91Å; Y248-F554 HydrophobicContact CE1-CD2 3.91Å; Y248-F554 HydrophobicContact CE1-CG 4.12Å; Y248-F554 HydrophobicContact CE2-CD2 4.22Å; Y248-F554 AromaticContact CG-CD2 3.31Å; Y248-F554 HydrophobicContact CG-CD2 3.31Å; Y248-F554 AromaticContact CG-CE2 3.63Å; Y248-F554 HydrophobicContact CG-CE2 3.63Å; Y248-F554 HydrophobicContact CG-CG 4.25Å; Y248-S592 WeakPolarHBondContact OH-CB 3.45Å; Y248-S592 PolarHBondContact OH-OG 2.78Å; Y248-L595 HydrophobicContact CE2-CB 4.47Å; Y248-L595 HydrophobicContact CE2-CD1 4.06Å; Y248-T596 HydrophobicContact CE2-CG2 3.77Å
249A87.8Confident88.3Confident4 Ų423.1 Ų23.13%0.03312%0.119CC..Hα-helixtrans-64.6-36.1179.300000112.1L245 E246 T247 S253L245-A249 WeakPolarHBondContact O-CB 3.36Å; L245-A249 PolarHBondContact O-N 2.95Å; E246-A249 PolarHBondContact O-N 2.92Å; T247-A249 VanDerWaalsContact C-N 3.35Å; T247-A249 PolarHBondContact O-N 2.96Å; A249-S253 VanDerWaalsContact O-CB 3.24Å; A249-S253 WeakPolarHBondContact O-CB 3.47Å; A249-S253 PolarHBondContact O-N 3.04Å; A249-S253 PolarHBondContact O-OG 2.9Å
250I86.3Confident88.5Confident25 Ų2519.7 Ų19.713%0.12811%0.106CC..Hα-helixtrans-66.7-50.7175.1-68.2165.2000110.2V12 L14 E246 T247 Y248 L252 S253 E254V12-I250 HydrophobicContact CB-CD1 3.85Å; V12-I250 HydrophobicContact CG1-CD1 3.78Å; L14-I250 HydrophobicContact CD2-CD1 3.8Å; L14-I250 HydrophobicContact CD2-CG1 3.89Å; E246-I250 VanDerWaalsContact O-CG1 3.31Å; E246-I250 WeakPolarHBondContact O-CG1 3.19Å; E246-I250 PolarHBondContact O-N 3.48Å; T247-I250 PolarHBondContact O-N 3.35Å; Y248-I250 VanDerWaalsContact C-N 3.3Å; Y248-I250 PolarHBondContact O-N 3.37Å; I250-L252 VanDerWaalsContact C-N 3.32Å; I250-L252 PolarHBondContact O-N 2.53Å; I250-S253 WeakPolarHBondContact O-CB 3.4Å; I250-S253 PolarHBondContact O-N 2.9Å; I250-S253 VanDerWaalsContact O-N 3.16Å; I250-E254 PolarHBondContact O-N 3.45Å
251D90.9Very high88.7Confident16 Ų1622 Ų229%0.08612%0.119CC..Hα-helixtrans-59.6-43.3179.4-66.4-22.7000111.3L154 Y158 T247 Y248 E254 L255 L595L154-D251 HydrophobicContact CD1-CB 4.26Å; L154-D251 HydrophobicContact CD2-CB 4.34Å; L154-D251 WeakPolarHBondContact CD2-OD1 3.38Å; Y158-D251 VanDerWaalsContact CE2-OD2 3.23Å; Y158-D251 WeakPolarHBondContact CE2-OD2 3.45Å; Y158-D251 PolarHBondContact OH-OD2 3.17Å; T247-D251 VanDerWaalsContact O-CG 3.28Å; T247-D251 PolarHBondContact O-N 3.33Å; Y248-D251 PolarHBondContact O-N 2.99Å; D251-E254 PolarHBondContact O-N 2.94Å; D251-L255 PolarHBondContact O-N 3.36Å; D251-L595 HydrophobicContact CB-CD1 4.31Å
252L90.2Very high89Confident7 Ų723.3 Ų23.34%0.03714%0.135CC..Hα-helixtrans-63.1-44176.1-176.369.3000111.6Y248 I250 E254 L255 L256 V591 L595Y248-L252 HydrophobicContact CE1-CB 4.44Å; Y248-L252 HydrophobicContact CE1-CD2 3.99Å; Y248-L252 WeakPolarHBondContact O-CB 3.32Å; Y248-L252 PolarHBondContact O-N 3.2Å; I250-L252 VanDerWaalsContact C-N 3.32Å; I250-L252 PolarHBondContact O-N 2.53Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.24Å; L252-L255 PolarHBondContact O-N 3.27Å; L252-L256 HydrophobicContact CD2-CD1 4.5Å; L252-L256 HydrophobicContact CG-CD1 3.99Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.33Å; L252-L256 PolarHBondContact O-N 3.44Å; L252-V591 HydrophobicContact CD1-CB 4.11Å; L252-V591 HydrophobicContact CD1-CG1 3.71Å; L252-L595 HydrophobicContact CB-CD1 4.39Å; L252-L595 HydrophobicContact CD1-CD1 4.37Å
253S87.3Confident89.4Confident27 Ų2721.3 Ų21.319%0.18913%0.131CC..Hα-helixtrans-63.2-37.1179-650000111.8V25 A249 I250 L256 A257V25-S253 WeakPolarHBondContact CG2-O 3.24Å; A249-S253 VanDerWaalsContact O-CB 3.24Å; A249-S253 WeakPolarHBondContact O-CB 3.47Å; A249-S253 PolarHBondContact O-N 3.04Å; A249-S253 PolarHBondContact O-OG 2.9Å; I250-S253 WeakPolarHBondContact O-CB 3.4Å; I250-S253 PolarHBondContact O-N 2.9Å; I250-S253 VanDerWaalsContact O-N 3.16Å; S253-L256 PolarHBondContact O-N 3.27Å; S253-A257 WeakPolarHBondContact O-CB 3.47Å; S253-A257 PolarHBondContact O-N 3.12Å
254E88.6Confident89.8Confident39 Ų3921.3 Ų21.318%0.18213%0.131CC..Hα-helixtrans-64.1-45176.3-179.8152.3-135.300112.4K21 K150 I250 D251 L252 A257 M258K21-E254 IonicContact NZ-OE1 3.66Å; K150-E254 VanDerWaalsContact CD-OE1 3.3Å; K150-E254 WeakPolarHBondContact CD-OE1 3.4Å; K150-E254 VanDerWaalsContact CE-OE1 3.3Å; K150-E254 WeakPolarHBondContact CE-OE1 3.33Å; K150-E254 WeakPolarHBondContact CE-OE2 3.39Å; K150-E254 IonicContact NZ-OE1 2.78Å; K150-E254 PolarHBondContact NZ-OE1 3.25Å; K150-E254 IonicContact NZ-OE2 3.42Å; K150-E254 PolarHBondContact NZ-OE2 3.44Å; I250-E254 PolarHBondContact O-N 3.45Å; D251-E254 PolarHBondContact O-N 2.94Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.24Å; E254-A257 PolarHBondContact O-N 2.99Å; E254-M258 PolarHBondContact O-N 2.94Å
255L92Very high90.2Very high3 Ų324.6 Ų24.62%0.01614%0.144CC..Hα-helixtrans-64.5-41.5174.8-66.6-176.5000112.3A151 D251 L252 A257 M258 I259 V591 F594 L595A151-L255 HydrophobicContact CB-CD2 3.35Å; D251-L255 PolarHBondContact O-N 3.36Å; L252-L255 PolarHBondContact O-N 3.27Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.06Å; L255-M258 HydrophobicContact CD2-CE 3.6Å; L255-M258 PolarHBondContact O-N 3.15Å; L255-I259 WeakPolarHBondContact O-CD1 3.31Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.42Å; L255-I259 PolarHBondContact O-N 3.25Å; L255-V591 HydrophobicContact CB-CG1 3.48Å; L255-V591 VanDerWaalsContact CB-CG1 3.48Å; L255-V591 HydrophobicContact CD1-CG1 3.86Å; L255-V591 HydrophobicContact CG-CG1 4.36Å; L255-F594 HydrophobicContact CD1-CD1 3.7Å; L255-F594 HydrophobicContact CD1-CE1 4.17Å; L255-F594 HydrophobicContact CD2-CE1 4.41Å; L255-L595 HydrophobicContact CD1-CD1 3.77Å; L255-L595 HydrophobicContact CD1-CD2 3.59Å; L255-L595 HydrophobicContact CD1-CG 3.46Å; L255-L595 VanDerWaalsContact CD1-CG 3.46Å
256L90.3Very high90.7Very high10 Ų1026.5 Ų26.55%0.05216%0.157CC..Hα-helixtrans-61.3-41.5177.3-73.8168.2000111.7V25 L252 S253 I259 G260 T588 V591V25-L256 HydrophobicContact CG1-CB 3.98Å; V25-L256 HydrophobicContact CG1-CD1 3.6Å; V25-L256 HydrophobicContact CG1-CG 4.41Å; V25-L256 HydrophobicContact CG2-CB 3.94Å; L252-L256 HydrophobicContact CD2-CD1 4.5Å; L252-L256 HydrophobicContact CG-CD1 3.99Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.33Å; L252-L256 PolarHBondContact O-N 3.44Å; S253-L256 PolarHBondContact O-N 3.27Å; L256-I259 PolarHBondContact O-N 2.93Å; L256-G260 PolarHBondContact O-N 2.89Å; L256-G260 VanDerWaalsContact O-N 3.13Å; L256-T588 HydrophobicContact CD2-CG2 3.72Å; L256-V591 HydrophobicContact CD2-CB 4.34Å; L256-V591 HydrophobicContact CD2-CG1 4.39Å; L256-V591 HydrophobicContact CD2-CG2 3.85Å; L256-V591 HydrophobicContact CG-CG1 4.32Å
257A88.8Confident91.1Very high15 Ų1523 Ų2312%0.12414%0.141CC..Hα-helixtrans-62.3-45.7175.400000111.8L24 V25 S253 E254 L255 I259 G260 D261L24-A257 HydrophobicContact CD2-CB 4.07Å; V25-A257 HydrophobicContact CG2-CB 4.4Å; S253-A257 WeakPolarHBondContact O-CB 3.47Å; S253-A257 PolarHBondContact O-N 3.12Å; E254-A257 PolarHBondContact O-N 2.99Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.06Å; A257-I259 PolarHBondContact O-N 3.31Å; A257-G260 PolarHBondContact O-N 3.41Å; A257-G260 VanDerWaalsContact O-N 3.11Å; A257-D261 PolarHBondContact O-N 2.92Å
258M91.4Very high91.6Very high13 Ų1322.8 Ų22.86%0.06414%0.139CC..Hα-helixtrans-62.7-39.9177.2174-170.262.200112.3S147 L148 A151 E254 L255 G260 D261 T264 V611 L615S147-M258 VanDerWaalsContact C-SD 3.57Å; L148-M258 HydrophobicContact CD2-SD 4.29Å; A151-M258 HydrophobicContact CB-CE 3.73Å; A151-M258 HydrophobicContact CB-SD 4.06Å; E254-M258 PolarHBondContact O-N 2.94Å; L255-M258 HydrophobicContact CD2-CE 3.6Å; L255-M258 PolarHBondContact O-N 3.15Å; M258-G260 PolarHBondContact O-N 2.94Å; M258-D261 WeakPolarHBondContact O-CB 3.38Å; M258-D261 PolarHBondContact O-N 3.21Å; M258-D261 VanDerWaalsContact O-N 3.14Å; M258-T264 HydrophobicContact CG-CG2 4.08Å; M258-V611 HydrophobicContact CE-CG1 4.01Å; M258-V611 HydrophobicContact CG-CG1 4.21Å; M258-V611 HydrophobicContact SD-CG1 4.35Å; M258-L615 HydrophobicContact CE-CD1 3.56Å
259I91.3Very high91.8Very high10 Ų1027.1 Ų27.15%0.05116%0.159CC..Hα-helixtrans-65.9-27.9176.4-67.2159.5000111.1L255 L256 A257 D261 K265 V591 V611 L612L255-I259 WeakPolarHBondContact O-CD1 3.31Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.42Å; L255-I259 PolarHBondContact O-N 3.25Å; L256-I259 PolarHBondContact O-N 2.93Å; A257-I259 PolarHBondContact O-N 3.31Å; I259-D261 VanDerWaalsContact C-N 3.35Å; I259-K265 WeakPolarHBondContact O-CE 3.49Å; I259-V591 HydrophobicContact CD1-CB 4.32Å; I259-V591 HydrophobicContact CD1-CG1 4.11Å; I259-V591 HydrophobicContact CD1-CG2 3.27Å; I259-V611 HydrophobicContact CG1-CB 4.35Å; I259-V611 HydrophobicContact CG1-CG1 4.14Å; I259-L612 HydrophobicContact CD1-CD1 3.93Å; I259-L612 HydrophobicContact CD1-CD2 3.66Å; I259-L612 HydrophobicContact CD1-CG 3.66Å; I259-L612 HydrophobicContact CG1-CD2 4.34Å; I259-L612 HydrophobicContact CG1-CG 4.09Å
260G87.5Confident92.2Very high23 Ų2331.6 Ų31.624%0.23718%0.175CC..Hα-helixtrans-74.7-21174.200000114.5L256 A257 M258 K265L256-G260 PolarHBondContact O-N 2.89Å; L256-G260 VanDerWaalsContact O-N 3.13Å; A257-G260 PolarHBondContact O-N 3.41Å; A257-G260 VanDerWaalsContact O-N 3.11Å; M258-G260 PolarHBondContact O-N 2.94Å; G260-K265 PolarHBondContact O-NZ 2.81Å
261D91.5Very high92.7Very high61 Ų6131.2 Ų31.233%0.32617%0.172SC..  trans-70126.3-171-178.259.1000113.6A257 M258 I259 T264 K265A257-D261 PolarHBondContact O-N 2.92Å; M258-D261 WeakPolarHBondContact O-CB 3.38Å; M258-D261 PolarHBondContact O-N 3.21Å; M258-D261 VanDerWaalsContact O-N 3.14Å; I259-D261 VanDerWaalsContact C-N 3.35Å; D261-T264 WeakPolarHBondContact OD2-CB 3.03Å; D261-T264 PolarHBondContact OD2-N 2.89Å; D261-T264 PolarHBondContact OD2-OG1 2.92Å; D261-K265 WeakPolarHBondContact O-CB 3.26Å; D261-K265 WeakPolarHBondContact O-CG 3.35Å; D261-K265 PolarHBondContact O-N 2.98Å
262G93.3Very high93Very high39 Ų3930.4 Ų30.440%0.40217%0.168SC..Hα-helixtrans-66.3-51.7-173.100000114.1K265 T266G262-K265 WeakPolarHBondContact O-CB 3.25Å; G262-K265 PolarHBondContact O-N 3.16Å; G262-T266 PolarHBondContact O-N 2.58Å; G262-T266 PolarHBondContact O-OG1 3.19Å
263P94.8Very high93.2Very high36 Ų3633.1 Ų33.123%0.23418%0.183CC..Hα-helixtrans-60.8-44.5175.7-24.233.7000113D140 K265 T266 Y267D140-P263 HydrophobicContact CB-CB 3.79Å; D140-P263 HydrophobicContact CB-CG 4.38Å; P263-K265 PolarHBondContact O-N 3.06Å; P263-T266 PolarHBondContact O-N 3.19Å; P263-T266 VanDerWaalsContact O-N 3.12Å; P263-Y267 WeakPolarHBondContact O-CB 3.44Å; P263-Y267 PolarHBondContact O-N 3.48Å
264T95.4Very high93.6Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-60.6-42.2177.2-57.40000112A144 M258 D261 T266 Y267 C268 V611A144-T264 WeakPolarHBondContact CA-OG1 3.45Å; A144-T264 HydrophobicContact CB-CG2 4.25Å; A144-T264 WeakPolarHBondContact CB-OG1 3.37Å; M258-T264 HydrophobicContact CG-CG2 4.08Å; D261-T264 WeakPolarHBondContact OD2-CB 3.03Å; D261-T264 PolarHBondContact OD2-N 2.89Å; D261-T264 PolarHBondContact OD2-OG1 2.92Å; T264-T266 PolarHBondContact O-N 2.81Å; T264-Y267 PolarHBondContact O-N 3.22Å; T264-C268 WeakPolarHBondContact O-CB 3.35Å; T264-C268 PolarHBondContact O-N 3.31Å; T264-C268 PolarHBondContact O-SG 3.17Å; T264-V611 HydrophobicContact CG2-CG1 4.2Å; T264-V611 HydrophobicContact CG2-CG2 4.01Å
265K95.3Very high93.9Very high89 Ų8932.7 Ų32.739%0.38718%0.177SC..Hα-helixtrans-57.1-48.2172.2-77.2173-172.8-179.70112I259 G260 D261 G262 P263 C268 H269 V611I259-K265 WeakPolarHBondContact O-CE 3.49Å; G260-K265 PolarHBondContact O-NZ 2.81Å; D261-K265 WeakPolarHBondContact O-CB 3.26Å; D261-K265 WeakPolarHBondContact O-CG 3.35Å; D261-K265 PolarHBondContact O-N 2.98Å; G262-K265 WeakPolarHBondContact O-CB 3.25Å; G262-K265 PolarHBondContact O-N 3.16Å; P263-K265 PolarHBondContact O-N 3.06Å; K265-C268 PolarHBondContact O-N 2.89Å; K265-H269 VanDerWaalsContact O-CB 3.25Å; K265-H269 WeakPolarHBondContact O-CB 3.34Å; K265-H269 PolarHBondContact O-N 3.28Å; K265-V611 HydrophobicContact CB-CG2 4.4Å; K265-V611 HydrophobicContact CG-CG2 3.9Å
266T95.8Very high94.1Very high61 Ų6134.3 Ų34.337%0.37419%0.189SC..Hα-helixtrans-63.4-45.2-177.4-57.60000111I136 G262 P263 T264 R270I136-T266 HydrophobicContact CG2-CG2 3.87Å; G262-T266 PolarHBondContact O-N 2.58Å; G262-T266 PolarHBondContact O-OG1 3.19Å; P263-T266 PolarHBondContact O-N 3.19Å; P263-T266 VanDerWaalsContact O-N 3.12Å; T264-T266 PolarHBondContact O-N 2.81Å; T266-R270 PolarHBondContact O-N 3.18Å
267Y96.2Very high94.4Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-57.8-57175.5178.4-105.1000111.3Y132 A134 I136 Y141 V145 L148 P263 T264 H269 R270 R271 Y614Y132-Y267 WeakPolarHBondContact O-CE2 3.48Å; A134-Y267 HydrophobicContact CB-CD2 3.8Å; A134-Y267 HydrophobicContact CB-CE2 3.98Å; I136-Y267 HydrophobicContact CD1-CD2 4.13Å; I136-Y267 HydrophobicContact CD1-CG 4.22Å; I136-Y267 HydrophobicContact CG1-CD2 4.31Å; Y141-Y267 HydrophobicContact CD2-CD2 4.04Å; Y141-Y267 AromaticContact CD2-CE2 3.51Å; Y141-Y267 HydrophobicContact CD2-CE2 3.51Å; Y141-Y267 AromaticContact CE2-CE2 3.63Å; Y141-Y267 HydrophobicContact CE2-CE2 3.63Å; Y141-Y267 AromaticContact CE2-CZ 3.76Å; V145-Y267 HydrophobicContact CG2-CE1 4.3Å; L148-Y267 HydrophobicContact CD1-CD1 4.14Å; L148-Y267 HydrophobicContact CD1-CE1 3.99Å; P263-Y267 WeakPolarHBondContact O-CB 3.44Å; P263-Y267 PolarHBondContact O-N 3.48Å; T264-Y267 PolarHBondContact O-N 3.22Å; Y267-H269 VanDerWaalsContact C-N 3.32Å; Y267-H269 PolarHBondContact O-N 3.46Å; Y267-R270 PolarHBondContact O-N 3.18Å; Y267-R270 VanDerWaalsContact O-N 3.14Å; Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CD2-CG 4.37Å; Y267-R271 HydrophobicContact CE1-CG 3.77Å; Y267-R271 HydrophobicContact CE2-CG 3.95Å; Y267-R271 HydrophobicContact CG-CG 4.45Å; Y267-R271 WeakPolarHBondContact O-CG 3.37Å; Y267-R271 PolarHBondContact O-N 2.95Å; Y267-Y614 HydrophobicContact CE1-CE1 4.2Å
268C97.2Very high94.7Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-59.7-42.3-178.1-63.80000111.7T264 K265 R270 R271 L272 P610 V611 Y614T264-C268 WeakPolarHBondContact O-CB 3.35Å; T264-C268 PolarHBondContact O-N 3.31Å; T264-C268 PolarHBondContact O-SG 3.17Å; K265-C268 PolarHBondContact O-N 2.89Å; C268-R270 VanDerWaalsContact C-N 3.35Å; C268-R270 PolarHBondContact O-N 2.78Å; C268-R271 PolarHBondContact O-N 2.61Å; C268-L272 WeakPolarHBondContact O-CB 3.33Å; C268-L272 WeakPolarHBondContact O-CD1 3.42Å; C268-L272 VanDerWaalsContact O-CG 3.25Å; C268-L272 WeakPolarHBondContact O-CG 3.2Å; C268-L272 PolarHBondContact O-N 2.78Å; C268-P610 HydrophobicContact CB-CB 4.2Å; C268-P610 WeakPolarHBondContact CB-O 3.39Å; C268-V611 HydrophobicContact CB-CG2 4.4Å; C268-Y614 HydrophobicContact CB-CD1 4.17Å; C268-Y614 HydrophobicContact CB-CG 4.29Å
269H96.8Very high95Very high91 Ų9137.3 Ų37.342%0.42121%0.208SC..Hα-helixtrans-58.6-45.6176.9-17872.7000112K265 Y267 L272 N273 P610K265-H269 VanDerWaalsContact O-CB 3.25Å; K265-H269 WeakPolarHBondContact O-CB 3.34Å; K265-H269 PolarHBondContact O-N 3.28Å; Y267-H269 VanDerWaalsContact C-N 3.32Å; Y267-H269 PolarHBondContact O-N 3.46Å; H269-L272 PolarHBondContact O-N 2.96Å; H269-N273 PolarHBondContact CD2-ND2 3.19Å; H269-N273 PolarHBondContact NE2-ND2 3.39Å; H269-N273 VanDerWaalsContact O-CG 3.24Å; H269-N273 PolarHBondContact O-N 3.12Å; H269-N273 PolarHBondContact O-ND2 3.33Å; H269-P610 HydrophobicContact CB-CB 3.81Å; H269-P610 HydrophobicContact CB-CG 3.97Å
270R95.6Very high95.3Very high98 Ų9841.9 Ų41.937%0.3723%0.229SC..Hα-helixtrans-67.7-41.6177.3-76.1178.8169169.50.4112.5A134 G135 T266 Y267 C268 L272 N273 F274A134-R270 HydrophobicContact CB-CB 3.9Å; A134-R270 WeakPolarHBondContact O-CD 3.34Å; A134-R270 PolarHBondContact O-NH1 2.82Å; G135-R270 PolarHBondContact O-NH1 3.39Å; T266-R270 PolarHBondContact O-N 3.18Å; Y267-R270 PolarHBondContact O-N 3.18Å; Y267-R270 VanDerWaalsContact O-N 3.14Å; C268-R270 VanDerWaalsContact C-N 3.35Å; C268-R270 PolarHBondContact O-N 2.78Å; R270-L272 VanDerWaalsContact C-N 3.33Å; R270-L272 PolarHBondContact O-N 3.21Å; R270-N273 PolarHBondContact O-N 2.97Å; R270-F274 HydrophobicContact CB-CE2 4.31Å; R270-F274 WeakPolarHBondContact O-CD2 3.47Å; R270-F274 WeakPolarHBondContact O-CG 3.24Å; R270-F274 PolarHBondContact O-N 3.04Å
271R95.9Very high95.7Very high17 Ų1744 Ų446%0.06423%0.234CC..Hα-helixtrans-56.4-46.4172.9-63.4-44.9-57.4177.55.3111.7Y267 C268 N273 F274 L275 Y614 E743Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CD2-CG 4.37Å; Y267-R271 HydrophobicContact CE1-CG 3.77Å; Y267-R271 HydrophobicContact CE2-CG 3.95Å; Y267-R271 HydrophobicContact CG-CG 4.45Å; Y267-R271 WeakPolarHBondContact O-CG 3.37Å; Y267-R271 PolarHBondContact O-N 2.95Å; C268-R271 PolarHBondContact O-N 2.61Å; R271-N273 VanDerWaalsContact C-N 3.35Å; R271-N273 PolarHBondContact O-N 3.28Å; R271-F274 WeakPolarHBondContact O-CB 3.43Å; R271-F274 PolarHBondContact O-N 3.01Å; R271-F274 VanDerWaalsContact O-N 3.17Å; R271-L275 WeakPolarHBondContact O-CG 3.36Å; R271-L275 PolarHBondContact O-N 2.88Å; R271-Y614 HydrophobicContact CB-CD2 4.2Å; R271-Y614 HydrophobicContact CB-CE1 4.32Å; R271-Y614 HydrophobicContact CB-CE2 3.7Å; R271-Y614 HydrophobicContact CG-CE1 4.25Å; R271-Y614 HydrophobicContact CG-CE2 4.38Å; R271-E743 IonicContact CZ-OE1 3.4Å; R271-E743 IonicContact CZ-OE2 3.39Å; R271-E743 IonicContact NE-OE1 2.72Å; R271-E743 IonicContact NE-OE2 3.39Å; R271-E743 PolarHBondContact NE-OE2 3.45Å; R271-E743 IonicContact NH2-OE1 3.31Å; R271-E743 PolarHBondContact NH2-OE1 3.23Å; R271-E743 IonicContact NH2-OE2 3.84Å; R271-E743 PolarHBondContact NH2-OE2 2.87Å
272L97.3Very high96Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-63.4-37.4177.3-72.3161000113.1C268 H269 R270 L275 S276 P610 Q613 Y614 K648C268-L272 WeakPolarHBondContact O-CB 3.33Å; C268-L272 WeakPolarHBondContact O-CD1 3.42Å; C268-L272 VanDerWaalsContact O-CG 3.25Å; C268-L272 WeakPolarHBondContact O-CG 3.2Å; C268-L272 PolarHBondContact O-N 2.78Å; H269-L272 PolarHBondContact O-N 2.96Å; R270-L272 VanDerWaalsContact C-N 3.33Å; R270-L272 PolarHBondContact O-N 3.21Å; L272-L275 HydrophobicContact CD2-CD1 4.41Å; L272-L275 PolarHBondContact O-N 3.14Å; L272-S276 PolarHBondContact O-N 3.32Å; L272-S276 VanDerWaalsContact O-N 3.11Å; L272-P610 HydrophobicContact CD1-CB 4.04Å; L272-P610 WeakPolarHBondContact CD1-O 2.96Å; L272-Q613 HydrophobicContact CD1-CB 4Å; L272-Q613 HydrophobicContact CD1-CG 4.15Å; L272-Q613 VanDerWaalsContact CD1-OE1 3.23Å; L272-Q613 HydrophobicContact CD2-CG 3.93Å; L272-Y614 HydrophobicContact CD2-CD2 4.13Å; L272-Y614 HydrophobicContact CG-CD2 4.12Å; L272-Y614 HydrophobicContact CG-CG 4.48Å; L272-K648 HydrophobicContact CB-CD 4.37Å; L272-K648 HydrophobicContact CD2-CD 4.07Å
273N95.6Very high96.1Very high64 Ų6441 Ų4134%0.34221%0.208SC..Hα-helixtrans-67.8-37.7174.2-68.2-16.8000111.5H269 R270 R271 S276 S277H269-N273 PolarHBondContact CD2-ND2 3.19Å; H269-N273 PolarHBondContact NE2-ND2 3.39Å; H269-N273 VanDerWaalsContact O-CG 3.24Å; H269-N273 PolarHBondContact O-N 3.12Å; H269-N273 PolarHBondContact O-ND2 3.33Å; R270-N273 PolarHBondContact O-N 2.97Å; R271-N273 VanDerWaalsContact C-N 3.35Å; R271-N273 PolarHBondContact O-N 3.28Å; N273-S276 PolarHBondContact O-N 3.24Å; N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 3.46Å; N273-S277 PolarHBondContact O-OG 3.31Å
274F94.2Very high96.2Very high55 Ų5544.4 Ų44.424%0.24122%0.223CC..Hα-helixtrans-62.5-45.1172.7-67.2-46.5000111.6A134 R270 R271 S276 S277 K278A134-F274 HydrophobicContact CB-CE2 3.94Å; R270-F274 HydrophobicContact CB-CE2 4.31Å; R270-F274 WeakPolarHBondContact O-CD2 3.47Å; R270-F274 WeakPolarHBondContact O-CG 3.24Å; R270-F274 PolarHBondContact O-N 3.04Å; R271-F274 WeakPolarHBondContact O-CB 3.43Å; R271-F274 PolarHBondContact O-N 3.01Å; R271-F274 VanDerWaalsContact O-N 3.17Å; F274-S276 PolarHBondContact O-N 3.38Å; F274-S277 PolarHBondContact O-N 3.48Å; F274-K278 WeakPolarHBondContact O-CB 3.38Å; F274-K278 PolarHBondContact O-N 3.24Å
275L96.1Very high96.3Very high2 Ų247 Ų471%0.0124%0.236CC..Hα-helixtrans-57.2-47.8176.8-70.9172.4000112R271 L272 K278 F279 Y614 Y617 T739 E743R271-L275 WeakPolarHBondContact O-CG 3.36Å; R271-L275 PolarHBondContact O-N 2.88Å; L272-L275 HydrophobicContact CD2-CD1 4.41Å; L272-L275 PolarHBondContact O-N 3.14Å; L275-K278 PolarHBondContact O-N 3.19Å; L275-F279 PolarHBondContact O-N 3.4Å; L275-Y614 HydrophobicContact CD1-CD2 4.4Å; L275-Y614 HydrophobicContact CD1-CE2 4.18Å; L275-Y617 HydrophobicContact CD1-CD1 3.8Å; L275-Y617 HydrophobicContact CD1-CD2 4.08Å; L275-Y617 HydrophobicContact CD1-CE1 3.66Å; L275-Y617 HydrophobicContact CD1-CE2 3.92Å; L275-Y617 HydrophobicContact CD1-CG 4.01Å; L275-Y617 HydrophobicContact CD2-CE1 4.28Å; L275-Y617 HydrophobicContact CD2-CE2 4.26Å; L275-Y617 WeakPolarHBondContact CD2-OH 3.32Å; L275-T739 HydrophobicContact CD2-CG2 3.39Å; L275-E743 HydrophobicContact CD2-CG 3.86Å
276S96.1Very high96.4Very high37 Ų3742.9 Ų42.926%0.25922%0.219SC..Hα-helixtrans-60.6-48.9177.1-174.40000112L272 N273 F274 K278 F279 H280L272-S276 PolarHBondContact O-N 3.32Å; L272-S276 VanDerWaalsContact O-N 3.11Å; N273-S276 PolarHBondContact O-N 3.24Å; F274-S276 PolarHBondContact O-N 3.38Å; S276-K278 VanDerWaalsContact C-N 3.35Å; S276-K278 PolarHBondContact O-N 3.1Å; S276-F279 PolarHBondContact O-N 3.43Å; S276-H280 PolarHBondContact O-N 3.47Å
277S95.7Very high96.4Very high77 Ų7745.1 Ų45.154%0.53823%0.225SC..Hα-helixtrans-65.8-38.6-178.8-55.70000112.1N273 F274 H280 L281N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 3.46Å; N273-S277 PolarHBondContact O-OG 3.31Å; F274-S277 PolarHBondContact O-N 3.48Å; S277-H280 PolarHBondContact O-N 2.64Å; S277-L281 PolarHBondContact O-N 3.49Å
278K95.9Very high96.4Very high23 Ų2350.4 Ų50.410%0.126%0.257CS..Hα-helixtrans-65.7-40.8177.5-169.1-170.9-179.7-165.10111.1V126 F274 L275 S276 L281 H282 Y735 T739V126-K278 HydrophobicContact CB-CG 4.41Å; V126-K278 HydrophobicContact CG1-CG 4.47Å; V126-K278 VanDerWaalsContact O-CE 3.25Å; V126-K278 WeakPolarHBondContact O-CE 3.38Å; F274-K278 WeakPolarHBondContact O-CB 3.38Å; F274-K278 PolarHBondContact O-N 3.24Å; L275-K278 PolarHBondContact O-N 3.19Å; S276-K278 VanDerWaalsContact C-N 3.35Å; S276-K278 PolarHBondContact O-N 3.1Å; K278-L281 PolarHBondContact O-N 2.76Å; K278-H282 WeakPolarHBondContact O-CB 3.31Å; K278-H282 PolarHBondContact O-N 3.36Å; K278-Y735 HydrophobicContact CD-CE2 4.22Å; K278-Y735 HydrophobicContact CG-CE2 4.1Å; K278-Y735 WeakPolarHBondContact CG-OH 3.27Å; K278-T739 HydrophobicContact CD-CG2 4.09Å; K278-T739 PolarHBondContact NZ-OG1 2.98Å
279F97.5Very high96.4Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-67.8-40.7176.7-177.6-110.2000111.3L275 S276 L281 H282 E283 H647 Y735L275-F279 PolarHBondContact O-N 3.4Å; S276-F279 PolarHBondContact O-N 3.43Å; F279-L281 VanDerWaalsContact C-N 3.3Å; F279-L281 PolarHBondContact O-N 3.16Å; F279-H282 CarbonylContact O-C 3.52Å; F279-H282 WeakPolarHBondContact O-CA 3.41Å; F279-H282 WeakPolarHBondContact O-CB 3.21Å; F279-H282 PolarHBondContact O-N 2.63Å; F279-H282 VanDerWaalsContact O-N 3.08Å; F279-E283 HydrophobicContact CD1-CG 4.18Å; F279-E283 VanDerWaalsContact CE1-CD 3.42Å; F279-E283 HydrophobicContact CE1-CG 3.78Å; F279-E283 WeakPolarHBondContact CE1-OE1 3.32Å; F279-E283 HydrophobicContact CE2-CG 4.33Å; F279-E283 HydrophobicContact CZ-CG 3.87Å; F279-E283 WeakPolarHBondContact O-CG 3.37Å; F279-E283 PolarHBondContact O-N 2.82Å; F279-H647 VanDerWaalsContact CB-O 3.24Å; F279-H647 WeakPolarHBondContact CB-O 3.42Å; F279-H647 HydrophobicContact CD1-CB 3.75Å; F279-H647 AromaticContact CD1-CG 3.62Å; F279-H647 AromaticContact CD1-ND1 3.65Å; F279-H647 HydrophobicContact CE1-CB 4.28Å; F279-H647 AromaticContact CE1-CD2 3.89Å; F279-H647 AromaticContact CE1-CE1 3.99Å; F279-H647 AromaticContact CE1-CG 3.79Å; F279-H647 AromaticContact CE1-ND1 3.88Å; F279-H647 WeakPolarHBondContact CG-O 3.08Å; F279-Y735 WeakPolarHBondContact CA-OH 3.36Å; F279-Y735 HydrophobicContact CB-CE1 4.23Å; F279-Y735 HydrophobicContact CD2-CD1 4.07Å; F279-Y735 AromaticContact CD2-CE1 3.52Å; F279-Y735 HydrophobicContact CD2-CE1 3.52Å; F279-Y735 HydrophobicContact CE2-CE1 4.4Å; F279-Y735 HydrophobicContact CG-CE1 4.34Å; F279-Y735 PolarHBondContact N-OH 3.2Å
280H96.8Very high96.4Very high107 Ų10747.9 Ų47.950%0.49525%0.252SS..Hα-helixtrans-57.8-43.4174.5-177.153.4000112.4S276 S277 E283 I284S276-H280 PolarHBondContact O-N 3.47Å; S277-H280 PolarHBondContact O-N 2.64Å; H280-E283 PolarHBondContact O-N 2.92Å; H280-I284 WeakPolarHBondContact O-CG1 3.23Å; H280-I284 PolarHBondContact O-N 2.93Å; H280-I284 VanDerWaalsContact O-N 3.14Å
281L97Very high96.4Very high68 Ų6846.5 Ų46.536%0.35625%0.251SS..Hα-helixtrans-68-37.1175.2-174.157.3000111.9V126 S277 K278 F279 I284 L285V126-L281 HydrophobicContact CB-CD2 4.25Å; V126-L281 HydrophobicContact CG1-CD2 3.72Å; V126-L281 HydrophobicContact CG2-CB 4.25Å; V126-L281 HydrophobicContact CG2-CD2 3.47Å; V126-L281 VanDerWaalsContact CG2-CD2 3.47Å; V126-L281 HydrophobicContact CG2-CG 3.64Å; S277-L281 PolarHBondContact O-N 3.49Å; K278-L281 PolarHBondContact O-N 2.76Å; F279-L281 VanDerWaalsContact C-N 3.3Å; F279-L281 PolarHBondContact O-N 3.16Å; L281-I284 PolarHBondContact O-N 3.33Å; L281-L285 HydrophobicContact CD1-CD1 4.1Å; L281-L285 HydrophobicContact CD1-CG 4.13Å; L281-L285 HydrophobicContact CG-CD1 3.91Å; L281-L285 HydrophobicContact CG-CG 4.36Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.13Å
282H97.3Very high96.4Very high2 Ų253.2 Ų53.21%0.00928%0.281CS..Hα-helixtrans-58.8-45172.6172.783.2000112K278 F279 I284 L285 N286 E290 Y735K278-H282 WeakPolarHBondContact O-CB 3.31Å; K278-H282 PolarHBondContact O-N 3.36Å; F279-H282 CarbonylContact O-C 3.52Å; F279-H282 WeakPolarHBondContact O-CA 3.41Å; F279-H282 WeakPolarHBondContact O-CB 3.21Å; F279-H282 PolarHBondContact O-N 2.63Å; F279-H282 VanDerWaalsContact O-N 3.08Å; H282-I284 PolarHBondContact O-N 2.96Å; H282-L285 PolarHBondContact O-N 3.48Å; H282-N286 PolarHBondContact CE1-ND2 2.92Å; H282-N286 PolarHBondContact ND1-ND2 2.86Å; H282-N286 VanDerWaalsContact O-CB 3.29Å; H282-N286 WeakPolarHBondContact O-CB 3.24Å; H282-N286 PolarHBondContact O-N 3.39Å; H282-N286 PolarHBondContact O-ND2 3.43Å; H282-E290 IonicContact CD2-OE1 3.15Å; H282-E290 IonicContact CE1-OE1 2.77Å; H282-E290 IonicContact NE2-OE1 3.84Å; H282-E290 PolarHBondContact NE2-OE1 3.01Å; H282-Y735 HydrophobicContact CB-CD2 3.83Å; H282-Y735 HydrophobicContact CB-CE2 3.63Å; H282-Y735 HydrophobicContact CB-CG 4.39Å; H282-Y735 AromaticContact CE1-CD2 3.98Å; H282-Y735 AromaticContact CE1-CG 3.76Å; H282-Y735 AromaticContact CG-CD2 3.55Å; H282-Y735 AromaticContact CG-CE2 3.88Å; H282-Y735 AromaticContact CG-CG 3.74Å; H282-Y735 AromaticContact ND1-CD2 3.31Å; H282-Y735 VanDerWaalsContact ND1-CD2 3.31Å; H282-Y735 WeakPolarHBondContact ND1-CD2 3.29Å; H282-Y735 AromaticContact ND1-CG 3.56Å
283E96.5Very high96.3Very high34 Ų3455.2 Ų55.216%0.15929%0.29CS..Hα-helixtrans-57.3-50.5175.1-70179.5118.200110.7F279 H280 L285 N286 E287 H647F279-E283 HydrophobicContact CD1-CG 4.18Å; F279-E283 VanDerWaalsContact CE1-CD 3.42Å; F279-E283 HydrophobicContact CE1-CG 3.78Å; F279-E283 WeakPolarHBondContact CE1-OE1 3.32Å; F279-E283 HydrophobicContact CE2-CG 4.33Å; F279-E283 HydrophobicContact CZ-CG 3.87Å; F279-E283 WeakPolarHBondContact O-CG 3.37Å; F279-E283 PolarHBondContact O-N 2.82Å; H280-E283 PolarHBondContact O-N 2.92Å; E283-L285 VanDerWaalsContact C-N 3.26Å; E283-L285 PolarHBondContact O-N 2.85Å; E283-N286 PolarHBondContact O-N 3.41Å; E283-E287 WeakPolarHBondContact O-CB 3.4Å; E283-E287 PolarHBondContact O-N 2.91Å; E283-H647 IonicContact OE1-CE1 3.91Å; E283-H647 IonicContact OE2-CE1 3.58Å; E283-H647 PolarHBondContact OE2-CE1 3.22Å; E283-H647 IonicContact OE2-ND1 2.67Å
284I96.6Very high96.3Very high108 Ų10852.7 Ų52.755%0.55428%0.276SS*.Hα-helixtrans-56.5-40.1179.5-68.3166.9000112H280 L281 H282H280-I284 WeakPolarHBondContact O-CG1 3.23Å; H280-I284 PolarHBondContact O-N 2.93Å; H280-I284 VanDerWaalsContact O-N 3.14Å; L281-I284 PolarHBondContact O-N 3.33Å; H282-I284 PolarHBondContact O-N 2.96Å
285L97.1Very high96.3Very high54 Ų5457.7 Ų57.728%0.28330%0.298SS..Hα-helixtrans-85-32.6-174.9-62.2173.7000113.2Q124 V126 L281 H282 E283Q124-L285 HydrophobicContact CB-CB 4.08Å; Q124-L285 HydrophobicContact CB-CD1 4.33Å; V126-L285 HydrophobicContact CG2-CD1 3.76Å; L281-L285 HydrophobicContact CD1-CD1 4.1Å; L281-L285 HydrophobicContact CD1-CG 4.13Å; L281-L285 HydrophobicContact CG-CD1 3.91Å; L281-L285 HydrophobicContact CG-CG 4.36Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.13Å; H282-L285 PolarHBondContact O-N 3.48Å; E283-L285 VanDerWaalsContact C-N 3.26Å; E283-L285 PolarHBondContact O-N 2.85Å
286N97.7Very high96.1Very high3 Ų361.5 Ų61.52%0.01633%0.325CS..Hα-helixtrans-124.1-8.1-163.3-59.1-58.6000115.1Q124 H282 E283 T288 A289 E290 I731Q124-N286 WeakPolarHBondContact CB-OD1 3.36Å; Q124-N286 PolarHBondContact N-OD1 3.23Å; Q124-N286 PolarHBondContact O-ND2 3.02Å; H282-N286 PolarHBondContact CE1-ND2 2.92Å; H282-N286 PolarHBondContact ND1-ND2 2.86Å; H282-N286 VanDerWaalsContact O-CB 3.29Å; H282-N286 WeakPolarHBondContact O-CB 3.24Å; H282-N286 PolarHBondContact O-N 3.39Å; H282-N286 PolarHBondContact O-ND2 3.43Å; E283-N286 PolarHBondContact O-N 3.41Å; N286-T288 VanDerWaalsContact C-N 3.28Å; N286-T288 PolarHBondContact O-N 3.3Å; N286-A289 WeakPolarHBondContact O-CA 3.27Å; N286-A289 WeakPolarHBondContact O-CB 3.4Å; N286-A289 PolarHBondContact O-N 3.44Å; N286-E290 PolarHBondContact O-N 3.28Å; N286-I731 HydrophobicContact CB-CG2 4.22Å
287E95.4Very high96Very high108 Ų10861 Ų6151%0.50532%0.319SS..Hα-helixtrans-54.3-42.6-177.5178.1-174.3-151.400112.5E283 A289 E290 L291E283-E287 WeakPolarHBondContact O-CB 3.4Å; E283-E287 PolarHBondContact O-N 2.91Å; E287-A289 VanDerWaalsContact C-N 3.32Å; E287-A289 PolarHBondContact O-N 2.78Å; E287-E290 PolarHBondContact O-N 3.01Å; E287-L291 WeakPolarHBondContact O-CB 3.49Å; E287-L291 PolarHBondContact O-N 3.49Å
288T96.3Very high95.6Very high111 Ų11162.1 Ų62.168%0.68133%0.325SS*.Hα-helixtrans-66.7-3317838.10000112.9N286 K292N286-T288 VanDerWaalsContact C-N 3.28Å; N286-T288 PolarHBondContact O-N 3.3Å; T288-K292 WeakPolarHBondContact O-CB 3.39Å; T288-K292 PolarHBondContact O-N 3.42Å
289A97Very high95.2Very high35 Ų3568.8 Ų68.829%0.28936%0.356SS..Hα-helixtrans-72.6-44.5175.300000111.2N286 E287 L291 K292 E293 I731N286-A289 WeakPolarHBondContact O-CA 3.27Å; N286-A289 WeakPolarHBondContact O-CB 3.4Å; N286-A289 PolarHBondContact O-N 3.44Å; E287-A289 VanDerWaalsContact C-N 3.32Å; E287-A289 PolarHBondContact O-N 2.78Å; A289-L291 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 3.32Å; A289-K292 WeakPolarHBondContact O-CB 3.28Å; A289-K292 PolarHBondContact O-N 2.73Å; A289-K292 VanDerWaalsContact O-N 3.15Å; A289-E293 PolarHBondContact O-N 3.47Å; A289-I731 HydrophobicContact CB-CD1 3.74Å
290E97.4Very high94.9Very high3 Ų371.6 Ų71.61%0.01437%0.367CS..Hα-helixtrans-56-49.1172.7-70.2-176.5163.100110.6H282 N286 E287 K292 E293 L294 A729 I731 R732H282-E290 IonicContact CD2-OE1 3.15Å; H282-E290 IonicContact CE1-OE1 2.77Å; H282-E290 IonicContact NE2-OE1 3.84Å; H282-E290 PolarHBondContact NE2-OE1 3.01Å; N286-E290 PolarHBondContact O-N 3.28Å; E287-E290 PolarHBondContact O-N 3.01Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.47Å; E290-E293 WeakPolarHBondContact O-CB 3.15Å; E290-E293 PolarHBondContact O-N 3.36Å; E290-E293 VanDerWaalsContact O-N 3.12Å; E290-L294 WeakPolarHBondContact O-CG 3.07Å; E290-L294 PolarHBondContact O-N 3.26Å; E290-A729 HydrophobicContact CB-CB 3.81Å; E290-A729 HydrophobicContact CG-CB 3.9Å; E290-I731 HydrophobicContact CG-CB 3.98Å; E290-I731 HydrophobicContact CG-CG2 3.81Å; E290-R732 WeakPolarHBondContact OE1-CA 3.24Å; E290-R732 WeakPolarHBondContact OE1-CB 3.2Å; E290-R732 IonicContact OE1-CZ 3.81Å; E290-R732 IonicContact OE1-NE 3.48Å; E290-R732 PolarHBondContact OE1-NE 2.78Å; E290-R732 IonicContact OE1-NH2 3.43Å; E290-R732 IonicContact OE2-CZ 3.79Å; E290-R732 IonicContact OE2-NE 3.42Å; E290-R732 PolarHBondContact OE2-NE 3.29Å; E290-R732 IonicContact OE2-NH2 3.05Å; E290-R732 PolarHBondContact OE2-NH2 3.24Å
291L95.7Very high94.7Very high68 Ų6869.5 Ų69.536%0.35636%0.359SS..Hα-helixtrans-62.6-34.6178.7-175.961000112.6E287 A289 L294 K295E287-L291 WeakPolarHBondContact O-CB 3.49Å; E287-L291 PolarHBondContact O-N 3.49Å; A289-L291 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 3.32Å; L291-L294 PolarHBondContact O-N 3.24Å; L291-K295 HydrophobicContact CG-CD 4.24Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CG 3.38Å; L291-K295 PolarHBondContact O-N 2.95Å
292K95.6Very high94.6Very high159 Ų15967.7 Ų67.769%0.69135%0.348SS*.Hα-helixtrans-66-41.2174.8-175.3-175.6176.2-172.30111.3T288 A289 E290 K295 S296T288-K292 WeakPolarHBondContact O-CB 3.39Å; T288-K292 PolarHBondContact O-N 3.42Å; A289-K292 WeakPolarHBondContact O-CB 3.28Å; A289-K292 PolarHBondContact O-N 2.73Å; A289-K292 VanDerWaalsContact O-N 3.15Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.47Å; K292-K295 PolarHBondContact O-N 3.25Å; K292-S296 PolarHBondContact O-N 2.84Å; K292-S296 VanDerWaalsContact O-N 3.13Å
293E95.1Very high94.3Very high42 Ų4275.7 Ų75.720%0.19638%0.379CS..Hα-helixtrans-59.8-49173.4-70.6-165.915600110.9A289 E290 K295 S296 I723 A729 Q730 I731A289-E293 PolarHBondContact O-N 3.47Å; E290-E293 WeakPolarHBondContact O-CB 3.15Å; E290-E293 PolarHBondContact O-N 3.36Å; E290-E293 VanDerWaalsContact O-N 3.12Å; E293-K295 PolarHBondContact O-N 3.27Å; E293-S296 WeakPolarHBondContact O-CB 3.32Å; E293-S296 PolarHBondContact O-N 3.42Å; E293-S296 VanDerWaalsContact O-N 3.07Å; E293-S296 PolarHBondContact O-OG 3.21Å; E293-I723 HydrophobicContact CB-CD1 4.1Å; E293-A729 HydrophobicContact CB-CB 4.48Å; E293-A729 WeakPolarHBondContact OE2-CB 3.31Å; E293-Q730 PolarHBondContact OE2-N 3.11Å; E293-I731 HydrophobicContact CG-CD1 4.13Å; E293-I731 WeakPolarHBondContact OE1-CG1 3.3Å; E293-I731 PolarHBondContact OE2-N 2.82Å
294L94.9Very high94.2Very high10 Ų1075.2 Ų75.25%0.05238%0.378CS..Hα-helixtrans-57.8-48.1179.1-61.1-171.7000111.8E290 L291 S296 I297 T684 C685 I723 N727 A729E290-L294 WeakPolarHBondContact O-CG 3.07Å; E290-L294 PolarHBondContact O-N 3.26Å; L291-L294 PolarHBondContact O-N 3.24Å; L294-S296 PolarHBondContact O-N 2.95Å; L294-I297 PolarHBondContact O-N 2.89Å; L294-I297 VanDerWaalsContact O-N 3.11Å; L294-T684 HydrophobicContact CD1-CG2 4.22Å; L294-C685 HydrophobicContact CD1-CB 3.93Å; L294-I723 HydrophobicContact CD2-CD1 4.19Å; L294-I723 HydrophobicContact CD2-CG1 4.47Å; L294-N727 WeakPolarHBondContact CD2-O 3.28Å; L294-A729 HydrophobicContact CD2-CB 4.24Å
295K93.9Very high94.2Very high160 Ų16070.2 Ų70.270%0.69635%0.352SS*.Hα-helixtrans-63.8-22178.8-73.9175.4179.21750113.7L291 K292 E293 I297L291-K295 HydrophobicContact CG-CD 4.24Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CG 3.38Å; L291-K295 PolarHBondContact O-N 2.95Å; K292-K295 PolarHBondContact O-N 3.25Å; E293-K295 PolarHBondContact O-N 3.27Å; K295-I297 VanDerWaalsContact C-N 3.28Å
296S92.4Very high94.2Very high83 Ų8368.6 Ų68.658%0.5834%0.343SS*.Hα-helixtrans-77.3-15.6178.178.90000113.3K292 E293 L294 P298K292-S296 PolarHBondContact O-N 2.84Å; K292-S296 VanDerWaalsContact O-N 3.13Å; E293-S296 WeakPolarHBondContact O-CB 3.32Å; E293-S296 PolarHBondContact O-N 3.42Å; E293-S296 VanDerWaalsContact O-N 3.07Å; E293-S296 PolarHBondContact O-OG 3.21Å; L294-S296 PolarHBondContact O-N 2.95Å; S296-P298 WeakPolarHBondContact O-CD 3.36Å
297I93.4Very high94.1Very high26 Ų2668.6 Ų68.613%0.13334%0.343CS..SBendtrans-89.8113.5-179-53.8-52.5000109.9L294 K295 R300 I723 R724L294-I297 PolarHBondContact O-N 2.89Å; L294-I297 VanDerWaalsContact O-N 3.11Å; K295-I297 VanDerWaalsContact C-N 3.28Å; I297-R300 HydrophobicContact CB-CB 4.42Å; I297-R300 HydrophobicContact CG2-CB 3.71Å; I297-R300 HydrophobicContact CG2-CG 3.82Å; I297-I723 HydrophobicContact CD1-CD1 4.26Å; I297-I723 HydrophobicContact CD1-CG1 4.47Å; I297-I723 HydrophobicContact CD1-CG2 3.71Å; I297-I723 HydrophobicContact CG1-CD1 3.8Å; I297-I723 HydrophobicContact CG1-CG1 3.89Å; I297-I723 HydrophobicContact CG1-CG2 4.04Å; I297-R724 HydrophobicContact CG2-CB 4.47Å; I297-R724 HydrophobicContact CG2-CG 4.24Å
298P89.1Confident94.3Very high100 Ų10063.5 Ų63.565%0.64932%0.319SS*.THydrogen-bonded Turntrans-70.3145.9178.630-34.5000110.8S296 R300S296-P298 WeakPolarHBondContact O-CD 3.36Å; P298-R300 PolarHBondContact O-N 2.88Å; P298-R300 VanDerWaalsContact O-N 3.15Å
299H87.2Confident94.4Very high164 Ų16458.5 Ų58.576%0.75929%0.288SS*.THydrogen-bonded Turntrans58.921175.4-55.3-73.1000115.5N304H299-N304 PolarHBondContact O-OD1 3.4Å
300R90.8Very high94.4Very high59 Ų5956.9 Ų56.922%0.22327%0.274CS..  trans-125.6128.2173.5-68.2-64.9177.8-99.8-7.3112.3I297 P298 N304 R724 N727I297-R300 HydrophobicContact CB-CB 4.42Å; I297-R300 HydrophobicContact CG2-CB 3.71Å; I297-R300 HydrophobicContact CG2-CG 3.82Å; P298-R300 PolarHBondContact O-N 2.88Å; P298-R300 VanDerWaalsContact O-N 3.15Å; R300-N304 WeakPolarHBondContact CA-OD1 3.41Å; R300-R724 WeakPolarHBondContact CD-O 3.17Å; R300-R724 WeakPolarHBondContact CG-O 3.14Å; R300-R724 PolarHBondContact NE-O 2.94Å; R300-R724 PolarHBondContact NH2-O 2.75Å; R300-N727 HydrophobicContact CB-CB 4.27Å
301D92.5Very high94.4Very high63 Ų6356.7 Ų56.734%0.33727%0.274SS..SBendtrans-158.3-176.817760.555.5000108.5Y303 N304 V305 N727D301-Y303 VanDerWaalsContact C-N 3.26Å; D301-Y303 PolarHBondContact O-N 3.38Å; D301-Y303 WeakPolarHBondContact OD1-CA 3.19Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.48Å; D301-Y303 PolarHBondContact OD1-N 3.32Å; D301-N304 PolarHBondContact N-OD1 3.39Å; D301-N304 PolarHBondContact O-N 2.85Å; D301-N304 PolarHBondContact O-OD1 3.46Å; D301-N304 PolarHBondContact OD1-ND2 2.84Å; D301-N304 VanDerWaalsContact OD1-ND2 3.07Å; D301-N304 PolarHBondContact OD1-OD1 2.95Å; D301-N304 PolarHBondContact OD2-ND2 3.46Å; D301-V305 WeakPolarHBondContact O-CG1 3.31Å; D301-V305 PolarHBondContact O-N 3.12Å; D301-N727 WeakPolarHBondContact CA-ND2 3.19Å
302F94.3Very high94.5Very high30 Ų3053.9 Ų53.913%0.13226%0.259CS..THydrogen-bonded Turntrans-59.7-28.8-178.5175.5-113000114.8V305 K307 M670 Y673 V687F302-V305 HydrophobicContact CD2-CG2 4.44Å; F302-V305 VanDerWaalsContact O-CG2 3.26Å; F302-V305 WeakPolarHBondContact O-CG2 3.25Å; F302-K307 HydrophobicContact CE2-CD 4.13Å; F302-K307 HydrophobicContact CZ-CD 4.08Å; F302-M670 HydrophobicContact CD1-CE 4.22Å; F302-M670 HydrophobicContact CE1-CE 3.46Å; F302-M670 VanDerWaalsContact CE1-CE 3.46Å; F302-M670 HydrophobicContact CE1-SD 4.34Å; F302-M670 HydrophobicContact CZ-CE 4.17Å; F302-Y673 AromaticContact CE2-CD1 3.36Å; F302-Y673 HydrophobicContact CE2-CD1 3.36Å; F302-Y673 AromaticContact CE2-CE1 3.81Å; F302-Y673 HydrophobicContact CE2-CE1 3.81Å; F302-Y673 HydrophobicContact CE2-CG 4.04Å; F302-Y673 AromaticContact CZ-CD1 3.41Å; F302-Y673 HydrophobicContact CZ-CD1 3.41Å; F302-Y673 VanDerWaalsContact CZ-CD1 3.41Å; F302-Y673 HydrophobicContact CZ-CE1 4.21Å; F302-Y673 AromaticContact CZ-CG 3.59Å; F302-Y673 HydrophobicContact CZ-CG 3.59Å; F302-V687 HydrophobicContact CB-CG2 4.4Å; F302-V687 HydrophobicContact CD2-CB 3.96Å; F302-V687 HydrophobicContact CD2-CG2 3.54Å; F302-V687 HydrophobicContact CE2-CB 3.94Å; F302-V687 HydrophobicContact CE2-CG2 4.04Å; F302-V687 HydrophobicContact CG-CG2 4.02Å
303Y92.2Very high94.6Very high169 Ų16946.9 Ų46.966%0.66323%0.229SC*.THydrogen-bonded Turntrans-79-19.9-177-65.7-80.3000113.5D301 Y427 M670D301-Y303 VanDerWaalsContact C-N 3.26Å; D301-Y303 PolarHBondContact O-N 3.38Å; D301-Y303 WeakPolarHBondContact OD1-CA 3.19Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.48Å; D301-Y303 PolarHBondContact OD1-N 3.32Å; Y303-Y427 WeakPolarHBondContact O-CD2 3.43Å; Y303-M670 HydrophobicContact CD1-CE 3.95Å; Y303-M670 HydrophobicContact CE1-CE 3.83Å
304N93.6Very high94.7Very high24 Ų2445 Ų4513%0.12822%0.22CC..THydrogen-bonded Turntrans-118.411.9-174.44651.9000114H299 R300 D301 R306 Y427H299-N304 PolarHBondContact O-OD1 3.4Å; R300-N304 WeakPolarHBondContact CA-OD1 3.41Å; D301-N304 PolarHBondContact N-OD1 3.39Å; D301-N304 PolarHBondContact O-N 2.85Å; D301-N304 PolarHBondContact O-OD1 3.46Å; D301-N304 PolarHBondContact OD1-ND2 2.84Å; D301-N304 VanDerWaalsContact OD1-ND2 3.07Å; D301-N304 PolarHBondContact OD1-OD1 2.95Å; D301-N304 PolarHBondContact OD2-ND2 3.46Å; N304-R306 PolarHBondContact O-NH1 3.4Å; N304-Y427 HydrophobicContact CB-CD1 4.41Å; N304-Y427 HydrophobicContact CB-CD2 4.19Å; N304-Y427 HydrophobicContact CB-CE1 3.89Å; N304-Y427 HydrophobicContact CB-CE2 3.65Å; N304-Y427 VanDerWaalsContact CB-CZ 3.46Å; N304-Y427 VanDerWaalsContact O-CD1 3.25Å; N304-Y427 WeakPolarHBondContact O-CD1 3.34Å; N304-Y427 WeakPolarHBondContact O-CE1 3.47Å
305V95.9Very high94.7Very high3 Ų345.8 Ų45.82%0.01823%0.228CC..SBendtrans-87.3146.6159.7-63.60000110.2D301 F302 Y427 A691 T726 N727D301-V305 WeakPolarHBondContact O-CG1 3.31Å; D301-V305 PolarHBondContact O-N 3.12Å; F302-V305 HydrophobicContact CD2-CG2 4.44Å; F302-V305 VanDerWaalsContact O-CG2 3.26Å; F302-V305 WeakPolarHBondContact O-CG2 3.25Å; V305-Y427 WeakPolarHBondContact O-CB 3.14Å; V305-A691 HydrophobicContact CG2-CB 4.18Å; V305-T726 VanDerWaalsContact CG1-C 3.47Å; V305-T726 WeakPolarHBondContact CG1-O 3.43Å; V305-N727 HydrophobicContact CG1-CB 3.46Å; V305-N727 VanDerWaalsContact CG1-CB 3.46Å
306R96.9Very high94.7Very high21 Ų2138.2 Ų38.28%0.07920%0.195CC..  trans-79.9137-179.1-7470.8170.4172.9-6.6109N304 Y427 Y429 V695 F708N304-R306 PolarHBondContact O-NH1 3.4Å; R306-Y427 WeakPolarHBondContact CA-O 3.47Å; R306-Y427 HydrophobicContact CG-CD1 4.44Å; R306-Y429 HydrophobicContact CG-CE2 3.99Å; R306-V695 HydrophobicContact CB-CG2 3.98Å; R306-V695 VanDerWaalsContact O-CG2 3.29Å; R306-V695 WeakPolarHBondContact O-CG2 3.43Å; R306-F708 HydrophobicContact CB-CB 4.36Å; R306-F708 HydrophobicContact CB-CD2 4.2Å; R306-F708 HydrophobicContact CB-CG 4.17Å; R306-F708 HydrophobicContact CG-CB 4.33Å; R306-F708 HydrophobicContact CG-CD1 3.8Å; R306-F708 HydrophobicContact CG-CD2 4.07Å; R306-F708 HydrophobicContact CG-CE1 4.14Å; R306-F708 HydrophobicContact CG-CE2 4.36Å; R306-F708 HydrophobicContact CG-CG 3.81Å; R306-F708 HydrophobicContact CG-CZ 4.43Å
307K97.2Very high94.9Very high3 Ų334.6 Ų34.61%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-134.1136177.410.6178.5-80153.80108.4F302 Y427 Y429 L669 M670 Y673 A691F302-K307 HydrophobicContact CE2-CD 4.13Å; F302-K307 HydrophobicContact CZ-CD 4.08Å; K307-Y427 PolarHBondContact N-O 3.11Å; K307-Y429 PolarHBondContact O-N 2.62Å; K307-L669 HydrophobicContact CB-CD2 4.29Å; K307-L669 PolarHBondContact NZ-O 3.48Å; K307-M670 HydrophobicContact CD-SD 4.13Å; K307-M670 WeakPolarHBondContact CE-SD 3.35Å; K307-M670 PolarHBondContact NZ-SD 3.28Å; K307-Y673 HydrophobicContact CD-CE2 4.49Å; K307-A691 HydrophobicContact CB-CB 4.07Å; K307-A691 HydrophobicContact CG-CB 4.48Å
308V98.4Very high95Very high1 Ų133.3 Ų33.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-114.9128.6-179.3-168.80000108.3T310 Y429 E431 S694 V695 L700V308-T310 HydrophobicContact CB-CG2 4.15Å; V308-T310 HydrophobicContact CG1-CG2 4.15Å; V308-T310 PolarHBondContact O-N 2.92Å; V308-T310 VanDerWaalsContact O-N 3.11Å; V308-Y429 CarbonylContact C-O 3.59Å; V308-Y429 WeakPolarHBondContact CA-O 3.37Å; V308-E431 HydrophobicContact CG1-CG 4.1Å; V308-S694 PolarHBondContact N-OG 3.42Å; V308-S694 VanDerWaalsContact O-CB 3.3Å; V308-S694 WeakPolarHBondContact O-CB 3.5Å; V308-V695 HydrophobicContact CG2-CB 4.42Å; V308-V695 HydrophobicContact CG2-CG2 3.93Å; V308-L700 HydrophobicContact CG2-CD1 3.91Å
309D98.5Very high95.3Very high6 Ų629.3 Ų29.33%0.03214%0.137CC..EExtended strand (participates in β ladder)trans-74.894.8163.6-163.8-17.4000109.3H311 I312 Y429 A430 E431 S655 T656 L669D309-H311 VanDerWaalsContact C-N 3.28Å; D309-H311 PolarHBondContact OD1-N 2.61Å; D309-H311 VanDerWaalsContact OD1-O 3.13Å; D309-I312 HydrophobicContact CB-CG2 4.43Å; D309-Y429 PolarHBondContact N-O 3.23Å; D309-A430 HydrophobicContact CB-CB 4.23Å; D309-E431 PolarHBondContact O-N 3.15Å; D309-S655 WeakPolarHBondContact OD1-CA 3.42Å; D309-S655 WeakPolarHBondContact OD1-CB 3.4Å; D309-T656 PolarHBondContact OD1-N 3.19Å; D309-T656 VanDerWaalsContact OD2-CB 3.28Å; D309-T656 WeakPolarHBondContact OD2-CB 3.49Å; D309-T656 WeakPolarHBondContact OD2-CG2 3.31Å; D309-T656 PolarHBondContact OD2-OG1 2.98Å; D309-L669 HydrophobicContact CB-CD1 4.14Å; D309-L669 HydrophobicContact CB-CD2 4.07Å
310T97Very high95.6Very high0 Ų022.2 Ų22.20%010%0.104CC..EExtended strand (participates in β ladder)trans-80-12.9-175.9500000112.7V308 R433 R578 A624 S653 S694 Q697V308-T310 HydrophobicContact CB-CG2 4.15Å; V308-T310 HydrophobicContact CG1-CG2 4.15Å; V308-T310 PolarHBondContact O-N 2.92Å; V308-T310 VanDerWaalsContact O-N 3.11Å; T310-R433 PolarHBondContact O-NH1 3.38Å; T310-R433 PolarHBondContact O-NH2 3.42Å; T310-R578 PolarHBondContact O-NH2 3.4Å; T310-R578 VanDerWaalsContact O-NH2 3.08Å; T310-A624 WeakPolarHBondContact OG1-CB 3.17Å; T310-S653 PolarHBondContact OG1-OG 3.26Å; T310-S694 WeakPolarHBondContact CG2-O 3.5Å; T310-Q697 HydrophobicContact CG2-CB 4.19Å; T310-Q697 HydrophobicContact CG2-CG 4.14Å
311H98.1Very high95.7Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-136.495.4178.7-174.5-143.8000113D309 H313 R433 H580 H602 A624 S655 T656 D657D309-H311 VanDerWaalsContact C-N 3.28Å; D309-H311 PolarHBondContact OD1-N 2.61Å; D309-H311 VanDerWaalsContact OD1-O 3.13Å; H311-H313 AromaticContact NE2-CE1 3.95Å; H311-H313 AromaticContact NE2-NE2 3.67Å; H311-R433 VanDerWaalsContact CA-NH1 3.34Å; H311-R433 PolarHBondContact CD2-NE 2.63Å; H311-R433 PolarHBondContact CD2-NH2 3.22Å; H311-R433 VanDerWaalsContact CD2-NH2 3.32Å; H311-H580 AromaticContact CD2-CE1 3.85Å; H311-H580 AromaticContact CE1-CD2 3.91Å; H311-H580 AromaticContact CE1-CE1 3.53Å; H311-H580 AromaticContact CE1-NE2 3.22Å; H311-H580 PolarHBondContact CE1-NE2 3.11Å; H311-H580 AromaticContact NE2-CE1 2.92Å; H311-H580 PolarHBondContact NE2-CE1 3.08Å; H311-H580 AromaticContact NE2-ND1 3.95Å; H311-H580 AromaticContact NE2-NE2 2.98Å; H311-H580 PolarHBondContact NE2-NE2 2.7Å; H311-H602 AromaticContact CE1-CE1 3.56Å; H311-H602 AromaticContact CE1-NE2 3.28Å; H311-H602 PolarHBondContact CE1-NE2 3.34Å; H311-H602 VanDerWaalsContact CE1-NE2 3.28Å; H311-H602 AromaticContact ND1-CE1 3.91Å; H311-H602 AromaticContact ND1-NE2 3.86Å; H311-A624 HydrophobicContact CB-CB 3.9Å; H311-S655 VanDerWaalsContact CB-CB 3.49Å; H311-S655 WeakPolarHBondContact CB-OG 3.43Å; H311-S655 WeakPolarHBondContact O-CB 3.42Å; H311-T656 PolarHBondContact O-N 3.14Å; H311-D657 IonicContact CE1-OD1 3.54Å; H311-D657 PolarHBondContact CE1-OD1 3.05Å; H311-D657 IonicContact ND1-OD1 3.67Å; H311-D657 IonicContact NE2-OD1 2.63Å; H311-D657 WeakPolarHBondContact O-CA 3.18Å; H311-D657 PolarHBondContact O-N 3.36Å
312I97.8Very high95.8Very high8 Ų823.9 Ų23.94%0.04111%0.111CC..EExtended strand (participates in β ladder)trans-145.7136.7179.2-175.9174.5000111.2D309 C317 A430 P432 R433 D657 P659D309-I312 HydrophobicContact CB-CG2 4.43Å; I312-C317 HydrophobicContact CD1-CB 3.57Å; I312-C317 HydrophobicContact CG1-CB 3.91Å; I312-A430 HydrophobicContact CG2-CB 4.36Å; I312-P432 HydrophobicContact CG2-CB 4.2Å; I312-P432 HydrophobicContact CG2-CG 4.05Å; I312-P432 CarbonylContact O-C 3.52Å; I312-P432 WeakPolarHBondContact O-CA 3.45Å; I312-R433 PolarHBondContact O-N 3.27Å; I312-D657 CarbonylContact C-O 3.44Å; I312-D657 WeakPolarHBondContact CA-O 3.26Å; I312-P659 HydrophobicContact CD1-CG 3.83Å; I312-P659 HydrophobicContact CG1-CG 4.17Å
313H97.7Very high95.9Very high13 Ų1322.4 Ų22.46%0.0610%0.104CC..EExtended strand (participates in β ladder)trans-89.9125.7175.4-67.9-65.7000110.9H311 A315 A316 C317 Q466 H580 D657 D658H311-H313 AromaticContact NE2-CE1 3.95Å; H311-H313 AromaticContact NE2-NE2 3.67Å; H313-A315 VanDerWaalsContact C-N 3.25Å; H313-A315 PolarHBondContact O-N 2.9Å; H313-A316 CarbonylContact O-C 3.42Å; H313-A316 PolarHBondContact O-N 3.46Å; H313-C317 PolarHBondContact O-N 2.95Å; H313-C317 VanDerWaalsContact O-N 3.08Å; H313-Q466 PolarHBondContact CE1-OE1 3.37Å; H313-Q466 VanDerWaalsContact CE1-OE1 3.29Å; H313-Q466 PolarHBondContact ND1-OE1 2.92Å; H313-H580 AromaticContact CE1-CE1 3.64Å; H313-H580 AromaticContact CE1-NE2 3.5Å; H313-H580 PolarHBondContact CE1-NE2 3.03Å; H313-H580 AromaticContact NE2-CE1 3.96Å; H313-H580 AromaticContact NE2-NE2 3.42Å; H313-H580 PolarHBondContact NE2-NE2 3.22Å; H313-D657 IonicContact CD2-OD1 2.97Å; H313-D657 PolarHBondContact CD2-OD1 3.39Å; H313-D657 PolarHBondContact N-O 2.88Å; H313-D657 IonicContact NE2-OD1 3.11Å; H313-D657 PolarHBondContact NE2-OD1 2.88Å; H313-D658 WeakPolarHBondContact CB-OD1 3.29Å; H313-D658 IonicContact CD2-OD1 3.67Å; H313-D658 PolarHBondContact CD2-OD1 2.85Å; H313-D658 IonicContact CD2-OD2 2.92Å; H313-D658 IonicContact CG-OD1 3.93Å
314A96.9Very high96Very high2 Ų214.6 Ų14.62%0.0177%0.074CC..G310 helixtrans-60.3-35.4-174.100000113A316 C317 F411 P432 R433 L434 W463A314-A316 PolarHBondContact O-N 2.77Å; A314-C317 PolarHBondContact O-N 2.91Å; A314-C317 PolarHBondContact O-SG 3.26Å; A314-F411 HydrophobicContact CB-CZ 4.1Å; A314-F411 WeakPolarHBondContact O-CE2 3.35Å; A314-F411 WeakPolarHBondContact O-CZ 3.4Å; A314-P432 HydrophobicContact CB-CB 3.83Å; A314-R433 WeakPolarHBondContact CB-O 3.29Å; A314-R433 PolarHBondContact N-O 2.67Å; A314-L434 HydrophobicContact CB-CD2 3.87Å; A314-L434 HydrophobicContact CB-CG 4.4Å; A314-W463 HydrophobicContact CB-CZ3 4.1Å
315A94.5Very high96Very high27 Ų2715.5 Ų15.522%0.2238%0.08CC..G310 helixtrans-67.7-14.7-179.500000114.1H313 Y387H313-A315 VanDerWaalsContact C-N 3.25Å; H313-A315 PolarHBondContact O-N 2.9Å; A315-Y387 HydrophobicContact CB-CD1 4.36Å; A315-Y387 HydrophobicContact CB-CE1 4.38Å
316A95.2Very high96Very high0 Ų015.5 Ų15.50%08%0.08CC..G310 helixtrans-132.320.9-178.500000112.3H313 A314 M318 Y387 D658 P659 M660H313-A316 CarbonylContact O-C 3.42Å; H313-A316 PolarHBondContact O-N 3.46Å; A314-A316 PolarHBondContact O-N 2.77Å; A316-M318 PolarHBondContact O-N 3.16Å; A316-Y387 HydrophobicContact CB-CD1 4.42Å; A316-Y387 HydrophobicContact CB-CE1 3.81Å; A316-D658 HydrophobicContact CB-CB 3.69Å; A316-D658 WeakPolarHBondContact CB-OD1 3.44Å; A316-P659 WeakPolarHBondContact O-CB 3.39Å; A316-P659 WeakPolarHBondContact O-CD 3.23Å; A316-M660 HydrophobicContact CB-CB 3.82Å; A316-M660 HydrophobicContact CB-CE 4.04Å; A316-M660 PolarHBondContact O-N 3.17Å
317C95.9Very high95.9Very high7 Ų714.5 Ų14.55%0.0478%0.076CC..  trans-72.2-11.2-173.866.50000114.6I312 H313 A314 I415I312-C317 HydrophobicContact CD1-CB 3.57Å; I312-C317 HydrophobicContact CG1-CB 3.91Å; H313-C317 PolarHBondContact O-N 2.95Å; H313-C317 VanDerWaalsContact O-N 3.08Å; A314-C317 PolarHBondContact O-N 2.91Å; A314-C317 PolarHBondContact O-SG 3.26Å; C317-I415 WeakPolarHBondContact SG-CD1 3.43Å
318M95.6Very high95.7Very high0 Ų016.2 Ų16.20%08%0.084CC..SBendtrans-105.1149177.265.3-72.6-158.300111.7A316 H322 L323 L400 I414 V418 M660A316-M318 PolarHBondContact O-N 3.16Å; M318-H322 HydrophobicContact CB-CB 4.21Å; M318-L323 HydrophobicContact CE-CB 4.17Å; M318-L323 HydrophobicContact CE-CD1 3.82Å; M318-L323 HydrophobicContact CE-CD2 4.33Å; M318-L323 HydrophobicContact CE-CG 4.32Å; M318-L323 HydrophobicContact CG-CB 4.34Å; M318-L400 HydrophobicContact CE-CD2 3.28Å; M318-I414 HydrophobicContact CB-CG2 4.25Å; M318-I414 HydrophobicContact CE-CD1 3.93Å; M318-I414 HydrophobicContact CE-CG2 3.59Å; M318-I414 HydrophobicContact CG-CG2 3.84Å; M318-I414 HydrophobicContact SD-CG2 3.66Å; M318-V418 HydrophobicContact CB-CG2 3.82Å; M318-M660 WeakPolarHBondContact O-CA 3.47Å; M318-M660 WeakPolarHBondContact O-CB 3.36Å; M318-M660 PolarHBondContact O-N 2.95Å; M318-M660 VanDerWaalsContact O-N 3.07Å
319P94.8Very high95.5Very high15 Ų1520.6 Ų20.610%0.09711%0.105CC..  trans-62.3152.7171.4-21.232.6000112.7K321 H322 L323 T665 P668P319-K321 PolarHBondContact O-N 2.67Å; P319-K321 VanDerWaalsContact O-N 3.15Å; P319-H322 VanDerWaalsContact O-CB 3.3Å; P319-H322 WeakPolarHBondContact O-CB 2.99Å; P319-H322 PolarHBondContact O-N 2.92Å; P319-L323 PolarHBondContact O-N 2.92Å; P319-T665 WeakPolarHBondContact CG-O 3.36Å; P319-P668 HydrophobicContact CG-CG 4.07Å
320Q92.9Very high95.2Very high15 Ų1522.1 Ų22.17%0.0711%0.11CC..Hα-helixtrans-54.9-35.3178.556.7-178.31.700114.4H322 L323 L324 V365 V370Q320-H322 VanDerWaalsContact C-N 3.31Å; Q320-H322 PolarHBondContact O-N 2.83Å; Q320-L323 PolarHBondContact O-N 2.73Å; Q320-L324 PolarHBondContact O-N 3.02Å; Q320-V365 HydrophobicContact CB-CG1 4.24Å; Q320-V365 HydrophobicContact CG-CG1 3.57Å; Q320-V370 HydrophobicContact CB-CG2 3.61Å
321K93.8Very high95Very high118 Ų11823.8 Ų23.851%0.51312%0.117SC..Hα-helixtrans-67.4-33.8178.2179.858.2-176.8170.90112.1P319 L324 T325 V365P319-K321 PolarHBondContact O-N 2.67Å; P319-K321 VanDerWaalsContact O-N 3.15Å; K321-L324 HydrophobicContact CD-CD2 4.46Å; K321-T325 WeakPolarHBondContact O-CB 3.23Å; K321-T325 PolarHBondContact O-N 3.37Å; K321-T325 VanDerWaalsContact O-N 3.1Å; K321-T325 PolarHBondContact O-OG1 3.15Å; K321-V365 HydrophobicContact CB-CG2 4.47Å; K321-V365 HydrophobicContact CD-CG2 4Å
322H95.4Very high94.6Very high39 Ų3930.6 Ų30.618%0.18115%0.146CC..Hα-helixtrans-66.5-51.2175.6-175.4-179000109.9M318 P319 Q320 L324 T325 F326 E417M318-H322 HydrophobicContact CB-CB 4.21Å; P319-H322 VanDerWaalsContact O-CB 3.3Å; P319-H322 WeakPolarHBondContact O-CB 2.99Å; P319-H322 PolarHBondContact O-N 2.92Å; Q320-H322 VanDerWaalsContact C-N 3.31Å; Q320-H322 PolarHBondContact O-N 2.83Å; H322-L324 VanDerWaalsContact C-N 3.32Å; H322-L324 PolarHBondContact O-N 2.98Å; H322-T325 PolarHBondContact O-N 3.48Å; H322-T325 VanDerWaalsContact O-N 3.16Å; H322-F326 WeakPolarHBondContact O-CB 3.42Å; H322-F326 PolarHBondContact O-N 2.98Å; H322-E417 IonicContact CD2-OE2 3.67Å; H322-E417 IonicContact CE1-OE2 3.8Å; H322-E417 IonicContact NE2-OE2 3.26Å; H322-E417 PolarHBondContact NE2-OE2 3.05Å
323L95.3Very high94.4Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-56.7-44.8176.6177.260.1000112.2M318 P319 Q320 T325 F326 I327 P389 L400 I414 M660M318-L323 HydrophobicContact CE-CB 4.17Å; M318-L323 HydrophobicContact CE-CD1 3.82Å; M318-L323 HydrophobicContact CE-CD2 4.33Å; M318-L323 HydrophobicContact CE-CG 4.32Å; M318-L323 HydrophobicContact CG-CB 4.34Å; P319-L323 PolarHBondContact O-N 2.92Å; Q320-L323 PolarHBondContact O-N 2.73Å; L323-T325 PolarHBondContact O-N 3.25Å; L323-F326 PolarHBondContact O-N 2.92Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 4.06Å; L323-I327 HydrophobicContact CG-CD1 3.87Å; L323-I327 HydrophobicContact CG-CG1 4.47Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 3.47Å; L323-P389 HydrophobicContact CD2-CG 4.1Å; L323-L400 HydrophobicContact CD1-CD2 4.17Å; L323-L400 HydrophobicContact CD2-CD2 4.49Å; L323-I414 HydrophobicContact CD1-CD1 4.06Å; L323-M660 HydrophobicContact CD2-SD 3.56Å; L323-M660 VanDerWaalsContact CD2-SD 3.56Å
324L94.5Very high94.2Very high4 Ų435.3 Ų35.32%0.02118%0.175CC..Hα-helixtrans-55.9-51.7176.3177.961.6000111.8Q320 K321 H322 F326 I327 Q328 L363 V365 L368Q320-L324 PolarHBondContact O-N 3.02Å; K321-L324 HydrophobicContact CD-CD2 4.46Å; H322-L324 VanDerWaalsContact C-N 3.32Å; H322-L324 PolarHBondContact O-N 2.98Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.28Å; L324-I327 PolarHBondContact O-N 2.75Å; L324-Q328 HydrophobicContact CD1-CG 4.18Å; L324-Q328 WeakPolarHBondContact O-CG 3.29Å; L324-Q328 PolarHBondContact O-N 3.42Å; L324-L363 HydrophobicContact CD1-CB 3.5Å; L324-L363 HydrophobicContact CD1-CD1 4.48Å; L324-V365 HydrophobicContact CD2-CG2 3.67Å; L324-L368 HydrophobicContact CB-CD1 3.62Å; L324-L368 HydrophobicContact CD1-CD1 4.12Å; L324-L368 HydrophobicContact CD1-CD2 4.42Å; L324-L368 HydrophobicContact CD1-CG 4.15Å; L324-L368 HydrophobicContact CG-CD1 4.41Å
325T94.4Very high93.9Very high44 Ų4439.5 Ų39.527%0.2719%0.193SC..Hα-helixtrans-61.8-42.4-177.1-53.60000109.9K321 H322 L323 Q328 E329K321-T325 WeakPolarHBondContact O-CB 3.23Å; K321-T325 PolarHBondContact O-N 3.37Å; K321-T325 VanDerWaalsContact O-N 3.1Å; K321-T325 PolarHBondContact O-OG1 3.15Å; H322-T325 PolarHBondContact O-N 3.48Å; H322-T325 VanDerWaalsContact O-N 3.16Å; L323-T325 PolarHBondContact O-N 3.25Å; T325-Q328 PolarHBondContact O-N 3.17Å; T325-E329 WeakPolarHBondContact O-CB 3.48Å; T325-E329 WeakPolarHBondContact O-CG 3.32Å; T325-E329 PolarHBondContact O-N 3.19Å
326F95.3Very high93.9Very high2 Ų243.2 Ų43.21%0.00921%0.209CC..Hα-helixtrans-59.8-48.2175.8-172.6-88.9000112.2H322 L323 L324 Q328 E329 R330 F399 Y410 R413 I414 E417H322-F326 WeakPolarHBondContact O-CB 3.42Å; H322-F326 PolarHBondContact O-N 2.98Å; L323-F326 PolarHBondContact O-N 2.92Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.28Å; F326-Q328 PolarHBondContact O-N 3.22Å; F326-E329 PolarHBondContact O-N 3.29Å; F326-R330 HydrophobicContact CD1-CG 3.83Å; F326-R330 HydrophobicContact CE1-CG 3.44Å; F326-R330 VanDerWaalsContact CE1-CG 3.44Å; F326-R330 HydrophobicContact CE2-CG 4.47Å; F326-R330 HydrophobicContact CG-CG 4.49Å; F326-R330 HydrophobicContact CZ-CG 3.8Å; F326-R330 WeakPolarHBondContact O-CB 3.48Å; F326-R330 VanDerWaalsContact O-CG 3.31Å; F326-R330 WeakPolarHBondContact O-CG 3.49Å; F326-R330 PolarHBondContact O-N 2.89Å; F326-F399 HydrophobicContact CD1-CD1 4.1Å; F326-F399 HydrophobicContact CD1-CE1 4.26Å; F326-F399 AromaticContact CE1-CD1 3.95Å; F326-F399 HydrophobicContact CE1-CD1 3.95Å; F326-F399 HydrophobicContact CE1-CE1 4.14Å; F326-Y410 HydrophobicContact CE1-CG 4.33Å; F326-Y410 HydrophobicContact CZ-CD1 4.5Å; F326-R413 HydrophobicContact CE2-CB 3.87Å; F326-R413 HydrophobicContact CZ-CB 3.87Å; F326-I414 HydrophobicContact CD1-CD1 3.76Å; F326-I414 HydrophobicContact CD1-CG1 3.73Å; F326-I414 HydrophobicContact CD2-CG1 3.78Å; F326-I414 HydrophobicContact CE1-CD1 3.9Å; F326-I414 HydrophobicContact CE1-CG1 3.77Å; F326-I414 HydrophobicContact CE2-CG1 3.82Å; F326-I414 HydrophobicContact CG-CD1 4.18Å; F326-I414 HydrophobicContact CG-CG1 3.74Å; F326-I414 HydrophobicContact CZ-CD1 4.42Å; F326-I414 HydrophobicContact CZ-CG1 3.81Å; F326-E417 WeakPolarHBondContact CE2-OE1 3.39Å
327I94.2Very high93.9Very high1 Ų147 Ų471%0.00522%0.224CC..Hα-helixtrans-60.1-45.7178-69.3169.5000110.8L323 L324 E329 R330 Y331 F353 L363 L368 F399L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 4.06Å; L323-I327 HydrophobicContact CG-CD1 3.87Å; L323-I327 HydrophobicContact CG-CG1 4.47Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 3.47Å; L324-I327 PolarHBondContact O-N 2.75Å; I327-E329 PolarHBondContact O-N 3.45Å; I327-R330 PolarHBondContact O-N 3.49Å; I327-Y331 WeakPolarHBondContact O-CB 3.22Å; I327-Y331 PolarHBondContact O-N 2.7Å; I327-F353 HydrophobicContact CG2-CE2 4.44Å; I327-F353 HydrophobicContact CG2-CZ 3.68Å; I327-L363 HydrophobicContact CG2-CD1 3.85Å; I327-L368 HydrophobicContact CD1-CD2 4.11Å; I327-F399 HydrophobicContact CB-CZ 4.45Å; I327-F399 HydrophobicContact CD1-CD2 4.34Å; I327-F399 HydrophobicContact CD1-CE2 4.49Å; I327-F399 HydrophobicContact CG1-CD1 4.19Å; I327-F399 HydrophobicContact CG1-CD2 4.09Å; I327-F399 HydrophobicContact CG1-CE1 4.08Å; I327-F399 HydrophobicContact CG1-CE2 3.99Å; I327-F399 HydrophobicContact CG1-CG 4.2Å; I327-F399 HydrophobicContact CG1-CZ 3.98Å; I327-F399 HydrophobicContact CG2-CE2 4.39Å; I327-F399 HydrophobicContact CG2-CZ 4.28Å
328Q93.2Very high93.8Very high39 Ų3948.5 Ų48.518%0.18223%0.232CC..Hα-helixtrans-63.3-41.3179.8-72.6-179.6-35.200112.4L324 T325 F326 K332 L363L324-Q328 HydrophobicContact CD1-CG 4.18Å; L324-Q328 WeakPolarHBondContact O-CG 3.29Å; L324-Q328 PolarHBondContact O-N 3.42Å; T325-Q328 PolarHBondContact O-N 3.17Å; F326-Q328 PolarHBondContact O-N 3.22Å; Q328-K332 WeakPolarHBondContact O-CG 3.27Å; Q328-K332 PolarHBondContact O-N 3.5Å; Q328-L363 PolarHBondContact NE2-O 3.46Å
329E93.7Very high93.7Very high92 Ų9248.5 Ų48.543%0.4323%0.233SC..Hα-helixtrans-67.3-46.4176.1-74179.6-177.900111.9T325 F326 I327 Y331 K332 T333T325-E329 WeakPolarHBondContact O-CB 3.48Å; T325-E329 WeakPolarHBondContact O-CG 3.32Å; T325-E329 PolarHBondContact O-N 3.19Å; F326-E329 PolarHBondContact O-N 3.29Å; I327-E329 PolarHBondContact O-N 3.45Å; E329-Y331 VanDerWaalsContact C-N 3.3Å; E329-Y331 PolarHBondContact O-N 2.89Å; E329-K332 PolarHBondContact O-N 3.48Å; E329-K332 VanDerWaalsContact O-N 3.09Å; E329-T333 PolarHBondContact O-N 3.13Å; E329-T333 PolarHBondContact O-OG1 3.31Å
330R93.5Very high93.6Very high39 Ų3948.2 Ų48.215%0.14723%0.23CC..Hα-helixtrans-61.2-38.7176.7-70.8-53.3106.9-154.61.8111.9F326 I327 K332 T333 D334 F399 Y410F326-R330 HydrophobicContact CD1-CG 3.83Å; F326-R330 HydrophobicContact CE1-CG 3.44Å; F326-R330 VanDerWaalsContact CE1-CG 3.44Å; F326-R330 HydrophobicContact CE2-CG 4.47Å; F326-R330 HydrophobicContact CG-CG 4.49Å; F326-R330 HydrophobicContact CZ-CG 3.8Å; F326-R330 WeakPolarHBondContact O-CB 3.48Å; F326-R330 VanDerWaalsContact O-CG 3.31Å; F326-R330 WeakPolarHBondContact O-CG 3.49Å; F326-R330 PolarHBondContact O-N 2.89Å; I327-R330 PolarHBondContact O-N 3.49Å; R330-K332 VanDerWaalsContact C-N 3.31Å; R330-K332 PolarHBondContact O-N 2.95Å; R330-T333 PolarHBondContact NH1-OG1 3.25Å; R330-T333 VanDerWaalsContact NH1-OG1 3.17Å; R330-T333 PolarHBondContact O-N 3.14Å; R330-D334 WeakPolarHBondContact CD-OD2 3.46Å; R330-D334 IonicContact NH1-OD1 3.78Å; R330-D334 IonicContact NH1-OD2 3.09Å; R330-D334 PolarHBondContact NH1-OD2 3.26Å; R330-D334 VanDerWaalsContact NH1-OD2 3.09Å; R330-D334 WeakPolarHBondContact O-CA 3.24Å; R330-D334 WeakPolarHBondContact O-CB 3.4Å; R330-D334 PolarHBondContact O-N 3.26Å; R330-F399 HydrophobicContact CB-CE1 4.27Å; R330-F399 HydrophobicContact CG-CE1 4.29Å; R330-Y410 HydrophobicContact CG-CD1 4.46Å; R330-Y410 HydrophobicContact CG-CE1 4.3Å
331Y91.5Very high93.4Very high34 Ų3452.9 Ų52.913%0.13325%0.252CS..Hα-helixtrans-62.8-39.4174.8-171.8-92.5000111.8I327 E329 K335 L349 F353 A360I327-Y331 WeakPolarHBondContact O-CB 3.22Å; I327-Y331 PolarHBondContact O-N 2.7Å; E329-Y331 VanDerWaalsContact C-N 3.3Å; E329-Y331 PolarHBondContact O-N 2.89Å; Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.37Å; Y331-K335 PolarHBondContact O-N 2.57Å; Y331-L349 HydrophobicContact CD2-CD2 4.46Å; Y331-L349 HydrophobicContact CD2-CG 4.28Å; Y331-F353 AromaticContact CD2-CD2 3.48Å; Y331-F353 HydrophobicContact CD2-CD2 3.48Å; Y331-F353 VanDerWaalsContact CD2-CD2 3.48Å; Y331-F353 AromaticContact CD2-CE2 3.84Å; Y331-F353 HydrophobicContact CD2-CE2 3.84Å; Y331-F353 AromaticContact CD2-CG 3.98Å; Y331-F353 HydrophobicContact CD2-CG 3.98Å; Y331-F353 HydrophobicContact CE2-CB 3.78Å; Y331-F353 AromaticContact CE2-CD2 3.62Å; Y331-F353 HydrophobicContact CE2-CD2 3.62Å; Y331-F353 HydrophobicContact CE2-CE2 4.42Å; Y331-F353 AromaticContact CE2-CG 3.75Å; Y331-F353 HydrophobicContact CE2-CG 3.75Å; Y331-A360 HydrophobicContact CD1-CB 3.43Å; Y331-A360 VanDerWaalsContact CD1-CB 3.43Å; Y331-A360 HydrophobicContact CD2-CB 3.57Å; Y331-A360 HydrophobicContact CE1-CB 3.9Å; Y331-A360 HydrophobicContact CE2-CB 4.03Å; Y331-A360 HydrophobicContact CG-CB 3.22Å
332K91.3Very high93Very high143 Ų14351.6 Ų51.662%0.62225%0.246SC*.Hα-helixtrans-67.6-39178.1-71.8171-174.9173.60112.9Q328 E329 R330Q328-K332 WeakPolarHBondContact O-CG 3.27Å; Q328-K332 PolarHBondContact O-N 3.5Å; E329-K332 PolarHBondContact O-N 3.48Å; E329-K332 VanDerWaalsContact O-N 3.09Å; R330-K332 VanDerWaalsContact C-N 3.31Å; R330-K332 PolarHBondContact O-N 2.95Å
333T93.1Very high92.3Very high89 Ų8957.7 Ų57.755%0.54628%0.28SS..Hα-helixtrans-90.8-35.8-175.166.30000113.5E329 R330E329-T333 PolarHBondContact O-N 3.13Å; E329-T333 PolarHBondContact O-OG1 3.31Å; R330-T333 PolarHBondContact NH1-OG1 3.25Å; R330-T333 VanDerWaalsContact NH1-OG1 3.17Å; R330-T333 PolarHBondContact O-N 3.14Å
334D92.8Very high91.7Very high31 Ų3160.6 Ų60.617%0.16631%0.31CS..Hα-helixtrans-119.921.5-164-52.7-12.5000112.1R330 D336 R337 Y410R330-D334 WeakPolarHBondContact CD-OD2 3.46Å; R330-D334 IonicContact NH1-OD1 3.78Å; R330-D334 IonicContact NH1-OD2 3.09Å; R330-D334 PolarHBondContact NH1-OD2 3.26Å; R330-D334 VanDerWaalsContact NH1-OD2 3.09Å; R330-D334 WeakPolarHBondContact O-CA 3.24Å; R330-D334 WeakPolarHBondContact O-CB 3.4Å; R330-D334 PolarHBondContact O-N 3.26Å; D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 2.82Å; D334-D336 VanDerWaalsContact O-N 3.15Å; D334-R337 HydrophobicContact CB-CB 4.23Å; D334-R337 WeakPolarHBondContact O-CB 3.32Å; D334-R337 PolarHBondContact O-N 3.48Å; D334-Y410 WeakPolarHBondContact CB-OH 3.49Å; D334-Y410 PolarHBondContact OD2-OH 3.12Å
335K91.3Very high91.4Very high90 Ų9067 Ų6739%0.39134%0.34SS..THydrogen-bonded Turntrans-51.8-38.2-176.562.9-179.3-170.2174.60114.9Y331 R337 L349 Q350Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.37Å; Y331-K335 PolarHBondContact O-N 2.57Å; K335-R337 VanDerWaalsContact C-N 3.32Å; K335-L349 PolarHBondContact O-N 3Å; K335-Q350 HydrophobicContact CB-CB 4.34Å; K335-Q350 WeakPolarHBondContact O-CB 3.44Å; K335-Q350 PolarHBondContact O-N 2.92Å
336D94Very high91.4Very high106 Ų10669.9 Ų69.957%0.56735%0.351SS*.THydrogen-bonded Turntrans-89.2-3.1-174.4-58.9-50.2000112D334 T348D334-D336 VanDerWaalsContact C-N 3.26Å; D334-D336 PolarHBondContact O-N 2.82Å; D334-D336 VanDerWaalsContact O-N 3.15Å; D336-T348 WeakPolarHBondContact O-CG2 3.44Å
337R95.1Very high91.3Very high79 Ų7971.3 Ų71.330%0.29836%0.358SS..SBendtrans-72.4135.2179.5-170.2175-178.2173.41.9109.8D334 K335 V339 T348 L349 E409D334-R337 HydrophobicContact CB-CB 4.23Å; D334-R337 WeakPolarHBondContact O-CB 3.32Å; D334-R337 PolarHBondContact O-N 3.48Å; K335-R337 VanDerWaalsContact C-N 3.32Å; R337-V339 HydrophobicContact CB-CG1 4.49Å; R337-V339 WeakPolarHBondContact O-CG1 3.5Å; R337-T348 CarbonylContact O-C 3.47Å; R337-T348 WeakPolarHBondContact O-CA 3.21Å; R337-L349 PolarHBondContact O-N 3.19Å; R337-E409 IonicContact CZ-OE1 2.95Å; R337-E409 IonicContact CZ-OE2 3.03Å; R337-E409 IonicContact NH1-OE1 3.55Å; R337-E409 PolarHBondContact NH1-OE1 2.82Å; R337-E409 IonicContact NH1-OE2 3.85Å; R337-E409 PolarHBondContact NH1-OE2 3.23Å; R337-E409 IonicContact NH2-OE1 3.91Å; R337-E409 IonicContact NH2-OE2 2.85Å; R337-E409 PolarHBondContact NH2-OE2 2.73Å
338V94.5Very high91.3Very high38 Ų3872.4 Ų72.423%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-70.8125.9169.9-176.40000108.9E346 M347 T348 Y405 L406V338-E346 HydrophobicContact CG1-CB 3.69Å; V338-E346 HydrophobicContact CG1-CG 4.06Å; V338-M347 WeakPolarHBondContact CA-O 3.22Å; V338-T348 HydrophobicContact CG2-CG2 4.4Å; V338-Y405 HydrophobicContact CB-CE1 3.93Å; V338-Y405 HydrophobicContact CG1-CD1 4.23Å; V338-Y405 HydrophobicContact CG1-CE1 3.5Å; V338-Y405 HydrophobicContact CG1-CE2 4.29Å; V338-L406 WeakPolarHBondContact O-CD2 3.19Å
339V93.7Very high91.3Very high1 Ų170.5 Ų70.51%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-127.3-15.7-172.8-58.50000113.9R337 M347 L349 V352 I398 L406 Y410R337-V339 HydrophobicContact CB-CG1 4.49Å; R337-V339 WeakPolarHBondContact O-CG1 3.5Å; V339-M347 PolarHBondContact N-O 3.09Å; V339-L349 HydrophobicContact CG1-CB 3.9Å; V339-L349 HydrophobicContact CG1-CD1 4.32Å; V339-L349 HydrophobicContact CG2-CB 4.19Å; V339-L349 HydrophobicContact CG2-CD1 4.1Å; V339-V352 HydrophobicContact CG2-CG2 3.95Å; V339-I398 HydrophobicContact CB-CD1 4.37Å; V339-I398 HydrophobicContact CB-CG1 4.35Å; V339-I398 HydrophobicContact CB-CG2 4.24Å; V339-I398 HydrophobicContact CG2-CD1 3.68Å; V339-I398 HydrophobicContact CG2-CG1 4.17Å; V339-L406 HydrophobicContact CB-CD1 4.24Å; V339-L406 HydrophobicContact CG1-CD1 3.97Å; V339-Y410 HydrophobicContact CG1-CE2 4.23Å
340L91.7Very high91.3Very high8 Ų869 Ų694%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-147144.6-175.1-171.572.7000109.1M347 V352 E394 I398L340-M347 HydrophobicContact CB-CB 4.49Å; L340-M347 PolarHBondContact N-O 3.07Å; L340-M347 PolarHBondContact O-N 3.35Å; L340-V352 HydrophobicContact CB-CG2 4.18Å; L340-V352 HydrophobicContact CD2-CG2 4.24Å; L340-E394 HydrophobicContact CD2-CB 4.22Å; L340-E394 HydrophobicContact CD2-CG 3.85Å; L340-I398 HydrophobicContact CB-CD1 4.38Å
341E90.3Very high91.2Very high113 Ų11371.2 Ų71.253%0.52836%0.36SS..EExtended strand (participates in β ladder)trans-115.2121.4166.4-172.8-175.115600107.9Q345 Y405E341-Q345 WeakPolarHBondContact CA-O 3.45Å; E341-Y405 HydrophobicContact CB-CD2 3.99Å; E341-Y405 HydrophobicContact CB-CE2 4.28Å
342K83.7Confident91.2Very high92 Ų9269.6 Ų69.640%0.435%0.354SS..EExtended strand (participates in β ladder)trans-128.4124.3179.6-167.1170.4-176.21710108.8G344 Q345 M347 E394K342-G344 PolarHBondContact O-N 2.97Å; K342-Q345 PolarHBondContact N-O 3.48Å; K342-Q345 PolarHBondContact O-N 2.85Å; K342-M347 HydrophobicContact CB-SD 4.2Å; K342-E394 IonicContact NZ-OE1 3.82Å; K342-E394 PolarHBondContact NZ-OE1 3.47Å
343D81.3Confident91.2Very high166 Ų16662.8 Ų62.889%0.88833%0.325SS*.THydrogen-bonded Turntrans53.734.4-178.3-57-47.7000114.2Q345D343-Q345 VanDerWaalsContact C-N 3.26Å; D343-Q345 PolarHBondContact O-N 3.49Å
344G83.2Confident91Very high62 Ų6263.9 Ų63.964%0.63932%0.323SS*.THydrogen-bonded Turntrans77.46.3-177.800000114.6K342K342-G344 PolarHBondContact O-N 2.97Å
345Q88.1Confident90.8Very high137 Ų13765.7 Ų65.764%0.6434%0.339SS*.EExtended strand (participates in β ladder)trans-105.7125174.2-171.7171.84.400110.7E341 K342 D343E341-Q345 WeakPolarHBondContact CA-O 3.45Å; K342-Q345 PolarHBondContact N-O 3.48Å; K342-Q345 PolarHBondContact O-N 2.85Å; D343-Q345 VanDerWaalsContact C-N 3.26Å; D343-Q345 PolarHBondContact O-N 3.49Å
346E93.3Very high90.6Very high106 Ų10663.8 Ų63.850%0.49533%0.332SS..EExtended strand (participates in β ladder)trans-71.2129.1172.5-71.2-171.7153.200110.7V338 Y405V338-E346 HydrophobicContact CG1-CB 3.69Å; V338-E346 HydrophobicContact CG1-CG 4.06Å; E346-Y405 HydrophobicContact CG-CE2 4.46Å; E346-Y405 PolarHBondContact OE1-OH 2.96Å
347M93.9Very high90.1Very high32 Ų3264.1 Ų64.116%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-115.6130.6178.5-63.5-173.270.900111.1V338 V339 L340 K342 Q351 V352V338-M347 WeakPolarHBondContact CA-O 3.22Å; V339-M347 PolarHBondContact N-O 3.09Å; L340-M347 HydrophobicContact CB-CB 4.49Å; L340-M347 PolarHBondContact N-O 3.07Å; L340-M347 PolarHBondContact O-N 3.35Å; K342-M347 HydrophobicContact CB-SD 4.2Å; M347-Q351 HydrophobicContact CB-CB 4.45Å; M347-Q351 HydrophobicContact CE-CB 4.17Å; M347-V352 HydrophobicContact CB-CG2 3.99Å; M347-V352 HydrophobicContact CE-CG2 4.37Å
348T94.7Very high89.4Confident23 Ų2362.6 Ų62.614%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-74.1159.7170.371.50000111.6D336 R337 V338 Q350 Q351 V352D336-T348 WeakPolarHBondContact O-CG2 3.44Å; R337-T348 CarbonylContact O-C 3.47Å; R337-T348 WeakPolarHBondContact O-CA 3.21Å; V338-T348 HydrophobicContact CG2-CG2 4.4Å; T348-Q350 PolarHBondContact O-N 3.22Å; T348-Q351 WeakPolarHBondContact O-CB 3.48Å; T348-Q351 PolarHBondContact O-N 3.22Å; T348-Q351 WeakPolarHBondContact OG1-CG 3.23Å; T348-Q351 PolarHBondContact OG1-N 3.45Å; T348-V352 WeakPolarHBondContact O-CG2 3.47Å; T348-V352 PolarHBondContact O-N 3.41Å
349L93Very high88.8Confident0 Ų064.4 Ų64.40%035%0.348CS..Hα-helixtrans-54.5-42175.3-172.761000111.1Y331 K335 R337 V339 Q351 V352 F353 F399Y331-L349 HydrophobicContact CD2-CD2 4.46Å; Y331-L349 HydrophobicContact CD2-CG 4.28Å; K335-L349 PolarHBondContact O-N 3Å; R337-L349 PolarHBondContact O-N 3.19Å; V339-L349 HydrophobicContact CG1-CB 3.9Å; V339-L349 HydrophobicContact CG1-CD1 4.32Å; V339-L349 HydrophobicContact CG2-CB 4.19Å; V339-L349 HydrophobicContact CG2-CD1 4.1Å; L349-Q351 PolarHBondContact O-N 3.28Å; L349-V352 PolarHBondContact O-N 3.13Å; L349-F353 HydrophobicContact CD1-CD2 4.1Å; L349-F353 HydrophobicContact CD1-CE2 3.82Å; L349-F353 HydrophobicContact CG-CD2 4.2Å; L349-F353 HydrophobicContact CG-CE2 4.2Å; L349-F353 WeakPolarHBondContact O-CD2 3.44Å; L349-F353 PolarHBondContact O-N 2.76Å; L349-F353 VanDerWaalsContact O-N 3.13Å; L349-F399 HydrophobicContact CD1-CE2 4.46Å; L349-F399 HydrophobicContact CD1-CZ 4.15Å
350Q92.7Very high88.1Confident60 Ų6064.5 Ų64.528%0.2835%0.349SS..Hα-helixtrans-59.8-45.1174.6-172.217825.200112.6K335 T348 V352 F353 H354K335-Q350 HydrophobicContact CB-CB 4.34Å; K335-Q350 WeakPolarHBondContact O-CB 3.44Å; K335-Q350 PolarHBondContact O-N 2.92Å; T348-Q350 PolarHBondContact O-N 3.22Å; Q350-V352 VanDerWaalsContact C-N 3.33Å; Q350-V352 PolarHBondContact O-N 3.05Å; Q350-F353 PolarHBondContact O-N 3.07Å; Q350-H354 PolarHBondContact NE2-CE1 2.83Å; Q350-H354 VanDerWaalsContact O-CG 3.3Å; Q350-H354 PolarHBondContact O-N 3.48Å
351Q92.3Very high87.4Confident85 Ų8572.3 Ų72.340%0.39738%0.379SS..Hα-helixtrans-65-36.6179.1-72.4169.1-1900112.1M347 T348 L349 H354 S355M347-Q351 HydrophobicContact CB-CB 4.45Å; M347-Q351 HydrophobicContact CE-CB 4.17Å; T348-Q351 WeakPolarHBondContact O-CB 3.48Å; T348-Q351 PolarHBondContact O-N 3.22Å; T348-Q351 WeakPolarHBondContact OG1-CG 3.23Å; T348-Q351 PolarHBondContact OG1-N 3.45Å; L349-Q351 PolarHBondContact O-N 3.28Å; Q351-H354 PolarHBondContact O-N 2.7Å; Q351-S355 WeakPolarHBondContact O-CB 3.42Å; Q351-S355 PolarHBondContact O-N 3.04Å
352V91.5Very high87.1Confident1 Ų172.3 Ų72.31%0.00638%0.383CS..Hα-helixtrans-61-50174.1174.50000110.3V339 L340 M347 T348 L349 Q350 H354 S355 L356 L395 I398V339-V352 HydrophobicContact CG2-CG2 3.95Å; L340-V352 HydrophobicContact CB-CG2 4.18Å; L340-V352 HydrophobicContact CD2-CG2 4.24Å; M347-V352 HydrophobicContact CB-CG2 3.99Å; M347-V352 HydrophobicContact CE-CG2 4.37Å; T348-V352 WeakPolarHBondContact O-CG2 3.47Å; T348-V352 PolarHBondContact O-N 3.41Å; L349-V352 PolarHBondContact O-N 3.13Å; Q350-V352 VanDerWaalsContact C-N 3.33Å; Q350-V352 PolarHBondContact O-N 3.05Å; V352-H354 PolarHBondContact O-N 2.71Å; V352-S355 PolarHBondContact O-N 3.5Å; V352-S355 VanDerWaalsContact O-N 3.14Å; V352-S355 PolarHBondContact O-OG 2.84Å; V352-L356 HydrophobicContact CG1-CD1 4.27Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 2.91Å; V352-L356 VanDerWaalsContact O-N 3.1Å; V352-L395 HydrophobicContact CG1-CD2 4.29Å; V352-I398 HydrophobicContact CG1-CD1 4.03Å; V352-I398 HydrophobicContact CG2-CD1 4.25Å
353F90.9Very high87.2Confident0 Ų068.3 Ų68.30%037%0.366CS..Hα-helixtrans-62.1-41.2177.4-87.5-82000113.1I327 Y331 L349 Q350 S355 L356 S357 M358 A360 L363 L395I327-F353 HydrophobicContact CG2-CE2 4.44Å; I327-F353 HydrophobicContact CG2-CZ 3.68Å; Y331-F353 AromaticContact CD2-CD2 3.48Å; Y331-F353 HydrophobicContact CD2-CD2 3.48Å; Y331-F353 VanDerWaalsContact CD2-CD2 3.48Å; Y331-F353 AromaticContact CD2-CE2 3.84Å; Y331-F353 HydrophobicContact CD2-CE2 3.84Å; Y331-F353 AromaticContact CD2-CG 3.98Å; Y331-F353 HydrophobicContact CD2-CG 3.98Å; Y331-F353 HydrophobicContact CE2-CB 3.78Å; Y331-F353 AromaticContact CE2-CD2 3.62Å; Y331-F353 HydrophobicContact CE2-CD2 3.62Å; Y331-F353 HydrophobicContact CE2-CE2 4.42Å; Y331-F353 AromaticContact CE2-CG 3.75Å; Y331-F353 HydrophobicContact CE2-CG 3.75Å; L349-F353 HydrophobicContact CD1-CD2 4.1Å; L349-F353 HydrophobicContact CD1-CE2 3.82Å; L349-F353 HydrophobicContact CG-CD2 4.2Å; L349-F353 HydrophobicContact CG-CE2 4.2Å; L349-F353 WeakPolarHBondContact O-CD2 3.44Å; L349-F353 PolarHBondContact O-N 2.76Å; L349-F353 VanDerWaalsContact O-N 3.13Å; Q350-F353 PolarHBondContact O-N 3.07Å; F353-S355 VanDerWaalsContact C-N 3.33Å; F353-S355 PolarHBondContact O-N 2.85Å; F353-L356 PolarHBondContact O-N 3.46Å; F353-S357 PolarHBondContact O-N 3.12Å; F353-M358 CarbonylContact C-O 3.54Å; F353-M358 HydrophobicContact CD1-CB 4.2Å; F353-M358 PolarHBondContact O-N 3.11Å; F353-A360 HydrophobicContact CD1-CB 4.24Å; F353-A360 HydrophobicContact CE1-CB 4.1Å; F353-A360 HydrophobicContact CZ-CB 4.33Å; F353-L363 HydrophobicContact CE1-CD1 3.91Å; F353-L363 HydrophobicContact CZ-CD1 4.31Å; F353-L395 HydrophobicContact CE2-CD2 4.3Å; F353-L395 HydrophobicContact CZ-CD2 4.15Å
354H90Very high87.6Confident111 Ų11163.8 Ų63.851%0.51434%0.344SS..Hα-helixtrans-62.1-39.2173.5-70178.4000112.2Q350 Q351 V352 L356 S357Q350-H354 PolarHBondContact NE2-CE1 2.83Å; Q350-H354 VanDerWaalsContact O-CG 3.3Å; Q350-H354 PolarHBondContact O-N 3.48Å; Q351-H354 PolarHBondContact O-N 2.7Å; V352-H354 PolarHBondContact O-N 2.71Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact O-N 3.36Å; H354-S357 PolarHBondContact O-N 3.22Å
355S88.3Confident87.6Confident70 Ų7062.3 Ų62.349%0.4932%0.323SS..Hα-helixtrans-65.9-32.1178.7770000112.9Q351 V352 F353 S357Q351-S355 WeakPolarHBondContact O-CB 3.42Å; Q351-S355 PolarHBondContact O-N 3.04Å; V352-S355 PolarHBondContact O-N 3.5Å; V352-S355 VanDerWaalsContact O-N 3.14Å; V352-S355 PolarHBondContact O-OG 2.84Å; F353-S355 VanDerWaalsContact C-N 3.33Å; F353-S355 PolarHBondContact O-N 2.85Å; S355-S357 PolarHBondContact O-N 3.31Å
356L86.4Confident87.4Confident49 Ų4962.6 Ų62.626%0.25733%0.329SS..THydrogen-bonded Turntrans-79.1-1.9174.1-63.3173.6000112.4V352 F353 H354 M358 A392 L395V352-L356 HydrophobicContact CG1-CD1 4.27Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 2.91Å; V352-L356 VanDerWaalsContact O-N 3.1Å; F353-L356 PolarHBondContact O-N 3.46Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact O-N 3.36Å; L356-M358 HydrophobicContact CB-CB 4.43Å; L356-M358 HydrophobicContact CB-CG 4.06Å; L356-M358 HydrophobicContact CB-SD 4.41Å; L356-M358 WeakPolarHBondContact O-CG 3.47Å; L356-A392 HydrophobicContact CD1-CB 3.96Å; L356-A392 HydrophobicContact CD2-CB 4Å; L356-L395 HydrophobicContact CD1-CD1 4.05Å; L356-L395 HydrophobicContact CD1-CD2 4.18Å; L356-L395 HydrophobicContact CD1-CG 3.94Å
357S84.6Confident87Confident114 Ų11459.1 Ų59.180%0.79732%0.316SS*.THydrogen-bonded Turntrans57.844.2-174.1-56.40000112.8F353 H354 S355F353-S357 PolarHBondContact O-N 3.12Å; H354-S357 PolarHBondContact O-N 3.22Å; S355-S357 PolarHBondContact O-N 3.31Å
358M80.4Confident86.5Confident46 Ų4657.6 Ų57.623%0.22731%0.309CS..  trans-131.6144-173.1-67.5-161.776.300113F353 L356 L363 M390F353-M358 CarbonylContact C-O 3.54Å; F353-M358 HydrophobicContact CD1-CB 4.2Å; F353-M358 PolarHBondContact O-N 3.11Å; L356-M358 HydrophobicContact CB-CB 4.43Å; L356-M358 HydrophobicContact CB-CG 4.06Å; L356-M358 HydrophobicContact CB-SD 4.41Å; L356-M358 WeakPolarHBondContact O-CG 3.47Å; M358-L363 HydrophobicContact CE-CD2 3.37Å; M358-M390 HydrophobicContact CE-CE 3.05Å; M358-M390 HydrophobicContact CE-CG 4.11Å; M358-M390 HydrophobicContact CE-SD 3.52Å; M358-M390 VanDerWaalsContact CE-SD 3.52Å; M358-M390 HydrophobicContact SD-CB 4.19Å; M358-M390 HydrophobicContact SD-CE 3.57Å; M358-M390 VanDerWaalsContact SD-CE 3.57Å; M358-M390 HydrophobicContact SD-CG 3.92Å; M358-M390 HydrophobicContact SD-SD 4.12Å
359D80.5Confident86Confident77 Ų7760.3 Ų60.341%0.41232%0.322SS..  trans-101.1130.7164.8-165.4-26.3000109.5Y361 D362D359-Y361 PolarHBondContact O-N 3.49Å; D359-Y361 PolarHBondContact OD1-N 3.49Å; D359-D362 PolarHBondContact O-N 3.41Å
360A79Confident85.6Confident2 Ų260.3 Ų60.32%0.01732%0.322CS..SBendtrans-65.9-27.6177.400000112.6Y331 F353 D362 L363Y331-A360 HydrophobicContact CD1-CB 3.43Å; Y331-A360 VanDerWaalsContact CD1-CB 3.43Å; Y331-A360 HydrophobicContact CD2-CB 3.57Å; Y331-A360 HydrophobicContact CE1-CB 3.9Å; Y331-A360 HydrophobicContact CE2-CB 4.03Å; Y331-A360 HydrophobicContact CG-CB 3.22Å; F353-A360 HydrophobicContact CD1-CB 4.24Å; F353-A360 HydrophobicContact CE1-CB 4.1Å; F353-A360 HydrophobicContact CZ-CB 4.33Å; A360-D362 VanDerWaalsContact C-N 3.33Å; A360-L363 HydrophobicContact CB-CD1 4.2Å; A360-L363 WeakPolarHBondContact O-CB 3.42Å; A360-L363 WeakPolarHBondContact O-CG 3.33Å; A360-L363 PolarHBondContact O-N 3.36Å
361Y78.5Confident85.2Confident172 Ų17259.3 Ų59.368%0.67532%0.317SS*.THydrogen-bonded Turntrans-65.5-37.8178.1-178.3-96.5000112.1D359 L363D359-Y361 PolarHBondContact O-N 3.49Å; D359-Y361 PolarHBondContact OD1-N 3.49Å; Y361-L363 PolarHBondContact O-N 2.82Å
362D83.4Confident84.7Confident113 Ų11355.3 Ų55.360%0.60430%0.299SS*.THydrogen-bonded Turntrans-83-0.1-177.7-66.1-29.1000113.2D359 A360 T364D359-D362 PolarHBondContact O-N 3.41Å; A360-D362 VanDerWaalsContact C-N 3.33Å; D362-T364 PolarHBondContact O-N 2.74Å
363L86.4Confident83.9Confident8 Ų856.3 Ų56.34%0.04231%0.31CS..  trans-63.3132.3177-65.4174.1000111.1L324 I327 Q328 F353 M358 A360 Y361 M390L324-L363 HydrophobicContact CD1-CB 3.5Å; L324-L363 HydrophobicContact CD1-CD1 4.48Å; I327-L363 HydrophobicContact CG2-CD1 3.85Å; Q328-L363 PolarHBondContact NE2-O 3.46Å; F353-L363 HydrophobicContact CE1-CD1 3.91Å; F353-L363 HydrophobicContact CZ-CD1 4.31Å; M358-L363 HydrophobicContact CE-CD2 3.37Å; A360-L363 HydrophobicContact CB-CD1 4.2Å; A360-L363 WeakPolarHBondContact O-CB 3.42Å; A360-L363 WeakPolarHBondContact O-CG 3.33Å; A360-L363 PolarHBondContact O-N 3.36Å; Y361-L363 PolarHBondContact O-N 2.82Å; L363-M390 HydrophobicContact CD2-CG 4.41Å; L363-M390 HydrophobicContact CD2-SD 3.6Å
364T87.6Confident82.9Confident71 Ų7167.9 Ų67.944%0.43635%0.353SS..  trans-119.3171.5173.262.10000109.8D362 D366 S367 L368D362-T364 PolarHBondContact O-N 2.74Å; T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.28Å; T364-S367 PolarHBondContact N-OG 3.44Å; T364-S367 PolarHBondContact O-N 2.69Å; T364-S367 PolarHBondContact O-OG 2.93Å; T364-S367 PolarHBondContact OG1-N 2.9Å; T364-S367 VanDerWaalsContact OG1-N 3.13Å; T364-S367 PolarHBondContact OG1-OG 3.46Å; T364-L368 PolarHBondContact O-N 3.39Å
365V84.4Confident82.3Confident32 Ų3266.8 Ų66.819%0.19435%0.349CS..Hα-helixtrans-63-40.4175.2174.20000110.3Q320 K321 L324 L368Q320-V365 HydrophobicContact CB-CG1 4.24Å; Q320-V365 HydrophobicContact CG-CG1 3.57Å; K321-V365 HydrophobicContact CB-CG2 4.47Å; K321-V365 HydrophobicContact CD-CG2 4Å; L324-V365 HydrophobicContact CD2-CG2 3.67Å; V365-L368 WeakPolarHBondContact O-CB 3.31Å; V365-L368 PolarHBondContact O-N 3.05Å
366D83.2Confident81.4Confident142 Ų14263.5 Ų63.576%0.75933%0.325SS*.Hα-helixtrans-68.1-36.9178.9-62.3-29.9000112.1T364 L368 D369T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.28Å; D366-L368 VanDerWaalsContact C-N 3.28Å; D366-L368 PolarHBondContact O-N 2.94Å; D366-D369 PolarHBondContact O-N 3.23Å; D366-D369 VanDerWaalsContact O-N 3.15Å
367S85.1Confident80.6Confident34 Ų3464.9 Ų64.924%0.23833%0.329CS..Hα-helixtrans-63.2-37.5177.870.70000111.4T364 D369 M390T364-S367 PolarHBondContact N-OG 3.44Å; T364-S367 PolarHBondContact O-N 2.69Å; T364-S367 PolarHBondContact O-OG 2.93Å; T364-S367 PolarHBondContact OG1-N 2.9Å; T364-S367 VanDerWaalsContact OG1-N 3.13Å; T364-S367 PolarHBondContact OG1-OG 3.46Å; S367-D369 PolarHBondContact O-N 3.45Å; S367-M390 WeakPolarHBondContact O-CE 3.39Å
368L84.2Confident80.1Confident0 Ų064.6 Ų64.60%032%0.315CS..Hα-helixtrans-56.2-26.3177.6-72.5-177.9000113L324 I327 T364 V365 D366 V370 P389 M390L324-L368 HydrophobicContact CB-CD1 3.62Å; L324-L368 HydrophobicContact CD1-CD1 4.12Å; L324-L368 HydrophobicContact CD1-CD2 4.42Å; L324-L368 HydrophobicContact CD1-CG 4.15Å; L324-L368 HydrophobicContact CG-CD1 4.41Å; I327-L368 HydrophobicContact CD1-CD2 4.11Å; T364-L368 PolarHBondContact O-N 3.39Å; V365-L368 WeakPolarHBondContact O-CB 3.31Å; V365-L368 PolarHBondContact O-N 3.05Å; D366-L368 VanDerWaalsContact C-N 3.28Å; D366-L368 PolarHBondContact O-N 2.94Å; L368-V370 HydrophobicContact CB-CG1 4.23Å; L368-V370 HydrophobicContact CB-CG2 4.07Å; L368-V370 WeakPolarHBondContact O-CG1 3.43Å; L368-V370 PolarHBondContact O-N 3.36Å; L368-P389 HydrophobicContact CD2-CB 4.29Å; L368-M390 HydrophobicContact CD2-CG 4.4Å; L368-M390 HydrophobicContact CD2-SD 4.27Å; L368-M390 PolarHBondContact O-N 3.42Å
369D84.7Confident79.7Confident80 Ų8067.8 Ų67.843%0.42833%0.325SS..  trans5133.1177.1-165.639.6000113.8D366 S367 K386D366-D369 PolarHBondContact O-N 3.23Å; D366-D369 VanDerWaalsContact O-N 3.15Å; S367-D369 PolarHBondContact O-N 3.45Å; D369-K386 WeakPolarHBondContact O-CD 3.28Å; D369-K386 PolarHBondContact O-NZ 2.76Å; D369-K386 IonicContact OD1-NZ 3.44Å; D369-K386 PolarHBondContact OD1-NZ 3.42Å; D369-K386 IonicContact OD2-NZ 2.65Å; D369-K386 PolarHBondContact OD2-NZ 3.11Å
370V83.6Confident79.3Confident0 Ų064.9 Ų64.90%031%0.309CS..  trans-93.1-14.7179.3-65.10000113Q320 L368 P389 M660 Q661Q320-V370 HydrophobicContact CB-CG2 3.61Å; L368-V370 HydrophobicContact CB-CG1 4.23Å; L368-V370 HydrophobicContact CB-CG2 4.07Å; L368-V370 WeakPolarHBondContact O-CG1 3.43Å; L368-V370 PolarHBondContact O-N 3.36Å; V370-P389 HydrophobicContact CG1-CB 4.28Å; V370-P389 HydrophobicContact CG1-CG 4.42Å; V370-M660 HydrophobicContact CB-CE 4.24Å; V370-M660 HydrophobicContact CB-CG 4.13Å; V370-M660 HydrophobicContact CB-SD 4.31Å; V370-M660 HydrophobicContact CG1-CE 4.3Å; V370-M660 HydrophobicContact CG1-SD 4.31Å; V370-M660 HydrophobicContact CG2-CG 3.98Å; V370-Q661 WeakPolarHBondContact O-CG 3.16Å
371H85.1Confident79Confident38 Ų3869.1 Ų69.118%0.17633%0.331CS..SBendtrans-75.2137.1178.9-156.969.5000111.8K386 Q661 Y664H371-K386 WeakPolarHBondContact O-CE 3.22Å; H371-Q661 PolarHBondContact CE1-O 3.17Å; H371-Q661 PolarHBondContact ND1-O 2.92Å; H371-Y664 PolarHBondContact CD2-OH 2.94Å; H371-Y664 VanDerWaalsContact CD2-OH 3.29Å; H371-Y664 AromaticContact CE1-CE1 3.97Å; H371-Y664 AromaticContact CE1-CE2 3.51Å; H371-Y664 AromaticContact CE1-CZ 3.36Å; H371-Y664 PolarHBondContact CE1-OH 3.39Å; H371-Y664 AromaticContact NE2-CE2 3.57Å; H371-Y664 AromaticContact NE2-CZ 3.25Å; H371-Y664 VanDerWaalsContact NE2-CZ 3.25Å; H371-Y664 PolarHBondContact NE2-OH 2.98Å
372A80.7Confident78.8Confident2 Ų264.5 Ų64.52%0.01731%0.314CS..  trans-85.5116.3173.100000110T376 Q661 F662A372-T376 HydrophobicContact CB-CG2 4.11Å; A372-Q661 HydrophobicContact CB-CB 4.27Å; A372-Q661 PolarHBondContact N-O 3.21Å; A372-F662 HydrophobicContact CB-CD1 3.77Å; A372-F662 HydrophobicContact CB-CE1 3.38Å; A372-F662 HydrophobicContact CB-CZ 4.34Å
373G74.4Confident78.5Confident22 Ų2260 Ų6023%0.22729%0.289CS..  trans-114-166179.200000113.1Q375 T376G373-Q375 PolarHBondContact O-N 3.25Å; G373-T376 PolarHBondContact O-N 3.33Å; G373-T376 PolarHBondContact O-OG1 3.2Å
374R71.5Confident78.2Confident243 Ų24363 Ų6392%0.91731%0.306SS*.G310 helixtrans-52.1-28.9179.5-65.8-178.5-179177.6-0.6114T376 F377R374-T376 VanDerWaalsContact C-N 3.28Å; R374-T376 PolarHBondContact O-N 3.49Å; R374-F377 WeakPolarHBondContact O-CB 3.41Å; R374-F377 PolarHBondContact O-N 3.36Å
375Q75.4Confident77.8Confident88 Ų8862 Ų6241%0.41130%0.302SS..G310 helixtrans-70.4-15.8-179.769.4-78.97.900114.8G373 K382G373-Q375 PolarHBondContact O-N 3.25Å; Q375-K382 WeakPolarHBondContact O-CD 3.28Å
376T69.7Low77.8Confident0 Ų060.9 Ų60.90%029%0.294CS..G310 helixtrans-91.7-9.7178.556.40000113.1A372 G373 R374 H378 R379 K382 K386 S632A372-T376 HydrophobicContact CB-CG2 4.11Å; G373-T376 PolarHBondContact O-N 3.33Å; G373-T376 PolarHBondContact O-OG1 3.2Å; R374-T376 VanDerWaalsContact C-N 3.28Å; R374-T376 PolarHBondContact O-N 3.49Å; T376-H378 PolarHBondContact O-N 2.97Å; T376-R379 PolarHBondContact O-N 3.38Å; T376-K382 HydrophobicContact CG2-CB 4.35Å; T376-K386 HydrophobicContact CG2-CG 4.4Å; T376-S632 PolarHBondContact OG1-O 2.91Å
377F71.3Confident77.6Confident78 Ų7855 Ų5534%0.34226%0.262SS..THydrogen-bonded Turntrans-59.2121.8179.6-160.2-99.1000110.4R374 R379 S632 F634R374-F377 WeakPolarHBondContact O-CB 3.41Å; R374-F377 PolarHBondContact O-N 3.36Å; F377-R379 PolarHBondContact O-N 3.43Å; F377-R379 VanDerWaalsContact O-N 3.1Å; F377-S632 WeakPolarHBondContact CA-O 3.32Å; F377-S632 PolarHBondContact N-O 2.92Å; F377-F634 WeakPolarHBondContact CZ-O 3.48Å
378H72.2Confident77.5Confident109 Ų10955 Ų5551%0.50526%0.259SS..THydrogen-bonded Turntrans55.915.3-171.5-60.2-47.1000115.8T376 L633 F634T376-H378 PolarHBondContact O-N 2.97Å; H378-L633 PolarHBondContact N-O 2.91Å; H378-F634 PolarHBondContact CE1-O 3.26Å; H378-F634 VanDerWaalsContact CE1-O 3.23Å
379R72.3Confident77.3Confident112 Ų11255 Ų5542%0.42326%0.259SS..  trans-12275.7-175.9-70.9-64.3-59.3-98.31111.4T376 F377 D381 K382 F383T376-R379 PolarHBondContact O-N 3.38Å; F377-R379 PolarHBondContact O-N 3.43Å; F377-R379 VanDerWaalsContact O-N 3.1Å; R379-D381 IonicContact CZ-OD1 4Å; R379-D381 IonicContact CZ-OD2 2.81Å; R379-D381 IonicContact NE-OD1 3.24Å; R379-D381 PolarHBondContact NE-OD1 2.94Å; R379-D381 IonicContact NE-OD2 2.63Å; R379-D381 IonicContact NH2-OD1 3.88Å; R379-D381 PolarHBondContact NH2-OD1 3.36Å; R379-D381 IonicContact NH2-OD2 2.79Å; R379-D381 PolarHBondContact NH2-OD2 2.84Å; R379-D381 PolarHBondContact O-N 3.28Å; R379-K382 HydrophobicContact CB-CB 4.19Å; R379-K382 HydrophobicContact CB-CD 4.05Å; R379-K382 HydrophobicContact CB-CG 4.25Å; R379-K382 HydrophobicContact CG-CD 4.5Å; R379-K382 WeakPolarHBondContact O-CB 3.3Å; R379-K382 PolarHBondContact O-N 2.82Å; R379-K382 VanDerWaalsContact O-N 3.07Å; R379-F383 PolarHBondContact O-N 2.79Å
380F73.1Confident77Confident17 Ų1753.5 Ų53.58%0.07525%0.25CC..Hα-helixtrans-60.7-29178.6-85.6-86.9000114.6K382 F383 N384 D522 T524 F634F380-K382 VanDerWaalsContact C-N 3.32Å; F380-F383 HydrophobicContact CD1-CD1 4.15Å; F380-F383 PolarHBondContact O-N 2.73Å; F380-N384 WeakPolarHBondContact O-CB 3.41Å; F380-N384 PolarHBondContact O-N 3.34Å; F380-N384 PolarHBondContact O-ND2 2.88Å; F380-N384 VanDerWaalsContact O-ND2 3.07Å; F380-D522 HydrophobicContact CB-CB 4.23Å; F380-D522 VanDerWaalsContact CB-OD2 3.31Å; F380-D522 WeakPolarHBondContact CB-OD2 3.49Å; F380-D522 HydrophobicContact CD1-CB 4.09Å; F380-D522 HydrophobicContact CD2-CB 4.42Å; F380-D522 VanDerWaalsContact CD2-CG 3.45Å; F380-D522 WeakPolarHBondContact CD2-OD1 3.31Å; F380-D522 HydrophobicContact CE1-CB 4.34Å; F380-D522 WeakPolarHBondContact CE2-OD1 3.48Å; F380-D522 HydrophobicContact CG-CB 4.04Å; F380-D522 VanDerWaalsContact CG-CG 3.47Å; F380-D522 WeakPolarHBondContact CZ-OD1 3.46Å; F380-T524 HydrophobicContact CD2-CG2 4.3Å; F380-T524 HydrophobicContact CE2-CG2 3.64Å; F380-F634 HydrophobicContact CD2-CE1 4.44Å; F380-F634 HydrophobicContact CE1-CE1 4.35Å; F380-F634 AromaticContact CE1-CZ 3.74Å; F380-F634 HydrophobicContact CE1-CZ 3.74Å; F380-F634 HydrophobicContact CE2-CD1 4.4Å; F380-F634 AromaticContact CE2-CE1 3.26Å; F380-F634 HydrophobicContact CE2-CE1 3.26Å; F380-F634 AromaticContact CE2-CZ 3.53Å; F380-F634 HydrophobicContact CE2-CZ 3.53Å; F380-F634 AromaticContact CZ-CE1 3.27Å; F380-F634 HydrophobicContact CZ-CE1 3.27Å; F380-F634 HydrophobicContact CZ-CE2 4.25Å; F380-F634 AromaticContact CZ-CZ 3.04Å; F380-F634 HydrophobicContact CZ-CZ 3.04Å
381D72.7Confident76.8Confident90 Ų9056 Ų5648%0.48128%0.275SS..Hα-helixtrans-61-43.8173.463.5-39.6000111.1R379 N384 S385R379-D381 IonicContact CZ-OD1 4Å; R379-D381 IonicContact CZ-OD2 2.81Å; R379-D381 IonicContact NE-OD1 3.24Å; R379-D381 PolarHBondContact NE-OD1 2.94Å; R379-D381 IonicContact NE-OD2 2.63Å; R379-D381 IonicContact NH2-OD1 3.88Å; R379-D381 PolarHBondContact NH2-OD1 3.36Å; R379-D381 IonicContact NH2-OD2 2.79Å; R379-D381 PolarHBondContact NH2-OD2 2.84Å; R379-D381 PolarHBondContact O-N 3.28Å; D381-N384 PolarHBondContact O-N 3.22Å; D381-S385 PolarHBondContact O-N 2.98Å
382K73.6Confident76.7Confident76 Ų7654.6 Ų54.633%0.3327%0.27SS..Hα-helixtrans-68.9-40.9174.8-68.4-178.5176.1-178.90111.6Q375 T376 R379 F380 N384 S385 K386Q375-K382 WeakPolarHBondContact O-CD 3.28Å; T376-K382 HydrophobicContact CG2-CB 4.35Å; R379-K382 HydrophobicContact CB-CB 4.19Å; R379-K382 HydrophobicContact CB-CD 4.05Å; R379-K382 HydrophobicContact CB-CG 4.25Å; R379-K382 HydrophobicContact CG-CD 4.5Å; R379-K382 WeakPolarHBondContact O-CB 3.3Å; R379-K382 PolarHBondContact O-N 2.82Å; R379-K382 VanDerWaalsContact O-N 3.07Å; F380-K382 VanDerWaalsContact C-N 3.32Å; K382-N384 PolarHBondContact O-N 3.29Å; K382-S385 PolarHBondContact O-N 3.32Å; K382-S385 PolarHBondContact O-OG 2.54Å; K382-K386 WeakPolarHBondContact O-CG 3.37Å; K382-K386 PolarHBondContact O-N 2.99Å
383F76.9Confident77Confident18 Ų1857.9 Ų57.98%0.07929%0.293CS..Hα-helixtrans-56.3-49172.7167.3-106.5000111.9R379 F380 S385 K386 Y387 L633 D658 F662R379-F383 PolarHBondContact O-N 2.79Å; F380-F383 HydrophobicContact CD1-CD1 4.15Å; F380-F383 PolarHBondContact O-N 2.73Å; F383-S385 PolarHBondContact O-N 3.25Å; F383-K386 VanDerWaalsContact O-CB 3.23Å; F383-K386 WeakPolarHBondContact O-CB 3.39Å; F383-K386 PolarHBondContact O-N 2.65Å; F383-Y387 HydrophobicContact CE1-CE2 4.13Å; F383-Y387 HydrophobicContact CZ-CE2 4.04Å; F383-L633 HydrophobicContact CB-CD2 3.86Å; F383-L633 HydrophobicContact CD2-CD1 3.99Å; F383-L633 HydrophobicContact CD2-CD2 3.87Å; F383-L633 HydrophobicContact CD2-CG 4.48Å; F383-L633 HydrophobicContact CE2-CD1 4.07Å; F383-L633 HydrophobicContact CG-CD1 4.28Å; F383-L633 HydrophobicContact CG-CD2 3.98Å; F383-L633 HydrophobicContact CZ-CD1 4.43Å; F383-D658 WeakPolarHBondContact CE2-OD2 3.47Å; F383-D658 VanDerWaalsContact CZ-OD2 3.23Å; F383-D658 WeakPolarHBondContact CZ-OD2 3.24Å; F383-F662 HydrophobicContact CD2-CZ 4.1Å; F383-F662 HydrophobicContact CE2-CE2 4.11Å; F383-F662 AromaticContact CE2-CZ 3.62Å; F383-F662 HydrophobicContact CE2-CZ 3.62Å
384N79.9Confident77.8Confident71 Ų7158.5 Ų58.538%0.3829%0.29SS..Hα-helixtrans-60-31.9177.8-80.9-48.6000113.1F380 D381 K382 K386F380-N384 WeakPolarHBondContact O-CB 3.41Å; F380-N384 PolarHBondContact O-N 3.34Å; F380-N384 PolarHBondContact O-ND2 2.88Å; F380-N384 VanDerWaalsContact O-ND2 3.07Å; D381-N384 PolarHBondContact O-N 3.22Å; K382-N384 PolarHBondContact O-N 3.29Å; N384-K386 VanDerWaalsContact C-N 3.27Å; N384-K386 PolarHBondContact O-N 3.37Å
385S79.7Confident78.7Confident51 Ų5147 Ų4736%0.35725%0.247SC..Hα-helixtrans-68.9-22.2174.374.60000113.7D381 K382 F383 Y387 N388D381-S385 PolarHBondContact O-N 2.98Å; K382-S385 PolarHBondContact O-N 3.32Å; K382-S385 PolarHBondContact O-OG 2.54Å; F383-S385 PolarHBondContact O-N 3.25Å; S385-Y387 PolarHBondContact O-N 2.68Å; S385-N388 VanDerWaalsContact O-CB 3.31Å; S385-N388 WeakPolarHBondContact O-CB 3.34Å; S385-N388 PolarHBondContact O-N 2.79Å
386K84.8Confident79.5Confident7 Ų745.7 Ų45.73%0.0324%0.238CC..Hα-helixtrans-68.5-17177.8-62.2-53-178.4-172.20114.3D369 H371 T376 K382 F383 N384 N388 Q661D369-K386 WeakPolarHBondContact O-CD 3.28Å; D369-K386 PolarHBondContact O-NZ 2.76Å; D369-K386 IonicContact OD1-NZ 3.44Å; D369-K386 PolarHBondContact OD1-NZ 3.42Å; D369-K386 IonicContact OD2-NZ 2.65Å; D369-K386 PolarHBondContact OD2-NZ 3.11Å; H371-K386 WeakPolarHBondContact O-CE 3.22Å; T376-K386 HydrophobicContact CG2-CG 4.4Å; K382-K386 WeakPolarHBondContact O-CG 3.37Å; K382-K386 PolarHBondContact O-N 2.99Å; F383-K386 VanDerWaalsContact O-CB 3.23Å; F383-K386 WeakPolarHBondContact O-CB 3.39Å; F383-K386 PolarHBondContact O-N 2.65Å; N384-K386 VanDerWaalsContact C-N 3.27Å; N384-K386 PolarHBondContact O-N 3.37Å; K386-N388 PolarHBondContact O-N 2.84Å; K386-Q661 HydrophobicContact CB-CG 4.35Å
387Y80Confident80.5Confident20 Ų2049.7 Ų49.78%0.07826%0.257CS..THydrogen-bonded Turntrans-72.1-8.9167.1-70.6-78.8000113.7A315 A316 F383 S385 P389 R396 D658 M660 Q661A315-Y387 HydrophobicContact CB-CD1 4.36Å; A315-Y387 HydrophobicContact CB-CE1 4.38Å; A316-Y387 HydrophobicContact CB-CD1 4.42Å; A316-Y387 HydrophobicContact CB-CE1 3.81Å; F383-Y387 HydrophobicContact CE1-CE2 4.13Å; F383-Y387 HydrophobicContact CZ-CE2 4.04Å; S385-Y387 PolarHBondContact O-N 2.68Å; Y387-P389 VanDerWaalsContact O-CD 3.32Å; Y387-P389 WeakPolarHBondContact O-CD 3.3Å; Y387-R396 VanDerWaalsContact O-CD 3.24Å; Y387-R396 WeakPolarHBondContact O-CD 3.3Å; Y387-R396 WeakPolarHBondContact O-CG 3.09Å; Y387-D658 WeakPolarHBondContact CE1-OD1 3.17Å; Y387-D658 VanDerWaalsContact CZ-OD1 3.24Å; Y387-D658 PolarHBondContact OH-OD1 2.93Å; Y387-D658 PolarHBondContact OH-OD2 3.44Å; Y387-M660 HydrophobicContact CD1-CE 4.43Å; Y387-Q661 VanDerWaalsContact CZ-NE2 3.28Å
388N81.2Confident81.6Confident33 Ų3346 Ų4618%0.17624%0.241CC..SBendtrans-98.9101.4176.3-55.8-30.8000109S385 K386 M390 G391 R396S385-N388 VanDerWaalsContact O-CB 3.31Å; S385-N388 WeakPolarHBondContact O-CB 3.34Å; S385-N388 PolarHBondContact O-N 2.79Å; K386-N388 PolarHBondContact O-N 2.84Å; N388-M390 PolarHBondContact O-N 3.26Å; N388-G391 WeakPolarHBondContact O-CA 3.46Å; N388-G391 PolarHBondContact O-N 2.92Å; N388-R396 WeakPolarHBondContact OD1-CD 3.43Å; N388-R396 PolarHBondContact OD1-NH1 3.43Å
389P79.8Confident82.7Confident0 Ų040.8 Ų40.80%022%0.217CC..G310 helixtrans-57.1135.6175.7-21.633.7000110.2L323 L368 V370 Y387 G391 A392 L395 L400L323-P389 HydrophobicContact CD2-CG 4.1Å; L368-P389 HydrophobicContact CD2-CB 4.29Å; V370-P389 HydrophobicContact CG1-CB 4.28Å; V370-P389 HydrophobicContact CG1-CG 4.42Å; Y387-P389 VanDerWaalsContact O-CD 3.32Å; Y387-P389 WeakPolarHBondContact O-CD 3.3Å; P389-G391 PolarHBondContact O-N 3.24Å; P389-G391 VanDerWaalsContact O-N 3.15Å; P389-A392 PolarHBondContact O-N 2.78Å; P389-L395 HydrophobicContact CB-CB 4.25Å; P389-L395 HydrophobicContact CG-CB 4.45Å; P389-L400 HydrophobicContact CG-CD1 4.01Å
390M79.9Confident83.8Confident49 Ų4935.7 Ų35.724%0.24120%0.198CC..G310 helixtrans59.715.2-174.3-55.2-66.6-33.400114.2M358 L363 S367 L368 N388 A392 L395M358-M390 HydrophobicContact CE-CE 3.05Å; M358-M390 HydrophobicContact CE-CG 4.11Å; M358-M390 HydrophobicContact CE-SD 3.52Å; M358-M390 VanDerWaalsContact CE-SD 3.52Å; M358-M390 HydrophobicContact SD-CB 4.19Å; M358-M390 HydrophobicContact SD-CE 3.57Å; M358-M390 VanDerWaalsContact SD-CE 3.57Å; M358-M390 HydrophobicContact SD-CG 3.92Å; M358-M390 HydrophobicContact SD-SD 4.12Å; L363-M390 HydrophobicContact CD2-CG 4.41Å; L363-M390 HydrophobicContact CD2-SD 3.6Å; S367-M390 WeakPolarHBondContact O-CE 3.39Å; L368-M390 HydrophobicContact CD2-CG 4.4Å; L368-M390 HydrophobicContact CD2-SD 4.27Å; L368-M390 PolarHBondContact O-N 3.42Å; N388-M390 PolarHBondContact O-N 3.26Å; M390-A392 PolarHBondContact O-N 3.3Å; M390-L395 HydrophobicContact CB-CD1 4.11Å; M390-L395 HydrophobicContact CG-CD1 3.86Å
391G78.9Confident84.7Confident52 Ų5237.6 Ų37.654%0.53621%0.206SC..G310 helixtrans68.77.2-168.700000114.2N388 P389N388-G391 WeakPolarHBondContact O-CA 3.46Å; N388-G391 PolarHBondContact O-N 2.92Å; P389-G391 PolarHBondContact O-N 3.24Å; P389-G391 VanDerWaalsContact O-N 3.15Å
392A83.5Confident85.7Confident9 Ų935 Ų357%0.07419%0.193CC..  trans-95.7119.3-177.100000111.3L356 P389 M390 E394 L395 R396L356-A392 HydrophobicContact CD1-CB 3.96Å; L356-A392 HydrophobicContact CD2-CB 4Å; P389-A392 PolarHBondContact O-N 2.78Å; M390-A392 PolarHBondContact O-N 3.3Å; A392-E394 PolarHBondContact O-N 2.62Å; A392-L395 HydrophobicContact CB-CB 4.46Å; A392-L395 HydrophobicContact CB-CD1 4.26Å; A392-L395 HydrophobicContact CB-CG 4.11Å; A392-L395 PolarHBondContact O-N 2.81Å; A392-R396 PolarHBondContact O-N 3.18Å
393S87.2Confident86.5Confident70 Ų7035.1 Ų35.149%0.4920%0.197SC..Hα-helixtrans-62.1-32.9175.6420000112.8L395 R396 E397S393-L395 PolarHBondContact O-N 2.79Å; S393-R396 WeakPolarHBondContact O-CB 3.45Å; S393-R396 PolarHBondContact O-N 3.32Å; S393-E397 PolarHBondContact O-N 3.05Å
394E90.1Very high87.2Confident35 Ų3534.9 Ų34.916%0.16420%0.197CC..Hα-helixtrans-60.9-42.9179.6-6985.4161.400111.3L340 K342 A392 E397 I398L340-E394 HydrophobicContact CD2-CB 4.22Å; L340-E394 HydrophobicContact CD2-CG 3.85Å; K342-E394 IonicContact NZ-OE1 3.82Å; K342-E394 PolarHBondContact NZ-OE1 3.47Å; A392-E394 PolarHBondContact O-N 2.62Å; E394-E397 PolarHBondContact O-N 3.07Å; E394-I398 WeakPolarHBondContact O-CD1 3.39Å; E394-I398 VanDerWaalsContact O-CG1 3.24Å; E394-I398 WeakPolarHBondContact O-CG1 3.46Å; E394-I398 PolarHBondContact O-N 3.22Å
395L90.8Very high87.8Confident2 Ų235.4 Ų35.41%0.0119%0.194CC..Hα-helixtrans-69.7-36.4179-63.9-177.1000111.7V352 F353 L356 P389 M390 A392 S393 E397 I398 F399V352-L395 HydrophobicContact CG1-CD2 4.29Å; F353-L395 HydrophobicContact CE2-CD2 4.3Å; F353-L395 HydrophobicContact CZ-CD2 4.15Å; L356-L395 HydrophobicContact CD1-CD1 4.05Å; L356-L395 HydrophobicContact CD1-CD2 4.18Å; L356-L395 HydrophobicContact CD1-CG 3.94Å; P389-L395 HydrophobicContact CB-CB 4.25Å; P389-L395 HydrophobicContact CG-CB 4.45Å; M390-L395 HydrophobicContact CB-CD1 4.11Å; M390-L395 HydrophobicContact CG-CD1 3.86Å; A392-L395 HydrophobicContact CB-CB 4.46Å; A392-L395 HydrophobicContact CB-CD1 4.26Å; A392-L395 HydrophobicContact CB-CG 4.11Å; A392-L395 PolarHBondContact O-N 2.81Å; S393-L395 PolarHBondContact O-N 2.79Å; L395-E397 VanDerWaalsContact C-N 3.34Å; L395-I398 PolarHBondContact O-N 2.77Å; L395-F399 HydrophobicContact CB-CD2 4.46Å; L395-F399 HydrophobicContact CD2-CD2 4.45Å; L395-F399 HydrophobicContact CD2-CE2 4.09Å; L395-F399 WeakPolarHBondContact O-CB 3.45Å; L395-F399 WeakPolarHBondContact O-CD2 3.39Å; L395-F399 PolarHBondContact O-N 3.5Å
396R91.5Very high88.5Confident61 Ų6133.6 Ų33.623%0.2318%0.181CC..Hα-helixtrans-61.9-44171.8179.2-179-177.6176.36.1111.4Y387 N388 A392 S393 L400 K401Y387-R396 VanDerWaalsContact O-CD 3.24Å; Y387-R396 WeakPolarHBondContact O-CD 3.3Å; Y387-R396 WeakPolarHBondContact O-CG 3.09Å; N388-R396 WeakPolarHBondContact OD1-CD 3.43Å; N388-R396 PolarHBondContact OD1-NH1 3.43Å; A392-R396 PolarHBondContact O-N 3.18Å; S393-R396 WeakPolarHBondContact O-CB 3.45Å; S393-R396 PolarHBondContact O-N 3.32Å; R396-L400 HydrophobicContact CG-CB 4.22Å; R396-L400 HydrophobicContact CG-CD1 4.43Å; R396-L400 CarbonylContact O-C 3.59Å; R396-L400 WeakPolarHBondContact O-CA 3.3Å; R396-L400 WeakPolarHBondContact O-CB 3.42Å; R396-L400 PolarHBondContact O-N 3.32Å; R396-K401 PolarHBondContact O-N 3.14Å
397E91.6Very high88.9Confident84 Ų8438 Ų3839%0.39321%0.205SC..Hα-helixtrans-60.9-46.5177.8-174.5175.216700111.2S393 E394 L395 K401 N404S393-E397 PolarHBondContact O-N 3.05Å; E394-E397 PolarHBondContact O-N 3.07Å; L395-E397 VanDerWaalsContact C-N 3.34Å; E397-K401 WeakPolarHBondContact O-CB 3.33Å; E397-N404 HydrophobicContact CG-CB 4.09Å; E397-N404 WeakPolarHBondContact O-CB 3.4Å; E397-N404 PolarHBondContact O-ND2 2.93Å
398I94.2Very high89.6Confident0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-67.8-46.1-178-67.5161000112.1V339 L340 V352 E394 L395 N404 Y410V339-I398 HydrophobicContact CB-CD1 4.37Å; V339-I398 HydrophobicContact CB-CG1 4.35Å; V339-I398 HydrophobicContact CB-CG2 4.24Å; V339-I398 HydrophobicContact CG2-CD1 3.68Å; V339-I398 HydrophobicContact CG2-CG1 4.17Å; L340-I398 HydrophobicContact CB-CD1 4.38Å; V352-I398 HydrophobicContact CG1-CD1 4.03Å; V352-I398 HydrophobicContact CG2-CD1 4.25Å; E394-I398 WeakPolarHBondContact O-CD1 3.39Å; E394-I398 VanDerWaalsContact O-CG1 3.24Å; E394-I398 WeakPolarHBondContact O-CG1 3.46Å; E394-I398 PolarHBondContact O-N 3.22Å; L395-I398 PolarHBondContact O-N 2.77Å; I398-N404 PolarHBondContact O-ND2 3.28Å; I398-Y410 HydrophobicContact CG2-CD2 3.77Å; I398-Y410 HydrophobicContact CG2-CE2 4.01Å
399F95.4Very high90.3Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-100.4-25-168.5-68.8-73.6000115F326 I327 R330 L349 L395 Y410 F411F326-F399 HydrophobicContact CD1-CD1 4.1Å; F326-F399 HydrophobicContact CD1-CE1 4.26Å; F326-F399 AromaticContact CE1-CD1 3.95Å; F326-F399 HydrophobicContact CE1-CD1 3.95Å; F326-F399 HydrophobicContact CE1-CE1 4.14Å; I327-F399 HydrophobicContact CB-CZ 4.45Å; I327-F399 HydrophobicContact CD1-CD2 4.34Å; I327-F399 HydrophobicContact CD1-CE2 4.49Å; I327-F399 HydrophobicContact CG1-CD1 4.19Å; I327-F399 HydrophobicContact CG1-CD2 4.09Å; I327-F399 HydrophobicContact CG1-CE1 4.08Å; I327-F399 HydrophobicContact CG1-CE2 3.99Å; I327-F399 HydrophobicContact CG1-CG 4.2Å; I327-F399 HydrophobicContact CG1-CZ 3.98Å; I327-F399 HydrophobicContact CG2-CE2 4.39Å; I327-F399 HydrophobicContact CG2-CZ 4.28Å; R330-F399 HydrophobicContact CB-CE1 4.27Å; R330-F399 HydrophobicContact CG-CE1 4.29Å; L349-F399 HydrophobicContact CD1-CE2 4.46Å; L349-F399 HydrophobicContact CD1-CZ 4.15Å; L395-F399 HydrophobicContact CB-CD2 4.46Å; L395-F399 HydrophobicContact CD2-CD2 4.45Å; L395-F399 HydrophobicContact CD2-CE2 4.09Å; L395-F399 WeakPolarHBondContact O-CB 3.45Å; L395-F399 WeakPolarHBondContact O-CD2 3.39Å; L395-F399 PolarHBondContact O-N 3.5Å; F399-Y410 AromaticContact CD1-CD2 3.82Å; F399-Y410 HydrophobicContact CD1-CD2 3.82Å; F399-Y410 HydrophobicContact CD1-CG 4.27Å; F399-Y410 AromaticContact CE1-CD2 3.65Å; F399-Y410 HydrophobicContact CE1-CD2 3.65Å; F399-Y410 HydrophobicContact CE1-CE2 4.07Å; F399-Y410 HydrophobicContact CE1-CG 4.31Å; F399-Y410 HydrophobicContact CZ-CD2 4.42Å; F399-F411 VanDerWaalsContact O-CA 3.28Å; F399-F411 WeakPolarHBondContact O-CA 3.47Å; F399-F411 VanDerWaalsContact O-CB 3.29Å; F399-F411 WeakPolarHBondContact O-CB 3.46Å; F399-F411 PolarHBondContact O-N 3.47Å
400L94.7Very high91.1Very high5 Ų537.2 Ų37.23%0.02620%0.2CC..Hα-helixtrans-1258.3-167.2-52-179.9000114.1M318 L323 P389 R396M318-L400 HydrophobicContact CE-CD2 3.28Å; L323-L400 HydrophobicContact CD1-CD2 4.17Å; L323-L400 HydrophobicContact CD2-CD2 4.49Å; P389-L400 HydrophobicContact CG-CD1 4.01Å; R396-L400 HydrophobicContact CG-CB 4.22Å; R396-L400 HydrophobicContact CG-CD1 4.43Å; R396-L400 CarbonylContact O-C 3.59Å; R396-L400 WeakPolarHBondContact O-CA 3.3Å; R396-L400 WeakPolarHBondContact O-CB 3.42Å; R396-L400 PolarHBondContact O-N 3.32Å
401K93.1Very high92Very high57 Ų5735.1 Ų35.125%0.24819%0.19CC..  trans-110.4144.1174.7-68.4-67.6-171.6173.30111.6R396 E397 G408 Y437R396-K401 PolarHBondContact O-N 3.14Å; E397-K401 WeakPolarHBondContact O-CB 3.33Å; K401-G408 WeakPolarHBondContact O-CA 3.12Å; K401-Y437 PolarHBondContact NZ-OH 2.85Å
402T92.5Very high92.9Very high34 Ų3432.7 Ų32.721%0.20916%0.164CC..SBendtrans-77.1-27.6175.6560000112.4N407 G408 F411 L434 L447 W450T402-N407 CarbonylContact O-C 3.49Å; T402-G408 WeakPolarHBondContact O-CA 3.42Å; T402-G408 PolarHBondContact O-N 3.03Å; T402-F411 HydrophobicContact CG2-CD1 3.75Å; T402-F411 HydrophobicContact CG2-CE1 3.75Å; T402-L434 HydrophobicContact CG2-CD2 4.23Å; T402-L447 HydrophobicContact CG2-CD1 3.91Å; T402-W450 HydrophobicContact CG2-CD2 3.87Å; T402-W450 HydrophobicContact CG2-CE3 3.83Å; T402-W450 HydrophobicContact CG2-CH2 3.75Å; T402-W450 HydrophobicContact CG2-CZ2 3.81Å; T402-W450 HydrophobicContact CG2-CZ3 3.76Å
403D90.1Very high93.5Very high79 Ų7936 Ų3642%0.42218%0.175SC..SBendtrans-121.7101.7-175.7-177.528.1000108.2R439D403-R439 IonicContact OD2-NH2 3.75Å; D403-R439 PolarHBondContact OD2-NH2 3.38Å; D403-R439 VanDerWaalsContact OD2-NH2 3.15Å
404N92.8Very high94Very high13 Ų1332.7 Ų32.77%0.0715%0.152CC..SBendtrans-154.9-179.2-179.56915.9000109.4E397 I398 L406 N407 G408E397-N404 HydrophobicContact CG-CB 4.09Å; E397-N404 WeakPolarHBondContact O-CB 3.4Å; E397-N404 PolarHBondContact O-ND2 2.93Å; I398-N404 PolarHBondContact O-ND2 3.28Å; N404-L406 PolarHBondContact O-N 2.87Å; N404-L406 VanDerWaalsContact O-N 3.1Å; N404-L406 WeakPolarHBondContact OD1-CA 3.3Å; N404-L406 PolarHBondContact OD1-N 2.94Å; N404-N407 WeakPolarHBondContact O-CA 3.45Å; N404-N407 PolarHBondContact O-N 3.03Å; N404-N407 PolarHBondContact OD1-N 3.32Å; N404-N407 VanDerWaalsContact OD1-N 3.15Å; N404-G408 PolarHBondContact OD1-N 2.85Å
405Y92.8Very high94.4Very high83 Ų8331.1 Ų31.133%0.32515%0.145SC..THydrogen-bonded Turntrans-54-32.6-179.7-174.5-86.8000113.8V338 E341 E346 N407V338-Y405 HydrophobicContact CB-CE1 3.93Å; V338-Y405 HydrophobicContact CG1-CD1 4.23Å; V338-Y405 HydrophobicContact CG1-CE1 3.5Å; V338-Y405 HydrophobicContact CG1-CE2 4.29Å; E341-Y405 HydrophobicContact CB-CD2 3.99Å; E341-Y405 HydrophobicContact CB-CE2 4.28Å; E346-Y405 HydrophobicContact CG-CE2 4.46Å; E346-Y405 PolarHBondContact OE1-OH 2.96Å; Y405-N407 VanDerWaalsContact C-N 3.32Å
406L93.2Very high94.7Very high13 Ų1335 Ų357%0.06816%0.161CC..THydrogen-bonded Turntrans-90.211.4177.8-64.4-177.9000113.7V338 V339 N404 G408 E409 Y410V338-L406 WeakPolarHBondContact O-CD2 3.19Å; V339-L406 HydrophobicContact CB-CD1 4.24Å; V339-L406 HydrophobicContact CG1-CD1 3.97Å; N404-L406 PolarHBondContact O-N 2.87Å; N404-L406 VanDerWaalsContact O-N 3.1Å; N404-L406 WeakPolarHBondContact OD1-CA 3.3Å; N404-L406 PolarHBondContact OD1-N 2.94Å; L406-G408 PolarHBondContact O-N 3.41Å; L406-E409 HydrophobicContact CB-CB 4.48Å; L406-E409 WeakPolarHBondContact O-CB 3.28Å; L406-E409 PolarHBondContact O-N 2.95Å; L406-Y410 HydrophobicContact CD1-CD1 4.46Å; L406-Y410 HydrophobicContact CD1-CD2 3.76Å; L406-Y410 HydrophobicContact CD1-CE1 4.22Å; L406-Y410 HydrophobicContact CD1-CE2 3.47Å; L406-Y410 VanDerWaalsContact CD1-CE2 3.47Å; L406-Y410 HydrophobicContact CD1-CG 4.25Å
407N93.4Very high95Very high100 Ų10035.2 Ų35.254%0.53517%0.165SC..THydrogen-bonded Turntrans49.941.8-173.2-57-63.6000112.1T402 N404 Y405 E409 W450T402-N407 CarbonylContact O-C 3.49Å; N404-N407 WeakPolarHBondContact O-CA 3.45Å; N404-N407 PolarHBondContact O-N 3.03Å; N404-N407 PolarHBondContact OD1-N 3.32Å; N404-N407 VanDerWaalsContact OD1-N 3.15Å; Y405-N407 VanDerWaalsContact C-N 3.32Å; N407-E409 VanDerWaalsContact C-N 3.27Å; N407-E409 PolarHBondContact O-N 2.8Å; N407-W450 VanDerWaalsContact O-CD1 3.28Å
408G94.9Very high95.2Very high0 Ų032 Ų320%015%0.151CC..THydrogen-bonded Turntrans65.620.1174.700000115.6K401 T402 N404 L406 Y410 F411 A412 W450K401-G408 WeakPolarHBondContact O-CA 3.12Å; T402-G408 WeakPolarHBondContact O-CA 3.42Å; T402-G408 PolarHBondContact O-N 3.03Å; N404-G408 PolarHBondContact OD1-N 2.85Å; L406-G408 PolarHBondContact O-N 3.41Å; G408-Y410 PolarHBondContact O-N 3.32Å; G408-F411 PolarHBondContact O-N 3.04Å; G408-A412 WeakPolarHBondContact O-CB 3.34Å; G408-A412 PolarHBondContact O-N 3.06Å; G408-W450 PolarHBondContact O-NE1 2.83Å
409E96.3Very high95.4Very high36 Ų3632.4 Ų32.417%0.16816%0.155CC..Hα-helixtrans-58.3-43.9-176.6-175.8-174.3140.300113.1R337 L406 N407 A412 R413R337-E409 IonicContact CZ-OE1 2.95Å; R337-E409 IonicContact CZ-OE2 3.03Å; R337-E409 IonicContact NH1-OE1 3.55Å; R337-E409 PolarHBondContact NH1-OE1 2.82Å; R337-E409 IonicContact NH1-OE2 3.85Å; R337-E409 PolarHBondContact NH1-OE2 3.23Å; R337-E409 IonicContact NH2-OE1 3.91Å; R337-E409 IonicContact NH2-OE2 2.85Å; R337-E409 PolarHBondContact NH2-OE2 2.73Å; L406-E409 HydrophobicContact CB-CB 4.48Å; L406-E409 WeakPolarHBondContact O-CB 3.28Å; L406-E409 PolarHBondContact O-N 2.95Å; N407-E409 VanDerWaalsContact C-N 3.27Å; N407-E409 PolarHBondContact O-N 2.8Å; E409-A412 PolarHBondContact O-N 3.42Å; E409-R413 WeakPolarHBondContact O-CG 3.47Å; E409-R413 PolarHBondContact O-N 3.36Å; E409-R413 IonicContact OE1-CZ 2.71Å; E409-R413 IonicContact OE1-NE 3.65Å; E409-R413 PolarHBondContact OE1-NE 2.89Å; E409-R413 IonicContact OE1-NH2 3.7Å; E409-R413 PolarHBondContact OE1-NH2 3.26Å
410Y96.9Very high95.4Very high0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-65.8-44.3179.2-71.6-17.7000112.3F326 R330 D334 V339 I398 F399 L406 G408 A412 R413 I414F326-Y410 HydrophobicContact CE1-CG 4.33Å; F326-Y410 HydrophobicContact CZ-CD1 4.5Å; R330-Y410 HydrophobicContact CG-CD1 4.46Å; R330-Y410 HydrophobicContact CG-CE1 4.3Å; D334-Y410 WeakPolarHBondContact CB-OH 3.49Å; D334-Y410 PolarHBondContact OD2-OH 3.12Å; V339-Y410 HydrophobicContact CG1-CE2 4.23Å; I398-Y410 HydrophobicContact CG2-CD2 3.77Å; I398-Y410 HydrophobicContact CG2-CE2 4.01Å; F399-Y410 AromaticContact CD1-CD2 3.82Å; F399-Y410 HydrophobicContact CD1-CD2 3.82Å; F399-Y410 HydrophobicContact CD1-CG 4.27Å; F399-Y410 AromaticContact CE1-CD2 3.65Å; F399-Y410 HydrophobicContact CE1-CD2 3.65Å; F399-Y410 HydrophobicContact CE1-CE2 4.07Å; F399-Y410 HydrophobicContact CE1-CG 4.31Å; F399-Y410 HydrophobicContact CZ-CD2 4.42Å; L406-Y410 HydrophobicContact CD1-CD1 4.46Å; L406-Y410 HydrophobicContact CD1-CD2 3.76Å; L406-Y410 HydrophobicContact CD1-CE1 4.22Å; L406-Y410 HydrophobicContact CD1-CE2 3.47Å; L406-Y410 VanDerWaalsContact CD1-CE2 3.47Å; L406-Y410 HydrophobicContact CD1-CG 4.25Å; G408-Y410 PolarHBondContact O-N 3.32Å; Y410-A412 VanDerWaalsContact C-N 3.3Å; Y410-A412 PolarHBondContact O-N 3.49Å; Y410-R413 PolarHBondContact O-N 3.47Å; Y410-R413 VanDerWaalsContact O-N 3.17Å; Y410-I414 WeakPolarHBondContact O-CG1 3.5Å; Y410-I414 PolarHBondContact O-N 2.72Å; Y410-I414 VanDerWaalsContact O-N 3.1Å
411F97.6Very high95.4Very high5 Ų537.4 Ų37.42%0.02219%0.187CC..Hα-helixtrans-60.9-43.8176.1-175.3-135.1000111.1A314 F399 T402 G408 R413 I414 I415 L434 W450A314-F411 HydrophobicContact CB-CZ 4.1Å; A314-F411 WeakPolarHBondContact O-CE2 3.35Å; A314-F411 WeakPolarHBondContact O-CZ 3.4Å; F399-F411 VanDerWaalsContact O-CA 3.28Å; F399-F411 WeakPolarHBondContact O-CA 3.47Å; F399-F411 VanDerWaalsContact O-CB 3.29Å; F399-F411 WeakPolarHBondContact O-CB 3.46Å; F399-F411 PolarHBondContact O-N 3.47Å; T402-F411 HydrophobicContact CG2-CD1 3.75Å; T402-F411 HydrophobicContact CG2-CE1 3.75Å; G408-F411 PolarHBondContact O-N 3.04Å; F411-R413 VanDerWaalsContact C-N 3.32Å; F411-R413 PolarHBondContact O-N 3.31Å; F411-I414 PolarHBondContact O-N 3.13Å; F411-I415 HydrophobicContact CD2-CG1 4.36Å; F411-I415 HydrophobicContact CE1-CG1 4.49Å; F411-I415 HydrophobicContact CE2-CD1 3.87Å; F411-I415 HydrophobicContact CE2-CG1 4.03Å; F411-I415 HydrophobicContact CZ-CD1 3.96Å; F411-I415 HydrophobicContact CZ-CG1 4.1Å; F411-I415 WeakPolarHBondContact O-CG1 3.17Å; F411-I415 PolarHBondContact O-N 3.16Å; F411-L434 HydrophobicContact CE1-CD2 4.38Å; F411-W450 AromaticContact CD1-CH2 3.97Å; F411-W450 HydrophobicContact CD1-CH2 3.97Å; F411-W450 AromaticContact CD1-CZ2 3.57Å; F411-W450 HydrophobicContact CD1-CZ2 3.57Å; F411-W450 AromaticContact CE1-CH2 3.94Å; F411-W450 HydrophobicContact CE1-CH2 3.94Å; F411-W450 HydrophobicContact CE1-CZ2 4.04Å; F411-W450 HydrophobicContact CG-CZ2 4.38Å
412A97.6Very high95.5Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-59.3-38.617500000113.6G408 E409 Y410 I415 K416 W450 Q454 L456G408-A412 WeakPolarHBondContact O-CB 3.34Å; G408-A412 PolarHBondContact O-N 3.06Å; E409-A412 PolarHBondContact O-N 3.42Å; Y410-A412 VanDerWaalsContact C-N 3.3Å; Y410-A412 PolarHBondContact O-N 3.49Å; A412-I415 PolarHBondContact O-N 2.93Å; A412-K416 WeakPolarHBondContact O-CG 3.36Å; A412-K416 PolarHBondContact O-N 3.32Å; A412-W450 HydrophobicContact CB-CZ2 4.02Å; A412-Q454 HydrophobicContact CB-CB 3.59Å; A412-Q454 HydrophobicContact CB-CG 3.61Å; A412-L456 HydrophobicContact CB-CD1 4.22Å; A412-L456 HydrophobicContact CB-CD2 3.86Å; A412-L456 HydrophobicContact CB-CG 4.45Å
413R97.4Very high95.6Very high80 Ų8038.5 Ų38.530%0.30219%0.191SC..Hα-helixtrans-65.1-43.6176-73.6178.7-175.8-1680.8111.9F326 E409 Y410 F411 I415 K416 E417F326-R413 HydrophobicContact CE2-CB 3.87Å; F326-R413 HydrophobicContact CZ-CB 3.87Å; E409-R413 WeakPolarHBondContact O-CG 3.47Å; E409-R413 PolarHBondContact O-N 3.36Å; E409-R413 IonicContact OE1-CZ 2.71Å; E409-R413 IonicContact OE1-NE 3.65Å; E409-R413 PolarHBondContact OE1-NE 2.89Å; E409-R413 IonicContact OE1-NH2 3.7Å; E409-R413 PolarHBondContact OE1-NH2 3.26Å; Y410-R413 PolarHBondContact O-N 3.47Å; Y410-R413 VanDerWaalsContact O-N 3.17Å; F411-R413 VanDerWaalsContact C-N 3.32Å; F411-R413 PolarHBondContact O-N 3.31Å; R413-I415 VanDerWaalsContact C-N 3.34Å; R413-I415 PolarHBondContact O-N 2.77Å; R413-K416 WeakPolarHBondContact O-CB 3.29Å; R413-K416 PolarHBondContact O-N 3.04Å; R413-K416 VanDerWaalsContact O-N 3.15Å; R413-E417 WeakPolarHBondContact O-CG 3.37Å; R413-E417 PolarHBondContact O-N 3.46Å
414I97.6Very high95.8Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-58.8-48.2175-64.7167.7000110.3M318 L323 F326 Y410 F411 K416 E417 V418M318-I414 HydrophobicContact CB-CG2 4.25Å; M318-I414 HydrophobicContact CE-CD1 3.93Å; M318-I414 HydrophobicContact CE-CG2 3.59Å; M318-I414 HydrophobicContact CG-CG2 3.84Å; M318-I414 HydrophobicContact SD-CG2 3.66Å; L323-I414 HydrophobicContact CD1-CD1 4.06Å; F326-I414 HydrophobicContact CD1-CD1 3.76Å; F326-I414 HydrophobicContact CD1-CG1 3.73Å; F326-I414 HydrophobicContact CD2-CG1 3.78Å; F326-I414 HydrophobicContact CE1-CD1 3.9Å; F326-I414 HydrophobicContact CE1-CG1 3.77Å; F326-I414 HydrophobicContact CE2-CG1 3.82Å; F326-I414 HydrophobicContact CG-CD1 4.18Å; F326-I414 HydrophobicContact CG-CG1 3.74Å; F326-I414 HydrophobicContact CZ-CD1 4.42Å; F326-I414 HydrophobicContact CZ-CG1 3.81Å; Y410-I414 WeakPolarHBondContact O-CG1 3.5Å; Y410-I414 PolarHBondContact O-N 2.72Å; Y410-I414 VanDerWaalsContact O-N 3.1Å; F411-I414 PolarHBondContact O-N 3.13Å; I414-K416 VanDerWaalsContact C-N 3.25Å; I414-K416 PolarHBondContact O-N 3.34Å; I414-E417 PolarHBondContact O-N 2.92Å; I414-E417 VanDerWaalsContact O-N 3.11Å; I414-V418 WeakPolarHBondContact O-CG2 3.25Å; I414-V418 PolarHBondContact O-N 3Å
415I97.8Very high95.8Very high2 Ų243.1 Ų43.11%0.0121%0.213CC..Hα-helixtrans-56.5-40.6176.8-68.7-51.8000111.5C317 F411 A412 R413 V418 A419 L456 M461 W463C317-I415 WeakPolarHBondContact SG-CD1 3.43Å; F411-I415 HydrophobicContact CD2-CG1 4.36Å; F411-I415 HydrophobicContact CE1-CG1 4.49Å; F411-I415 HydrophobicContact CE2-CD1 3.87Å; F411-I415 HydrophobicContact CE2-CG1 4.03Å; F411-I415 HydrophobicContact CZ-CD1 3.96Å; F411-I415 HydrophobicContact CZ-CG1 4.1Å; F411-I415 WeakPolarHBondContact O-CG1 3.17Å; F411-I415 PolarHBondContact O-N 3.16Å; A412-I415 PolarHBondContact O-N 2.93Å; R413-I415 VanDerWaalsContact C-N 3.34Å; R413-I415 PolarHBondContact O-N 2.77Å; I415-V418 PolarHBondContact O-N 3.04Å; I415-A419 WeakPolarHBondContact O-CB 3.34Å; I415-A419 PolarHBondContact O-N 3.02Å; I415-L456 HydrophobicContact CB-CD2 4.35Å; I415-L456 HydrophobicContact CG2-CD2 4.04Å; I415-M461 HydrophobicContact CG2-CE 4.24Å; I415-W463 HydrophobicContact CG2-CH2 3.67Å; I415-W463 HydrophobicContact CG2-CZ2 3.98Å
416K97.9Very high95.6Very high82 Ų8245.1 Ų45.136%0.35722%0.224SC..Hα-helixtrans-67.3-36.3177.2-73.6172.2-179.4177.10113.3A412 R413 I414 A419 S420 Q454 K455 L456A412-K416 WeakPolarHBondContact O-CG 3.36Å; A412-K416 PolarHBondContact O-N 3.32Å; R413-K416 WeakPolarHBondContact O-CB 3.29Å; R413-K416 PolarHBondContact O-N 3.04Å; R413-K416 VanDerWaalsContact O-N 3.15Å; I414-K416 VanDerWaalsContact C-N 3.25Å; I414-K416 PolarHBondContact O-N 3.34Å; K416-A419 PolarHBondContact O-N 3.42Å; K416-S420 WeakPolarHBondContact O-CB 3.28Å; K416-S420 PolarHBondContact O-N 3.21Å; K416-Q454 WeakPolarHBondContact CE-O 3.44Å; K416-Q454 PolarHBondContact NZ-O 2.86Å; K416-K455 WeakPolarHBondContact CE-O 3.49Å; K416-L456 HydrophobicContact CG-CD2 3.94Å
417E97.3Very high95.7Very high66 Ų6647.1 Ų47.131%0.30823%0.231SC..Hα-helixtrans-64.7-44.4174.9-70.6169.8-161.600110.2H322 F326 R413 I414 A419 S420 D421H322-E417 IonicContact CD2-OE2 3.67Å; H322-E417 IonicContact CE1-OE2 3.8Å; H322-E417 IonicContact NE2-OE2 3.26Å; H322-E417 PolarHBondContact NE2-OE2 3.05Å; F326-E417 WeakPolarHBondContact CE2-OE1 3.39Å; R413-E417 WeakPolarHBondContact O-CG 3.37Å; R413-E417 PolarHBondContact O-N 3.46Å; I414-E417 PolarHBondContact O-N 2.92Å; I414-E417 VanDerWaalsContact O-N 3.11Å; E417-A419 PolarHBondContact O-N 3.1Å; E417-S420 WeakPolarHBondContact O-CB 3.2Å; E417-S420 PolarHBondContact O-N 2.88Å; E417-D421 PolarHBondContact O-N 3.44Å
418V96.8Very high95.9Very high17 Ų1743.4 Ų43.410%0.10321%0.21CC..Hα-helixtrans-61.6-43.1172.9175.90000111.6M318 I414 I415 S420 D421 L422M318-V418 HydrophobicContact CB-CG2 3.82Å; I414-V418 WeakPolarHBondContact O-CG2 3.25Å; I414-V418 PolarHBondContact O-N 3Å; I415-V418 PolarHBondContact O-N 3.04Å; V418-S420 VanDerWaalsContact C-N 3.33Å; V418-S420 PolarHBondContact O-N 3.34Å; V418-D421 PolarHBondContact O-N 2.77Å; V418-L422 HydrophobicContact CG1-CD1 4.28Å; V418-L422 WeakPolarHBondContact O-CG 3.45Å; V418-L422 PolarHBondContact O-N 3.23Å
419A96.6Very high96Very high9 Ų944.7 Ų44.77%0.07422%0.215CC..Hα-helixtrans-60.5-43176.500000111.9I415 K416 E417 L422 E423 M461I415-A419 WeakPolarHBondContact O-CB 3.34Å; I415-A419 PolarHBondContact O-N 3.02Å; K416-A419 PolarHBondContact O-N 3.42Å; E417-A419 PolarHBondContact O-N 3.1Å; A419-L422 WeakPolarHBondContact O-CB 3.42Å; A419-L422 PolarHBondContact O-N 2.82Å; A419-E423 WeakPolarHBondContact O-CG 3.41Å; A419-E423 PolarHBondContact O-N 2.74Å; A419-M461 HydrophobicContact CB-SD 3.45Å; A419-M461 WeakPolarHBondContact CB-SD 3.29Å
420S96.8Very high96.1Very high67 Ų6743.3 Ų43.347%0.46921%0.21SC..Hα-helixtrans-62.7-42.3177.1-173.50000111.7K416 E417 V418 L422 E423 E424K416-S420 WeakPolarHBondContact O-CB 3.28Å; K416-S420 PolarHBondContact O-N 3.21Å; E417-S420 WeakPolarHBondContact O-CB 3.2Å; E417-S420 PolarHBondContact O-N 2.88Å; V418-S420 VanDerWaalsContact C-N 3.33Å; V418-S420 PolarHBondContact O-N 3.34Å; S420-L422 VanDerWaalsContact C-N 3.31Å; S420-L422 PolarHBondContact O-N 3.11Å; S420-E423 PolarHBondContact O-N 2.92Å; S420-E424 PolarHBondContact O-N 3.44Å
421D95Very high96.1Very high43 Ų4343.4 Ų43.423%0.2321%0.21CC..Hα-helixtrans-63.2-37.5175.7-79.2-23000111.6E417 V418 S425 K666E417-D421 PolarHBondContact O-N 3.44Å; V418-D421 PolarHBondContact O-N 2.77Å; D421-S425 WeakPolarHBondContact O-CB 3.42Å; D421-S425 PolarHBondContact O-N 3.07Å; D421-S425 PolarHBondContact O-OG 2.78Å; D421-K666 VanDerWaalsContact CG-CE 3.4Å; D421-K666 VanDerWaalsContact OD1-CE 3.31Å; D421-K666 WeakPolarHBondContact OD1-CE 3.41Å; D421-K666 IonicContact OD1-NZ 2.77Å; D421-K666 PolarHBondContact OD1-NZ 2.82Å; D421-K666 WeakPolarHBondContact OD2-CE 3.41Å; D421-K666 IonicContact OD2-NZ 3.46Å; D421-K666 PolarHBondContact OD2-NZ 3.23Å
422L95.3Very high96.1Very high24 Ų2443.2 Ų43.213%0.12621%0.21CC..Hα-helixtrans-68.9-37.8174.7-71.7171.2000112.7V418 A419 S420 S425 Q428 A430 N460 M461V418-L422 HydrophobicContact CG1-CD1 4.28Å; V418-L422 WeakPolarHBondContact O-CG 3.45Å; V418-L422 PolarHBondContact O-N 3.23Å; A419-L422 WeakPolarHBondContact O-CB 3.42Å; A419-L422 PolarHBondContact O-N 2.82Å; S420-L422 VanDerWaalsContact C-N 3.31Å; S420-L422 PolarHBondContact O-N 3.11Å; L422-S425 CarbonylContact O-C 3.46Å; L422-S425 PolarHBondContact O-N 3.1Å; L422-Q428 HydrophobicContact CD2-CB 4.02Å; L422-A430 HydrophobicContact CD1-CB 3.86Å; L422-N460 HydrophobicContact CB-CB 4.08Å; L422-N460 PolarHBondContact O-ND2 3.1Å; L422-M461 HydrophobicContact CD1-CG 3.79Å; L422-M461 HydrophobicContact CD1-SD 4.15Å
423E94.5Very high96.1Very high89 Ų8943.4 Ų43.442%0.41621%0.21SC..Hα-helixtrans-68.7-38.7176.7-74.7171.7-157.700112.2A419 S420 S425 S458 P459 N460A419-E423 WeakPolarHBondContact O-CG 3.41Å; A419-E423 PolarHBondContact O-N 2.74Å; S420-E423 PolarHBondContact O-N 2.92Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S458 VanDerWaalsContact OE1-CB 3.25Å; E423-S458 WeakPolarHBondContact OE1-CB 3.32Å; E423-S458 PolarHBondContact OE1-OG 3.18Å; E423-P459 HydrophobicContact CG-CG 4.25Å; E423-P459 WeakPolarHBondContact OE1-CD 3.39Å; E423-N460 HydrophobicContact CG-CB 4.47Å
424E94.1Very high96.1Very high154 Ų15439.8 Ų39.872%0.7220%0.197SC*.Hα-helixtrans-63.1-41.9170.2-172.2176.1-170.600110.4S420 K426S420-E424 PolarHBondContact O-N 3.44Å; E424-K426 PolarHBondContact O-N 2.63Å
425S91.7Very high96Very high35 Ų3541.3 Ų41.325%0.24521%0.208CC..SBendtrans-79.962.8174.8-57.70000112.2D421 L422 E423 Y427 Q428D421-S425 WeakPolarHBondContact O-CB 3.42Å; D421-S425 PolarHBondContact O-N 3.07Å; D421-S425 PolarHBondContact O-OG 2.78Å; L422-S425 CarbonylContact O-C 3.46Å; L422-S425 PolarHBondContact O-N 3.1Å; E423-S425 VanDerWaalsContact C-N 3.31Å; S425-Y427 PolarHBondContact O-N 2.87Å; S425-Q428 PolarHBondContact O-N 3.24Å
426K89.7Confident96Very high125 Ų12541.3 Ų41.354%0.54321%0.208SC..THydrogen-bonded Turntrans-32.6-32.7-173.3-177.7175.9-179175.90118.2E424E424-K426 PolarHBondContact O-N 2.63Å
427Y95.3Very high95.8Very high56 Ų5640 Ų4022%0.2220%0.201CC..THydrogen-bonded Turntrans-99.4-1.5-174-58.7-74000114.7Y303 N304 V305 R306 K307 S425Y303-Y427 WeakPolarHBondContact O-CD2 3.43Å; N304-Y427 HydrophobicContact CB-CD1 4.41Å; N304-Y427 HydrophobicContact CB-CD2 4.19Å; N304-Y427 HydrophobicContact CB-CE1 3.89Å; N304-Y427 HydrophobicContact CB-CE2 3.65Å; N304-Y427 VanDerWaalsContact CB-CZ 3.46Å; N304-Y427 VanDerWaalsContact O-CD1 3.25Å; N304-Y427 WeakPolarHBondContact O-CD1 3.34Å; N304-Y427 WeakPolarHBondContact O-CE1 3.47Å; V305-Y427 WeakPolarHBondContact O-CB 3.14Å; R306-Y427 WeakPolarHBondContact CA-O 3.47Å; R306-Y427 HydrophobicContact CG-CD1 4.44Å; K307-Y427 PolarHBondContact N-O 3.11Å; S425-Y427 PolarHBondContact O-N 2.87Å
428Q96.1Very high95.7Very high21 Ų2136.9 Ų36.910%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-106.9134.9-179.2-62.3-17671.500110.5L422 S425 N460 E667L422-Q428 HydrophobicContact CD2-CB 4.02Å; S425-Q428 PolarHBondContact O-N 3.24Å; Q428-N460 PolarHBondContact O-ND2 3.3Å; Q428-E667 PolarHBondContact NE2-OE1 2.97Å
429Y97.8Very high95.5Very high28 Ų2841.7 Ų41.711%0.1120%0.202CC..EExtended strand (participates in β ladder)trans-132.7158.8-179.7-69.3-102.6000108.7R306 K307 V308 D309 N460 L700 F708R306-Y429 HydrophobicContact CG-CE2 3.99Å; K307-Y429 PolarHBondContact O-N 2.62Å; V308-Y429 CarbonylContact C-O 3.59Å; V308-Y429 WeakPolarHBondContact CA-O 3.37Å; D309-Y429 PolarHBondContact N-O 3.23Å; Y429-N460 CarbonylContact C-O 3.13Å; Y429-N460 VanDerWaalsContact CA-O 3.24Å; Y429-N460 WeakPolarHBondContact CA-O 3.38Å; Y429-N460 HydrophobicContact CD1-CB 4.1Å; Y429-N460 HydrophobicContact CE1-CB 4.22Å; Y429-L700 HydrophobicContact CD1-CD2 4.29Å; Y429-F708 HydrophobicContact CE1-CE2 4.06Å; Y429-F708 AromaticContact CE1-CZ 3.92Å; Y429-F708 HydrophobicContact CE1-CZ 3.92Å; Y429-F708 HydrophobicContact CE2-CE2 4.05Å; Y429-F708 AromaticContact CE2-CZ 3.97Å; Y429-F708 HydrophobicContact CE2-CZ 3.97Å; Y429-F708 AromaticContact CZ-CE2 3.8Å; Y429-F708 AromaticContact CZ-CZ 3.44Å; Y429-F708 VanDerWaalsContact CZ-CZ 3.44Å; Y429-F708 VanDerWaalsContact OH-CZ 3.23Å; Y429-F708 WeakPolarHBondContact OH-CZ 3.49Å
430A97.8Very high95.4Very high7 Ų743.1 Ų43.16%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-141.7152.8178.100000112.4D309 I312 L422 P432 N460 M461 R462D309-A430 HydrophobicContact CB-CB 4.23Å; I312-A430 HydrophobicContact CG2-CB 4.36Å; L422-A430 HydrophobicContact CD1-CB 3.86Å; A430-P432 VanDerWaalsContact C-CD 3.49Å; A430-P432 HydrophobicContact CB-CG 4.31Å; A430-N460 PolarHBondContact N-O 3.01Å; A430-M461 WeakPolarHBondContact O-CA 3.43Å; A430-R462 PolarHBondContact O-N 3.01Å
431E97.4Very high95.3Very high2 Ų242 Ų421%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-121.672.7171.1-59.5-165.4100.400112.6V308 D309 R433 R462 M464 S515 R578 S698 G699V308-E431 HydrophobicContact CG1-CG 4.1Å; D309-E431 PolarHBondContact O-N 3.15Å; E431-R433 PolarHBondContact O-NH1 2.94Å; E431-R433 VanDerWaalsContact O-NH1 3.16Å; E431-R462 CarbonylContact C-O 3.54Å; E431-R462 VanDerWaalsContact CA-O 3.28Å; E431-R462 WeakPolarHBondContact CA-O 3.21Å; E431-R462 HydrophobicContact CG-CB 4.14Å; E431-M464 HydrophobicContact CB-CG 4.38Å; E431-S515 PolarHBondContact OE1-OG 3.3Å; E431-R578 IonicContact OE1-NH1 3.1Å; E431-R578 IonicContact OE2-CZ 2.77Å; E431-R578 IonicContact OE2-NH1 2.74Å; E431-R578 PolarHBondContact OE2-NH1 3.27Å; E431-R578 IonicContact OE2-NH2 3.47Å; E431-R578 PolarHBondContact OE2-NH2 3.18Å; E431-S698 VanDerWaalsContact OE2-CA 3.28Å; E431-S698 WeakPolarHBondContact OE2-CA 3.49Å; E431-G699 VanDerWaalsContact CD-N 3.32Å; E431-G699 VanDerWaalsContact OE1-CA 3.22Å; E431-G699 WeakPolarHBondContact OE1-CA 3.33Å; E431-G699 PolarHBondContact OE1-N 3.34Å; E431-G699 PolarHBondContact OE2-N 3.35Å
432P97.7Very high95.3Very high1 Ų144.2 Ų44.21%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-66.2143.5-178.2-19.433.3000113.5I312 A314 A430 M461 R462 W463 M464I312-P432 HydrophobicContact CG2-CB 4.2Å; I312-P432 HydrophobicContact CG2-CG 4.05Å; I312-P432 CarbonylContact O-C 3.52Å; I312-P432 WeakPolarHBondContact O-CA 3.45Å; A314-P432 HydrophobicContact CB-CB 3.83Å; A430-P432 VanDerWaalsContact C-CD 3.49Å; A430-P432 HydrophobicContact CB-CG 4.31Å; P432-M461 HydrophobicContact CG-CE 3.53Å; P432-R462 WeakPolarHBondContact CD-O 3.49Å; P432-W463 HydrophobicContact CB-CE3 4.16Å; P432-W463 HydrophobicContact CB-CZ3 3.87Å; P432-W463 HydrophobicContact CG-CZ3 4.4Å; P432-M464 PolarHBondContact O-N 2.8Å
433R97.9Very high95.3Very high3 Ų343.9 Ų43.91%0.01121%0.212CC..EExtended strand (participates in β ladder)trans-95.2122.9-179.3-68.5155.7173.969.1-11112T310 H311 I312 A314 E431 M464 Q466 D518 S601T310-R433 PolarHBondContact O-NH1 3.38Å; T310-R433 PolarHBondContact O-NH2 3.42Å; H311-R433 VanDerWaalsContact CA-NH1 3.34Å; H311-R433 PolarHBondContact CD2-NE 2.63Å; H311-R433 PolarHBondContact CD2-NH2 3.22Å; H311-R433 VanDerWaalsContact CD2-NH2 3.32Å; I312-R433 PolarHBondContact O-N 3.27Å; A314-R433 WeakPolarHBondContact CB-O 3.29Å; A314-R433 PolarHBondContact N-O 2.67Å; E431-R433 PolarHBondContact O-NH1 2.94Å; E431-R433 VanDerWaalsContact O-NH1 3.16Å; R433-M464 CarbonylContact C-O 3.49Å; R433-M464 VanDerWaalsContact CA-O 3.3Å; R433-M464 WeakPolarHBondContact CA-O 3.46Å; R433-M464 HydrophobicContact CB-CB 4.49Å; R433-M464 HydrophobicContact CG-CB 3.66Å; R433-Q466 HydrophobicContact CB-CB 4.09Å; R433-Q466 HydrophobicContact CB-CG 4.11Å; R433-D518 WeakPolarHBondContact CD-OD2 3.47Å; R433-D518 IonicContact CZ-OD2 3.73Å; R433-D518 IonicContact NE-OD2 3.62Å; R433-D518 PolarHBondContact NE-OD2 2.85Å; R433-D518 IonicContact NH2-OD2 2.7Å; R433-S601 PolarHBondContact NH2-OG 2.82Å
434L97.3Very high95.4Very high5 Ų539.6 Ų39.63%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-99.4140.8171.5-67.8165.9000109.8A314 T402 F411 L447 W450 W463 M464 I465 Q466 F510A314-L434 HydrophobicContact CB-CD2 3.87Å; A314-L434 HydrophobicContact CB-CG 4.4Å; T402-L434 HydrophobicContact CG2-CD2 4.23Å; F411-L434 HydrophobicContact CE1-CD2 4.38Å; L434-L447 HydrophobicContact CB-CD2 4.14Å; L434-L447 HydrophobicContact CD1-CD1 4.23Å; L434-L447 HydrophobicContact CD1-CD2 4.44Å; L434-W450 HydrophobicContact CD1-CZ3 4.07Å; L434-W450 HydrophobicContact CD2-CH2 4.12Å; L434-W450 HydrophobicContact CD2-CZ3 3.89Å; L434-W463 HydrophobicContact CD1-CD2 3.87Å; L434-W463 HydrophobicContact CD1-CE3 3.34Å; L434-W463 HydrophobicContact CD1-CG 4.44Å; L434-W463 HydrophobicContact CD1-CZ3 3.7Å; L434-W463 HydrophobicContact CD2-CE3 4.27Å; L434-W463 HydrophobicContact CD2-CZ3 3.88Å; L434-W463 HydrophobicContact CG-CE3 3.54Å; L434-W463 HydrophobicContact CG-CZ3 3.66Å; L434-M464 PolarHBondContact N-O 2.97Å; L434-I465 HydrophobicContact CB-CD1 4.2Å; L434-I465 CarbonylContact O-C 3.58Å; L434-I465 WeakPolarHBondContact O-CA 3.47Å; L434-Q466 PolarHBondContact O-N 2.84Å; L434-F510 HydrophobicContact CD1-CE2 4.47Å; L434-F510 HydrophobicContact CD1-CZ 4.09Å
435S95.9Very high95.5Very high32 Ų3234.6 Ų34.622%0.22417%0.17CC..EExtended strand (participates in β ladder)trans-86.5131.5-175.9-59.90000112.2Q466S435-Q466 WeakPolarHBondContact CA-O 3.32Å; S435-Q466 WeakPolarHBondContact OG-CG 3.42Å; S435-Q466 PolarHBondContact OG-NE2 3.4Å
436I97.3Very high95.7Very high2 Ų235.3 Ų35.31%0.0118%0.175CC..  trans-117.6118.7157.7-67.1-69000106.7E443 W444 L447 I465 Q466 V467 I490I436-E443 HydrophobicContact CD1-CB 3.87Å; I436-W444 HydrophobicContact CD1-CD2 4.09Å; I436-W444 HydrophobicContact CD1-CE3 4.34Å; I436-W444 HydrophobicContact CD1-CG 4.36Å; I436-W444 HydrophobicContact CG1-CD2 4.21Å; I436-W444 HydrophobicContact CG1-CE3 4.4Å; I436-W444 HydrophobicContact CG1-CH2 4.29Å; I436-W444 HydrophobicContact CG1-CZ2 4.03Å; I436-W444 HydrophobicContact CG1-CZ3 4.44Å; I436-W444 HydrophobicContact CG2-CZ2 4.48Å; I436-L447 HydrophobicContact CD1-CB 4.37Å; I436-L447 HydrophobicContact CD1-CD2 3.75Å; I436-L447 HydrophobicContact CG1-CD2 4.14Å; I436-I465 HydrophobicContact CB-CG2 3.85Å; I436-I465 HydrophobicContact CG1-CD1 4.45Å; I436-I465 HydrophobicContact CG1-CG2 3.68Å; I436-Q466 PolarHBondContact N-O 3.44Å; I436-V467 WeakPolarHBondContact O-CA 3.23Å; I436-I490 HydrophobicContact CG2-CG1 4.33Å
437Y94.4Very high96.1Very high54 Ų5429.7 Ų29.721%0.21215%0.151CC..  trans-85.8-29.9-173.8-65.2-79.7000112.3K401 E443 P468 I470 F474K401-Y437 PolarHBondContact NZ-OH 2.85Å; Y437-E443 PolarHBondContact N-OE2 3.45Å; Y437-P468 HydrophobicContact CD1-CB 4.46Å; Y437-P468 HydrophobicContact CD1-CG 3.87Å; Y437-P468 HydrophobicContact CE1-CG 3.87Å; Y437-I470 HydrophobicContact CD1-CD1 4.24Å; Y437-F474 HydrophobicContact CD1-CZ 4.2Å; Y437-F474 HydrophobicContact CG-CZ 4.41Å; Y437-F474 VanDerWaalsContact O-CE2 3.28Å; Y437-F474 WeakPolarHBondContact O-CE2 3.35Å
438G94.6Very high96.2Very high0 Ų027 Ų270%014%0.141CC..SBendtrans79.724.6-174.600000113.5E443 N489G438-E443 PolarHBondContact N-OE1 2.74Å; G438-E443 PolarHBondContact N-OE2 2.91Å; G438-N489 WeakPolarHBondContact O-CB 3.42Å; G438-N489 PolarHBondContact O-ND2 3.13Å
439R92.9Very high96.2Very high118 Ų11830.6 Ų30.645%0.44516%0.156SC..SBendtrans-76.8-32.7174.388.9-145.3163.7136.2-5.1111.9D403 E443 N489D403-R439 IonicContact OD2-NH2 3.75Å; D403-R439 PolarHBondContact OD2-NH2 3.38Å; D403-R439 VanDerWaalsContact OD2-NH2 3.15Å; R439-E443 WeakPolarHBondContact CA-OE1 3.45Å; R439-E443 WeakPolarHBondContact CB-OE1 3.24Å; R439-E443 VanDerWaalsContact CD-OE1 3.29Å; R439-E443 WeakPolarHBondContact CD-OE1 3.41Å; R439-E443 HydrophobicContact CG-CG 4.45Å; R439-E443 WeakPolarHBondContact CG-OE1 3.41Å; R439-E443 PolarHBondContact N-OE1 2.79Å; R439-E443 IonicContact NE-OE1 3.44Å; R439-N489 VanDerWaalsContact C-ND2 3.3Å; R439-N489 PolarHBondContact O-ND2 3.38Å
440S94.3Very high96.2Very high39 Ų3929.5 Ų29.527%0.27315%0.152SC..  trans-148.8152.5179.8176.10000110.5D442 E443 N489S440-D442 PolarHBondContact O-N 3.33Å; S440-D442 PolarHBondContact OG-N 3.4Å; S440-E443 PolarHBondContact N-OE1 2.95Å; S440-N489 PolarHBondContact N-ND2 2.88Å
441T93.7Very high96.2Very high44 Ų4429.2 Ų29.227%0.2715%0.149SC..THydrogen-bonded Turntrans-63.7-22.5171.348.90000113E443 N489 P493T441-E443 VanDerWaalsContact C-N 3.29Å; T441-E443 PolarHBondContact O-N 2.87Å; T441-N489 WeakPolarHBondContact CG2-OD1 3.27Å; T441-P493 HydrophobicContact CG2-CG 4.25Å
442D94.9Very high96.1Very high90 Ų9030.4 Ų30.448%0.48116%0.156SC..THydrogen-bonded Turntrans-76.6-15.1-175.2-63.9-37.8000113.6S440 W444 N445 S446S440-D442 PolarHBondContact O-N 3.33Å; S440-D442 PolarHBondContact OG-N 3.4Å; D442-W444 VanDerWaalsContact C-N 3.25Å; D442-W444 PolarHBondContact O-N 3.36Å; D442-N445 PolarHBondContact O-N 2.85Å; D442-S446 PolarHBondContact O-N 3.44Å; D442-S446 PolarHBondContact O-OG 3.09Å
443E96.1Very high96Very high16 Ų1636.5 Ų36.58%0.07518%0.184CC..Hα-helixtrans-54.7-41.3-179.3-71.3-176.3-140.400112.5I436 Y437 G438 R439 S440 T441 S446 L447I436-E443 HydrophobicContact CD1-CB 3.87Å; Y437-E443 PolarHBondContact N-OE2 3.45Å; G438-E443 PolarHBondContact N-OE1 2.74Å; G438-E443 PolarHBondContact N-OE2 2.91Å; R439-E443 WeakPolarHBondContact CA-OE1 3.45Å; R439-E443 WeakPolarHBondContact CB-OE1 3.24Å; R439-E443 VanDerWaalsContact CD-OE1 3.29Å; R439-E443 WeakPolarHBondContact CD-OE1 3.41Å; R439-E443 HydrophobicContact CG-CG 4.45Å; R439-E443 WeakPolarHBondContact CG-OE1 3.41Å; R439-E443 PolarHBondContact N-OE1 2.79Å; R439-E443 IonicContact NE-OE1 3.44Å; S440-E443 PolarHBondContact N-OE1 2.95Å; T441-E443 VanDerWaalsContact C-N 3.29Å; T441-E443 PolarHBondContact O-N 2.87Å; E443-S446 PolarHBondContact O-N 3.3Å; E443-L447 VanDerWaalsContact O-CB 3.3Å; E443-L447 WeakPolarHBondContact O-CB 3.27Å; E443-L447 PolarHBondContact O-N 3.47Å
444W97.4Very high96Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-63.9-42.2176.7-79.6108.2000113I436 D442 L447 A448 I465 I490 P493 L494 L507 F510 L511 F517I436-W444 HydrophobicContact CD1-CD2 4.09Å; I436-W444 HydrophobicContact CD1-CE3 4.34Å; I436-W444 HydrophobicContact CD1-CG 4.36Å; I436-W444 HydrophobicContact CG1-CD2 4.21Å; I436-W444 HydrophobicContact CG1-CE3 4.4Å; I436-W444 HydrophobicContact CG1-CH2 4.29Å; I436-W444 HydrophobicContact CG1-CZ2 4.03Å; I436-W444 HydrophobicContact CG1-CZ3 4.44Å; I436-W444 HydrophobicContact CG2-CZ2 4.48Å; D442-W444 VanDerWaalsContact C-N 3.25Å; D442-W444 PolarHBondContact O-N 3.36Å; W444-L447 PolarHBondContact O-N 3.1Å; W444-A448 VanDerWaalsContact O-CB 3.24Å; W444-A448 WeakPolarHBondContact O-CB 3.41Å; W444-A448 PolarHBondContact O-N 3.15Å; W444-I465 HydrophobicContact CH2-CB 4.17Å; W444-I465 HydrophobicContact CH2-CD1 4.12Å; W444-I465 HydrophobicContact CH2-CG1 3.65Å; W444-I465 HydrophobicContact CH2-CG2 3.85Å; W444-I465 HydrophobicContact CZ2-CG2 4.13Å; W444-I465 HydrophobicContact CZ3-CD1 4.02Å; W444-I465 HydrophobicContact CZ3-CG1 3.97Å; W444-I490 PolarHBondContact NE1-O 3.4Å; W444-P493 HydrophobicContact CB-CB 4.2Å; W444-P493 HydrophobicContact CG-CB 4.17Å; W444-L494 HydrophobicContact CD2-CD2 3.83Å; W444-L494 HydrophobicContact CE3-CD2 3.95Å; W444-L494 HydrophobicContact CH2-CD1 4.19Å; W444-L494 HydrophobicContact CH2-CD2 3.7Å; W444-L494 HydrophobicContact CH2-CG 4.4Å; W444-L494 HydrophobicContact CZ2-CD1 3.7Å; W444-L494 HydrophobicContact CZ2-CD2 3.63Å; W444-L494 HydrophobicContact CZ2-CG 3.91Å; W444-L494 HydrophobicContact CZ3-CD2 3.88Å; W444-L507 HydrophobicContact CB-CD1 4.1Å; W444-L507 HydrophobicContact CB-CD2 4.06Å; W444-L507 HydrophobicContact CD2-CD1 4.37Å; W444-L507 HydrophobicContact CE3-CD1 3.78Å; W444-F510 HydrophobicContact CE3-CE1 4.43Å; W444-F510 HydrophobicContact CZ3-CE1 4.23Å; W444-L511 HydrophobicContact CH2-CD2 4.49Å; W444-L511 HydrophobicContact CZ3-CD2 4.01Å; W444-F517 AromaticContact CH2-CE1 3.94Å; W444-F517 HydrophobicContact CH2-CE1 3.94Å; W444-F517 HydrophobicContact CH2-CZ 4.09Å; W444-F517 AromaticContact CZ2-CE1 3.89Å; W444-F517 HydrophobicContact CZ2-CE1 3.89Å; W444-F517 HydrophobicContact CZ2-CZ 4.23Å
445N96.2Very high95.9Very high48 Ų4844.2 Ų44.226%0.25722%0.218SC..Hα-helixtrans-67.6-42.5179.6-69.9-33.6000110.5D442 K449D442-N445 PolarHBondContact O-N 2.85Å; N445-K449 WeakPolarHBondContact O-CB 3.04Å; N445-K449 VanDerWaalsContact O-CG 3.23Å; N445-K449 WeakPolarHBondContact O-CG 3.48Å; N445-K449 PolarHBondContact O-N 2.84Å
446S96.1Very high95.9Very high51 Ų5143 Ų4336%0.35721%0.209SC..Hα-helixtrans-62.8-45.4175.8-62.40000111.6D442 E443 K449 W450D442-S446 PolarHBondContact O-N 3.44Å; D442-S446 PolarHBondContact O-OG 3.09Å; E443-S446 PolarHBondContact O-N 3.3Å; S446-K449 PolarHBondContact O-N 2.89Å; S446-W450 WeakPolarHBondContact O-CB 3.49Å; S446-W450 PolarHBondContact O-N 3.18Å
447L97.4Very high95.8Very high6 Ų645 Ų453%0.03122%0.218CC..Hα-helixtrans-66.3-43.1179.9-172.362.3000112.3T402 L434 I436 E443 W444 W450 F451 I465 F510T402-L447 HydrophobicContact CG2-CD1 3.91Å; L434-L447 HydrophobicContact CB-CD2 4.14Å; L434-L447 HydrophobicContact CD1-CD1 4.23Å; L434-L447 HydrophobicContact CD1-CD2 4.44Å; I436-L447 HydrophobicContact CD1-CB 4.37Å; I436-L447 HydrophobicContact CD1-CD2 3.75Å; I436-L447 HydrophobicContact CG1-CD2 4.14Å; E443-L447 VanDerWaalsContact O-CB 3.3Å; E443-L447 WeakPolarHBondContact O-CB 3.27Å; E443-L447 PolarHBondContact O-N 3.47Å; W444-L447 PolarHBondContact O-N 3.1Å; L447-W450 HydrophobicContact CD1-CE3 3.81Å; L447-W450 HydrophobicContact CD1-CZ3 4.2Å; L447-W450 WeakPolarHBondContact O-CB 3.47Å; L447-W450 PolarHBondContact O-N 2.87Å; L447-F451 PolarHBondContact O-N 2.99Å; L447-I465 HydrophobicContact CD2-CD1 3.95Å; L447-F510 HydrophobicContact CD2-CE1 3.85Å; L447-F510 HydrophobicContact CD2-CZ 3.94Å; L447-F510 HydrophobicContact CG-CE1 3.92Å; L447-F510 HydrophobicContact CG-CZ 3.94Å
448A97.4Very high95.8Very high1 Ų142.4 Ų42.41%0.00821%0.208CC..Hα-helixtrans-63.3-44.2176.100000111.6W444 W450 F451 I452 E506 L507 F510W444-A448 VanDerWaalsContact O-CB 3.24Å; W444-A448 WeakPolarHBondContact O-CB 3.41Å; W444-A448 PolarHBondContact O-N 3.15Å; A448-W450 PolarHBondContact O-N 2.81Å; A448-F451 PolarHBondContact O-N 2.81Å; A448-I452 VanDerWaalsContact O-CG1 3.32Å; A448-I452 WeakPolarHBondContact O-CG1 3.5Å; A448-I452 PolarHBondContact O-N 3.37Å; A448-E506 HydrophobicContact CB-CB 4.31Å; A448-L507 HydrophobicContact CB-CB 4.18Å; A448-L507 HydrophobicContact CB-CD1 4.18Å; A448-F510 HydrophobicContact CB-CB 3.88Å; A448-F510 HydrophobicContact CB-CD1 4Å; A448-F510 HydrophobicContact CB-CG 4.19Å
449K96.7Very high95.7Very high95 Ų9545 Ų4541%0.41322%0.224SC..Hα-helixtrans-59.9-45.4174.8-77.1174.3-179.3179.10111.7N445 S446 F451 I452 Q453N445-K449 WeakPolarHBondContact O-CB 3.04Å; N445-K449 VanDerWaalsContact O-CG 3.23Å; N445-K449 WeakPolarHBondContact O-CG 3.48Å; N445-K449 PolarHBondContact O-N 2.84Å; S446-K449 PolarHBondContact O-N 2.89Å; K449-F451 PolarHBondContact O-N 3.3Å; K449-I452 PolarHBondContact O-N 2.75Å; K449-Q453 VanDerWaalsContact O-CB 3.23Å; K449-Q453 WeakPolarHBondContact O-CB 3.47Å; K449-Q453 VanDerWaalsContact O-CG 3.23Å; K449-Q453 WeakPolarHBondContact O-CG 3.48Å; K449-Q453 PolarHBondContact O-N 3.44Å
450W97.4Very high95.9Very high6 Ų639.9 Ų39.92%0.02321%0.206CC..Hα-helixtrans-56.2-49175.2173.679.2000111.3T402 N407 G408 F411 A412 L434 S446 L447 A448 I452 Q454 L456T402-W450 HydrophobicContact CG2-CD2 3.87Å; T402-W450 HydrophobicContact CG2-CE3 3.83Å; T402-W450 HydrophobicContact CG2-CH2 3.75Å; T402-W450 HydrophobicContact CG2-CZ2 3.81Å; T402-W450 HydrophobicContact CG2-CZ3 3.76Å; N407-W450 VanDerWaalsContact O-CD1 3.28Å; G408-W450 PolarHBondContact O-NE1 2.83Å; F411-W450 AromaticContact CD1-CH2 3.97Å; F411-W450 HydrophobicContact CD1-CH2 3.97Å; F411-W450 AromaticContact CD1-CZ2 3.57Å; F411-W450 HydrophobicContact CD1-CZ2 3.57Å; F411-W450 AromaticContact CE1-CH2 3.94Å; F411-W450 HydrophobicContact CE1-CH2 3.94Å; F411-W450 HydrophobicContact CE1-CZ2 4.04Å; F411-W450 HydrophobicContact CG-CZ2 4.38Å; A412-W450 HydrophobicContact CB-CZ2 4.02Å; L434-W450 HydrophobicContact CD1-CZ3 4.07Å; L434-W450 HydrophobicContact CD2-CH2 4.12Å; L434-W450 HydrophobicContact CD2-CZ3 3.89Å; S446-W450 WeakPolarHBondContact O-CB 3.49Å; S446-W450 PolarHBondContact O-N 3.18Å; L447-W450 HydrophobicContact CD1-CE3 3.81Å; L447-W450 HydrophobicContact CD1-CZ3 4.2Å; L447-W450 WeakPolarHBondContact O-CB 3.47Å; L447-W450 PolarHBondContact O-N 2.87Å; A448-W450 PolarHBondContact O-N 2.81Å; W450-I452 PolarHBondContact O-N 3.15Å; W450-Q454 HydrophobicContact CG-CG 4.4Å; W450-Q454 WeakPolarHBondContact O-CB 3.41Å; W450-Q454 VanDerWaalsContact O-CG 3.27Å; W450-Q454 WeakPolarHBondContact O-CG 3.22Å; W450-Q454 PolarHBondContact O-N 2.93Å; W450-L456 HydrophobicContact CD2-CD1 3.79Å; W450-L456 HydrophobicContact CE3-CD1 3.59Å; W450-L456 HydrophobicContact CH2-CD1 3.17Å; W450-L456 HydrophobicContact CZ2-CD1 3.35Å; W450-L456 HydrophobicContact CZ3-CD1 3.29Å
451F97.3Very high95.9Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-58.2-45.7179.2177.8-95000113.4Y203 L447 A448 K449 K455 L456 H457 W463 F510 Y513Y203-F451 HydrophobicContact CD1-CE1 4.37Å; Y203-F451 HydrophobicContact CE1-CD1 4.29Å; Y203-F451 AromaticContact CE1-CE1 3.76Å; Y203-F451 HydrophobicContact CE1-CE1 3.76Å; Y203-F451 HydrophobicContact CE1-CZ 4.3Å; L447-F451 PolarHBondContact O-N 2.99Å; A448-F451 PolarHBondContact O-N 2.81Å; K449-F451 PolarHBondContact O-N 3.3Å; F451-K455 PolarHBondContact O-N 3.35Å; F451-L456 HydrophobicContact CD2-CB 3.68Å; F451-L456 HydrophobicContact CE2-CB 3.87Å; F451-L456 WeakPolarHBondContact CE2-O 3.37Å; F451-L456 PolarHBondContact O-N 3.36Å; F451-H457 HydrophobicContact CZ-CB 4.38Å; F451-W463 AromaticContact CE2-CD1 3.89Å; F451-W463 AromaticContact CE2-NE1 3.45Å; F451-F510 HydrophobicContact CB-CD2 3.66Å; F451-F510 HydrophobicContact CB-CE2 3.83Å; F451-F510 HydrophobicContact CB-CG 4.39Å; F451-F510 HydrophobicContact CD1-CB 4.36Å; F451-F510 AromaticContact CD1-CD2 3.52Å; F451-F510 HydrophobicContact CD1-CD2 3.52Å; F451-F510 HydrophobicContact CD1-CE2 4.27Å; F451-F510 HydrophobicContact CD1-CG 4.35Å; F451-F510 AromaticContact CD2-CD2 3.82Å; F451-F510 HydrophobicContact CD2-CD2 3.82Å; F451-F510 AromaticContact CD2-CE2 3.72Å; F451-F510 HydrophobicContact CD2-CE2 3.72Å; F451-F510 HydrophobicContact CE1-CD2 4.09Å; F451-F510 HydrophobicContact CE2-CD2 4.37Å; F451-F510 HydrophobicContact CE2-CE2 4.38Å; F451-F510 AromaticContact CG-CD2 3.37Å; F451-F510 HydrophobicContact CG-CD2 3.37Å; F451-F510 AromaticContact CG-CE2 3.67Å; F451-F510 HydrophobicContact CG-CE2 3.67Å; F451-F510 HydrophobicContact CG-CG 4.39Å; F451-F510 HydrophobicContact CZ-CD2 4.49Å; F451-Y513 AromaticContact CE1-CD2 3.61Å; F451-Y513 HydrophobicContact CE1-CD2 3.61Å; F451-Y513 HydrophobicContact CE1-CE2 4.01Å; F451-Y513 HydrophobicContact CE1-CG 4.36Å; F451-Y513 AromaticContact CZ-CD2 3.68Å; F451-Y513 HydrophobicContact CZ-CD2 3.68Å; F451-Y513 HydrophobicContact CZ-CE2 4.25Å; F451-Y513 AromaticContact CZ-CG 3.98Å; F451-Y513 HydrophobicContact CZ-CG 3.98Å
452I96.1Very high96Very high28 Ų2836.8 Ų36.814%0.14418%0.184CC..Hα-helixtrans-72.9-51.7-178.6-59.3-63000111.2Y203 M205 A448 K449 W450 Q454 K455 E506 V509Y203-I452 HydrophobicContact CD1-CD1 3.54Å; Y203-I452 HydrophobicContact CE1-CD1 4.24Å; Y203-I452 HydrophobicContact CG-CD1 4.45Å; M205-I452 HydrophobicContact CE-CD1 4.06Å; M205-I452 HydrophobicContact CE-CG1 4.23Å; M205-I452 HydrophobicContact CE-CG2 4.26Å; A448-I452 VanDerWaalsContact O-CG1 3.32Å; A448-I452 WeakPolarHBondContact O-CG1 3.5Å; A448-I452 PolarHBondContact O-N 3.37Å; K449-I452 PolarHBondContact O-N 2.75Å; W450-I452 PolarHBondContact O-N 3.15Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.99Å; I452-K455 PolarHBondContact O-N 3.28Å; I452-E506 HydrophobicContact CG1-CB 4.2Å; I452-V509 HydrophobicContact CD1-CB 4.19Å; I452-V509 HydrophobicContact CD1-CG1 3.69Å
453Q95.6Very high96.1Very high129 Ų12932.6 Ų32.660%0.60316%0.161SC*.Hα-helixtrans-62.2-41-176.8-71.3177.3-9.800111.5K449 K455K449-Q453 VanDerWaalsContact O-CB 3.23Å; K449-Q453 WeakPolarHBondContact O-CB 3.47Å; K449-Q453 VanDerWaalsContact O-CG 3.23Å; K449-Q453 WeakPolarHBondContact O-CG 3.48Å; K449-Q453 PolarHBondContact O-N 3.44Å; Q453-K455 VanDerWaalsContact C-N 3.29Å; Q453-K455 PolarHBondContact O-N 2.97Å
454Q96.5Very high96.2Very high31 Ų3131.8 Ų31.815%0.14516%0.158CC..THydrogen-bonded Turntrans-81.9-5.4178.6-60-62.6-2200112.7A412 K416 W450 I452 L456A412-Q454 HydrophobicContact CB-CB 3.59Å; A412-Q454 HydrophobicContact CB-CG 3.61Å; K416-Q454 WeakPolarHBondContact CE-O 3.44Å; K416-Q454 PolarHBondContact NZ-O 2.86Å; W450-Q454 HydrophobicContact CG-CG 4.4Å; W450-Q454 WeakPolarHBondContact O-CB 3.41Å; W450-Q454 VanDerWaalsContact O-CG 3.27Å; W450-Q454 WeakPolarHBondContact O-CG 3.22Å; W450-Q454 PolarHBondContact O-N 2.93Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.99Å; Q454-L456 HydrophobicContact CB-CD1 4.15Å; Q454-L456 HydrophobicContact CB-CD2 4.3Å; Q454-L456 HydrophobicContact CB-CG 3.9Å
455K95.8Very high96.2Very high139 Ų13931.8 Ų31.860%0.60416%0.158SC*.THydrogen-bonded Turntrans51.265.9-179.2-59.3-173.4176.5-172.30113.4Y203 K416 F451 I452 Q453Y203-K455 HydrophobicContact CD2-CG 4.39Å; Y203-K455 HydrophobicContact CE2-CB 3.84Å; Y203-K455 HydrophobicContact CE2-CD 4.37Å; Y203-K455 HydrophobicContact CE2-CG 3.85Å; Y203-K455 WeakPolarHBondContact OH-CA 3.41Å; Y203-K455 PolarHBondContact OH-O 3.08Å; K416-K455 WeakPolarHBondContact CE-O 3.49Å; F451-K455 PolarHBondContact O-N 3.35Å; I452-K455 PolarHBondContact O-N 3.28Å; Q453-K455 VanDerWaalsContact C-N 3.29Å; Q453-K455 PolarHBondContact O-N 2.97Å
456L95.8Very high96.3Very high7 Ų730.5 Ų30.54%0.03715%0.15CC..  trans-97.823.9-173.7-65.5177.8000115.6Y203 A412 I415 K416 W450 F451 Q454 W463Y203-L456 PolarHBondContact OH-N 2.92Å; A412-L456 HydrophobicContact CB-CD1 4.22Å; A412-L456 HydrophobicContact CB-CD2 3.86Å; A412-L456 HydrophobicContact CB-CG 4.45Å; I415-L456 HydrophobicContact CB-CD2 4.35Å; I415-L456 HydrophobicContact CG2-CD2 4.04Å; K416-L456 HydrophobicContact CG-CD2 3.94Å; W450-L456 HydrophobicContact CD2-CD1 3.79Å; W450-L456 HydrophobicContact CE3-CD1 3.59Å; W450-L456 HydrophobicContact CH2-CD1 3.17Å; W450-L456 HydrophobicContact CZ2-CD1 3.35Å; W450-L456 HydrophobicContact CZ3-CD1 3.29Å; F451-L456 HydrophobicContact CD2-CB 3.68Å; F451-L456 HydrophobicContact CE2-CB 3.87Å; F451-L456 WeakPolarHBondContact CE2-O 3.37Å; F451-L456 PolarHBondContact O-N 3.36Å; Q454-L456 HydrophobicContact CB-CD1 4.15Å; Q454-L456 HydrophobicContact CB-CD2 4.3Å; Q454-L456 HydrophobicContact CB-CG 3.9Å; L456-W463 HydrophobicContact CB-CZ2 4.48Å
457H95.1Very high96.4Very high42 Ų4228.1 Ų28.119%0.19413%0.133CC..  trans-82.8134176.9170.2-95.9000109.3P202 Y203 F451 Y513P202-H457 HydrophobicContact CB-CB 4.07Å; P202-H457 HydrophobicContact CG-CB 4.27Å; Y203-H457 HydrophobicContact CE1-CB 4.14Å; Y203-H457 WeakPolarHBondContact OH-CA 3.42Å; Y203-H457 WeakPolarHBondContact OH-CB 3.29Å; Y203-H457 PolarHBondContact OH-N 3.38Å; F451-H457 HydrophobicContact CZ-CB 4.38Å; H457-Y513 AromaticContact CD2-CD1 3.77Å; H457-Y513 AromaticContact CD2-CE1 3.23Å; H457-Y513 WeakPolarHBondContact CD2-CE1 3.01Å; H457-Y513 AromaticContact CD2-CZ 3.79Å; H457-Y513 AromaticContact NE2-CE1 3.72Å
458S94.7Very high96.3Very high1 Ų128.6 Ų28.61%0.00714%0.137CC..  trans-138.2139.8167.4173.30000109.1E423 N460 M461E423-S458 VanDerWaalsContact OE1-CB 3.25Å; E423-S458 WeakPolarHBondContact OE1-CB 3.32Å; E423-S458 PolarHBondContact OE1-OG 3.18Å; S458-N460 PolarHBondContact O-N 3.06Å; S458-N460 PolarHBondContact OG-N 2.98Å; S458-M461 PolarHBondContact O-N 3.21Å; S458-M461 VanDerWaalsContact O-O 3.09Å
459P93.6Very high96.1Very high53 Ų5329.1 Ų29.134%0.34414%0.138SC..THydrogen-bonded Turntrans-61.5-24.5174.126.5-35.3000112.9E423E423-P459 HydrophobicContact CG-CG 4.25Å; E423-P459 WeakPolarHBondContact OE1-CD 3.39Å
460N95.5Very high95.9Very high12 Ų1225.7 Ų25.76%0.06413%0.125CC..THydrogen-bonded Turntrans-92-0.4-178.1-72.460.5000113.4L422 E423 Q428 Y429 A430 S458L422-N460 HydrophobicContact CB-CB 4.08Å; L422-N460 PolarHBondContact O-ND2 3.1Å; E423-N460 HydrophobicContact CG-CB 4.47Å; Q428-N460 PolarHBondContact O-ND2 3.3Å; Y429-N460 CarbonylContact C-O 3.13Å; Y429-N460 VanDerWaalsContact CA-O 3.24Å; Y429-N460 WeakPolarHBondContact CA-O 3.38Å; Y429-N460 HydrophobicContact CD1-CB 4.1Å; Y429-N460 HydrophobicContact CE1-CB 4.22Å; A430-N460 PolarHBondContact N-O 3.01Å; S458-N460 PolarHBondContact O-N 3.06Å; S458-N460 PolarHBondContact OG-N 2.98Å
461M95.3Very high95.8Very high5 Ų525.5 Ų25.53%0.02512%0.124CC..BIsolated β-bridgetrans-124.6140.1-178.9-61.417574.900112.3I415 A419 L422 A430 P432 S458 W463I415-M461 HydrophobicContact CG2-CE 4.24Å; A419-M461 HydrophobicContact CB-SD 3.45Å; A419-M461 WeakPolarHBondContact CB-SD 3.29Å; L422-M461 HydrophobicContact CD1-CG 3.79Å; L422-M461 HydrophobicContact CD1-SD 4.15Å; A430-M461 WeakPolarHBondContact O-CA 3.43Å; P432-M461 HydrophobicContact CG-CE 3.53Å; S458-M461 PolarHBondContact O-N 3.21Å; S458-M461 VanDerWaalsContact O-O 3.09Å; M461-W463 HydrophobicContact CE-CH2 4.1Å; M461-W463 HydrophobicContact CE-CZ2 4.14Å
462R95.1Very high95.5Very high12 Ų1227.8 Ų27.85%0.04514%0.136CC..  trans-123.4164.6163.2-63.7-68.1178.3-99-3.5109A430 E431 P432 L700 E704A430-R462 PolarHBondContact O-N 3.01Å; E431-R462 CarbonylContact C-O 3.54Å; E431-R462 VanDerWaalsContact CA-O 3.28Å; E431-R462 WeakPolarHBondContact CA-O 3.21Å; E431-R462 HydrophobicContact CG-CB 4.14Å; P432-R462 WeakPolarHBondContact CD-O 3.49Å; R462-L700 HydrophobicContact CG-CD2 4.48Å; R462-E704 IonicContact CZ-OE1 3.74Å; R462-E704 IonicContact NH2-OE1 3.9Å; R462-E704 PolarHBondContact NH2-OE1 3.22Å; R462-E704 IonicContact NH2-OE2 3.67Å; R462-E704 PolarHBondContact NH2-OE2 3.45Å
463W97.4Very high95.2Very high2 Ų229.8 Ų29.81%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-118.1139.9-174.1-64.597.6000111.1A314 I415 P432 L434 F451 L456 M461 Y513 I514 S515A314-W463 HydrophobicContact CB-CZ3 4.1Å; I415-W463 HydrophobicContact CG2-CH2 3.67Å; I415-W463 HydrophobicContact CG2-CZ2 3.98Å; P432-W463 HydrophobicContact CB-CE3 4.16Å; P432-W463 HydrophobicContact CB-CZ3 3.87Å; P432-W463 HydrophobicContact CG-CZ3 4.4Å; L434-W463 HydrophobicContact CD1-CD2 3.87Å; L434-W463 HydrophobicContact CD1-CE3 3.34Å; L434-W463 HydrophobicContact CD1-CG 4.44Å; L434-W463 HydrophobicContact CD1-CZ3 3.7Å; L434-W463 HydrophobicContact CD2-CE3 4.27Å; L434-W463 HydrophobicContact CD2-CZ3 3.88Å; L434-W463 HydrophobicContact CG-CE3 3.54Å; L434-W463 HydrophobicContact CG-CZ3 3.66Å; F451-W463 AromaticContact CE2-CD1 3.89Å; F451-W463 AromaticContact CE2-NE1 3.45Å; L456-W463 HydrophobicContact CB-CZ2 4.48Å; M461-W463 HydrophobicContact CE-CH2 4.1Å; M461-W463 HydrophobicContact CE-CZ2 4.14Å; W463-Y513 PolarHBondContact N-O 3.26Å; W463-Y513 VanDerWaalsContact N-O 3.13Å; W463-I514 HydrophobicContact CB-CD1 3.5Å; W463-I514 VanDerWaalsContact CB-CD1 3.5Å; W463-I514 CarbonylContact O-C 3.51Å; W463-I514 VanDerWaalsContact O-CA 3.28Å; W463-I514 WeakPolarHBondContact O-CA 3.08Å; W463-S515 PolarHBondContact O-N 3.27Å; W463-S515 PolarHBondContact O-OG 3.32Å
464M97.9Very high95.1Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-116.3150.4171.2-74.5-75.5-5800109.1E431 P432 R433 L434 S515 G516 F517 D518 R578E431-M464 HydrophobicContact CB-CG 4.38Å; P432-M464 PolarHBondContact O-N 2.8Å; R433-M464 CarbonylContact C-O 3.49Å; R433-M464 VanDerWaalsContact CA-O 3.3Å; R433-M464 WeakPolarHBondContact CA-O 3.46Å; R433-M464 HydrophobicContact CB-CB 4.49Å; R433-M464 HydrophobicContact CG-CB 3.66Å; L434-M464 PolarHBondContact N-O 2.97Å; M464-S515 PolarHBondContact SD-OG 3.05Å; M464-G516 VanDerWaalsContact SD-C 3.51Å; M464-G516 WeakPolarHBondContact SD-CA 3.23Å; M464-G516 PolarHBondContact SD-N 3.32Å; M464-F517 WeakPolarHBondContact CE-O 3.46Å; M464-D518 HydrophobicContact CE-CB 4.45Å; M464-R578 HydrophobicContact CE-CB 4Å; M464-R578 HydrophobicContact CE-CG 4.03Å; M464-R578 VanDerWaalsContact CG-NH2 3.34Å; M464-R578 PolarHBondContact SD-NE 2.97Å
465I98.4Very high94.9Very high0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-105.2114176.5-61-65.7000108.8L434 I436 W444 L447 F510 I514 G516 F517 D518L434-I465 HydrophobicContact CB-CD1 4.2Å; L434-I465 CarbonylContact O-C 3.58Å; L434-I465 WeakPolarHBondContact O-CA 3.47Å; I436-I465 HydrophobicContact CB-CG2 3.85Å; I436-I465 HydrophobicContact CG1-CD1 4.45Å; I436-I465 HydrophobicContact CG1-CG2 3.68Å; W444-I465 HydrophobicContact CH2-CB 4.17Å; W444-I465 HydrophobicContact CH2-CD1 4.12Å; W444-I465 HydrophobicContact CH2-CG1 3.65Å; W444-I465 HydrophobicContact CH2-CG2 3.85Å; W444-I465 HydrophobicContact CZ2-CG2 4.13Å; W444-I465 HydrophobicContact CZ3-CD1 4.02Å; W444-I465 HydrophobicContact CZ3-CG1 3.97Å; L447-I465 HydrophobicContact CD2-CD1 3.95Å; I465-F510 HydrophobicContact CD1-CE1 4.39Å; I465-F510 HydrophobicContact CD1-CZ 4.37Å; I465-I514 HydrophobicContact CD1-CD1 3.85Å; I465-I514 HydrophobicContact CG1-CD1 3.96Å; I465-I514 HydrophobicContact CG1-CG1 4.25Å; I465-I514 HydrophobicContact CG1-CG2 3.83Å; I465-G516 PolarHBondContact N-O 3.1Å; I465-F517 HydrophobicContact CB-CD1 3.95Å; I465-F517 HydrophobicContact CB-CE1 3.96Å; I465-F517 HydrophobicContact CG2-CD1 4Å; I465-F517 HydrophobicContact CG2-CE1 3.9Å; I465-F517 CarbonylContact O-C 3.48Å; I465-F517 VanDerWaalsContact O-CA 3.27Å; I465-F517 WeakPolarHBondContact O-CA 3.5Å; I465-D518 PolarHBondContact O-N 3.49Å
466Q97.3Very high94.7Very high20 Ų2021 Ų219%0.09312%0.117CC..EExtended strand (participates in β ladder)trans-92.1135.7173.567.4-177.440.300111H313 R433 L434 S435 I436 D518 V520H313-Q466 PolarHBondContact CE1-OE1 3.37Å; H313-Q466 VanDerWaalsContact CE1-OE1 3.29Å; H313-Q466 PolarHBondContact ND1-OE1 2.92Å; R433-Q466 HydrophobicContact CB-CB 4.09Å; R433-Q466 HydrophobicContact CB-CG 4.11Å; L434-Q466 PolarHBondContact O-N 2.84Å; S435-Q466 WeakPolarHBondContact CA-O 3.32Å; S435-Q466 WeakPolarHBondContact OG-CG 3.42Å; S435-Q466 PolarHBondContact OG-NE2 3.4Å; I436-Q466 PolarHBondContact N-O 3.44Å; Q466-D518 CarbonylContact C-O 3.6Å; Q466-D518 WeakPolarHBondContact CA-O 3.2Å; Q466-D518 HydrophobicContact CB-CB 4.21Å; Q466-V520 HydrophobicContact CB-CG1 3.86Å; Q466-V520 HydrophobicContact CB-CG2 4.22Å; Q466-V520 HydrophobicContact CG-CG2 4.42Å
467V97.8Very high94.6Very high2 Ų227.6 Ų27.61%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-114.3107.9176.6-179.90000109.1I436 I490 D518 S519 V520 M556I436-V467 WeakPolarHBondContact O-CA 3.23Å; V467-I490 HydrophobicContact CG1-CD1 3.55Å; V467-I490 HydrophobicContact CG2-CD1 4.45Å; V467-I490 HydrophobicContact CG2-CG2 4.33Å; V467-D518 PolarHBondContact N-O 3.27Å; V467-S519 WeakPolarHBondContact O-CA 3.46Å; V467-V520 PolarHBondContact O-N 3.3Å; V467-M556 HydrophobicContact CB-CE 3.71Å; V467-M556 HydrophobicContact CB-SD 4.34Å; V467-M556 HydrophobicContact CG1-CE 4.3Å; V467-M556 HydrophobicContact CG1-SD 4.42Å; V467-M556 HydrophobicContact CG2-CE 3.73Å
468P95.3Very high94.4Very high16 Ų1632 Ų3210%0.10417%0.171CC..EExtended strand (participates in β ladder)trans-68.4131.5176-23.336.3000113Y437 I470 V520Y437-P468 HydrophobicContact CD1-CB 4.46Å; Y437-P468 HydrophobicContact CD1-CG 3.87Å; Y437-P468 HydrophobicContact CE1-CG 3.87Å; P468-I470 HydrophobicContact CB-CD1 3.99Å; P468-I470 HydrophobicContact CB-CG1 3.96Å; P468-I470 HydrophobicContact CB-CG2 4.43Å; P468-I470 PolarHBondContact O-N 2.88Å; P468-V520 CarbonylContact C-O 3.59Å; P468-V520 VanDerWaalsContact CA-O 3.23Å; P468-V520 WeakPolarHBondContact CA-O 3.48Å; P468-V520 HydrophobicContact CB-CG2 4.04Å; P468-V520 HydrophobicContact CG-CG2 3.85Å
469R94.3Very high94.3Very high11 Ų1136.5 Ų36.54%0.04220%0.195CC..  trans-80.959.7179.4-61.1179.9-69.7-91.81.6112.1S519 V520 D521 N546 Y552R469-S519 WeakPolarHBondContact CD-OG 3.24Å; R469-S519 VanDerWaalsContact CG-OG 3.27Å; R469-S519 WeakPolarHBondContact CG-OG 3.45Å; R469-S519 PolarHBondContact NH1-O 3.15Å; R469-S519 PolarHBondContact NH1-OG 3.34Å; R469-V520 PolarHBondContact N-O 3.12Å; R469-D521 HydrophobicContact CB-CB 3.94Å; R469-D521 VanDerWaalsContact NH2-N 3.19Å; R469-D521 PolarHBondContact NH2-O 3.41Å; R469-N546 PolarHBondContact O-ND2 3.21Å; R469-Y552 HydrophobicContact CB-CD1 4.28Å; R469-Y552 HydrophobicContact CB-CD2 4.35Å; R469-Y552 HydrophobicContact CB-CE1 4Å; R469-Y552 HydrophobicContact CB-CE2 4.08Å; R469-Y552 HydrophobicContact CB-CG 4.43Å; R469-Y552 HydrophobicContact CG-CD1 3.83Å; R469-Y552 HydrophobicContact CG-CD2 4.21Å; R469-Y552 HydrophobicContact CG-CE1 4.04Å; R469-Y552 HydrophobicContact CG-CE2 4.41Å; R469-Y552 HydrophobicContact CG-CG 3.89Å
470I93Very high94.3Very high24 Ų2434.3 Ų34.312%0.12318%0.18CC..  trans-121.437.7-171.660175.6000113.3Y437 P468 D472 I473 F474Y437-I470 HydrophobicContact CD1-CD1 4.24Å; P468-I470 HydrophobicContact CB-CD1 3.99Å; P468-I470 HydrophobicContact CB-CG1 3.96Å; P468-I470 HydrophobicContact CB-CG2 4.43Å; P468-I470 PolarHBondContact O-N 2.88Å; I470-D472 VanDerWaalsContact C-OD1 3.25Å; I470-D472 WeakPolarHBondContact CA-OD1 3.28Å; I470-D472 PolarHBondContact O-N 3.05Å; I470-I473 HydrophobicContact CB-CB 4.42Å; I470-I473 HydrophobicContact CB-CD1 3.92Å; I470-I473 HydrophobicContact CB-CG1 4.17Å; I470-I473 HydrophobicContact CD1-CD1 4.47Å; I470-I473 HydrophobicContact CG2-CD1 4.11Å; I470-I473 WeakPolarHBondContact O-CB 3.27Å; I470-I473 PolarHBondContact O-N 3.25Å; I470-I473 VanDerWaalsContact O-N 3.13Å; I470-F474 HydrophobicContact CD1-CE1 3.91Å; I470-F474 HydrophobicContact CD1-CE2 4.39Å; I470-F474 HydrophobicContact CD1-CZ 3.57Å; I470-F474 HydrophobicContact CG1-CE1 4.09Å; I470-F474 HydrophobicContact CG1-CE2 3.8Å; I470-F474 HydrophobicContact CG1-CZ 3.48Å; I470-F474 VanDerWaalsContact CG1-CZ 3.48Å; I470-F474 PolarHBondContact O-N 2.96Å
471Y93.6Very high94.2Very high1 Ų138.3 Ų38.30%0.00421%0.205CC..Hα-helixtrans-55.3-39.3179163-95000112.6I473 F474 K475 V480 N482 F483 V486 W541 T543 N546 P547 Y552Y471-I473 VanDerWaalsContact C-N 3.26Å; Y471-I473 PolarHBondContact O-N 3.42Å; Y471-F474 PolarHBondContact O-N 3.4Å; Y471-F474 VanDerWaalsContact O-N 3.11Å; Y471-K475 HydrophobicContact CD1-CB 4.41Å; Y471-K475 HydrophobicContact CE1-CB 3.97Å; Y471-K475 HydrophobicContact CE1-CG 4.12Å; Y471-K475 HydrophobicContact CE2-CB 4.21Å; Y471-K475 VanDerWaalsContact O-CB 3.24Å; Y471-K475 WeakPolarHBondContact O-CB 3.28Å; Y471-K475 PolarHBondContact O-N 2.87Å; Y471-K475 WeakPolarHBondContact OH-CD 3.45Å; Y471-V480 HydrophobicContact CD2-CG2 3.97Å; Y471-V480 HydrophobicContact CE2-CG2 3.83Å; Y471-N482 VanDerWaalsContact CE2-C 3.49Å; Y471-F483 HydrophobicContact CD2-CB 4.44Å; Y471-F483 AromaticContact CD2-CD2 3.93Å; Y471-F483 HydrophobicContact CD2-CD2 3.93Å; Y471-F483 HydrophobicContact CE2-CB 4.31Å; Y471-F483 AromaticContact CG-CD2 3.99Å; Y471-F483 HydrophobicContact CG-CD2 3.99Å; Y471-V486 HydrophobicContact CD2-CG2 3.89Å; Y471-W541 AromaticContact CE1-CD1 3.73Å; Y471-W541 AromaticContact CE1-NE1 3.98Å; Y471-W541 PolarHBondContact OH-O 3.03Å; Y471-T543 WeakPolarHBondContact CE1-O 3.3Å; Y471-T543 PolarHBondContact OH-O 3.46Å; Y471-N546 PolarHBondContact N-OD1 3.41Å; Y471-P547 HydrophobicContact CD1-CG 4.38Å; Y471-Y552 WeakPolarHBondContact CB-OH 3.28Å; Y471-Y552 PolarHBondContact N-OH 3.47Å
472D91.2Very high94.2Very high48 Ų4839.5 Ų39.526%0.25721%0.212SC..Hα-helixtrans-53.6-42176.661.9-37.7000112.4I470 K475 A476 R544 N546I470-D472 VanDerWaalsContact C-OD1 3.25Å; I470-D472 WeakPolarHBondContact CA-OD1 3.28Å; I470-D472 PolarHBondContact O-N 3.05Å; D472-K475 PolarHBondContact O-N 2.91Å; D472-A476 VanDerWaalsContact O-CB 3.26Å; D472-A476 WeakPolarHBondContact O-CB 3.49Å; D472-A476 PolarHBondContact O-N 3.44Å; D472-R544 WeakPolarHBondContact CB-O 3.39Å; D472-N546 HydrophobicContact CB-CB 3.95Å
473I90.9Very high94.3Very high70 Ų7039 Ų3936%0.35921%0.21SC..Hα-helixtrans-65.1-46176.8-56.5-175.5000110.7I470 Y471 K475 A476 K477I470-I473 HydrophobicContact CB-CB 4.42Å; I470-I473 HydrophobicContact CB-CD1 3.92Å; I470-I473 HydrophobicContact CB-CG1 4.17Å; I470-I473 HydrophobicContact CD1-CD1 4.47Å; I470-I473 HydrophobicContact CG2-CD1 4.11Å; I470-I473 WeakPolarHBondContact O-CB 3.27Å; I470-I473 PolarHBondContact O-N 3.25Å; I470-I473 VanDerWaalsContact O-N 3.13Å; Y471-I473 VanDerWaalsContact C-N 3.26Å; Y471-I473 PolarHBondContact O-N 3.42Å; I473-K475 VanDerWaalsContact C-N 3.32Å; I473-K475 PolarHBondContact O-N 3.41Å; I473-A476 PolarHBondContact O-N 3.43Å; I473-K477 WeakPolarHBondContact O-CG 3.01Å; I473-K477 PolarHBondContact O-N 3.28Å; I473-K477 VanDerWaalsContact O-N 3.11Å
474F92.3Very high94.2Very high16 Ų1639.3 Ų39.37%0.0721%0.212CC..Hα-helixtrans-66.9-37.7179.6-56.5-32.1000111.9Y437 I470 Y471 K477 N478 L479 V480Y437-F474 HydrophobicContact CD1-CZ 4.2Å; Y437-F474 HydrophobicContact CG-CZ 4.41Å; Y437-F474 VanDerWaalsContact O-CE2 3.28Å; Y437-F474 WeakPolarHBondContact O-CE2 3.35Å; I470-F474 HydrophobicContact CD1-CE1 3.91Å; I470-F474 HydrophobicContact CD1-CE2 4.39Å; I470-F474 HydrophobicContact CD1-CZ 3.57Å; I470-F474 HydrophobicContact CG1-CE1 4.09Å; I470-F474 HydrophobicContact CG1-CE2 3.8Å; I470-F474 HydrophobicContact CG1-CZ 3.48Å; I470-F474 VanDerWaalsContact CG1-CZ 3.48Å; I470-F474 PolarHBondContact O-N 2.96Å; Y471-F474 PolarHBondContact O-N 3.4Å; Y471-F474 VanDerWaalsContact O-N 3.11Å; F474-K477 CarbonylContact O-C 3.16Å; F474-K477 PolarHBondContact O-N 3.23Å; F474-N478 PolarHBondContact O-N 2.82Å; F474-N478 VanDerWaalsContact O-N 3.16Å; F474-L479 HydrophobicContact CB-CB 4.34Å; F474-L479 HydrophobicContact CD1-CD1 4.15Å; F474-L479 PolarHBondContact O-N 3.23Å; F474-V480 HydrophobicContact CB-CG2 3.72Å
475K92.8Very high94.1Very high34 Ų3442.1 Ų42.115%0.14823%0.225CC..Hα-helixtrans-68.3-41.8177.1-175.257.7171.51790111.6Y471 D472 I473 K477 N478 T481 T542 R544Y471-K475 HydrophobicContact CD1-CB 4.41Å; Y471-K475 HydrophobicContact CE1-CB 3.97Å; Y471-K475 HydrophobicContact CE1-CG 4.12Å; Y471-K475 HydrophobicContact CE2-CB 4.21Å; Y471-K475 VanDerWaalsContact O-CB 3.24Å; Y471-K475 WeakPolarHBondContact O-CB 3.28Å; Y471-K475 PolarHBondContact O-N 2.87Å; Y471-K475 WeakPolarHBondContact OH-CD 3.45Å; D472-K475 PolarHBondContact O-N 2.91Å; I473-K475 VanDerWaalsContact C-N 3.32Å; I473-K475 PolarHBondContact O-N 3.41Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.96Å; K475-N478 PolarHBondContact O-N 3.07Å; K475-N478 VanDerWaalsContact O-N 3.09Å; K475-T481 PolarHBondContact NZ-O 3.33Å; K475-T542 WeakPolarHBondContact CE-O 3.45Å; K475-T542 PolarHBondContact NZ-O 3.01Å; K475-R544 HydrophobicContact CG-CG 4.43Å
476A92.3Very high94.1Very high64 Ų6442.4 Ų42.453%0.52923%0.226SC..Hα-helixtrans-62.3-3517500000112.4D472 I473 N478D472-A476 VanDerWaalsContact O-CB 3.26Å; D472-A476 WeakPolarHBondContact O-CB 3.49Å; D472-A476 PolarHBondContact O-N 3.44Å; I473-A476 PolarHBondContact O-N 3.43Å; A476-N478 VanDerWaalsContact C-N 3.3Å
477K91.9Very high94.1Very high147 Ų14741.5 Ų41.564%0.63922%0.222SC*.THydrogen-bonded Turntrans-83.72.4175.1-68-175.8178.9-175.10114.2I473 F474 K475 L479I473-K477 WeakPolarHBondContact O-CG 3.01Å; I473-K477 PolarHBondContact O-N 3.28Å; I473-K477 VanDerWaalsContact O-N 3.11Å; F474-K477 CarbonylContact O-C 3.16Å; F474-K477 PolarHBondContact O-N 3.23Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 2.96Å; K477-L479 HydrophobicContact CB-CD1 4.16Å; K477-L479 HydrophobicContact CB-CG 3.89Å; K477-L479 HydrophobicContact CD-CD1 4.42Å; K477-L479 PolarHBondContact O-N 3.32Å
478N92.4Very high94Very high135 Ų13544.2 Ų44.272%0.72224%0.235SC*.THydrogen-bonded Turntrans54.529-175.2-56.4-60.6000114.3F474 K475 A476F474-N478 PolarHBondContact O-N 2.82Å; F474-N478 VanDerWaalsContact O-N 3.16Å; K475-N478 PolarHBondContact O-N 3.07Å; K475-N478 VanDerWaalsContact O-N 3.09Å; A476-N478 VanDerWaalsContact C-N 3.3Å
479L91.5Very high94.1Very high95 Ų9543.6 Ų43.650%0.49723%0.231SC..SBendtrans-76.2-28.5176.5-63.1177.1000112F474 K477F474-L479 HydrophobicContact CB-CB 4.34Å; F474-L479 HydrophobicContact CD1-CD1 4.15Å; F474-L479 PolarHBondContact O-N 3.23Å; K477-L479 HydrophobicContact CB-CD1 4.16Å; K477-L479 HydrophobicContact CB-CG 3.89Å; K477-L479 HydrophobicContact CD-CD1 4.42Å; K477-L479 PolarHBondContact O-N 3.32Å
480V93.8Very high94.3Very high6 Ų643.2 Ų43.24%0.03623%0.229CC..  trans-133.4147.4179.3-62.30000110.8Y471 F474 K485 V486Y471-V480 HydrophobicContact CD2-CG2 3.97Å; Y471-V480 HydrophobicContact CE2-CG2 3.83Å; F474-V480 HydrophobicContact CB-CG2 3.72Å; V480-K485 HydrophobicContact CB-CB 4.43Å; V480-K485 HydrophobicContact CG1-CG 4.39Å; V480-V486 HydrophobicContact CB-CG2 4.28Å; V480-V486 HydrophobicContact CG1-CG2 4.01Å; V480-V486 HydrophobicContact CG2-CG2 3.98Å
481T94.4Very high94.6Very high96 Ų9642.1 Ų42.159%0.58922%0.224SC*.SBendtrans-87.3-36.2-176.551.30000113K475K475-T481 PolarHBondContact NZ-O 3.33Å
482N95.4Very high94.7Very high31 Ų3142.7 Ų42.717%0.16623%0.227CC..SBendtrans-154.1174.1178.957.130.5000109.8Y471 A484 K485 E539 W541 T542Y471-N482 VanDerWaalsContact CE2-C 3.49Å; N482-A484 VanDerWaalsContact C-N 3.31Å; N482-A484 PolarHBondContact O-N 3.41Å; N482-A484 WeakPolarHBondContact OD1-CB 3.31Å; N482-A484 PolarHBondContact OD1-N 3.22Å; N482-K485 PolarHBondContact O-N 3.17Å; N482-K485 PolarHBondContact OD1-N 2.83Å; N482-E539 PolarHBondContact ND2-O 3.46Å; N482-E539 VanDerWaalsContact ND2-O 3.1Å; N482-W541 VanDerWaalsContact CA-O 3.29Å; N482-W541 WeakPolarHBondContact CA-O 3.48Å; N482-W541 WeakPolarHBondContact CB-O 3.12Å; N482-T542 HydrophobicContact CB-CG2 3.95Å
483F96.1Very high95Very high1 Ų140.9 Ų40.90%0.00422%0.217CC..Hα-helixtrans-66-32.8-179.9-170.4-107.6000113.1Y471 K485 V486 L487 P538 W541 P547 Y551 Y552 Y555Y471-F483 HydrophobicContact CD2-CB 4.44Å; Y471-F483 AromaticContact CD2-CD2 3.93Å; Y471-F483 HydrophobicContact CD2-CD2 3.93Å; Y471-F483 HydrophobicContact CE2-CB 4.31Å; Y471-F483 AromaticContact CG-CD2 3.99Å; Y471-F483 HydrophobicContact CG-CD2 3.99Å; F483-K485 PolarHBondContact O-N 2.97Å; F483-V486 WeakPolarHBondContact O-CB 3.47Å; F483-V486 PolarHBondContact O-N 2.9Å; F483-L487 HydrophobicContact CD1-CD1 3.85Å; F483-L487 HydrophobicContact CD1-CG 4.06Å; F483-L487 HydrophobicContact CE1-CD1 3.7Å; F483-L487 HydrophobicContact CE1-CD2 3.9Å; F483-L487 HydrophobicContact CE1-CG 3.74Å; F483-L487 HydrophobicContact CZ-CD2 4.18Å; F483-L487 HydrophobicContact CZ-CG 4.34Å; F483-L487 PolarHBondContact O-N 2.89Å; F483-P538 HydrophobicContact CD1-CB 4.06Å; F483-P538 HydrophobicContact CD1-CG 4.42Å; F483-P538 PolarHBondContact N-O 3.02Å; F483-W541 HydrophobicContact CB-CB 3.93Å; F483-W541 HydrophobicContact CB-CG 4.29Å; F483-W541 PolarHBondContact N-O 3.06Å; F483-W541 VanDerWaalsContact N-O 3.16Å; F483-P547 HydrophobicContact CD2-CG 3.65Å; F483-P547 HydrophobicContact CE2-CG 3.93Å; F483-P547 HydrophobicContact CG-CG 4.02Å; F483-P547 HydrophobicContact CZ-CG 4.5Å; F483-Y551 HydrophobicContact CD1-CD1 4.08Å; F483-Y551 AromaticContact CD1-CE1 3.5Å; F483-Y551 HydrophobicContact CD1-CE1 3.5Å; F483-Y551 VanDerWaalsContact CD1-CE1 3.5Å; F483-Y551 AromaticContact CE1-CD1 3.78Å; F483-Y551 HydrophobicContact CE1-CD1 3.78Å; F483-Y551 AromaticContact CE1-CE1 3.64Å; F483-Y551 HydrophobicContact CE1-CE1 3.64Å; F483-Y551 HydrophobicContact CG-CE1 4.36Å; F483-Y551 HydrophobicContact CZ-CD1 4.43Å; F483-Y552 AromaticContact CE2-CD1 3.91Å; F483-Y552 HydrophobicContact CE2-CD1 3.91Å; F483-Y552 AromaticContact CE2-CE1 3.37Å; F483-Y552 HydrophobicContact CE2-CE1 3.37Å; F483-Y552 HydrophobicContact CE2-CE2 4.06Å; F483-Y552 HydrophobicContact CE2-CG 4.46Å; F483-Y552 AromaticContact CE2-CZ 3.47Å; F483-Y552 VanDerWaalsContact CE2-CZ 3.47Å; F483-Y552 AromaticContact CZ-CD1 3.64Å; F483-Y552 HydrophobicContact CZ-CD1 3.64Å; F483-Y552 HydrophobicContact CZ-CD2 4.37Å; F483-Y552 AromaticContact CZ-CE1 3.63Å; F483-Y552 HydrophobicContact CZ-CE1 3.63Å; F483-Y552 HydrophobicContact CZ-CE2 4.36Å; F483-Y552 HydrophobicContact CZ-CG 4.04Å; F483-Y555 HydrophobicContact CE1-CD2 4.48Å
484A96.1Very high95.4Very high8 Ų837.5 Ų37.57%0.06620%0.2CC..Hα-helixtrans-55.4-36.3175.200000112.1N482 V486 L487 E488 P538 E539N482-A484 VanDerWaalsContact C-N 3.31Å; N482-A484 PolarHBondContact O-N 3.41Å; N482-A484 WeakPolarHBondContact OD1-CB 3.31Å; N482-A484 PolarHBondContact OD1-N 3.22Å; A484-V486 VanDerWaalsContact C-N 3.32Å; A484-V486 PolarHBondContact O-N 2.98Å; A484-L487 PolarHBondContact O-N 3.16Å; A484-E488 WeakPolarHBondContact O-CB 3.46Å; A484-E488 PolarHBondContact O-N 3Å; A484-P538 HydrophobicContact CB-CB 3.79Å; A484-P538 PolarHBondContact N-O 3.09Å; A484-E539 HydrophobicContact CB-CB 4.33Å; A484-E539 HydrophobicContact CB-CG 3.72Å
485K96.3Very high95.6Very high60 Ų6036.8 Ų36.826%0.26120%0.197SC..Hα-helixtrans-65.3-34.8178.1-170.451173.1167.20113V480 N482 F483 E488 N489V480-K485 HydrophobicContact CB-CB 4.43Å; V480-K485 HydrophobicContact CG1-CG 4.39Å; N482-K485 PolarHBondContact O-N 3.17Å; N482-K485 PolarHBondContact OD1-N 2.83Å; F483-K485 PolarHBondContact O-N 2.97Å; K485-E488 HydrophobicContact CD-CB 4.4Å; K485-E488 WeakPolarHBondContact CD-OE2 3.21Å; K485-E488 IonicContact NZ-OE1 2.76Å; K485-E488 PolarHBondContact NZ-OE1 3.17Å; K485-E488 IonicContact NZ-OE2 3.7Å; K485-E488 PolarHBondContact NZ-OE2 2.83Å; K485-E488 PolarHBondContact O-N 2.98Å; K485-N489 WeakPolarHBondContact CE-OD1 3.32Å; K485-N489 PolarHBondContact NZ-OD1 3.29Å; K485-N489 WeakPolarHBondContact O-CB 3.35Å; K485-N489 PolarHBondContact O-N 2.73Å; K485-N489 PolarHBondContact O-ND2 3.35Å; K485-N489 PolarHBondContact O-OD1 3.22Å
486V96.8Very high95.8Very high5 Ų539.6 Ų39.63%0.0321%0.209CC..Hα-helixtrans-64.1-48.41741760000110.1Y471 V480 F483 A484 E488 N489 I490Y471-V486 HydrophobicContact CD2-CG2 3.89Å; V480-V486 HydrophobicContact CB-CG2 4.28Å; V480-V486 HydrophobicContact CG1-CG2 4.01Å; V480-V486 HydrophobicContact CG2-CG2 3.98Å; F483-V486 WeakPolarHBondContact O-CB 3.47Å; F483-V486 PolarHBondContact O-N 2.9Å; A484-V486 VanDerWaalsContact C-N 3.32Å; A484-V486 PolarHBondContact O-N 2.98Å; V486-E488 VanDerWaalsContact C-N 3.32Å; V486-E488 PolarHBondContact O-N 3.39Å; V486-N489 PolarHBondContact O-N 3.39Å; V486-I490 HydrophobicContact CG1-CD1 3.72Å; V486-I490 WeakPolarHBondContact O-CD1 3.36Å; V486-I490 VanDerWaalsContact O-CG1 3.28Å; V486-I490 WeakPolarHBondContact O-CG1 3.42Å; V486-I490 PolarHBondContact O-N 2.79Å
487L97.6Very high96.1Very high2 Ų236.6 Ų36.61%0.0118%0.184CC..Hα-helixtrans-60.3-41.9176.4-64.3174000111.8M218 F483 A484 I490 F491 P538 Y555M218-L487 HydrophobicContact CE-CB 3.92Å; M218-L487 HydrophobicContact SD-CB 3.89Å; F483-L487 HydrophobicContact CD1-CD1 3.85Å; F483-L487 HydrophobicContact CD1-CG 4.06Å; F483-L487 HydrophobicContact CE1-CD1 3.7Å; F483-L487 HydrophobicContact CE1-CD2 3.9Å; F483-L487 HydrophobicContact CE1-CG 3.74Å; F483-L487 HydrophobicContact CZ-CD2 4.18Å; F483-L487 HydrophobicContact CZ-CG 4.34Å; F483-L487 PolarHBondContact O-N 2.89Å; A484-L487 PolarHBondContact O-N 3.16Å; L487-I490 PolarHBondContact O-N 2.96Å; L487-F491 HydrophobicContact CD2-CD2 4.36Å; L487-F491 HydrophobicContact CD2-CE2 4.06Å; L487-F491 WeakPolarHBondContact O-CD2 3.16Å; L487-F491 PolarHBondContact O-N 3.45Å; L487-P538 HydrophobicContact CD1-CB 3.98Å; L487-P538 HydrophobicContact CD1-CG 4.03Å; L487-Y555 HydrophobicContact CD1-CD1 4.17Å; L487-Y555 HydrophobicContact CD1-CG 3.92Å
488E97.1Very high96.3Very high58 Ų5829.6 Ų29.627%0.27115%0.154SC..Hα-helixtrans-60.3-46.9177-167.4-161.8148.100110.7M218 A484 K485 V486 I490 L492 P493M218-E488 HydrophobicContact CE-CB 4.39Å; M218-E488 HydrophobicContact SD-CB 3.87Å; A484-E488 WeakPolarHBondContact O-CB 3.46Å; A484-E488 PolarHBondContact O-N 3Å; K485-E488 HydrophobicContact CD-CB 4.4Å; K485-E488 WeakPolarHBondContact CD-OE2 3.21Å; K485-E488 IonicContact NZ-OE1 2.76Å; K485-E488 PolarHBondContact NZ-OE1 3.17Å; K485-E488 IonicContact NZ-OE2 3.7Å; K485-E488 PolarHBondContact NZ-OE2 2.83Å; K485-E488 PolarHBondContact O-N 2.98Å; V486-E488 VanDerWaalsContact C-N 3.32Å; V486-E488 PolarHBondContact O-N 3.39Å; E488-I490 VanDerWaalsContact C-N 3.27Å; E488-I490 PolarHBondContact O-N 2.76Å; E488-L492 HydrophobicContact CG-CB 4.06Å; E488-L492 HydrophobicContact CG-CD2 3.73Å; E488-L492 WeakPolarHBondContact O-CB 3.31Å; E488-L492 PolarHBondContact O-N 3.5Å; E488-P493 WeakPolarHBondContact O-CD 3.49Å
489N97.4Very high96.5Very high4 Ų423.4 Ų23.42%0.02112%0.121CC..Hα-helixtrans-63.8-32.5179.3-68.7-16.2000112.6G438 R439 S440 T441 K485 V486 P493G438-N489 WeakPolarHBondContact O-CB 3.42Å; G438-N489 PolarHBondContact O-ND2 3.13Å; R439-N489 VanDerWaalsContact C-ND2 3.3Å; R439-N489 PolarHBondContact O-ND2 3.38Å; S440-N489 PolarHBondContact N-ND2 2.88Å; T441-N489 WeakPolarHBondContact CG2-OD1 3.27Å; K485-N489 WeakPolarHBondContact CE-OD1 3.32Å; K485-N489 PolarHBondContact NZ-OD1 3.29Å; K485-N489 WeakPolarHBondContact O-CB 3.35Å; K485-N489 PolarHBondContact O-N 2.73Å; K485-N489 PolarHBondContact O-ND2 3.35Å; K485-N489 PolarHBondContact O-OD1 3.22Å; V486-N489 PolarHBondContact O-N 3.39Å; N489-P493 WeakPolarHBondContact O-CD 3.15Å; N489-P493 WeakPolarHBondContact O-CG 3.48Å
490I97.9Very high96.7Very high3 Ų320.4 Ų20.42%0.01511%0.105CC..Hα-helixtrans-79-52.4178.7-64.6161.9000111.2I436 W444 V467 V486 L487 E488I436-I490 HydrophobicContact CG2-CG1 4.33Å; W444-I490 PolarHBondContact NE1-O 3.4Å; V467-I490 HydrophobicContact CG1-CD1 3.55Å; V467-I490 HydrophobicContact CG2-CD1 4.45Å; V467-I490 HydrophobicContact CG2-CG2 4.33Å; V486-I490 HydrophobicContact CG1-CD1 3.72Å; V486-I490 WeakPolarHBondContact O-CD1 3.36Å; V486-I490 VanDerWaalsContact O-CG1 3.28Å; V486-I490 WeakPolarHBondContact O-CG1 3.42Å; V486-I490 PolarHBondContact O-N 2.79Å; L487-I490 PolarHBondContact O-N 2.96Å; E488-I490 VanDerWaalsContact C-N 3.27Å; E488-I490 PolarHBondContact O-N 2.76Å
491F98.3Very high96.7Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-96.1-37.6-166.5-68.1-69.5000113.6V223 L487 L494 F495 M556 N559 I560V223-F491 HydrophobicContact CG2-CB 4.3Å; L487-F491 HydrophobicContact CD2-CD2 4.36Å; L487-F491 HydrophobicContact CD2-CE2 4.06Å; L487-F491 WeakPolarHBondContact O-CD2 3.16Å; L487-F491 PolarHBondContact O-N 3.45Å; F491-L494 HydrophobicContact CD1-CD1 4.29Å; F491-L494 VanDerWaalsContact O-CB 3.32Å; F491-L494 WeakPolarHBondContact O-CB 3.18Å; F491-L494 PolarHBondContact O-N 3.11Å; F491-F495 HydrophobicContact CB-CD2 4.42Å; F491-F495 HydrophobicContact CB-CE2 4.33Å; F491-F495 WeakPolarHBondContact O-CD2 3.35Å; F491-F495 PolarHBondContact O-N 2.91Å; F491-M556 HydrophobicContact CE2-CB 4.5Å; F491-M556 HydrophobicContact CE2-CG 4.21Å; F491-M556 HydrophobicContact CZ-CB 4.09Å; F491-M556 HydrophobicContact CZ-CG 4.1Å; F491-N559 HydrophobicContact CB-CB 4.14Å; F491-N559 HydrophobicContact CD1-CB 3.61Å; F491-N559 HydrophobicContact CD2-CB 3.55Å; F491-N559 HydrophobicContact CE1-CB 3.83Å; F491-N559 HydrophobicContact CE2-CB 3.77Å; F491-N559 HydrophobicContact CG-CB 3.47Å; F491-N559 VanDerWaalsContact CG-CB 3.47Å; F491-N559 HydrophobicContact CZ-CB 3.9Å; F491-I560 HydrophobicContact CE1-CG1 3.84Å; F491-I560 HydrophobicContact CZ-CG1 4.3Å
492L97.1Very high96.6Very high14 Ų1419 Ų197%0.0739%0.092CC..Hα-helixtrans-58.6-40.2-174.5-171.364.4000113.5L216 V223 E488 L494 F495 K496L216-L492 HydrophobicContact CB-CD1 3.93Å; L216-L492 HydrophobicContact CD1-CD1 4.38Å; V223-L492 HydrophobicContact CG1-CD1 4.47Å; E488-L492 HydrophobicContact CG-CB 4.06Å; E488-L492 HydrophobicContact CG-CD2 3.73Å; E488-L492 WeakPolarHBondContact O-CB 3.31Å; E488-L492 PolarHBondContact O-N 3.5Å; L492-L494 VanDerWaalsContact C-N 3.25Å; L492-L494 PolarHBondContact O-N 3.31Å; L492-F495 PolarHBondContact O-N 3.16Å; L492-K496 HydrophobicContact CG-CD 4.33Å; L492-K496 WeakPolarHBondContact O-CG 3.23Å; L492-K496 PolarHBondContact O-N 3.09Å
493P97.8Very high96.6Very high9 Ų921.8 Ų21.86%0.05811%0.11CC..Hα-helixtrans-58.9-34.9174.6-27.438.3000113.6T441 W444 E488 N489 K496 A497 L507T441-P493 HydrophobicContact CG2-CG 4.25Å; W444-P493 HydrophobicContact CB-CB 4.2Å; W444-P493 HydrophobicContact CG-CB 4.17Å; E488-P493 WeakPolarHBondContact O-CD 3.49Å; N489-P493 WeakPolarHBondContact O-CD 3.15Å; N489-P493 WeakPolarHBondContact O-CG 3.48Å; P493-K496 PolarHBondContact O-N 3.39Å; P493-A497 WeakPolarHBondContact O-CB 3.49Å; P493-A497 PolarHBondContact O-N 3.43Å; P493-L507 HydrophobicContact CB-CD2 4.48Å
494L98.1Very high96.6Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-70-41.8178.8-57.4176.6000112.1W444 F491 L492 A497 T498 L511 F517 L563W444-L494 HydrophobicContact CD2-CD2 3.83Å; W444-L494 HydrophobicContact CE3-CD2 3.95Å; W444-L494 HydrophobicContact CH2-CD1 4.19Å; W444-L494 HydrophobicContact CH2-CD2 3.7Å; W444-L494 HydrophobicContact CH2-CG 4.4Å; W444-L494 HydrophobicContact CZ2-CD1 3.7Å; W444-L494 HydrophobicContact CZ2-CD2 3.63Å; W444-L494 HydrophobicContact CZ2-CG 3.91Å; W444-L494 HydrophobicContact CZ3-CD2 3.88Å; F491-L494 HydrophobicContact CD1-CD1 4.29Å; F491-L494 VanDerWaalsContact O-CB 3.32Å; F491-L494 WeakPolarHBondContact O-CB 3.18Å; F491-L494 PolarHBondContact O-N 3.11Å; L492-L494 VanDerWaalsContact C-N 3.25Å; L492-L494 PolarHBondContact O-N 3.31Å; L494-A497 PolarHBondContact O-N 2.83Å; L494-T498 VanDerWaalsContact O-CB 3.29Å; L494-T498 WeakPolarHBondContact O-CB 3.44Å; L494-T498 PolarHBondContact O-N 2.56Å; L494-T498 PolarHBondContact O-OG1 2.97Å; L494-L511 HydrophobicContact CD2-CD1 3.94Å; L494-L511 HydrophobicContact CD2-CD2 3.61Å; L494-L511 HydrophobicContact CD2-CG 4.36Å; L494-F517 HydrophobicContact CD1-CE1 4.17Å; L494-F517 HydrophobicContact CD1-CE2 4.42Å; L494-F517 HydrophobicContact CD1-CZ 3.51Å; L494-L563 HydrophobicContact CB-CD1 4.4Å; L494-L563 HydrophobicContact CB-CD2 3.77Å; L494-L563 HydrophobicContact CD1-CD2 3.85Å; L494-L563 HydrophobicContact CG-CD2 4.48Å
495F97.6Very high96.5Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-63.9-44.1173.5-80.7-90.7000110.9L216 V223 V225 F491 L492 A497 T498 V499 V562 L563 L566L216-F495 HydrophobicContact CD1-CB 3.67Å; L216-F495 HydrophobicContact CD2-CB 4.07Å; L216-F495 HydrophobicContact CD2-CD1 4.26Å; L216-F495 HydrophobicContact CG-CB 4.48Å; V223-F495 HydrophobicContact CB-CD1 4.42Å; V223-F495 HydrophobicContact CB-CD2 3.84Å; V223-F495 HydrophobicContact CB-CE1 4.26Å; V223-F495 HydrophobicContact CB-CE2 3.66Å; V223-F495 HydrophobicContact CB-CG 4.23Å; V223-F495 HydrophobicContact CB-CZ 3.87Å; V223-F495 HydrophobicContact CG1-CB 4.23Å; V223-F495 HydrophobicContact CG1-CD1 3.84Å; V223-F495 HydrophobicContact CG1-CD2 3.81Å; V223-F495 HydrophobicContact CG1-CE1 4.1Å; V223-F495 HydrophobicContact CG1-CE2 4.07Å; V223-F495 HydrophobicContact CG1-CG 3.7Å; V223-F495 HydrophobicContact CG1-CZ 4.2Å; V223-F495 HydrophobicContact CG2-CD2 3.8Å; V223-F495 HydrophobicContact CG2-CE2 3.82Å; V223-F495 HydrophobicContact CG2-CG 4.5Å; V225-F495 HydrophobicContact CG2-CD1 4.15Å; V225-F495 HydrophobicContact CG2-CE1 4.15Å; F491-F495 HydrophobicContact CB-CD2 4.42Å; F491-F495 HydrophobicContact CB-CE2 4.33Å; F491-F495 WeakPolarHBondContact O-CD2 3.35Å; F491-F495 PolarHBondContact O-N 2.91Å; L492-F495 PolarHBondContact O-N 3.16Å; F495-A497 PolarHBondContact O-N 3.32Å; F495-T498 CarbonylContact O-C 3.55Å; F495-T498 WeakPolarHBondContact O-CA 3.29Å; F495-T498 WeakPolarHBondContact O-CB 3.48Å; F495-T498 PolarHBondContact O-N 2.85Å; F495-V499 WeakPolarHBondContact O-CG2 3.31Å; F495-V499 PolarHBondContact O-N 3.26Å; F495-V562 HydrophobicContact CE1-CB 4.47Å; F495-V562 HydrophobicContact CE1-CG1 3.84Å; F495-V562 HydrophobicContact CZ-CB 4.06Å; F495-V562 HydrophobicContact CZ-CG1 3.88Å; F495-L563 HydrophobicContact CD1-CD1 4.07Å; F495-L563 HydrophobicContact CD2-CD1 4.07Å; F495-L563 HydrophobicContact CE1-CB 4.14Å; F495-L563 HydrophobicContact CE1-CD1 4.11Å; F495-L563 HydrophobicContact CE2-CB 3.8Å; F495-L563 HydrophobicContact CE2-CD1 4.12Å; F495-L563 HydrophobicContact CE2-CG 4.39Å; F495-L563 HydrophobicContact CG-CD1 4.04Å; F495-L563 HydrophobicContact CZ-CB 3.56Å; F495-L563 HydrophobicContact CZ-CD1 4.15Å; F495-L563 HydrophobicContact CZ-CG 4.42Å; F495-L566 HydrophobicContact CD1-CD2 3.88Å; F495-L566 HydrophobicContact CE1-CD2 4.29Å
496K96.8Very high96.5Very high94 Ų9428.1 Ų28.141%0.40914%0.138SC..Hα-helixtrans-59-45.6175.8-74.2176.4175.3177.70112.1L216 L492 P493 T498 V499 N500L216-K496 HydrophobicContact CD1-CB 4.43Å; L216-K496 HydrophobicContact CD1-CG 3.77Å; L492-K496 HydrophobicContact CG-CD 4.33Å; L492-K496 WeakPolarHBondContact O-CG 3.23Å; L492-K496 PolarHBondContact O-N 3.09Å; P493-K496 PolarHBondContact O-N 3.39Å; K496-T498 PolarHBondContact O-N 3.4Å; K496-V499 PolarHBondContact O-N 3.46Å; K496-N500 PolarHBondContact O-N 3.27Å
497A97.1Very high96.5Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-68.9-23175.600000113.5P493 L494 F495 P501 H504 L507 L511P493-A497 WeakPolarHBondContact O-CB 3.49Å; P493-A497 PolarHBondContact O-N 3.43Å; L494-A497 PolarHBondContact O-N 2.83Å; F495-A497 PolarHBondContact O-N 3.32Å; A497-P501 WeakPolarHBondContact O-CA 3.26Å; A497-P501 VanDerWaalsContact O-CG 3.29Å; A497-P501 WeakPolarHBondContact O-CG 3.46Å; A497-H504 HydrophobicContact CB-CB 3.71Å; A497-L507 HydrophobicContact CB-CB 4.39Å; A497-L507 HydrophobicContact CB-CD2 3.69Å; A497-L507 HydrophobicContact CB-CG 3.87Å; A497-L511 HydrophobicContact CB-CD1 4.41Å
498T96.8Very high96.5Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-82.4-34.3174.5-60.40000111.9L494 F495 K496 L566 R567 R570 L572L494-T498 VanDerWaalsContact O-CB 3.29Å; L494-T498 WeakPolarHBondContact O-CB 3.44Å; L494-T498 PolarHBondContact O-N 2.56Å; L494-T498 PolarHBondContact O-OG1 2.97Å; F495-T498 CarbonylContact O-C 3.55Å; F495-T498 WeakPolarHBondContact O-CA 3.29Å; F495-T498 WeakPolarHBondContact O-CB 3.48Å; F495-T498 PolarHBondContact O-N 2.85Å; K496-T498 PolarHBondContact O-N 3.4Å; T498-L566 HydrophobicContact CG2-CD2 3.77Å; T498-L566 HydrophobicContact CG2-CG 3.85Å; T498-R567 HydrophobicContact CG2-CG 3.47Å; T498-R567 VanDerWaalsContact CG2-CG 3.47Å; T498-R567 PolarHBondContact OG1-NH1 3.31Å; T498-R570 WeakPolarHBondContact O-CD 3.28Å; T498-R570 PolarHBondContact O-NH1 3.16Å; T498-L572 HydrophobicContact CG2-CD1 4.29Å
499V96.1Very high96.4Very high6 Ų625.3 Ų25.34%0.03613%0.125CC..Hα-helixtrans-78.8-48.2177168.80000110.9N211 L212 F214 L216 F495 K496 P501 L566 R570N211-V499 PolarHBondContact OD1-O 3.33Å; L212-V499 HydrophobicContact CB-CG1 4.32Å; L212-V499 PolarHBondContact N-O 3.36Å; F214-V499 HydrophobicContact CB-CG1 3.89Å; F214-V499 HydrophobicContact CB-CG2 4.14Å; L216-V499 HydrophobicContact CD1-CG2 4.12Å; L216-V499 HydrophobicContact CD2-CG2 4.04Å; L216-V499 HydrophobicContact CG-CG2 4.31Å; F495-V499 WeakPolarHBondContact O-CG2 3.31Å; F495-V499 PolarHBondContact O-N 3.26Å; K496-V499 PolarHBondContact O-N 3.46Å; V499-P501 WeakPolarHBondContact O-CD 3.18Å; V499-L566 HydrophobicContact CG2-CD2 4.12Å; V499-R570 PolarHBondContact O-NH1 3.17Å
500N95.6Very high96.4Very high31 Ų3125.1 Ų25.117%0.16612%0.124CC..  trans-124.578.9179.4-167.9-7.1000112N211 K496 Q502 T503 H504N211-N500 HydrophobicContact CB-CB 4.26Å; N211-N500 PolarHBondContact ND2-ND2 3.46Å; N211-N500 WeakPolarHBondContact OD1-CB 3.37Å; K496-N500 PolarHBondContact O-N 3.27Å; N500-Q502 PolarHBondContact O-N 3.08Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.34Å; N500-Q502 PolarHBondContact OD1-N 2.79Å; N500-T503 VanDerWaalsContact CG-OG1 3.32Å; N500-T503 WeakPolarHBondContact ND2-CG2 3.32Å; N500-T503 PolarHBondContact ND2-OG1 3.34Å; N500-T503 PolarHBondContact O-N 3.08Å; N500-T503 PolarHBondContact O-OG1 3.29Å; N500-T503 PolarHBondContact OD1-N 3.49Å; N500-H504 PolarHBondContact O-CD2 3.4Å
501P94.7Very high96.4Very high0 Ų025 Ų250%012%0.123CC..G310 helixtrans-60.5-26.9175.2-25.135000113.7I208 P209 A497 V499 T503 H504 K505 H508 R570I208-P501 HydrophobicContact CG2-CB 3.36Å; P209-P501 HydrophobicContact CB-CG 4.2Å; P209-P501 HydrophobicContact CG-CG 4.43Å; A497-P501 WeakPolarHBondContact O-CA 3.26Å; A497-P501 VanDerWaalsContact O-CG 3.29Å; A497-P501 WeakPolarHBondContact O-CG 3.46Å; V499-P501 WeakPolarHBondContact O-CD 3.18Å; P501-T503 VanDerWaalsContact C-N 3.34Å; P501-T503 PolarHBondContact O-N 3.48Å; P501-H504 CarbonylContact O-C 3.49Å; P501-H504 PolarHBondContact O-N 3.41Å; P501-H504 VanDerWaalsContact O-N 3.1Å; P501-K505 PolarHBondContact O-N 3.23Å; P501-H508 HydrophobicContact CB-CB 4.13Å; P501-R570 VanDerWaalsContact CG-NH1 3.33Å
502Q93.2Very high96.2Very high72 Ų7228.2 Ų28.234%0.33614%0.137SC..G310 helixtrans-66.2-32.5-176.2-69.7-65.1-21.600113.5I208 N500 K505I208-Q502 HydrophobicContact CG2-CG 4.41Å; I208-Q502 PolarHBondContact O-NE2 3.33Å; N500-Q502 PolarHBondContact O-N 3.08Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.34Å; N500-Q502 PolarHBondContact OD1-N 2.79Å; Q502-K505 WeakPolarHBondContact O-CE 3.31Å; Q502-K505 VanDerWaalsContact O-CG 3.27Å; Q502-K505 WeakPolarHBondContact O-CG 3.4Å; Q502-K505 VanDerWaalsContact OE1-CE 3.31Å
503T94.3Very high96.1Very high91 Ų9128.3 Ų28.356%0.55814%0.137SC*.G310 helixtrans-87.4-8.117556.50000112.9N500 P501N500-T503 VanDerWaalsContact CG-OG1 3.32Å; N500-T503 WeakPolarHBondContact ND2-CG2 3.32Å; N500-T503 PolarHBondContact ND2-OG1 3.34Å; N500-T503 PolarHBondContact O-N 3.08Å; N500-T503 PolarHBondContact O-OG1 3.29Å; N500-T503 PolarHBondContact OD1-N 3.49Å; P501-T503 VanDerWaalsContact C-N 3.34Å; P501-T503 PolarHBondContact O-N 3.48Å
504H95.2Very high96.1Very high41 Ų4128 Ų2819%0.1913%0.134CC..SBendtrans-131.547.3-175.6-64.1-71.9000111.3A497 N500 P501 E506 L507 H508A497-H504 HydrophobicContact CB-CB 3.71Å; N500-H504 PolarHBondContact O-CD2 3.4Å; P501-H504 CarbonylContact O-C 3.49Å; P501-H504 PolarHBondContact O-N 3.41Å; P501-H504 VanDerWaalsContact O-N 3.1Å; H504-E506 PolarHBondContact O-N 3.13Å; H504-L507 HydrophobicContact CB-CB 4.39Å; H504-L507 PolarHBondContact O-N 2.86Å; H504-H508 WeakPolarHBondContact O-CB 3.27Å; H504-H508 PolarHBondContact O-N 3.26Å
505K95.6Very high96Very high83 Ų8328.1 Ų28.136%0.36114%0.135SC..Hα-helixtrans-60.6-49.4-169.3-59.5-170.1175.6-171.90113.1M205 I208 P501 Q502 L507 H508 V509M205-K505 HydrophobicContact SD-CB 3.76Å; I208-K505 HydrophobicContact CD1-CB 3.68Å; I208-K505 HydrophobicContact CD1-CD 3.87Å; I208-K505 HydrophobicContact CD1-CG 3.63Å; P501-K505 PolarHBondContact O-N 3.23Å; Q502-K505 WeakPolarHBondContact O-CE 3.31Å; Q502-K505 VanDerWaalsContact O-CG 3.27Å; Q502-K505 WeakPolarHBondContact O-CG 3.4Å; Q502-K505 VanDerWaalsContact OE1-CE 3.31Å; K505-L507 VanDerWaalsContact C-N 3.31Å; K505-L507 PolarHBondContact O-N 2.97Å; K505-H508 PolarHBondContact O-N 3.36Å; K505-V509 PolarHBondContact O-N 2.83Å
506E96.3Very high96Very high78 Ų7828.1 Ų28.136%0.36414%0.135SC..Hα-helixtrans-62.3-41.8-179.6-58.2101.9141.700111.5M205 A448 I452 H504 V509 F510M205-E506 HydrophobicContact CE-CG 4.27Å; A448-E506 HydrophobicContact CB-CB 4.31Å; I452-E506 HydrophobicContact CG1-CB 4.2Å; H504-E506 PolarHBondContact O-N 3.13Å; E506-V509 PolarHBondContact O-N 2.57Å; E506-F510 WeakPolarHBondContact O-CB 3.22Å; E506-F510 PolarHBondContact O-N 2.88Å
507L97.2Very high96.1Very high1 Ų123.6 Ų23.61%0.00512%0.115CC..Hα-helixtrans-65.1-43.8177.6-178.854.7000111.1W444 A448 P493 A497 H504 K505 V509 F510 L511W444-L507 HydrophobicContact CB-CD1 4.1Å; W444-L507 HydrophobicContact CB-CD2 4.06Å; W444-L507 HydrophobicContact CD2-CD1 4.37Å; W444-L507 HydrophobicContact CE3-CD1 3.78Å; A448-L507 HydrophobicContact CB-CB 4.18Å; A448-L507 HydrophobicContact CB-CD1 4.18Å; P493-L507 HydrophobicContact CB-CD2 4.48Å; A497-L507 HydrophobicContact CB-CB 4.39Å; A497-L507 HydrophobicContact CB-CD2 3.69Å; A497-L507 HydrophobicContact CB-CG 3.87Å; H504-L507 HydrophobicContact CB-CB 4.39Å; H504-L507 PolarHBondContact O-N 2.86Å; K505-L507 VanDerWaalsContact C-N 3.31Å; K505-L507 PolarHBondContact O-N 2.97Å; L507-V509 VanDerWaalsContact C-N 3.35Å; L507-V509 PolarHBondContact O-N 3.2Å; L507-F510 HydrophobicContact CD1-CD1 4.36Å; L507-F510 PolarHBondContact O-N 3.01Å; L507-L511 HydrophobicContact CD1-CD1 4.3Å; L507-L511 HydrophobicContact CD1-CD2 4.27Å; L507-L511 HydrophobicContact CD1-CG 4.01Å; L507-L511 HydrophobicContact CG-CD1 4.2Å; L507-L511 HydrophobicContact CG-CG 4.36Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 VanDerWaalsContact O-CG 3.23Å; L507-L511 WeakPolarHBondContact O-CG 3.49Å; L507-L511 PolarHBondContact O-N 3.46Å
508H96.6Very high96.2Very high4 Ų423.6 Ų23.62%0.01912%0.115CC..Hα-helixtrans-57.5-46.1176.3174.478000112.2P501 H504 K505 L511 K512P501-H508 HydrophobicContact CB-CB 4.13Å; H504-H508 WeakPolarHBondContact O-CB 3.27Å; H504-H508 PolarHBondContact O-N 3.26Å; K505-H508 PolarHBondContact O-N 3.36Å; H508-L511 PolarHBondContact O-N 3.26Å; H508-K512 WeakPolarHBondContact NE2-CE 3.48Å
509V95.9Very high96.1Very high1 Ų123.6 Ų23.61%0.00612%0.115CC..Hα-helixtrans-65.8-43.6177.6172.40000111.3M205 I452 K505 E506 L507 L511 K512 Y513M205-V509 HydrophobicContact CE-CB 3.94Å; M205-V509 HydrophobicContact CE-CG1 4.35Å; M205-V509 HydrophobicContact CE-CG2 3.74Å; M205-V509 HydrophobicContact SD-CB 4.18Å; M205-V509 HydrophobicContact SD-CG2 3.35Å; M205-V509 WeakPolarHBondContact SD-CG2 3.23Å; I452-V509 HydrophobicContact CD1-CB 4.19Å; I452-V509 HydrophobicContact CD1-CG1 3.69Å; K505-V509 PolarHBondContact O-N 2.83Å; E506-V509 PolarHBondContact O-N 2.57Å; L507-V509 VanDerWaalsContact C-N 3.35Å; L507-V509 PolarHBondContact O-N 3.2Å; V509-L511 VanDerWaalsContact C-N 3.31Å; V509-L511 PolarHBondContact O-N 3.11Å; V509-K512 WeakPolarHBondContact O-CB 3.42Å; V509-K512 PolarHBondContact O-N 2.84Å; V509-K512 VanDerWaalsContact O-N 3.17Å; V509-Y513 HydrophobicContact CG1-CE2 4.23Å; V509-Y513 WeakPolarHBondContact O-CD2 3.4Å
510F97.1Very high96Very high0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-58.9-42.7176.8177.8-128.9000112.2L434 W444 L447 A448 F451 I465 E506 L507 K512 Y513 I514L434-F510 HydrophobicContact CD1-CE2 4.47Å; L434-F510 HydrophobicContact CD1-CZ 4.09Å; W444-F510 HydrophobicContact CE3-CE1 4.43Å; W444-F510 HydrophobicContact CZ3-CE1 4.23Å; L447-F510 HydrophobicContact CD2-CE1 3.85Å; L447-F510 HydrophobicContact CD2-CZ 3.94Å; L447-F510 HydrophobicContact CG-CE1 3.92Å; L447-F510 HydrophobicContact CG-CZ 3.94Å; A448-F510 HydrophobicContact CB-CB 3.88Å; A448-F510 HydrophobicContact CB-CD1 4Å; A448-F510 HydrophobicContact CB-CG 4.19Å; F451-F510 HydrophobicContact CB-CD2 3.66Å; F451-F510 HydrophobicContact CB-CE2 3.83Å; F451-F510 HydrophobicContact CB-CG 4.39Å; F451-F510 HydrophobicContact CD1-CB 4.36Å; F451-F510 AromaticContact CD1-CD2 3.52Å; F451-F510 HydrophobicContact CD1-CD2 3.52Å; F451-F510 HydrophobicContact CD1-CE2 4.27Å; F451-F510 HydrophobicContact CD1-CG 4.35Å; F451-F510 AromaticContact CD2-CD2 3.82Å; F451-F510 HydrophobicContact CD2-CD2 3.82Å; F451-F510 AromaticContact CD2-CE2 3.72Å; F451-F510 HydrophobicContact CD2-CE2 3.72Å; F451-F510 HydrophobicContact CE1-CD2 4.09Å; F451-F510 HydrophobicContact CE2-CD2 4.37Å; F451-F510 HydrophobicContact CE2-CE2 4.38Å; F451-F510 AromaticContact CG-CD2 3.37Å; F451-F510 HydrophobicContact CG-CD2 3.37Å; F451-F510 AromaticContact CG-CE2 3.67Å; F451-F510 HydrophobicContact CG-CE2 3.67Å; F451-F510 HydrophobicContact CG-CG 4.39Å; F451-F510 HydrophobicContact CZ-CD2 4.49Å; I465-F510 HydrophobicContact CD1-CE1 4.39Å; I465-F510 HydrophobicContact CD1-CZ 4.37Å; E506-F510 WeakPolarHBondContact O-CB 3.22Å; E506-F510 PolarHBondContact O-N 2.88Å; L507-F510 HydrophobicContact CD1-CD1 4.36Å; L507-F510 PolarHBondContact O-N 3.01Å; F510-K512 PolarHBondContact O-N 2.87Å; F510-K512 VanDerWaalsContact O-N 3.13Å; F510-Y513 PolarHBondContact O-N 2.97Å; F510-I514 HydrophobicContact CD1-CG1 4.43Å; F510-I514 HydrophobicContact CD2-CD1 4.37Å; F510-I514 HydrophobicContact CE1-CD1 3.88Å; F510-I514 HydrophobicContact CE1-CG1 4.16Å; F510-I514 HydrophobicContact CE2-CD1 3.71Å; F510-I514 HydrophobicContact CE2-CG1 4.46Å; F510-I514 HydrophobicContact CZ-CD1 3.45Å; F510-I514 VanDerWaalsContact CZ-CD1 3.45Å; F510-I514 HydrophobicContact CZ-CG1 4.2Å
511L96.9Very high95.6Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-61.9-20.8179.5-71177.9000113.9W444 L494 A497 L507 H508 V509 Y513 I514 N573 F575W444-L511 HydrophobicContact CH2-CD2 4.49Å; W444-L511 HydrophobicContact CZ3-CD2 4.01Å; L494-L511 HydrophobicContact CD2-CD1 3.94Å; L494-L511 HydrophobicContact CD2-CD2 3.61Å; L494-L511 HydrophobicContact CD2-CG 4.36Å; A497-L511 HydrophobicContact CB-CD1 4.41Å; L507-L511 HydrophobicContact CD1-CD1 4.3Å; L507-L511 HydrophobicContact CD1-CD2 4.27Å; L507-L511 HydrophobicContact CD1-CG 4.01Å; L507-L511 HydrophobicContact CG-CD1 4.2Å; L507-L511 HydrophobicContact CG-CG 4.36Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 VanDerWaalsContact O-CG 3.23Å; L507-L511 WeakPolarHBondContact O-CG 3.49Å; L507-L511 PolarHBondContact O-N 3.46Å; H508-L511 PolarHBondContact O-N 3.26Å; V509-L511 VanDerWaalsContact C-N 3.31Å; V509-L511 PolarHBondContact O-N 3.11Å; L511-Y513 PolarHBondContact O-N 3.45Å; L511-I514 HydrophobicContact CD2-CG1 4.26Å; L511-I514 PolarHBondContact O-N 3.43Å; L511-N573 PolarHBondContact O-ND2 3.25Å; L511-N573 PolarHBondContact O-OD1 2.79Å; L511-F575 HydrophobicContact CB-CZ 4.19Å; L511-F575 HydrophobicContact CD2-CE1 4.36Å; L511-F575 HydrophobicContact CD2-CZ 3.88Å; L511-F575 HydrophobicContact CG-CZ 4.39Å
512K94.7Very high95.1Very high68 Ų6825.1 Ų25.130%0.29612%0.124SC..THydrogen-bonded Turntrans-63.4-27.8172.9-64.4178.4-179.9176.90112.2S193 H508 V509 F510S193-K512 VanDerWaalsContact CB-O 3.22Å; S193-K512 WeakPolarHBondContact CB-O 3.21Å; S193-K512 WeakPolarHBondContact OG-CA 3.45Å; S193-K512 PolarHBondContact OG-O 2.89Å; H508-K512 WeakPolarHBondContact NE2-CE 3.48Å; V509-K512 WeakPolarHBondContact O-CB 3.42Å; V509-K512 PolarHBondContact O-N 2.84Å; V509-K512 VanDerWaalsContact O-N 3.17Å; F510-K512 PolarHBondContact O-N 2.87Å; F510-K512 VanDerWaalsContact O-N 3.13Å
513Y95.6Very high94.8Very high16 Ų1622 Ų226%0.06311%0.109CC..THydrogen-bonded Turntrans-99-5.3-177-58.8-72.4000113.9P196 P202 F451 H457 W463 V509 F510 L511P196-Y513 HydrophobicContact CG-CE1 4.37Å; P196-Y513 WeakPolarHBondContact CG-OH 3.3Å; P202-Y513 VanDerWaalsContact C-OH 3.29Å; P202-Y513 WeakPolarHBondContact CA-OH 3.5Å; P202-Y513 WeakPolarHBondContact CB-OH 3.42Å; P202-Y513 PolarHBondContact O-OH 2.76Å; F451-Y513 AromaticContact CE1-CD2 3.61Å; F451-Y513 HydrophobicContact CE1-CD2 3.61Å; F451-Y513 HydrophobicContact CE1-CE2 4.01Å; F451-Y513 HydrophobicContact CE1-CG 4.36Å; F451-Y513 AromaticContact CZ-CD2 3.68Å; F451-Y513 HydrophobicContact CZ-CD2 3.68Å; F451-Y513 HydrophobicContact CZ-CE2 4.25Å; F451-Y513 AromaticContact CZ-CG 3.98Å; F451-Y513 HydrophobicContact CZ-CG 3.98Å; H457-Y513 AromaticContact CD2-CD1 3.77Å; H457-Y513 AromaticContact CD2-CE1 3.23Å; H457-Y513 WeakPolarHBondContact CD2-CE1 3.01Å; H457-Y513 AromaticContact CD2-CZ 3.79Å; H457-Y513 AromaticContact NE2-CE1 3.72Å; W463-Y513 PolarHBondContact N-O 3.26Å; W463-Y513 VanDerWaalsContact N-O 3.13Å; V509-Y513 HydrophobicContact CG1-CE2 4.23Å; V509-Y513 WeakPolarHBondContact O-CD2 3.4Å; F510-Y513 PolarHBondContact O-N 2.97Å; L511-Y513 PolarHBondContact O-N 3.45Å
514I97.5Very high94.2Very high2 Ų220.2 Ų20.21%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-84.2121.5172.8-58.6-50.7000109.2W463 I465 F510 L511 N573 F575W463-I514 HydrophobicContact CB-CD1 3.5Å; W463-I514 VanDerWaalsContact CB-CD1 3.5Å; W463-I514 CarbonylContact O-C 3.51Å; W463-I514 VanDerWaalsContact O-CA 3.28Å; W463-I514 WeakPolarHBondContact O-CA 3.08Å; I465-I514 HydrophobicContact CD1-CD1 3.85Å; I465-I514 HydrophobicContact CG1-CD1 3.96Å; I465-I514 HydrophobicContact CG1-CG1 4.25Å; I465-I514 HydrophobicContact CG1-CG2 3.83Å; F510-I514 HydrophobicContact CD1-CG1 4.43Å; F510-I514 HydrophobicContact CD2-CD1 4.37Å; F510-I514 HydrophobicContact CE1-CD1 3.88Å; F510-I514 HydrophobicContact CE1-CG1 4.16Å; F510-I514 HydrophobicContact CE2-CD1 3.71Å; F510-I514 HydrophobicContact CE2-CG1 4.46Å; F510-I514 HydrophobicContact CZ-CD1 3.45Å; F510-I514 VanDerWaalsContact CZ-CD1 3.45Å; F510-I514 HydrophobicContact CZ-CG1 4.2Å; L511-I514 HydrophobicContact CD2-CG1 4.26Å; L511-I514 PolarHBondContact O-N 3.43Å; I514-N573 PolarHBondContact O-ND2 3.14Å; I514-F575 HydrophobicContact CB-CD1 4.37Å; I514-F575 HydrophobicContact CB-CE1 3.94Å; I514-F575 HydrophobicContact CG2-CD1 3.94Å; I514-F575 HydrophobicContact CG2-CE1 3.94Å
515S96.1Very high93.4Very high2 Ų223 Ų231%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-88.8-21.6176.352.60000113.5M192 E431 W463 M464 Q576M192-S515 WeakPolarHBondContact CE-O 3.23Å; E431-S515 PolarHBondContact OE1-OG 3.3Å; W463-S515 PolarHBondContact O-N 3.27Å; W463-S515 PolarHBondContact O-OG 3.32Å; M464-S515 PolarHBondContact SD-OG 3.05Å; S515-Q576 PolarHBondContact O-N 3.37Å
516G97.6Very high92.1Very high0 Ų023.3 Ų23.30%011%0.112CC..EExtended strand (participates in β ladder)trans173.6-172.4-176.100000116.4M464 I465 Q576M464-G516 VanDerWaalsContact SD-C 3.51Å; M464-G516 WeakPolarHBondContact SD-CA 3.23Å; M464-G516 PolarHBondContact SD-N 3.32Å; I465-G516 PolarHBondContact N-O 3.1Å; G516-Q576 CarbonylContact C-O 3.57Å; G516-Q576 WeakPolarHBondContact CA-O 3.34Å
517F98.5Very high90.6Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-115.8145.6179.5-68.7-86.6000111.9W444 M464 I465 L494 I560 F575 Q576 F577 R578W444-F517 AromaticContact CH2-CE1 3.94Å; W444-F517 HydrophobicContact CH2-CE1 3.94Å; W444-F517 HydrophobicContact CH2-CZ 4.09Å; W444-F517 AromaticContact CZ2-CE1 3.89Å; W444-F517 HydrophobicContact CZ2-CE1 3.89Å; W444-F517 HydrophobicContact CZ2-CZ 4.23Å; M464-F517 WeakPolarHBondContact CE-O 3.46Å; I465-F517 HydrophobicContact CB-CD1 3.95Å; I465-F517 HydrophobicContact CB-CE1 3.96Å; I465-F517 HydrophobicContact CG2-CD1 4Å; I465-F517 HydrophobicContact CG2-CE1 3.9Å; I465-F517 CarbonylContact O-C 3.48Å; I465-F517 VanDerWaalsContact O-CA 3.27Å; I465-F517 WeakPolarHBondContact O-CA 3.5Å; L494-F517 HydrophobicContact CD1-CE1 4.17Å; L494-F517 HydrophobicContact CD1-CE2 4.42Å; L494-F517 HydrophobicContact CD1-CZ 3.51Å; F517-I560 HydrophobicContact CB-CD1 3.74Å; F517-I560 HydrophobicContact CD2-CD1 3.77Å; F517-I560 HydrophobicContact CD2-CG1 3.83Å; F517-I560 HydrophobicContact CE2-CG1 4.33Å; F517-I560 HydrophobicContact CG-CD1 3.9Å; F517-I560 HydrophobicContact CG-CG1 4.34Å; F517-F575 HydrophobicContact CD2-CB 3.84Å; F517-F575 HydrophobicContact CD2-CG 4.32Å; F517-F575 HydrophobicContact CE2-CB 3.73Å; F517-F575 HydrophobicContact CE2-CD1 4.38Å; F517-F575 AromaticContact CE2-CD2 3.84Å; F517-F575 HydrophobicContact CE2-CD2 3.84Å; F517-F575 AromaticContact CE2-CG 3.72Å; F517-F575 HydrophobicContact CE2-CG 3.72Å; F517-Q576 PolarHBondContact N-O 2.89Å; F517-F577 HydrophobicContact CB-CD2 4.09Å; F517-R578 PolarHBondContact O-N 3.17Å
518D98.3Very high88.9Confident0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-126.1149.2170.9-166.8-16.7000108.9R433 M464 I465 Q466 V467 P579 H580R433-D518 WeakPolarHBondContact CD-OD2 3.47Å; R433-D518 IonicContact CZ-OD2 3.73Å; R433-D518 IonicContact NE-OD2 3.62Å; R433-D518 PolarHBondContact NE-OD2 2.85Å; R433-D518 IonicContact NH2-OD2 2.7Å; M464-D518 HydrophobicContact CE-CB 4.45Å; I465-D518 PolarHBondContact O-N 3.49Å; Q466-D518 CarbonylContact C-O 3.6Å; Q466-D518 WeakPolarHBondContact CA-O 3.2Å; Q466-D518 HydrophobicContact CB-CB 4.21Å; V467-D518 PolarHBondContact N-O 3.27Å; D518-P579 VanDerWaalsContact OD1-C 3.29Å; D518-P579 VanDerWaalsContact OD1-CA 3.22Å; D518-P579 WeakPolarHBondContact OD1-CA 3.44Å; D518-H580 VanDerWaalsContact CG-ND1 3.25Å; D518-H580 IonicContact OD1-CE1 3.34Å; D518-H580 IonicContact OD1-CG 3.13Å; D518-H580 PolarHBondContact OD1-N 2.86Å; D518-H580 IonicContact OD1-ND1 2.79Å; D518-H580 PolarHBondContact OD1-ND1 3.38Å; D518-H580 IonicContact OD2-CE1 3.91Å; D518-H580 PolarHBondContact OD2-CE1 3.25Å; D518-H580 IonicContact OD2-ND1 3Å; D518-H580 PolarHBondContact OD2-ND1 2.75Å
519S96.3Very high87.6Confident0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-114.4125.9170.5-176.80000108.3V467 R469 H580V467-S519 WeakPolarHBondContact O-CA 3.46Å; R469-S519 WeakPolarHBondContact CD-OG 3.24Å; R469-S519 VanDerWaalsContact CG-OG 3.27Å; R469-S519 WeakPolarHBondContact CG-OG 3.45Å; R469-S519 PolarHBondContact NH1-O 3.15Å; R469-S519 PolarHBondContact NH1-OG 3.34Å; S519-H580 WeakPolarHBondContact O-CB 3.47Å; S519-H580 PolarHBondContact O-N 3.22Å; S519-H580 VanDerWaalsContact O-N 3.17Å
520V92.9Very high86.6Confident12 Ų1233.1 Ų33.17%0.07317%0.167CC..EExtended strand (participates in β ladder)trans-128.9153.5-172.5-53.30000111.3Q466 V467 P468 R469 H580Q466-V520 HydrophobicContact CB-CG1 3.86Å; Q466-V520 HydrophobicContact CB-CG2 4.22Å; Q466-V520 HydrophobicContact CG-CG2 4.42Å; V467-V520 PolarHBondContact O-N 3.3Å; P468-V520 CarbonylContact C-O 3.59Å; P468-V520 VanDerWaalsContact CA-O 3.23Å; P468-V520 WeakPolarHBondContact CA-O 3.48Å; P468-V520 HydrophobicContact CB-CG2 4.04Å; P468-V520 HydrophobicContact CG-CG2 3.85Å; R469-V520 PolarHBondContact N-O 3.12Å; V520-H580 VanDerWaalsContact CG1-CE1 3.46Å; V520-H580 WeakPolarHBondContact CG1-CE1 3.37Å; V520-H580 WeakPolarHBondContact CG1-ND1 3.46Å
521D87.4Confident85.8Confident35 Ų3533.8 Ų33.819%0.18717%0.17CC..SBendtrans160.6173163.2-169.523.3000106.5R469 E523 K525R469-D521 HydrophobicContact CB-CB 3.94Å; R469-D521 VanDerWaalsContact NH2-N 3.19Å; R469-D521 PolarHBondContact NH2-O 3.41Å; D521-E523 PolarHBondContact O-N 3.43Å; D521-K525 IonicContact OD1-NZ 2.89Å; D521-K525 PolarHBondContact OD1-NZ 2.83Å; D521-K525 IonicContact OD2-NZ 3.99Å; D521-K525 PolarHBondContact OD2-NZ 3.39Å
522D84.3Confident85.1Confident22 Ų2234.7 Ų34.712%0.11818%0.176CC..  trans-54.5106170.6-176.4-8000111.9F380 T524 K525F380-D522 HydrophobicContact CB-CB 4.23Å; F380-D522 VanDerWaalsContact CB-OD2 3.31Å; F380-D522 WeakPolarHBondContact CB-OD2 3.49Å; F380-D522 HydrophobicContact CD1-CB 4.09Å; F380-D522 HydrophobicContact CD2-CB 4.42Å; F380-D522 VanDerWaalsContact CD2-CG 3.45Å; F380-D522 WeakPolarHBondContact CD2-OD1 3.31Å; F380-D522 HydrophobicContact CE1-CB 4.34Å; F380-D522 WeakPolarHBondContact CE2-OD1 3.48Å; F380-D522 HydrophobicContact CG-CB 4.04Å; F380-D522 VanDerWaalsContact CG-CG 3.47Å; F380-D522 WeakPolarHBondContact CZ-OD1 3.46Å; D522-T524 VanDerWaalsContact CG-OG1 3.28Å; D522-T524 PolarHBondContact O-N 2.96Å; D522-T524 WeakPolarHBondContact OD1-CA 3.44Å; D522-T524 VanDerWaalsContact OD1-CB 3.31Å; D522-T524 WeakPolarHBondContact OD1-CB 3.28Å; D522-T524 PolarHBondContact OD1-N 3.38Å; D522-T524 PolarHBondContact OD1-OG1 2.95Å; D522-T524 PolarHBondContact OD2-OG1 3.07Å; D522-K525 HydrophobicContact CB-CD 4.24Å; D522-K525 HydrophobicContact CB-CG 4.16Å; D522-K525 PolarHBondContact O-N 2.73Å
523E86.8Confident84.4Confident6 Ų633.7 Ų33.73%0.02817%0.171CC..THydrogen-bonded Turntrans-70.7-11.8178.4-74.5-163.3-120.500113.3D521 K525 C581 G582 E583 A584 G585 H589D521-E523 PolarHBondContact O-N 3.43Å; E523-K525 VanDerWaalsContact C-N 3.31Å; E523-C581 VanDerWaalsContact OE1-CA 3.25Å; E523-C581 WeakPolarHBondContact OE1-CA 3.25Å; E523-C581 PolarHBondContact OE1-N 3.06Å; E523-G582 PolarHBondContact OE1-N 3.12Å; E523-G582 VanDerWaalsContact OE1-N 3.16Å; E523-G582 PolarHBondContact OE2-N 3.23Å; E523-E583 PolarHBondContact OE1-N 3.42Å; E523-A584 HydrophobicContact CB-CB 4.23Å; E523-G585 WeakPolarHBondContact O-CA 3.32Å; E523-G585 PolarHBondContact O-N 3.18Å; E523-H589 IonicContact OE2-CE1 2.68Å; E523-H589 IonicContact OE2-CG 3.73Å; E523-H589 IonicContact OE2-ND1 3.52Å; E523-H589 PolarHBondContact OE2-ND1 2.88Å
524T81.6Confident83.8Confident54 Ų5441 Ų4133%0.33120%0.198SC..THydrogen-bonded Turntrans-77-18.3177.267.90000112.9F380 D522 H526 A584F380-T524 HydrophobicContact CD2-CG2 4.3Å; F380-T524 HydrophobicContact CE2-CG2 3.64Å; D522-T524 VanDerWaalsContact CG-OG1 3.28Å; D522-T524 PolarHBondContact O-N 2.96Å; D522-T524 WeakPolarHBondContact OD1-CA 3.44Å; D522-T524 VanDerWaalsContact OD1-CB 3.31Å; D522-T524 WeakPolarHBondContact OD1-CB 3.28Å; D522-T524 PolarHBondContact OD1-N 3.38Å; D522-T524 PolarHBondContact OD1-OG1 2.95Å; D522-T524 PolarHBondContact OD2-OG1 3.07Å; T524-H526 PolarHBondContact O-CE1 3.32Å; T524-H526 PolarHBondContact O-N 3.35Å; T524-H526 VanDerWaalsContact O-N 3.14Å; T524-H526 PolarHBondContact O-ND1 3.06Å; T524-H526 VanDerWaalsContact O-ND1 3.11Å; T524-A584 HydrophobicContact CG2-CB 3.57Å
525K78.6Confident83.3Confident100 Ų10041.3 Ų41.344%0.43520%0.2SC..  trans-67.1112.9177.8-66.5178.8-169.5157.60110.8D521 D522 E523D521-K525 IonicContact OD1-NZ 2.89Å; D521-K525 PolarHBondContact OD1-NZ 2.83Å; D521-K525 IonicContact OD2-NZ 3.99Å; D521-K525 PolarHBondContact OD2-NZ 3.39Å; D522-K525 HydrophobicContact CB-CD 4.24Å; D522-K525 HydrophobicContact CB-CG 4.16Å; D522-K525 PolarHBondContact O-N 2.73Å; E523-K525 VanDerWaalsContact C-N 3.31Å
526H67.3Low83.1Confident89 Ų8943.2 Ų43.241%0.41221%0.213SC..  trans-73.9144.5176.8-5888.4000112.6E36 T524E36-H526 IonicContact OE2-CD2 2.77Å; E36-H526 PolarHBondContact OE2-CD2 2.98Å; E36-H526 IonicContact OE2-CE1 3.52Å; E36-H526 IonicContact OE2-NE2 3.95Å; E36-H526 PolarHBondContact OE2-NE2 3.46Å; T524-H526 PolarHBondContact O-CE1 3.32Å; T524-H526 PolarHBondContact O-N 3.35Å; T524-H526 VanDerWaalsContact O-N 3.14Å; T524-H526 PolarHBondContact O-ND1 3.06Å; T524-H526 VanDerWaalsContact O-ND1 3.11Å
527S66.6Low82.9Confident28 Ų2847.1 Ų47.120%0.19623%0.23CC..  trans-111127.7163.3-175.20000108.9Y29 H529Y29-S527 PolarHBondContact OH-O 2.68Å; S527-H529 PolarHBondContact O-N 3Å; S527-H529 PolarHBondContact OG-N 3.05Å
528N61.6Low82.7Confident161 Ų16147.1 Ų47.186%0.86123%0.23SC*.SBendtrans-68.1-11.4176.5-66.8-21.8000112.7
529H68.3Low82.5Confident63 Ų6350.1 Ų50.129%0.29224%0.244SC..  trans-97.3111.8-176.4-172.279.2000111.3S527 F531 S535 W541 P548S527-H529 PolarHBondContact O-N 3Å; S527-H529 PolarHBondContact OG-N 3.05Å; H529-F531 PolarHBondContact O-N 3.26Å; H529-S535 WeakPolarHBondContact NE2-CB 3.38Å; H529-S535 PolarHBondContact NE2-OG 3.12Å; H529-W541 HydrophobicContact CB-CH2 4.21Å; H529-W541 AromaticContact CD2-CH2 3.94Å; H529-W541 AromaticContact CD2-CZ3 3.98Å; H529-P548 WeakPolarHBondContact O-CB 3.26Å; H529-P548 WeakPolarHBondContact O-CG 3.25Å
530M74.4Confident82.4Confident38 Ų3855.7 Ų55.719%0.18727%0.27CS..  trans-73.7124169.7-171.6179.471.600109.9V25 E26 Y29 S532V25-M530 HydrophobicContact CG1-CE 4.43Å; V25-M530 HydrophobicContact CG1-SD 4.14Å; E26-M530 HydrophobicContact CG-CE 3.77Å; Y29-M530 HydrophobicContact CD1-CB 4Å; Y29-M530 HydrophobicContact CD1-CG 4.16Å; Y29-M530 HydrophobicContact CD1-SD 4.06Å; Y29-M530 HydrophobicContact CD2-CB 4.37Å; Y29-M530 HydrophobicContact CD2-CG 3.79Å; Y29-M530 HydrophobicContact CD2-SD 3.89Å; Y29-M530 HydrophobicContact CE1-CB 3.79Å; Y29-M530 HydrophobicContact CE1-CG 4.27Å; Y29-M530 HydrophobicContact CE2-CB 4.2Å; Y29-M530 HydrophobicContact CE2-CG 3.92Å; Y29-M530 HydrophobicContact CG-CB 4.29Å; Y29-M530 HydrophobicContact CG-CG 3.92Å; Y29-M530 HydrophobicContact CG-SD 3.59Å; Y29-M530 VanDerWaalsContact CG-SD 3.59Å; M530-S532 PolarHBondContact O-N 2.71Å
531F81.6Confident82.5Confident14 Ų1455.7 Ų55.76%0.06127%0.268CS..  trans-66.9119.8177.2-173-132.4000111.1L245 Y248 H529 S535 P548 Y551 F554 Y555L245-F531 HydrophobicContact CD1-CE1 3.99Å; L245-F531 HydrophobicContact CD1-CE2 3.6Å; L245-F531 HydrophobicContact CD1-CZ 3.16Å; Y248-F531 HydrophobicContact CD1-CD1 4.37Å; Y248-F531 AromaticContact CD1-CE1 3.69Å; Y248-F531 HydrophobicContact CD1-CE1 3.69Å; Y248-F531 AromaticContact CE1-CD1 3.88Å; Y248-F531 HydrophobicContact CE1-CD1 3.88Å; Y248-F531 AromaticContact CE1-CE1 3.49Å; Y248-F531 HydrophobicContact CE1-CE1 3.49Å; Y248-F531 VanDerWaalsContact CE1-CE1 3.49Å; H529-F531 PolarHBondContact O-N 3.26Å; F531-S535 WeakPolarHBondContact CD2-OG 3.36Å; F531-P548 HydrophobicContact CB-CG 4.26Å; F531-Y551 AromaticContact CD2-CD2 3.41Å; F531-Y551 HydrophobicContact CD2-CD2 3.41Å; F531-Y551 VanDerWaalsContact CD2-CD2 3.41Å; F531-Y551 HydrophobicContact CD2-CE2 4.23Å; F531-Y551 HydrophobicContact CD2-CG 4.15Å; F531-Y551 AromaticContact CE2-CD2 3.26Å; F531-Y551 HydrophobicContact CE2-CD2 3.26Å; F531-Y551 AromaticContact CE2-CE2 3.79Å; F531-Y551 HydrophobicContact CE2-CE2 3.79Å; F531-Y551 AromaticContact CE2-CG 3.99Å; F531-Y551 HydrophobicContact CE2-CG 3.99Å; F531-Y551 HydrophobicContact CG-CD2 4.46Å; F531-Y551 HydrophobicContact CZ-CD2 4.21Å; F531-F554 HydrophobicContact CE1-CB 3.64Å; F531-F554 HydrophobicContact CE1-CD1 4.14Å; F531-F554 AromaticContact CE1-CG 3.92Å; F531-F554 HydrophobicContact CE1-CG 3.92Å; F531-F554 HydrophobicContact CZ-CB 4Å; F531-F554 AromaticContact CZ-CD1 3.71Å; F531-F554 HydrophobicContact CZ-CD1 3.71Å; F531-F554 HydrophobicContact CZ-CE1 4.46Å; F531-F554 AromaticContact CZ-CG 3.98Å; F531-F554 HydrophobicContact CZ-CG 3.98Å; F531-Y555 HydrophobicContact CZ-CE2 4.41Å
532S82Confident82.8Confident19 Ų1957.7 Ų57.713%0.13328%0.282CS..  trans-143.4173178.567.70000111.2M530 R534 S535M530-S532 PolarHBondContact O-N 2.71Å; S532-R534 PolarHBondContact O-N 2.98Å; S532-R534 VanDerWaalsContact O-N 3.08Å; S532-R534 PolarHBondContact OG-N 3.14Å; S532-S535 PolarHBondContact N-OG 3.2Å; S532-S535 WeakPolarHBondContact O-CB 3.41Å; S532-S535 PolarHBondContact O-N 2.84Å; S532-S535 PolarHBondContact O-OG 2.92Å
533Y79.4Confident83.2Confident47 Ų4759.8 Ų59.818%0.18430%0.296CS..THydrogen-bonded Turntrans-60.3-19175.371.8-93.9000113.9L14 S535L14-Y533 HydrophobicContact CD1-CD1 4.12Å; L14-Y533 HydrophobicContact CD1-CD2 3.9Å; L14-Y533 HydrophobicContact CD1-CE1 3.84Å; L14-Y533 HydrophobicContact CD1-CE2 3.62Å; L14-Y533 HydrophobicContact CD1-CG 4.15Å; L14-Y533 HydrophobicContact CD2-CE1 4.4Å; Y533-S535 VanDerWaalsContact C-N 3.29Å
534R83.4Confident83.3Confident170 Ų17068.5 Ų68.564%0.64233%0.328SS*.THydrogen-bonded Turntrans-84.9-3.5175.6-59.7-175.5-177.1175.10.1113S532S532-R534 PolarHBondContact O-N 2.98Å; S532-R534 VanDerWaalsContact O-N 3.08Å; S532-R534 PolarHBondContact OG-N 3.14Å
535S87.2Confident83.7Confident7 Ų771.2 Ų71.25%0.04934%0.341CS..SBendtrans-62.5143.3180-53.90000110.4H529 F531 S532 Y533H529-S535 WeakPolarHBondContact NE2-CB 3.38Å; H529-S535 PolarHBondContact NE2-OG 3.12Å; F531-S535 WeakPolarHBondContact CD2-OG 3.36Å; S532-S535 PolarHBondContact N-OG 3.2Å; S532-S535 WeakPolarHBondContact O-CB 3.41Å; S532-S535 PolarHBondContact O-N 2.84Å; S532-S535 PolarHBondContact O-OG 2.92Å; Y533-S535 VanDerWaalsContact C-N 3.29Å
536P90.9Very high84.3Confident43 Ų4368 Ų6828%0.27933%0.329SS..PPolyproline II helixtrans-62.3144.5178.325.6-32.1000110.1Q540 W541 Y551P536-Q540 HydrophobicContact CB-CB 4.06Å; P536-W541 HydrophobicContact CG-CD2 4.36Å; P536-W541 HydrophobicContact CG-CE3 3.52Å; P536-W541 HydrophobicContact CG-CZ3 3.8Å; P536-Y551 VanDerWaalsContact O-CE2 3.3Å; P536-Y551 WeakPolarHBondContact O-CE2 3.41Å; P536-Y551 PolarHBondContact O-OH 3.43Å
537K92.7Very high85.5Confident82 Ų8264 Ų6436%0.35731%0.31SS..PPolyproline II helixtrans-66.6159.4175.8-65175.8169.8-169.80110.9N220 E539 Q540 W541N220-K537 HydrophobicContact CB-CD 4.34Å; N220-K537 WeakPolarHBondContact OD1-CD 3.45Å; N220-K537 WeakPolarHBondContact OD1-CE 3.5Å; N220-K537 PolarHBondContact OD1-NZ 3.06Å; K537-E539 PolarHBondContact O-N 3.19Å; K537-E539 VanDerWaalsContact O-N 3.1Å; K537-Q540 HydrophobicContact CB-CG 4.34Å; K537-Q540 VanDerWaalsContact N-OE1 3.08Å; K537-Q540 CarbonylContact O-C 3.55Å; K537-Q540 WeakPolarHBondContact O-CA 3.19Å; K537-Q540 WeakPolarHBondContact O-CB 3.36Å; K537-Q540 PolarHBondContact O-N 3.41Å; K537-W541 PolarHBondContact O-N 3.37Å
538P95.1Very high86.7Confident0 Ų063.1 Ų63.10%030%0.304CS..THydrogen-bonded Turntrans-56.8-32.3-175.7-34.943.8000114.1F483 A484 L487 Q540 Y551 Y555F483-P538 HydrophobicContact CD1-CB 4.06Å; F483-P538 HydrophobicContact CD1-CG 4.42Å; F483-P538 PolarHBondContact N-O 3.02Å; A484-P538 HydrophobicContact CB-CB 3.79Å; A484-P538 PolarHBondContact N-O 3.09Å; L487-P538 HydrophobicContact CD1-CB 3.98Å; L487-P538 HydrophobicContact CD1-CG 4.03Å; P538-Q540 VanDerWaalsContact C-N 3.29Å; P538-Q540 PolarHBondContact O-N 3.34Å; P538-Y551 VanDerWaalsContact CA-OH 3.31Å; P538-Y551 WeakPolarHBondContact CA-OH 3.27Å; P538-Y551 VanDerWaalsContact CD-OH 3.28Å; P538-Y551 WeakPolarHBondContact CD-OH 3.35Å; P538-Y551 HydrophobicContact CG-CE1 4.13Å; P538-Y551 WeakPolarHBondContact CG-OH 3.39Å; P538-Y555 WeakPolarHBondContact CD-OH 3.47Å; P538-Y555 HydrophobicContact CG-CD1 3.85Å; P538-Y555 HydrophobicContact CG-CD2 3.99Å; P538-Y555 HydrophobicContact CG-CE1 3.48Å; P538-Y555 VanDerWaalsContact CG-CE1 3.48Å; P538-Y555 HydrophobicContact CG-CE2 3.63Å; P538-Y555 HydrophobicContact CG-CG 4.11Å
539E94.9Very high88.2Confident63 Ų6356.1 Ų56.129%0.29427%0.265SS..THydrogen-bonded Turntrans-71.8-27.5177.3-59.377.9-174.100112.2N220 G221 N482 A484 K537N220-E539 WeakPolarHBondContact CA-OE1 3.4Å; N220-E539 WeakPolarHBondContact CA-OE2 3.43Å; N220-E539 PolarHBondContact N-OE1 2.82Å; G221-E539 PolarHBondContact N-OE1 2.86Å; N482-E539 PolarHBondContact ND2-O 3.46Å; N482-E539 VanDerWaalsContact ND2-O 3.1Å; A484-E539 HydrophobicContact CB-CB 4.33Å; A484-E539 HydrophobicContact CB-CG 3.72Å; K537-E539 PolarHBondContact O-N 3.19Å; K537-E539 VanDerWaalsContact O-N 3.1Å
540Q94.3Very high89.4Confident117 Ų11753.7 Ų53.755%0.54726%0.255SS..THydrogen-bonded Turntrans-89.4-21.1-179.4-60.7171.9-28.100112P536 K537 P538 T542P536-Q540 HydrophobicContact CB-CB 4.06Å; K537-Q540 HydrophobicContact CB-CG 4.34Å; K537-Q540 VanDerWaalsContact N-OE1 3.08Å; K537-Q540 CarbonylContact O-C 3.55Å; K537-Q540 WeakPolarHBondContact O-CA 3.19Å; K537-Q540 WeakPolarHBondContact O-CB 3.36Å; K537-Q540 PolarHBondContact O-N 3.41Å; P538-Q540 VanDerWaalsContact C-N 3.29Å; P538-Q540 PolarHBondContact O-N 3.34Å; Q540-T542 VanDerWaalsContact C-N 3.25Å; Q540-T542 PolarHBondContact O-N 2.79Å; Q540-T542 PolarHBondContact O-OG1 2.83Å
541W94.3Very high90.3Very high11 Ų1151.9 Ų51.94%0.04225%0.247CC..  trans-69.984.6173.7-159.9-67.5000110.2Y471 N482 F483 H529 P536 K537 T543 D545 P547 Y551Y471-W541 AromaticContact CE1-CD1 3.73Å; Y471-W541 AromaticContact CE1-NE1 3.98Å; Y471-W541 PolarHBondContact OH-O 3.03Å; N482-W541 VanDerWaalsContact CA-O 3.29Å; N482-W541 WeakPolarHBondContact CA-O 3.48Å; N482-W541 WeakPolarHBondContact CB-O 3.12Å; F483-W541 HydrophobicContact CB-CB 3.93Å; F483-W541 HydrophobicContact CB-CG 4.29Å; F483-W541 PolarHBondContact N-O 3.06Å; F483-W541 VanDerWaalsContact N-O 3.16Å; H529-W541 HydrophobicContact CB-CH2 4.21Å; H529-W541 AromaticContact CD2-CH2 3.94Å; H529-W541 AromaticContact CD2-CZ3 3.98Å; P536-W541 HydrophobicContact CG-CD2 4.36Å; P536-W541 HydrophobicContact CG-CE3 3.52Å; P536-W541 HydrophobicContact CG-CZ3 3.8Å; K537-W541 PolarHBondContact O-N 3.37Å; W541-T543 PolarHBondContact NE1-OG1 2.9Å; W541-D545 PolarHBondContact NE1-O 2.96Å; W541-P547 HydrophobicContact CD2-CB 4.38Å; W541-P547 HydrophobicContact CD2-CG 4.01Å; W541-P547 HydrophobicContact CG-CG 4.24Å; W541-P547 HydrophobicContact CH2-CB 4.41Å; W541-P547 HydrophobicContact CZ2-CB 4.14Å; W541-P547 HydrophobicContact CZ2-CG 4.22Å; W541-Y551 HydrophobicContact CE3-CD2 4.29Å; W541-Y551 AromaticContact CE3-CE2 3.8Å; W541-Y551 HydrophobicContact CE3-CE2 3.8Å; W541-Y551 AromaticContact CE3-CZ 3.97Å; W541-Y551 HydrophobicContact CZ3-CD2 4.13Å; W541-Y551 HydrophobicContact CZ3-CE2 4.01Å
542T94Very high91Very high77 Ų7751.5 Ų51.547%0.47225%0.245SC..  trans-113.9-2.4-176.451.70000112.3K475 N482 Q540K475-T542 WeakPolarHBondContact CE-O 3.45Å; K475-T542 PolarHBondContact NZ-O 3.01Å; N482-T542 HydrophobicContact CB-CG2 3.95Å; Q540-T542 VanDerWaalsContact C-N 3.25Å; Q540-T542 PolarHBondContact O-N 2.79Å; Q540-T542 PolarHBondContact O-OG1 2.83Å
543T91.6Very high91.7Very high66 Ų6650.6 Ų50.641%0.40524%0.238SC..SBendtrans-65.1164175.159.60000110.6Y471 W541 D545Y471-T543 WeakPolarHBondContact CE1-O 3.3Å; Y471-T543 PolarHBondContact OH-O 3.46Å; W541-T543 PolarHBondContact NE1-OG1 2.9Å; T543-D545 VanDerWaalsContact C-N 3.31Å
544R89.5Confident92.5Very high189 Ų18948.5 Ų48.571%0.71323%0.23SC*.SBendtrans-79.8-18.1175-68.4-174.9177-177.2-0.8112.6D472 K475D472-R544 WeakPolarHBondContact CB-O 3.39Å; K475-R544 HydrophobicContact CG-CG 4.43Å
545D90.1Very high93.1Very high111 Ų11140.6 Ų40.659%0.59420%0.201SC*.SBendtrans-68.4142.1-179.3-51.9-40.1000110.7W541 T543W541-D545 PolarHBondContact NE1-O 2.96Å; T543-D545 VanDerWaalsContact C-N 3.31Å
546N91.4Very high93.6Very high34 Ų3440.3 Ų40.318%0.18220%0.199CC..PPolyproline II helixtrans-71133.8175.8-157.423.3000110R469 Y471 D472 Y552R469-N546 PolarHBondContact O-ND2 3.21Å; Y471-N546 PolarHBondContact N-OD1 3.41Å; D472-N546 HydrophobicContact CB-CB 3.95Å; N546-Y552 PolarHBondContact OD1-OH 3.24Å
547P92.7Very high94Very high4 Ų438.3 Ų38.33%0.02619%0.185CC..PPolyproline II helixtrans-57.4149171.5-21.729.6000111.9Y471 F483 W541 Y551 Y552Y471-P547 HydrophobicContact CD1-CG 4.38Å; F483-P547 HydrophobicContact CD2-CG 3.65Å; F483-P547 HydrophobicContact CE2-CG 3.93Å; F483-P547 HydrophobicContact CG-CG 4.02Å; F483-P547 HydrophobicContact CZ-CG 4.5Å; W541-P547 HydrophobicContact CD2-CB 4.38Å; W541-P547 HydrophobicContact CD2-CG 4.01Å; W541-P547 HydrophobicContact CG-CG 4.24Å; W541-P547 HydrophobicContact CH2-CB 4.41Å; W541-P547 HydrophobicContact CZ2-CB 4.14Å; W541-P547 HydrophobicContact CZ2-CG 4.22Å; P547-Y551 HydrophobicContact CB-CD1 3.83Å; P547-Y551 HydrophobicContact CB-CE1 4.48Å; P547-Y551 HydrophobicContact CB-CG 4.02Å; P547-Y552 HydrophobicContact CB-CD2 4.01Å; P547-Y552 HydrophobicContact CB-CE2 3.73Å; P547-Y552 HydrophobicContact CG-CE2 3.95Å; P547-Y552 WeakPolarHBondContact O-CE2 3.4Å
548P92.2Very high94.2Very high9 Ų934.4 Ų34.46%0.05817%0.168CC..PPolyproline II helixtrans-66.8157.9178.729-35.1000111.2H529 F531 S550 Y551 Y552H529-P548 WeakPolarHBondContact O-CB 3.26Å; H529-P548 WeakPolarHBondContact O-CG 3.25Å; F531-P548 HydrophobicContact CB-CG 4.26Å; P548-S550 VanDerWaalsContact C-N 3.34Å; P548-S550 PolarHBondContact O-N 3.45Å; P548-Y551 WeakPolarHBondContact O-CB 3.43Å; P548-Y551 PolarHBondContact O-N 2.92Å; P548-Y552 PolarHBondContact O-N 3.3Å
549Y93.1Very high94.3Very high14 Ų1434.4 Ų34.46%0.05517%0.168CC..Hα-helixtrans-48.6-51.5179.7177.5-88.7000112.9Y551 Y552 I553 H580 C581 H589Y549-Y551 PolarHBondContact O-N 2.8Å; Y549-Y551 VanDerWaalsContact O-N 3.12Å; Y549-Y552 WeakPolarHBondContact O-CB 3.44Å; Y549-Y552 PolarHBondContact O-N 3.43Å; Y549-Y552 VanDerWaalsContact O-N 3.08Å; Y549-I553 HydrophobicContact CD1-CG1 3.7Å; Y549-I553 HydrophobicContact CD2-CG1 4.43Å; Y549-I553 HydrophobicContact CE1-CB 4.44Å; Y549-I553 HydrophobicContact CE1-CD1 4.02Å; Y549-I553 HydrophobicContact CE1-CG1 3.28Å; Y549-I553 HydrophobicContact CE2-CD1 4.01Å; Y549-I553 HydrophobicContact CE2-CG1 4.06Å; Y549-I553 HydrophobicContact CG-CG1 4.26Å; Y549-I553 VanDerWaalsContact CZ-CG1 3.45Å; Y549-I553 WeakPolarHBondContact O-CG1 3.5Å; Y549-I553 PolarHBondContact O-N 2.87Å; Y549-H580 WeakPolarHBondContact CE2-O 3.32Å; Y549-H580 PolarHBondContact OH-O 3.44Å; Y549-H580 VanDerWaalsContact OH-O 3.09Å; Y549-C581 VanDerWaalsContact OH-CB 3.26Å; Y549-C581 WeakPolarHBondContact OH-CB 3.33Å; Y549-C581 PolarHBondContact OH-SG 3.49Å; Y549-H589 VanDerWaalsContact CB-CD2 3.46Å; Y549-H589 WeakPolarHBondContact CB-CD2 3.13Å; Y549-H589 WeakPolarHBondContact CB-NE2 3.11Å; Y549-H589 HydrophobicContact CD1-CB 3.58Å; Y549-H589 AromaticContact CD1-CD2 3.53Å; Y549-H589 AromaticContact CD1-CG 3.5Å; Y549-H589 VanDerWaalsContact CE1-CA 3.49Å; Y549-H589 HydrophobicContact CE1-CB 3.5Å; Y549-H589 VanDerWaalsContact CE1-CB 3.5Å; Y549-H589 AromaticContact CE1-CG 3.92Å; Y549-H589 WeakPolarHBondContact CE1-O 3.23Å; Y549-H589 HydrophobicContact CG-CB 4.16Å; Y549-H589 AromaticContact CG-CD2 3.54Å; Y549-H589 AromaticContact CG-CG 3.61Å; Y549-H589 AromaticContact CG-ND1 3.92Å; Y549-H589 AromaticContact CG-NE2 3.83Å
550S92.7Very high94.5Very high12 Ų1231.4 Ų31.48%0.08415%0.154CC..Hα-helixtrans-58.6-28.6-179.6-58.30000113.8P548 F554 S592P548-S550 VanDerWaalsContact C-N 3.34Å; P548-S550 PolarHBondContact O-N 3.45Å; S550-F554 WeakPolarHBondContact O-CB 3.48Å; S550-F554 PolarHBondContact O-N 3.3Å; S550-S592 VanDerWaalsContact CB-OG 3.26Å; S550-S592 WeakPolarHBondContact CB-OG 3.48Å; S550-S592 PolarHBondContact OG-OG 3.34Å
551Y94.1Very high94.6Very high0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-69.5-48.7176.1-165.9-76000110.7F483 F531 P536 P538 W541 P547 P548 Y549 I553 F554 Y555F483-Y551 HydrophobicContact CD1-CD1 4.08Å; F483-Y551 AromaticContact CD1-CE1 3.5Å; F483-Y551 HydrophobicContact CD1-CE1 3.5Å; F483-Y551 VanDerWaalsContact CD1-CE1 3.5Å; F483-Y551 AromaticContact CE1-CD1 3.78Å; F483-Y551 HydrophobicContact CE1-CD1 3.78Å; F483-Y551 AromaticContact CE1-CE1 3.64Å; F483-Y551 HydrophobicContact CE1-CE1 3.64Å; F483-Y551 HydrophobicContact CG-CE1 4.36Å; F483-Y551 HydrophobicContact CZ-CD1 4.43Å; F531-Y551 AromaticContact CD2-CD2 3.41Å; F531-Y551 HydrophobicContact CD2-CD2 3.41Å; F531-Y551 VanDerWaalsContact CD2-CD2 3.41Å; F531-Y551 HydrophobicContact CD2-CE2 4.23Å; F531-Y551 HydrophobicContact CD2-CG 4.15Å; F531-Y551 AromaticContact CE2-CD2 3.26Å; F531-Y551 HydrophobicContact CE2-CD2 3.26Å; F531-Y551 AromaticContact CE2-CE2 3.79Å; F531-Y551 HydrophobicContact CE2-CE2 3.79Å; F531-Y551 AromaticContact CE2-CG 3.99Å; F531-Y551 HydrophobicContact CE2-CG 3.99Å; F531-Y551 HydrophobicContact CG-CD2 4.46Å; F531-Y551 HydrophobicContact CZ-CD2 4.21Å; P536-Y551 VanDerWaalsContact O-CE2 3.3Å; P536-Y551 WeakPolarHBondContact O-CE2 3.41Å; P536-Y551 PolarHBondContact O-OH 3.43Å; P538-Y551 VanDerWaalsContact CA-OH 3.31Å; P538-Y551 WeakPolarHBondContact CA-OH 3.27Å; P538-Y551 VanDerWaalsContact CD-OH 3.28Å; P538-Y551 WeakPolarHBondContact CD-OH 3.35Å; P538-Y551 HydrophobicContact CG-CE1 4.13Å; P538-Y551 WeakPolarHBondContact CG-OH 3.39Å; W541-Y551 HydrophobicContact CE3-CD2 4.29Å; W541-Y551 AromaticContact CE3-CE2 3.8Å; W541-Y551 HydrophobicContact CE3-CE2 3.8Å; W541-Y551 AromaticContact CE3-CZ 3.97Å; W541-Y551 HydrophobicContact CZ3-CD2 4.13Å; W541-Y551 HydrophobicContact CZ3-CE2 4.01Å; P547-Y551 HydrophobicContact CB-CD1 3.83Å; P547-Y551 HydrophobicContact CB-CE1 4.48Å; P547-Y551 HydrophobicContact CB-CG 4.02Å; P548-Y551 WeakPolarHBondContact O-CB 3.43Å; P548-Y551 PolarHBondContact O-N 2.92Å; Y549-Y551 PolarHBondContact O-N 2.8Å; Y549-Y551 VanDerWaalsContact O-N 3.12Å; Y551-I553 PolarHBondContact O-N 3.44Å; Y551-F554 PolarHBondContact O-N 2.86Å; Y551-Y555 AromaticContact CD1-CD2 3.47Å; Y551-Y555 HydrophobicContact CD1-CD2 3.47Å; Y551-Y555 VanDerWaalsContact CD1-CD2 3.47Å; Y551-Y555 AromaticContact CD1-CE2 3.67Å; Y551-Y555 HydrophobicContact CD1-CE2 3.67Å; Y551-Y555 HydrophobicContact CD2-CE2 4.15Å; Y551-Y555 AromaticContact CE1-CD2 3.31Å; Y551-Y555 HydrophobicContact CE1-CD2 3.31Å; Y551-Y555 AromaticContact CE1-CE2 3.22Å; Y551-Y555 HydrophobicContact CE1-CE2 3.22Å; Y551-Y555 HydrophobicContact CE1-CG 4.5Å; Y551-Y555 AromaticContact CE2-CE2 3.75Å; Y551-Y555 HydrophobicContact CE2-CE2 3.75Å; Y551-Y555 HydrophobicContact CG-CD2 4.16Å; Y551-Y555 HydrophobicContact CG-CE2 4.09Å; Y551-Y555 AromaticContact CZ-CD2 3.9Å; Y551-Y555 AromaticContact CZ-CE2 3.27Å; Y551-Y555 VanDerWaalsContact O-CD2 3.27Å; Y551-Y555 WeakPolarHBondContact O-CD2 3.45Å; Y551-Y555 PolarHBondContact O-N 3.29Å
552Y95.5Very high94.7Very high6 Ų625.5 Ų25.52%0.02413%0.127CC..Hα-helixtrans-56.8-50.6173.9-84-94.5000111.3R469 Y471 F483 N546 P547 P548 Y549 F554 Y555 M556R469-Y552 HydrophobicContact CB-CD1 4.28Å; R469-Y552 HydrophobicContact CB-CD2 4.35Å; R469-Y552 HydrophobicContact CB-CE1 4Å; R469-Y552 HydrophobicContact CB-CE2 4.08Å; R469-Y552 HydrophobicContact CB-CG 4.43Å; R469-Y552 HydrophobicContact CG-CD1 3.83Å; R469-Y552 HydrophobicContact CG-CD2 4.21Å; R469-Y552 HydrophobicContact CG-CE1 4.04Å; R469-Y552 HydrophobicContact CG-CE2 4.41Å; R469-Y552 HydrophobicContact CG-CG 3.89Å; Y471-Y552 WeakPolarHBondContact CB-OH 3.28Å; Y471-Y552 PolarHBondContact N-OH 3.47Å; F483-Y552 AromaticContact CE2-CD1 3.91Å; F483-Y552 HydrophobicContact CE2-CD1 3.91Å; F483-Y552 AromaticContact CE2-CE1 3.37Å; F483-Y552 HydrophobicContact CE2-CE1 3.37Å; F483-Y552 HydrophobicContact CE2-CE2 4.06Å; F483-Y552 HydrophobicContact CE2-CG 4.46Å; F483-Y552 AromaticContact CE2-CZ 3.47Å; F483-Y552 VanDerWaalsContact CE2-CZ 3.47Å; F483-Y552 AromaticContact CZ-CD1 3.64Å; F483-Y552 HydrophobicContact CZ-CD1 3.64Å; F483-Y552 HydrophobicContact CZ-CD2 4.37Å; F483-Y552 AromaticContact CZ-CE1 3.63Å; F483-Y552 HydrophobicContact CZ-CE1 3.63Å; F483-Y552 HydrophobicContact CZ-CE2 4.36Å; F483-Y552 HydrophobicContact CZ-CG 4.04Å; N546-Y552 PolarHBondContact OD1-OH 3.24Å; P547-Y552 HydrophobicContact CB-CD2 4.01Å; P547-Y552 HydrophobicContact CB-CE2 3.73Å; P547-Y552 HydrophobicContact CG-CE2 3.95Å; P547-Y552 WeakPolarHBondContact O-CE2 3.4Å; P548-Y552 PolarHBondContact O-N 3.3Å; Y549-Y552 WeakPolarHBondContact O-CB 3.44Å; Y549-Y552 PolarHBondContact O-N 3.43Å; Y549-Y552 VanDerWaalsContact O-N 3.08Å; Y552-F554 PolarHBondContact O-N 3.07Å; Y552-Y555 PolarHBondContact O-N 3.44Å; Y552-M556 VanDerWaalsContact O-CB 3.3Å; Y552-M556 WeakPolarHBondContact O-CB 3.48Å; Y552-M556 VanDerWaalsContact O-CG 3.23Å; Y552-M556 WeakPolarHBondContact O-CG 3.46Å; Y552-M556 PolarHBondContact O-N 3.5Å
553I96.1Very high94.9Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-59.4-45.3-177.6-64.9-47.9000111.4Y549 Y551 Y557 F577 P579 T596Y549-I553 HydrophobicContact CD1-CG1 3.7Å; Y549-I553 HydrophobicContact CD2-CG1 4.43Å; Y549-I553 HydrophobicContact CE1-CB 4.44Å; Y549-I553 HydrophobicContact CE1-CD1 4.02Å; Y549-I553 HydrophobicContact CE1-CG1 3.28Å; Y549-I553 HydrophobicContact CE2-CD1 4.01Å; Y549-I553 HydrophobicContact CE2-CG1 4.06Å; Y549-I553 HydrophobicContact CG-CG1 4.26Å; Y549-I553 VanDerWaalsContact CZ-CG1 3.45Å; Y549-I553 WeakPolarHBondContact O-CG1 3.5Å; Y549-I553 PolarHBondContact O-N 2.87Å; Y551-I553 PolarHBondContact O-N 3.44Å; I553-Y557 WeakPolarHBondContact O-CB 3.24Å; I553-Y557 PolarHBondContact O-N 2.7Å; I553-F577 HydrophobicContact CB-CE1 4.49Å; I553-F577 HydrophobicContact CD1-CE1 4.15Å; I553-F577 HydrophobicContact CD1-CZ 3.61Å; I553-F577 HydrophobicContact CG2-CE1 3.84Å; I553-F577 HydrophobicContact CG2-CZ 4.39Å; I553-P579 HydrophobicContact CD1-CB 3.84Å; I553-P579 HydrophobicContact CD1-CG 4.3Å; I553-T596 HydrophobicContact CG2-CG2 4.35Å; I553-T596 WeakPolarHBondContact CG2-OG1 3.5Å
554F96.1Very high95.2Very high4 Ų418.7 Ų18.72%0.0189%0.086CC..Hα-helixtrans-61.1-52.3178.4170.3-105.1000112.6P243 L245 Y248 F531 S550 Y551 Y552 M556 Y557 G558P243-F554 HydrophobicContact CG-CE2 4.25Å; L245-F554 HydrophobicContact CB-CE1 4.3Å; L245-F554 HydrophobicContact CB-CZ 4.25Å; L245-F554 HydrophobicContact CD1-CD1 4.19Å; L245-F554 HydrophobicContact CD1-CE1 3.88Å; L245-F554 HydrophobicContact CD1-CZ 4.3Å; Y248-F554 VanDerWaalsContact CB-CE2 3.45Å; Y248-F554 HydrophobicContact CD1-CB 4.14Å; Y248-F554 AromaticContact CD1-CD2 3.39Å; Y248-F554 HydrophobicContact CD1-CD2 3.39Å; Y248-F554 HydrophobicContact CD1-CE2 4Å; Y248-F554 AromaticContact CD1-CG 3.88Å; Y248-F554 HydrophobicContact CD1-CG 3.88Å; Y248-F554 AromaticContact CD2-CD2 3.78Å; Y248-F554 HydrophobicContact CD2-CD2 3.78Å; Y248-F554 HydrophobicContact CD2-CE2 4.27Å; Y248-F554 HydrophobicContact CE1-CB 3.84Å; Y248-F554 AromaticContact CE1-CD2 3.91Å; Y248-F554 HydrophobicContact CE1-CD2 3.91Å; Y248-F554 HydrophobicContact CE1-CG 4.12Å; Y248-F554 HydrophobicContact CE2-CD2 4.22Å; Y248-F554 AromaticContact CG-CD2 3.31Å; Y248-F554 HydrophobicContact CG-CD2 3.31Å; Y248-F554 AromaticContact CG-CE2 3.63Å; Y248-F554 HydrophobicContact CG-CE2 3.63Å; Y248-F554 HydrophobicContact CG-CG 4.25Å; F531-F554 HydrophobicContact CE1-CB 3.64Å; F531-F554 HydrophobicContact CE1-CD1 4.14Å; F531-F554 AromaticContact CE1-CG 3.92Å; F531-F554 HydrophobicContact CE1-CG 3.92Å; F531-F554 HydrophobicContact CZ-CB 4Å; F531-F554 AromaticContact CZ-CD1 3.71Å; F531-F554 HydrophobicContact CZ-CD1 3.71Å; F531-F554 HydrophobicContact CZ-CE1 4.46Å; F531-F554 AromaticContact CZ-CG 3.98Å; F531-F554 HydrophobicContact CZ-CG 3.98Å; S550-F554 WeakPolarHBondContact O-CB 3.48Å; S550-F554 PolarHBondContact O-N 3.3Å; Y551-F554 PolarHBondContact O-N 2.86Å; Y552-F554 PolarHBondContact O-N 3.07Å; F554-M556 PolarHBondContact O-N 2.95Å; F554-Y557 PolarHBondContact O-N 2.9Å; F554-G558 PolarHBondContact O-N 3.5Å
555Y97.4Very high95.5Very high4 Ų410.2 Ų10.22%0.0166%0.055CC..Hα-helixtrans-70.2-34.2-176.9-75.9-69.1000112.6N220 I222 F483 L487 F531 P538 Y551 Y552 N559N220-Y555 WeakPolarHBondContact O-CE1 3.06Å; I222-Y555 HydrophobicContact CD1-CD1 3.93Å; I222-Y555 HydrophobicContact CG1-CD1 4.46Å; F483-Y555 HydrophobicContact CE1-CD2 4.48Å; L487-Y555 HydrophobicContact CD1-CD1 4.17Å; L487-Y555 HydrophobicContact CD1-CG 3.92Å; F531-Y555 HydrophobicContact CZ-CE2 4.41Å; P538-Y555 WeakPolarHBondContact CD-OH 3.47Å; P538-Y555 HydrophobicContact CG-CD1 3.85Å; P538-Y555 HydrophobicContact CG-CD2 3.99Å; P538-Y555 HydrophobicContact CG-CE1 3.48Å; P538-Y555 VanDerWaalsContact CG-CE1 3.48Å; P538-Y555 HydrophobicContact CG-CE2 3.63Å; P538-Y555 HydrophobicContact CG-CG 4.11Å; Y551-Y555 AromaticContact CD1-CD2 3.47Å; Y551-Y555 HydrophobicContact CD1-CD2 3.47Å; Y551-Y555 VanDerWaalsContact CD1-CD2 3.47Å; Y551-Y555 AromaticContact CD1-CE2 3.67Å; Y551-Y555 HydrophobicContact CD1-CE2 3.67Å; Y551-Y555 HydrophobicContact CD2-CE2 4.15Å; Y551-Y555 AromaticContact CE1-CD2 3.31Å; Y551-Y555 HydrophobicContact CE1-CD2 3.31Å; Y551-Y555 AromaticContact CE1-CE2 3.22Å; Y551-Y555 HydrophobicContact CE1-CE2 3.22Å; Y551-Y555 HydrophobicContact CE1-CG 4.5Å; Y551-Y555 AromaticContact CE2-CE2 3.75Å; Y551-Y555 HydrophobicContact CE2-CE2 3.75Å; Y551-Y555 HydrophobicContact CG-CD2 4.16Å; Y551-Y555 HydrophobicContact CG-CE2 4.09Å; Y551-Y555 AromaticContact CZ-CD2 3.9Å; Y551-Y555 AromaticContact CZ-CE2 3.27Å; Y551-Y555 VanDerWaalsContact O-CD2 3.27Å; Y551-Y555 WeakPolarHBondContact O-CD2 3.45Å; Y551-Y555 PolarHBondContact O-N 3.29Å; Y552-Y555 PolarHBondContact O-N 3.44Å; Y555-N559 PolarHBondContact O-N 3.41Å; Y555-N559 PolarHBondContact O-ND2 3Å
556M97.9Very high95.8Very high1 Ų15 Ų51%0.0053%0.027CC..Hα-helixtrans-64.3-49.8172.3-72.1-178.770.500110.8V467 F491 Y552 F554 G558 N559 I560 F577V467-M556 HydrophobicContact CB-CE 3.71Å; V467-M556 HydrophobicContact CB-SD 4.34Å; V467-M556 HydrophobicContact CG1-CE 4.3Å; V467-M556 HydrophobicContact CG1-SD 4.42Å; V467-M556 HydrophobicContact CG2-CE 3.73Å; F491-M556 HydrophobicContact CE2-CB 4.5Å; F491-M556 HydrophobicContact CE2-CG 4.21Å; F491-M556 HydrophobicContact CZ-CB 4.09Å; F491-M556 HydrophobicContact CZ-CG 4.1Å; Y552-M556 VanDerWaalsContact O-CB 3.3Å; Y552-M556 WeakPolarHBondContact O-CB 3.48Å; Y552-M556 VanDerWaalsContact O-CG 3.23Å; Y552-M556 WeakPolarHBondContact O-CG 3.46Å; Y552-M556 PolarHBondContact O-N 3.5Å; F554-M556 PolarHBondContact O-N 2.95Å; M556-G558 PolarHBondContact O-N 3.4Å; M556-N559 PolarHBondContact O-N 2.84Å; M556-I560 WeakPolarHBondContact O-CB 3.08Å; M556-I560 WeakPolarHBondContact O-CD1 3.26Å; M556-I560 WeakPolarHBondContact O-CG1 3.39Å; M556-I560 PolarHBondContact O-N 3.19Å; M556-F577 HydrophobicContact CB-CE2 4.22Å; M556-F577 HydrophobicContact CB-CZ 3.94Å; M556-F577 HydrophobicContact CE-CE2 3.92Å; M556-F577 HydrophobicContact SD-CE2 4.45Å; M556-F577 HydrophobicContact SD-CZ 4.5Å
557Y97.8Very high96Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-58.1-47.5177.8169.3-103.9000112.7Y158 A162 P243 I553 F554 N559 I560 M561 F577 T596Y158-Y557 VanDerWaalsContact C-OH 3.26Å; Y158-Y557 VanDerWaalsContact CA-OH 3.24Å; Y158-Y557 WeakPolarHBondContact CA-OH 3.38Å; Y158-Y557 WeakPolarHBondContact CB-OH 3.24Å; Y158-Y557 AromaticContact CD1-CE1 3.56Å; Y158-Y557 HydrophobicContact CD1-CE1 3.56Å; Y158-Y557 AromaticContact CD1-CZ 3.62Å; Y158-Y557 WeakPolarHBondContact CD1-OH 3.31Å; Y158-Y557 AromaticContact CE1-CE1 3.98Å; Y158-Y557 HydrophobicContact CE1-CE1 3.98Å; Y158-Y557 PolarHBondContact O-OH 3.13Å; A162-Y557 HydrophobicContact CB-CE2 3.71Å; P243-Y557 HydrophobicContact CG-CE1 4.03Å; I553-Y557 WeakPolarHBondContact O-CB 3.24Å; I553-Y557 PolarHBondContact O-N 2.7Å; F554-Y557 PolarHBondContact O-N 2.9Å; Y557-N559 VanDerWaalsContact C-N 3.35Å; Y557-N559 PolarHBondContact O-N 3.27Å; Y557-I560 PolarHBondContact O-N 2.81Å; Y557-M561 HydrophobicContact CE1-CE 3.8Å; Y557-M561 HydrophobicContact CE2-CE 4.17Å; Y557-M561 WeakPolarHBondContact O-CB 3.1Å; Y557-M561 PolarHBondContact O-N 3.47Å; Y557-M561 WeakPolarHBondContact OH-CE 3.42Å; Y557-F577 HydrophobicContact CD2-CD1 4.48Å; Y557-T596 HydrophobicContact CD1-CG2 3.66Å; Y557-T596 HydrophobicContact CD2-CG2 4.13Å; Y557-T596 WeakPolarHBondContact CD2-O 3.21Å; Y557-T596 HydrophobicContact CE1-CG2 4.09Å; Y557-T596 VanDerWaalsContact CE2-O 3.23Å; Y557-T596 WeakPolarHBondContact CE2-O 3.22Å; Y557-T596 HydrophobicContact CG-CG2 3.65Å
558G96.8Very high96.1Very high0 Ų06.5 Ų6.50%03%0.031CC..Hα-helixtrans-59-44.8179.300000112.2F554 M556 M561 V562F554-G558 PolarHBondContact O-N 3.5Å; M556-G558 PolarHBondContact O-N 3.4Å; G558-M561 PolarHBondContact O-N 3.11Å; G558-V562 WeakPolarHBondContact O-CG2 3.47Å; G558-V562 PolarHBondContact O-N 3.47Å; G558-V562 VanDerWaalsContact O-N 3.12Å
559N98.1Very high96.1Very high0 Ų012.4 Ų12.40%06%0.058CC..Hα-helixtrans-68-38.1176.1-76.7-74.4000112.8G221 V223 F491 Y555 M556 Y557 L563G221-N559 PolarHBondContact O-ND2 3.22Å; V223-N559 PolarHBondContact N-OD1 3.27Å; F491-N559 HydrophobicContact CB-CB 4.14Å; F491-N559 HydrophobicContact CD1-CB 3.61Å; F491-N559 HydrophobicContact CD2-CB 3.55Å; F491-N559 HydrophobicContact CE1-CB 3.83Å; F491-N559 HydrophobicContact CE2-CB 3.77Å; F491-N559 HydrophobicContact CG-CB 3.47Å; F491-N559 VanDerWaalsContact CG-CB 3.47Å; F491-N559 HydrophobicContact CZ-CB 3.9Å; Y555-N559 PolarHBondContact O-N 3.41Å; Y555-N559 PolarHBondContact O-ND2 3Å; M556-N559 PolarHBondContact O-N 2.84Å; Y557-N559 VanDerWaalsContact C-N 3.35Å; Y557-N559 PolarHBondContact O-N 3.27Å; N559-L563 WeakPolarHBondContact O-CB 3.41Å; N559-L563 PolarHBondContact O-N 3.11Å
560I98.2Very high96.1Very high0 Ų014.2 Ų14.20%07%0.065CC..Hα-helixtrans-62.9-43.1175.2-69.1164000110.5F491 F517 M556 Y557 L563 N564 F577F491-I560 HydrophobicContact CE1-CG1 3.84Å; F491-I560 HydrophobicContact CZ-CG1 4.3Å; F517-I560 HydrophobicContact CB-CD1 3.74Å; F517-I560 HydrophobicContact CD2-CD1 3.77Å; F517-I560 HydrophobicContact CD2-CG1 3.83Å; F517-I560 HydrophobicContact CE2-CG1 4.33Å; F517-I560 HydrophobicContact CG-CD1 3.9Å; F517-I560 HydrophobicContact CG-CG1 4.34Å; M556-I560 WeakPolarHBondContact O-CB 3.08Å; M556-I560 WeakPolarHBondContact O-CD1 3.26Å; M556-I560 WeakPolarHBondContact O-CG1 3.39Å; M556-I560 PolarHBondContact O-N 3.19Å; Y557-I560 PolarHBondContact O-N 2.81Å; I560-L563 PolarHBondContact O-N 2.97Å; I560-N564 VanDerWaalsContact O-CB 3.28Å; I560-N564 WeakPolarHBondContact O-CB 3.39Å; I560-N564 PolarHBondContact O-N 3.21Å; I560-F577 HydrophobicContact CD1-CB 3.98Å; I560-F577 HydrophobicContact CD1-CD2 3.64Å; I560-F577 HydrophobicContact CD1-CE2 4.27Å; I560-F577 HydrophobicContact CD1-CG 3.86Å
561M96.9Very high96.2Very high0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-60.4-52177.8177.7-179.1-7600111.5F9 L161 A162 P241 Y242 Y557 G558 L563 N564 N565F9-M561 HydrophobicContact CE2-CE 4.45Å; F9-M561 HydrophobicContact CE2-SD 4.17Å; L161-M561 HydrophobicContact CB-CE 3.45Å; L161-M561 VanDerWaalsContact CB-CE 3.45Å; L161-M561 HydrophobicContact CB-SD 3.92Å; L161-M561 WeakPolarHBondContact O-CG 3.32Å; A162-M561 HydrophobicContact CB-CB 4.29Å; A162-M561 HydrophobicContact CB-CE 3.91Å; A162-M561 HydrophobicContact CB-CG 4.4Å; P241-M561 HydrophobicContact CB-SD 4.49Å; P241-M561 WeakPolarHBondContact O-CG 3.43Å; Y242-M561 VanDerWaalsContact CA-SD 3.59Å; Y557-M561 HydrophobicContact CE1-CE 3.8Å; Y557-M561 HydrophobicContact CE2-CE 4.17Å; Y557-M561 WeakPolarHBondContact O-CB 3.1Å; Y557-M561 PolarHBondContact O-N 3.47Å; Y557-M561 WeakPolarHBondContact OH-CE 3.42Å; G558-M561 PolarHBondContact O-N 3.11Å; M561-L563 VanDerWaalsContact C-N 3.3Å; M561-L563 PolarHBondContact O-N 2.65Å; M561-N564 PolarHBondContact O-N 3.33Å; M561-N565 PolarHBondContact O-N 3Å; M561-N565 PolarHBondContact O-ND2 3.12Å
562V97Very high96.2Very high4 Ų417.7 Ų17.72%0.02410%0.098CC..Hα-helixtrans-61.6-42.5179.7178.50000110.4I222 L240 Y242 F495 G558 N565 L566I222-V562 HydrophobicContact CG2-CG2 4.07Å; L240-V562 HydrophobicContact CB-CG1 3.98Å; L240-V562 HydrophobicContact CD1-CG1 3.66Å; L240-V562 HydrophobicContact CG-CG1 4.49Å; Y242-V562 HydrophobicContact CD1-CG2 3.79Å; Y242-V562 HydrophobicContact CG-CG2 4.06Å; F495-V562 HydrophobicContact CE1-CB 4.47Å; F495-V562 HydrophobicContact CE1-CG1 3.84Å; F495-V562 HydrophobicContact CZ-CB 4.06Å; F495-V562 HydrophobicContact CZ-CG1 3.88Å; G558-V562 WeakPolarHBondContact O-CG2 3.47Å; G558-V562 PolarHBondContact O-N 3.47Å; G558-V562 VanDerWaalsContact O-N 3.12Å; V562-N565 PolarHBondContact O-N 3.48Å; V562-L566 PolarHBondContact O-N 2.97Å; V562-L566 VanDerWaalsContact O-N 3.11Å
563L97.6Very high96.2Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-63.1-43.9177.4-17859.8000111.7L494 F495 N559 I560 M561 L566 R567 F575L494-L563 HydrophobicContact CB-CD1 4.4Å; L494-L563 HydrophobicContact CB-CD2 3.77Å; L494-L563 HydrophobicContact CD1-CD2 3.85Å; L494-L563 HydrophobicContact CG-CD2 4.48Å; F495-L563 HydrophobicContact CD1-CD1 4.07Å; F495-L563 HydrophobicContact CD2-CD1 4.07Å; F495-L563 HydrophobicContact CE1-CB 4.14Å; F495-L563 HydrophobicContact CE1-CD1 4.11Å; F495-L563 HydrophobicContact CE2-CB 3.8Å; F495-L563 HydrophobicContact CE2-CD1 4.12Å; F495-L563 HydrophobicContact CE2-CG 4.39Å; F495-L563 HydrophobicContact CG-CD1 4.04Å; F495-L563 HydrophobicContact CZ-CB 3.56Å; F495-L563 HydrophobicContact CZ-CD1 4.15Å; F495-L563 HydrophobicContact CZ-CG 4.42Å; N559-L563 WeakPolarHBondContact O-CB 3.41Å; N559-L563 PolarHBondContact O-N 3.11Å; I560-L563 PolarHBondContact O-N 2.97Å; M561-L563 VanDerWaalsContact C-N 3.3Å; M561-L563 PolarHBondContact O-N 2.65Å; L563-L566 PolarHBondContact O-N 3.31Å; L563-R567 HydrophobicContact CD1-CG 4.1Å; L563-R567 HydrophobicContact CG-CG 4.33Å; L563-R567 WeakPolarHBondContact O-CB 3.24Å; L563-R567 WeakPolarHBondContact O-CG 3.35Å; L563-R567 PolarHBondContact O-N 3.33Å; L563-F575 HydrophobicContact CD2-CD2 3.92Å; L563-F575 HydrophobicContact CD2-CE2 3.83Å; L563-F575 HydrophobicContact CG-CD2 4.46Å; L563-F575 HydrophobicContact CG-CE2 4.37Å
564N97.8Very high96.3Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-63.7-41.4179.5-77.7-9.1000111.6A162 Y163 I560 M561 R567 K568 T574 F575A162-N564 PolarHBondContact O-ND2 3.23Å; Y163-N564 HydrophobicContact CD2-CB 4Å; I560-N564 VanDerWaalsContact O-CB 3.28Å; I560-N564 WeakPolarHBondContact O-CB 3.39Å; I560-N564 PolarHBondContact O-N 3.21Å; M561-N564 PolarHBondContact O-N 3.33Å; N564-R567 PolarHBondContact O-N 3.45Å; N564-K568 VanDerWaalsContact O-CB 3.24Å; N564-K568 WeakPolarHBondContact O-CB 3.37Å; N564-K568 PolarHBondContact O-N 3.16Å; N564-T574 HydrophobicContact CB-CG2 4.06Å; N564-F575 PolarHBondContact ND2-O 3.46Å; N564-F575 PolarHBondContact OD1-N 2.83Å
565N95.8Very high96.4Very high12 Ų1217.8 Ų17.86%0.06410%0.099CC..Hα-helixtrans-62.6-48176.4-79.2-85.2000111.3L161 Y163 L240 P241 M561 V562 R567 K568 E569L161-N565 PolarHBondContact O-ND2 3.34Å; Y163-N565 HydrophobicContact CE2-CB 4.49Å; Y163-N565 WeakPolarHBondContact CE2-OD1 3.24Å; Y163-N565 PolarHBondContact OH-OD1 3.13Å; L240-N565 HydrophobicContact CD2-CB 4.06Å; P241-N565 HydrophobicContact CG-CB 4.46Å; M561-N565 PolarHBondContact O-N 3Å; M561-N565 PolarHBondContact O-ND2 3.12Å; V562-N565 PolarHBondContact O-N 3.48Å; N565-R567 VanDerWaalsContact C-N 3.32Å; N565-R567 PolarHBondContact O-N 3.08Å; N565-K568 PolarHBondContact O-N 3.11Å; N565-E569 WeakPolarHBondContact O-CG 3.35Å; N565-E569 PolarHBondContact O-N 3.19Å
566L95.8Very high96.4Very high2 Ų217.7 Ų17.71%0.0110%0.098CC..Hα-helixtrans-59.3-42.6175.2179.865.1000112.1F214 V225 L240 F495 T498 V499 V562 L563 R570F214-L566 HydrophobicContact CD2-CD1 4.37Å; F214-L566 HydrophobicContact CE2-CD1 4.29Å; V225-L566 HydrophobicContact CG2-CD2 4.19Å; L240-L566 HydrophobicContact CD1-CB 4.26Å; F495-L566 HydrophobicContact CD1-CD2 3.88Å; F495-L566 HydrophobicContact CE1-CD2 4.29Å; T498-L566 HydrophobicContact CG2-CD2 3.77Å; T498-L566 HydrophobicContact CG2-CG 3.85Å; V499-L566 HydrophobicContact CG2-CD2 4.12Å; V562-L566 PolarHBondContact O-N 2.97Å; V562-L566 VanDerWaalsContact O-N 3.11Å; L563-L566 PolarHBondContact O-N 3.31Å; L566-R570 WeakPolarHBondContact O-CG 3.43Å; L566-R570 PolarHBondContact O-N 3.05Å
567R96.3Very high96.4Very high0 Ų017.6 Ų17.60%010%0.098CC..Hα-helixtrans-67-41.8179.2-72.4177.373.478.32.3111.7T498 L563 N564 N565 R570 G571 L572 N573 F575T498-R567 HydrophobicContact CG2-CG 3.47Å; T498-R567 VanDerWaalsContact CG2-CG 3.47Å; T498-R567 PolarHBondContact OG1-NH1 3.31Å; L563-R567 HydrophobicContact CD1-CG 4.1Å; L563-R567 HydrophobicContact CG-CG 4.33Å; L563-R567 WeakPolarHBondContact O-CB 3.24Å; L563-R567 WeakPolarHBondContact O-CG 3.35Å; L563-R567 PolarHBondContact O-N 3.33Å; N564-R567 PolarHBondContact O-N 3.45Å; N565-R567 VanDerWaalsContact C-N 3.32Å; N565-R567 PolarHBondContact O-N 3.08Å; R567-R570 CarbonylContact O-C 3.56Å; R567-R570 PolarHBondContact O-N 2.84Å; R567-R570 VanDerWaalsContact O-N 3.15Å; R567-G571 PolarHBondContact O-N 2.68Å; R567-L572 HydrophobicContact CB-CB 4.08Å; R567-L572 WeakPolarHBondContact O-CB 3.45Å; R567-L572 PolarHBondContact O-N 2.81Å; R567-N573 PolarHBondContact NE-O 2.76Å; R567-N573 PolarHBondContact NH2-O 3.42Å; R567-N573 PolarHBondContact NH2-OD1 3.2Å; R567-F575 VanDerWaalsContact CD-CE2 3.45Å; R567-F575 VanDerWaalsContact NE-CE2 3.28Å
568K94.4Very high96.4Very high68 Ų6817.6 Ų17.630%0.29610%0.098SC..Hα-helixtrans-62.4-44.5177.3-174.274.5174.8-173.80111.5Y163 D191 N564 N565 R570 G571 T574Y163-K568 HydrophobicContact CD1-CD 4.19Å; Y163-K568 HydrophobicContact CD1-CG 4.37Å; Y163-K568 HydrophobicContact CE1-CB 4.31Å; Y163-K568 HydrophobicContact CE1-CD 3.88Å; Y163-K568 HydrophobicContact CE1-CG 3.65Å; Y163-K568 HydrophobicContact CE2-CB 4.08Å; Y163-K568 HydrophobicContact CE2-CG 4.31Å; D191-K568 IonicContact OD1-NZ 3.42Å; D191-K568 PolarHBondContact OD1-NZ 3.21Å; D191-K568 WeakPolarHBondContact OD2-CD 3.27Å; D191-K568 WeakPolarHBondContact OD2-CE 3.34Å; D191-K568 IonicContact OD2-NZ 3.58Å; D191-K568 PolarHBondContact OD2-NZ 2.97Å; N564-K568 VanDerWaalsContact O-CB 3.24Å; N564-K568 WeakPolarHBondContact O-CB 3.37Å; N564-K568 PolarHBondContact O-N 3.16Å; N565-K568 PolarHBondContact O-N 3.11Å; K568-R570 PolarHBondContact O-N 3.1Å; K568-G571 PolarHBondContact O-N 3.24Å; K568-T574 HydrophobicContact CB-CG2 4.33Å
569E93.3Very high96.5Very high133 Ų13317.6 Ų17.662%0.62110%0.098SC*.Hα-helixtrans-58.2-31.5175.1-74.4175.3-179.100112.4N565N565-E569 WeakPolarHBondContact O-CG 3.35Å; N565-E569 PolarHBondContact O-N 3.19Å
570R93.1Very high96.4Very high52 Ų5218.1 Ų18.120%0.19610%0.1CC..THydrogen-bonded Turntrans-86.1-0.6174.5-63.4-159.880.7-175.55.6114.8P209 E210 L212 T498 V499 P501 L566 R567 K568 L572P209-R570 VanDerWaalsContact CB-NH2 3.34Å; E210-R570 PolarHBondContact O-NH1 2.91Å; E210-R570 PolarHBondContact O-NH2 2.92Å; L212-R570 VanDerWaalsContact CD1-CD 3.48Å; L212-R570 HydrophobicContact CD1-CG 3.94Å; T498-R570 WeakPolarHBondContact O-CD 3.28Å; T498-R570 PolarHBondContact O-NH1 3.16Å; V499-R570 PolarHBondContact O-NH1 3.17Å; P501-R570 VanDerWaalsContact CG-NH1 3.33Å; L566-R570 WeakPolarHBondContact O-CG 3.43Å; L566-R570 PolarHBondContact O-N 3.05Å; R567-R570 CarbonylContact O-C 3.56Å; R567-R570 PolarHBondContact O-N 2.84Å; R567-R570 VanDerWaalsContact O-N 3.15Å; K568-R570 PolarHBondContact O-N 3.1Å; R570-L572 VanDerWaalsContact C-N 3.28Å; R570-L572 HydrophobicContact CB-CD1 4.11Å; R570-L572 HydrophobicContact CB-CG 3.94Å; R570-L572 PolarHBondContact O-N 3.07Å
571G93.4Very high96.3Very high65 Ų6518.1 Ų18.167%0.6710%0.1SC*.THydrogen-bonded Turntrans66.426.6-173.600000114R567 K568R567-G571 PolarHBondContact O-N 2.68Å; K568-G571 PolarHBondContact O-N 3.24Å
572L95.3Very high96.2Very high20 Ų2018.1 Ų18.111%0.10510%0.1CC..PPolyproline II helixtrans-94.8159.1175.5-59.9179.5000111P209 T498 R567 R570P209-L572 HydrophobicContact CG-CD2 4.24Å; T498-L572 HydrophobicContact CG2-CD1 4.29Å; R567-L572 HydrophobicContact CB-CB 4.08Å; R567-L572 WeakPolarHBondContact O-CB 3.45Å; R567-L572 PolarHBondContact O-N 2.81Å; R570-L572 VanDerWaalsContact C-N 3.28Å; R570-L572 HydrophobicContact CB-CD1 4.11Å; R570-L572 HydrophobicContact CB-CG 3.94Å; R570-L572 PolarHBondContact O-N 3.07Å
573N95.6Very high96Very high11 Ų1118.7 Ų18.76%0.05910%0.103CC..PPolyproline II helixtrans-61.7146.7176.569.3-65.7000111.9D191 S193 L511 I514 R567D191-N573 CarbonylContact O-C 3.54Å; D191-N573 WeakPolarHBondContact O-CA 3.45Å; D191-N573 VanDerWaalsContact O-CB 3.28Å; D191-N573 WeakPolarHBondContact O-CB 3.47Å; S193-N573 WeakPolarHBondContact OG-CB 3.26Å; L511-N573 PolarHBondContact O-ND2 3.25Å; L511-N573 PolarHBondContact O-OD1 2.79Å; I514-N573 PolarHBondContact O-ND2 3.14Å; R567-N573 PolarHBondContact NE-O 2.76Å; R567-N573 PolarHBondContact NH2-O 3.42Å; R567-N573 PolarHBondContact NH2-OD1 3.2Å
574T97.3Very high95.5Very high0 Ų019.2 Ų19.20%011%0.107CC..PPolyproline II helixtrans-102.2166.3176.756.20000111.1Y163 P190 D191 N564 K568Y163-T574 HydrophobicContact CD2-CG2 4.5Å; Y163-T574 HydrophobicContact CG-CG2 4.45Å; P190-T574 WeakPolarHBondContact CA-OG1 3.35Å; D191-T574 PolarHBondContact N-OG1 3.38Å; D191-T574 PolarHBondContact O-N 3.11Å; D191-T574 PolarHBondContact O-OG1 3.07Å; N564-T574 HydrophobicContact CB-CG2 4.06Å; K568-T574 HydrophobicContact CB-CG2 4.33Å
575F98Very high95Very high1 Ų119.6 Ų19.60%0.00411%0.111CC..  trans-115.4132.4-176.9-55.9-61.9000111.7L511 I514 F517 L563 N564 R567L511-F575 HydrophobicContact CB-CZ 4.19Å; L511-F575 HydrophobicContact CD2-CE1 4.36Å; L511-F575 HydrophobicContact CD2-CZ 3.88Å; L511-F575 HydrophobicContact CG-CZ 4.39Å; I514-F575 HydrophobicContact CB-CD1 4.37Å; I514-F575 HydrophobicContact CB-CE1 3.94Å; I514-F575 HydrophobicContact CG2-CD1 3.94Å; I514-F575 HydrophobicContact CG2-CE1 3.94Å; F517-F575 HydrophobicContact CD2-CB 3.84Å; F517-F575 HydrophobicContact CD2-CG 4.32Å; F517-F575 HydrophobicContact CE2-CB 3.73Å; F517-F575 HydrophobicContact CE2-CD1 4.38Å; F517-F575 AromaticContact CE2-CD2 3.84Å; F517-F575 HydrophobicContact CE2-CD2 3.84Å; F517-F575 AromaticContact CE2-CG 3.72Å; F517-F575 HydrophobicContact CE2-CG 3.72Å; L563-F575 HydrophobicContact CD2-CD2 3.92Å; L563-F575 HydrophobicContact CD2-CE2 3.83Å; L563-F575 HydrophobicContact CG-CD2 4.46Å; L563-F575 HydrophobicContact CG-CE2 4.37Å; N564-F575 PolarHBondContact ND2-O 3.46Å; N564-F575 PolarHBondContact OD1-N 2.83Å; R567-F575 VanDerWaalsContact CD-CE2 3.45Å; R567-F575 VanDerWaalsContact NE-CE2 3.28Å
576Q97.7Very high94.6Very high2 Ų219.6 Ų19.61%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-81.8147.2172.6-64.8178.4-61.200111.1P190 M192 S515 G516 F517 R578 D598P190-Q576 HydrophobicContact CB-CG 3.95Å; P190-Q576 HydrophobicContact CG-CG 3.79Å; M192-Q576 HydrophobicContact CE-CG 3.61Å; S515-Q576 PolarHBondContact O-N 3.37Å; G516-Q576 CarbonylContact C-O 3.57Å; G516-Q576 WeakPolarHBondContact CA-O 3.34Å; F517-Q576 PolarHBondContact N-O 2.89Å; Q576-R578 HydrophobicContact CB-CG 4.05Å; Q576-D598 HydrophobicContact CB-CB 4.39Å; Q576-D598 PolarHBondContact NE2-OD1 3.32Å; Q576-D598 PolarHBondContact NE2-OD2 3.01Å
577F98.4Very high94.3Very high0 Ų020.9 Ų20.90%012%0.119CC..EExtended strand (participates in β ladder)trans-102.5118.2169.4-170-143.7000111.5H164 F517 I553 M556 Y557 I560 P579 D598H164-F577 PolarHBondContact NE2-N 3.49Å; H164-F577 VanDerWaalsContact NE2-N 3.15Å; F517-F577 HydrophobicContact CB-CD2 4.09Å; I553-F577 HydrophobicContact CB-CE1 4.49Å; I553-F577 HydrophobicContact CD1-CE1 4.15Å; I553-F577 HydrophobicContact CD1-CZ 3.61Å; I553-F577 HydrophobicContact CG2-CE1 3.84Å; I553-F577 HydrophobicContact CG2-CZ 4.39Å; M556-F577 HydrophobicContact CB-CE2 4.22Å; M556-F577 HydrophobicContact CB-CZ 3.94Å; M556-F577 HydrophobicContact CE-CE2 3.92Å; M556-F577 HydrophobicContact SD-CE2 4.45Å; M556-F577 HydrophobicContact SD-CZ 4.5Å; Y557-F577 HydrophobicContact CD2-CD1 4.48Å; I560-F577 HydrophobicContact CD1-CB 3.98Å; I560-F577 HydrophobicContact CD1-CD2 3.64Å; I560-F577 HydrophobicContact CD1-CE2 4.27Å; I560-F577 HydrophobicContact CD1-CG 3.86Å; F577-P579 HydrophobicContact CE1-CG 4.47Å; F577-P579 HydrophobicContact CE2-CB 4.35Å; F577-P579 HydrophobicContact CZ-CB 4.29Å; F577-P579 HydrophobicContact CZ-CG 4.4Å; F577-D598 PolarHBondContact O-N 2.97Å
578R97.8Very high93.9Very high0 Ų021.4 Ų21.40%012%0.122CC..  trans-135.568.1-170.5-45.7-174.6-34.2-176.310.3111.6T310 E431 M464 F517 Q576 N599T310-R578 PolarHBondContact O-NH2 3.4Å; T310-R578 VanDerWaalsContact O-NH2 3.08Å; E431-R578 IonicContact OE1-NH1 3.1Å; E431-R578 IonicContact OE2-CZ 2.77Å; E431-R578 IonicContact OE2-NH1 2.74Å; E431-R578 PolarHBondContact OE2-NH1 3.27Å; E431-R578 IonicContact OE2-NH2 3.47Å; E431-R578 PolarHBondContact OE2-NH2 3.18Å; M464-R578 HydrophobicContact CE-CB 4Å; M464-R578 HydrophobicContact CE-CG 4.03Å; M464-R578 VanDerWaalsContact CG-NH2 3.34Å; M464-R578 PolarHBondContact SD-NE 2.97Å; F517-R578 PolarHBondContact O-N 3.17Å; Q576-R578 HydrophobicContact CB-CG 4.05Å; R578-N599 WeakPolarHBondContact CA-O 3.37Å; R578-N599 WeakPolarHBondContact CD-ND2 3.48Å; R578-N599 VanDerWaalsContact CD-OD1 3.27Å; R578-N599 WeakPolarHBondContact CD-OD1 3.49Å; R578-N599 WeakPolarHBondContact CG-ND2 3.49Å; R578-N599 WeakPolarHBondContact CG-OD1 3.42Å
579P97.9Very high93.9Very high0 Ų019.1 Ų19.10%011%0.112CC..  trans-70.6152.6-173.630.8-35.4000112.9D518 I553 F577 C581 A593 A597 S601D518-P579 VanDerWaalsContact OD1-C 3.29Å; D518-P579 VanDerWaalsContact OD1-CA 3.22Å; D518-P579 WeakPolarHBondContact OD1-CA 3.44Å; I553-P579 HydrophobicContact CD1-CB 3.84Å; I553-P579 HydrophobicContact CD1-CG 4.3Å; F577-P579 HydrophobicContact CE1-CG 4.47Å; F577-P579 HydrophobicContact CE2-CB 4.35Å; F577-P579 HydrophobicContact CZ-CB 4.29Å; F577-P579 HydrophobicContact CZ-CG 4.4Å; P579-C581 PolarHBondContact O-N 3.1Å; P579-A593 HydrophobicContact CG-CB 4.39Å; P579-A597 HydrophobicContact CG-CB 3.93Å; P579-S601 PolarHBondContact O-N 3.4Å
580H97.4Very high94Very high10 Ų1012.8 Ų12.85%0.0468%0.083CC..EExtended strand (participates in β ladder)trans-62.1122155.2-72.849.9000108.5H311 H313 D518 S519 V520 Y549 H602H311-H580 AromaticContact CD2-CE1 3.85Å; H311-H580 AromaticContact CE1-CD2 3.91Å; H311-H580 AromaticContact CE1-CE1 3.53Å; H311-H580 AromaticContact CE1-NE2 3.22Å; H311-H580 PolarHBondContact CE1-NE2 3.11Å; H311-H580 AromaticContact NE2-CE1 2.92Å; H311-H580 PolarHBondContact NE2-CE1 3.08Å; H311-H580 AromaticContact NE2-ND1 3.95Å; H311-H580 AromaticContact NE2-NE2 2.98Å; H311-H580 PolarHBondContact NE2-NE2 2.7Å; H313-H580 AromaticContact CE1-CE1 3.64Å; H313-H580 AromaticContact CE1-NE2 3.5Å; H313-H580 PolarHBondContact CE1-NE2 3.03Å; H313-H580 AromaticContact NE2-CE1 3.96Å; H313-H580 AromaticContact NE2-NE2 3.42Å; H313-H580 PolarHBondContact NE2-NE2 3.22Å; D518-H580 VanDerWaalsContact CG-ND1 3.25Å; D518-H580 IonicContact OD1-CE1 3.34Å; D518-H580 IonicContact OD1-CG 3.13Å; D518-H580 PolarHBondContact OD1-N 2.86Å; D518-H580 IonicContact OD1-ND1 2.79Å; D518-H580 PolarHBondContact OD1-ND1 3.38Å; D518-H580 IonicContact OD2-CE1 3.91Å; D518-H580 PolarHBondContact OD2-CE1 3.25Å; D518-H580 IonicContact OD2-ND1 3Å; D518-H580 PolarHBondContact OD2-ND1 2.75Å; S519-H580 WeakPolarHBondContact O-CB 3.47Å; S519-H580 PolarHBondContact O-N 3.22Å; S519-H580 VanDerWaalsContact O-N 3.17Å; V520-H580 VanDerWaalsContact CG1-CE1 3.46Å; V520-H580 WeakPolarHBondContact CG1-CE1 3.37Å; V520-H580 WeakPolarHBondContact CG1-ND1 3.46Å; Y549-H580 WeakPolarHBondContact CE2-O 3.32Å; Y549-H580 PolarHBondContact OH-O 3.44Å; Y549-H580 VanDerWaalsContact OH-O 3.09Å; H580-H602 AromaticContact CD2-CD2 3.69Å; H580-H602 AromaticContact CD2-NE2 3.16Å; H580-H602 PolarHBondContact CD2-NE2 3.4Å; H580-H602 AromaticContact CG-NE2 3.98Å; H580-H602 AromaticContact NE2-NE2 3.68Å
581C96.3Very high94.1Very high0 Ų010.3 Ų10.30%07%0.073CC..EExtended strand (participates in β ladder)trans-151.4126.5-174.5-1670000112.4E523 Y549 P579 E583 H589 A593 I600 S601 G603E523-C581 VanDerWaalsContact OE1-CA 3.25Å; E523-C581 WeakPolarHBondContact OE1-CA 3.25Å; E523-C581 PolarHBondContact OE1-N 3.06Å; Y549-C581 VanDerWaalsContact OH-CB 3.26Å; Y549-C581 WeakPolarHBondContact OH-CB 3.33Å; Y549-C581 PolarHBondContact OH-SG 3.49Å; P579-C581 PolarHBondContact O-N 3.1Å; C581-E583 VanDerWaalsContact C-N 3.26Å; C581-E583 PolarHBondContact O-N 3.02Å; C581-H589 PolarHBondContact SG-O 3.31Å; C581-A593 HydrophobicContact CB-CB 4.11Å; C581-A593 WeakPolarHBondContact SG-CB 3.4Å; C581-I600 HydrophobicContact CB-CB 4.13Å; C581-I600 HydrophobicContact CB-CG2 3.96Å; C581-S601 PolarHBondContact N-O 2.9Å; C581-G603 WeakPolarHBondContact O-CA 3.38Å; C581-G603 PolarHBondContact O-N 2.93Å
582G94.4Very high94.2Very high0 Ų07.2 Ų7.20%04%0.041CC..SBendtrans7123.9172.100000112.7E523 A584 G603 L604 N605E523-G582 PolarHBondContact OE1-N 3.12Å; E523-G582 VanDerWaalsContact OE1-N 3.16Å; E523-G582 PolarHBondContact OE2-N 3.23Å; G582-A584 VanDerWaalsContact C-N 3.35Å; G582-G603 CarbonylContact O-C 3.55Å; G582-L604 WeakPolarHBondContact O-CA 3.29Å; G582-L604 WeakPolarHBondContact O-CB 3.35Å; G582-L604 PolarHBondContact O-N 2.87Å; G582-N605 WeakPolarHBondContact O-CB 3.42Å; G582-N605 PolarHBondContact O-N 3.28Å
583E92.4Very high94.3Very high17 Ų176.3 Ų6.38%0.0794%0.036CC..SBendtrans-64.5-47.3162-167.7175.9-148.500110.1E523 C581 H602 L604 N630 F634E523-E583 PolarHBondContact OE1-N 3.42Å; C581-E583 VanDerWaalsContact C-N 3.26Å; C581-E583 PolarHBondContact O-N 3.02Å; E583-H602 HydrophobicContact CB-CB 3.56Å; E583-H602 VanDerWaalsContact CD-CE1 3.41Å; E583-H602 HydrophobicContact CG-CB 3.84Å; E583-H602 IonicContact OE1-CE1 3.45Å; E583-H602 PolarHBondContact OE1-CE1 2.86Å; E583-H602 IonicContact OE1-CG 3.19Å; E583-H602 IonicContact OE1-ND1 3.15Å; E583-H602 PolarHBondContact OE1-ND1 3.34Å; E583-H602 VanDerWaalsContact OE1-ND1 3.1Å; E583-H602 IonicContact OE1-NE2 3.17Å; E583-H602 IonicContact OE2-CD2 3.99Å; E583-H602 IonicContact OE2-CE1 3.72Å; E583-H602 IonicContact OE2-NE2 3.5Å; E583-L604 HydrophobicContact CG-CD1 4.01Å; E583-L604 WeakPolarHBondContact O-CD1 3.37Å; E583-N630 PolarHBondContact OE1-ND2 3.14Å; E583-F634 HydrophobicContact CG-CD2 3.96Å; E583-F634 HydrophobicContact CG-CE1 4.3Å; E583-F634 HydrophobicContact CG-CE2 3.49Å; E583-F634 VanDerWaalsContact CG-CE2 3.49Å; E583-F634 HydrophobicContact CG-CZ 3.62Å; E583-F634 WeakPolarHBondContact OE1-CE2 3.34Å; E583-F634 WeakPolarHBondContact OE2-CZ 3.46Å
584A87.9Confident94.4Very high11 Ų115.8 Ų5.89%0.0913%0.034CC..SBendtrans-141.4-163.1171.900000109.9E523 T524 G582 N605 F634E523-A584 HydrophobicContact CB-CB 4.23Å; T524-A584 HydrophobicContact CG2-CB 3.57Å; G582-A584 VanDerWaalsContact C-N 3.35Å; A584-N605 PolarHBondContact O-ND2 3.25Å; A584-F634 HydrophobicContact CB-CD1 4.01Å; A584-F634 HydrophobicContact CB-CE1 3.59Å
585G86.8Confident94.4Very high8 Ų85.8 Ų5.88%0.0823%0.034CC..SBendtrans69-166.4178.300000115E36 E523 N605E36-G585 VanDerWaalsContact OE1-O 3.09Å; E523-G585 WeakPolarHBondContact O-CA 3.32Å; E523-G585 PolarHBondContact O-N 3.18Å; G585-N605 PolarHBondContact O-ND2 2.87Å
586S87.5Confident94.3Very high11 Ų115.7 Ų5.78%0.0773%0.033CC..  trans-71.6145.8-172-177.70000113.1T588 H589S586-T588 WeakPolarHBondContact CB-OG1 3.34Å; S586-T588 PolarHBondContact O-N 3.43Å; S586-T588 PolarHBondContact OG-N 2.95Å; S586-T588 PolarHBondContact OG-OG1 2.96Å; S586-H589 WeakPolarHBondContact O-CB 3.49Å; S586-H589 PolarHBondContact O-N 2.83Å; S586-H589 VanDerWaalsContact O-N 3.1Å
587I88.4Confident94.3Very high30 Ų305.7 Ų5.715%0.1543%0.033CC..Hα-helixtrans-57.9-24.3172.8-160.972.4000112.8H589 L590 V591 L612I587-H589 PolarHBondContact O-N 2.76Å; I587-L590 HydrophobicContact CD1-CD1 3.87Å; I587-L590 PolarHBondContact O-N 3.42Å; I587-L590 VanDerWaalsContact O-N 3.11Å; I587-V591 PolarHBondContact O-N 3.36Å; I587-L612 HydrophobicContact CD1-CD1 3.98Å; I587-L612 HydrophobicContact CG1-CD1 3.75Å
588T89.1Confident94.3Very high11 Ų115.7 Ų5.77%0.0673%0.034CC..Hα-helixtrans-60.8-26.1178.160.40000113.4Y29 L256 S586 L590 V591 S592Y29-T588 HydrophobicContact CD2-CG2 3.9Å; Y29-T588 HydrophobicContact CE2-CG2 4.24Å; L256-T588 HydrophobicContact CD2-CG2 3.72Å; S586-T588 WeakPolarHBondContact CB-OG1 3.34Å; S586-T588 PolarHBondContact O-N 3.43Å; S586-T588 PolarHBondContact OG-N 2.95Å; S586-T588 PolarHBondContact OG-OG1 2.96Å; T588-L590 VanDerWaalsContact C-N 3.34Å; T588-L590 PolarHBondContact O-N 3.11Å; T588-V591 PolarHBondContact O-N 3.3Å; T588-S592 PolarHBondContact O-N 2.82Å; T588-S592 VanDerWaalsContact O-N 3.11Å; T588-S592 PolarHBondContact O-OG 3.39Å
589H93.8Very high94.2Very high20 Ų205.7 Ų5.79%0.0933%0.034CC..Hα-helixtrans-58.4-48.3174-62.8-177.7000110.6E523 Y549 C581 S586 I587 V591 S592 A593E523-H589 IonicContact OE2-CE1 2.68Å; E523-H589 IonicContact OE2-CG 3.73Å; E523-H589 IonicContact OE2-ND1 3.52Å; E523-H589 PolarHBondContact OE2-ND1 2.88Å; Y549-H589 VanDerWaalsContact CB-CD2 3.46Å; Y549-H589 WeakPolarHBondContact CB-CD2 3.13Å; Y549-H589 WeakPolarHBondContact CB-NE2 3.11Å; Y549-H589 HydrophobicContact CD1-CB 3.58Å; Y549-H589 AromaticContact CD1-CD2 3.53Å; Y549-H589 AromaticContact CD1-CG 3.5Å; Y549-H589 VanDerWaalsContact CE1-CA 3.49Å; Y549-H589 HydrophobicContact CE1-CB 3.5Å; Y549-H589 VanDerWaalsContact CE1-CB 3.5Å; Y549-H589 AromaticContact CE1-CG 3.92Å; Y549-H589 WeakPolarHBondContact CE1-O 3.23Å; Y549-H589 HydrophobicContact CG-CB 4.16Å; Y549-H589 AromaticContact CG-CD2 3.54Å; Y549-H589 AromaticContact CG-CG 3.61Å; Y549-H589 AromaticContact CG-ND1 3.92Å; Y549-H589 AromaticContact CG-NE2 3.83Å; C581-H589 PolarHBondContact SG-O 3.31Å; S586-H589 WeakPolarHBondContact O-CB 3.49Å; S586-H589 PolarHBondContact O-N 2.83Å; S586-H589 VanDerWaalsContact O-N 3.1Å; I587-H589 PolarHBondContact O-N 2.76Å; H589-V591 VanDerWaalsContact C-N 3.26Å; H589-V591 PolarHBondContact O-N 2.69Å; H589-S592 PolarHBondContact O-N 3.21Å; H589-A593 PolarHBondContact O-N 2.73Å
590L95.8Very high94.3Very high0 Ų05.7 Ų5.70%03%0.034CC..Hα-helixtrans-66.5-27.8-179.3-72.5165.3000112.5I587 T588 F594 I600 N605 L606 L612 Y616I587-L590 HydrophobicContact CD1-CD1 3.87Å; I587-L590 PolarHBondContact O-N 3.42Å; I587-L590 VanDerWaalsContact O-N 3.11Å; T588-L590 VanDerWaalsContact C-N 3.34Å; T588-L590 PolarHBondContact O-N 3.11Å; L590-F594 VanDerWaalsContact O-CB 3.24Å; L590-F594 WeakPolarHBondContact O-CB 3.16Å; L590-F594 PolarHBondContact O-N 3.2Å; L590-I600 HydrophobicContact CD2-CD1 3.71Å; L590-N605 HydrophobicContact CD1-CB 3.71Å; L590-L606 HydrophobicContact CD1-CD2 3.97Å; L590-L606 HydrophobicContact CD1-CG 3.95Å; L590-L606 HydrophobicContact CD2-CD2 4.13Å; L590-L606 HydrophobicContact CD2-CG 4.05Å; L590-L606 HydrophobicContact CG-CD2 4.49Å; L590-L612 HydrophobicContact CB-CD1 3.8Å; L590-Y616 PolarHBondContact O-OH 3.37Å
591V95.5Very high94.3Very high0 Ų05.2 Ų5.20%03%0.031CC..Hα-helixtrans-70-45.6174.1-1670000110.9L252 L255 L256 I259 I587 T588 H589 A593 F594 L595 L612L252-V591 HydrophobicContact CD1-CB 4.11Å; L252-V591 HydrophobicContact CD1-CG1 3.71Å; L255-V591 HydrophobicContact CB-CG1 3.48Å; L255-V591 VanDerWaalsContact CB-CG1 3.48Å; L255-V591 HydrophobicContact CD1-CG1 3.86Å; L255-V591 HydrophobicContact CG-CG1 4.36Å; L256-V591 HydrophobicContact CD2-CB 4.34Å; L256-V591 HydrophobicContact CD2-CG1 4.39Å; L256-V591 HydrophobicContact CD2-CG2 3.85Å; L256-V591 HydrophobicContact CG-CG1 4.32Å; I259-V591 HydrophobicContact CD1-CB 4.32Å; I259-V591 HydrophobicContact CD1-CG1 4.11Å; I259-V591 HydrophobicContact CD1-CG2 3.27Å; I587-V591 PolarHBondContact O-N 3.36Å; T588-V591 PolarHBondContact O-N 3.3Å; H589-V591 VanDerWaalsContact C-N 3.26Å; H589-V591 PolarHBondContact O-N 2.69Å; V591-A593 VanDerWaalsContact C-N 3.35Å; V591-A593 PolarHBondContact O-N 3.04Å; V591-F594 PolarHBondContact O-N 3.16Å; V591-L595 PolarHBondContact O-N 3.39Å; V591-L612 HydrophobicContact CG2-CD1 4.04Å; V591-L612 HydrophobicContact CG2-CD2 4.37Å
592S95.4Very high94.3Very high0 Ų05.2 Ų5.20%03%0.031CC..Hα-helixtrans-62.3-43.4175.9-61.80000111.3Y248 S550 T588 H589 L595 T596Y248-S592 WeakPolarHBondContact OH-CB 3.45Å; Y248-S592 PolarHBondContact OH-OG 2.78Å; S550-S592 VanDerWaalsContact CB-OG 3.26Å; S550-S592 WeakPolarHBondContact CB-OG 3.48Å; S550-S592 PolarHBondContact OG-OG 3.34Å; T588-S592 PolarHBondContact O-N 2.82Å; T588-S592 VanDerWaalsContact O-N 3.11Å; T588-S592 PolarHBondContact O-OG 3.39Å; H589-S592 PolarHBondContact O-N 3.21Å; S592-L595 PolarHBondContact O-N 2.92Å; S592-T596 PolarHBondContact O-N 3.38Å; S592-T596 VanDerWaalsContact O-N 3.12Å; S592-T596 PolarHBondContact O-OG1 2.96Å
593A97Very high94.4Very high0 Ų05.2 Ų5.20%03%0.031CC..Hα-helixtrans-67.6-35.5176.200000112.7P579 C581 H589 V591 L595 T596 A597 I600P579-A593 HydrophobicContact CG-CB 4.39Å; C581-A593 HydrophobicContact CB-CB 4.11Å; C581-A593 WeakPolarHBondContact SG-CB 3.4Å; H589-A593 PolarHBondContact O-N 2.73Å; V591-A593 VanDerWaalsContact C-N 3.35Å; V591-A593 PolarHBondContact O-N 3.04Å; A593-L595 PolarHBondContact O-N 3.46Å; A593-T596 PolarHBondContact O-N 2.52Å; A593-A597 HydrophobicContact CB-CB 4.16Å; A593-A597 WeakPolarHBondContact O-CA 3.08Å; A593-A597 VanDerWaalsContact O-CB 3.22Å; A593-A597 WeakPolarHBondContact O-CB 3.23Å; A593-A597 PolarHBondContact O-N 3.43Å; A593-I600 HydrophobicContact CB-CG2 3.82Å
594F98Very high94.5Very high0 Ų04.6 Ų4.60%03%0.029CC..Hα-helixtrans-59.3-35.7175.5175.5-96000112.5A151 R155 L255 L590 V591 L615 Y616 I621A151-F594 HydrophobicContact CB-CE1 4.34Å; R155-F594 HydrophobicContact CB-CE1 3.8Å; R155-F594 HydrophobicContact CB-CE2 4.48Å; R155-F594 HydrophobicContact CB-CZ 3.78Å; R155-F594 VanDerWaalsContact CD-CE2 3.47Å; R155-F594 WeakPolarHBondContact CD-O 3.4Å; R155-F594 HydrophobicContact CG-CZ 4.31Å; R155-F594 WeakPolarHBondContact CG-O 3.34Å; R155-F594 PolarHBondContact NH1-O 3.46Å; L255-F594 HydrophobicContact CD1-CD1 3.7Å; L255-F594 HydrophobicContact CD1-CE1 4.17Å; L255-F594 HydrophobicContact CD2-CE1 4.41Å; L590-F594 VanDerWaalsContact O-CB 3.24Å; L590-F594 WeakPolarHBondContact O-CB 3.16Å; L590-F594 PolarHBondContact O-N 3.2Å; V591-F594 PolarHBondContact O-N 3.16Å; F594-L615 HydrophobicContact CD2-CB 4.25Å; F594-L615 HydrophobicContact CE1-CD1 4.37Å; F594-L615 HydrophobicContact CE2-CB 3.6Å; F594-L615 HydrophobicContact CE2-CD1 4.42Å; F594-L615 HydrophobicContact CE2-CG 4.44Å; F594-L615 HydrophobicContact CZ-CB 3.96Å; F594-L615 HydrophobicContact CZ-CD1 4.13Å; F594-L615 HydrophobicContact CZ-CD2 4.17Å; F594-L615 HydrophobicContact CZ-CG 4.33Å; F594-Y616 HydrophobicContact CB-CE2 3.99Å; F594-Y616 AromaticContact CD2-CD2 3.97Å; F594-Y616 HydrophobicContact CD2-CD2 3.97Å; F594-Y616 AromaticContact CD2-CE2 3.81Å; F594-Y616 HydrophobicContact CD2-CE2 3.81Å; F594-Y616 HydrophobicContact CG-CE2 4.36Å; F594-I621 HydrophobicContact CD2-CD1 3.46Å; F594-I621 VanDerWaalsContact CD2-CD1 3.46Å; F594-I621 HydrophobicContact CE2-CD1 3.72Å
595L96.3Very high94.9Very high0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-76.6-44.6175.1-73.9173.5000112.2L154 Y158 Y248 D251 L252 L255 V591 S592 A593L154-L595 HydrophobicContact CB-CD2 3.99Å; Y158-L595 WeakPolarHBondContact CB-O 3.39Å; Y158-L595 HydrophobicContact CD1-CB 4.3Å; Y248-L595 HydrophobicContact CE2-CB 4.47Å; Y248-L595 HydrophobicContact CE2-CD1 4.06Å; D251-L595 HydrophobicContact CB-CD1 4.31Å; L252-L595 HydrophobicContact CB-CD1 4.39Å; L252-L595 HydrophobicContact CD1-CD1 4.37Å; L255-L595 HydrophobicContact CD1-CD1 3.77Å; L255-L595 HydrophobicContact CD1-CD2 3.59Å; L255-L595 HydrophobicContact CD1-CG 3.46Å; L255-L595 VanDerWaalsContact CD1-CG 3.46Å; V591-L595 PolarHBondContact O-N 3.39Å; S592-L595 PolarHBondContact O-N 2.92Å; A593-L595 PolarHBondContact O-N 3.46Å
596T97.1Very high95.4Very high0 Ų04.1 Ų4.10%02%0.023CC..Hα-helixtrans-103.8-27.1-160.757.70000114.8Y158 H164 Y248 I553 Y557 S592 A593Y158-T596 HydrophobicContact CD1-CG2 4.49Å; H164-T596 PolarHBondContact CE1-O 3.21Å; H164-T596 PolarHBondContact ND1-O 2.74Å; H164-T596 VanDerWaalsContact ND1-O 3.14Å; Y248-T596 HydrophobicContact CE2-CG2 3.77Å; I553-T596 HydrophobicContact CG2-CG2 4.35Å; I553-T596 WeakPolarHBondContact CG2-OG1 3.5Å; Y557-T596 HydrophobicContact CD1-CG2 3.66Å; Y557-T596 HydrophobicContact CD2-CG2 4.13Å; Y557-T596 WeakPolarHBondContact CD2-O 3.21Å; Y557-T596 HydrophobicContact CE1-CG2 4.09Å; Y557-T596 VanDerWaalsContact CE2-O 3.23Å; Y557-T596 WeakPolarHBondContact CE2-O 3.22Å; Y557-T596 HydrophobicContact CG-CG2 3.65Å; S592-T596 PolarHBondContact O-N 3.38Å; S592-T596 VanDerWaalsContact O-N 3.12Å; S592-T596 PolarHBondContact O-OG1 2.96Å; A593-T596 PolarHBondContact O-N 2.52Å
597A97.6Very high95.7Very high1 Ų17.9 Ų7.91%0.0084%0.037CC..  trans-91.4143.7-171.400000112.6R155 P579 A593 I600R155-A597 PolarHBondContact NH1-O 3.37Å; R155-A597 PolarHBondContact NH2-O 3.06Å; P579-A597 HydrophobicContact CG-CB 3.93Å; A593-A597 HydrophobicContact CB-CB 4.16Å; A593-A597 WeakPolarHBondContact O-CA 3.08Å; A593-A597 VanDerWaalsContact O-CB 3.22Å; A593-A597 WeakPolarHBondContact O-CB 3.23Å; A593-A597 PolarHBondContact O-N 3.43Å; A597-I600 HydrophobicContact CB-CG2 4.33Å
598D97.8Very high95.9Very high1 Ų110.8 Ų10.81%0.0055%0.049CC..SBendtrans-69.6-44.3169.4179.1103.1000110.3R155 H164 R165 Q576 F577R155-D598 PolarHBondContact NH2-O 3.5Å; H164-D598 WeakPolarHBondContact CA-OD1 3.3Å; H164-D598 HydrophobicContact CB-CB 3.83Å; R165-D598 IonicContact CZ-OD1 3.57Å; R165-D598 IonicContact CZ-OD2 2.7Å; R165-D598 VanDerWaalsContact CZ-OD2 3.24Å; R165-D598 PolarHBondContact N-OD1 3.27Å; R165-D598 IonicContact NE-OD1 2.76Å; R165-D598 PolarHBondContact NE-OD1 3.24Å; R165-D598 VanDerWaalsContact NE-OD1 3.15Å; R165-D598 IonicContact NE-OD2 2.65Å; R165-D598 PolarHBondContact NE-OD2 3.39Å; R165-D598 VanDerWaalsContact NE-OD2 3.1Å; R165-D598 IonicContact NH2-OD2 3.28Å; R165-D598 PolarHBondContact NH2-OD2 3.31Å; Q576-D598 HydrophobicContact CB-CB 4.39Å; Q576-D598 PolarHBondContact NE2-OD1 3.32Å; Q576-D598 PolarHBondContact NE2-OD2 3.01Å; F577-D598 PolarHBondContact O-N 2.97Å
599N96.7Very high96.3Very high0 Ų010.7 Ų10.70%05%0.048CC..  trans-152.9174.2173.756.793.6000110.6R165 R578 P622 Q697R165-N599 PolarHBondContact NH2-ND2 2.96Å; R578-N599 WeakPolarHBondContact CA-O 3.37Å; R578-N599 WeakPolarHBondContact CD-ND2 3.48Å; R578-N599 VanDerWaalsContact CD-OD1 3.27Å; R578-N599 WeakPolarHBondContact CD-OD1 3.49Å; R578-N599 WeakPolarHBondContact CG-ND2 3.49Å; R578-N599 WeakPolarHBondContact CG-OD1 3.42Å; N599-P622 HydrophobicContact CB-CB 3.7Å; N599-P622 HydrophobicContact CB-CG 4.04Å; N599-P622 VanDerWaalsContact CB-O 3.23Å; N599-P622 WeakPolarHBondContact CB-O 3.38Å; N599-Q697 HydrophobicContact CB-CG 4.37Å; N599-Q697 PolarHBondContact OD1-NE2 3.39Å
600I98.3Very high96.4Very high0 Ų011 Ų110%05%0.053CC..EExtended strand (participates in β ladder)trans-127.5155.2-179.562.9168.8000112.4C581 L590 A593 A597 L606 Y616 P622 I623 A624C581-I600 HydrophobicContact CB-CB 4.13Å; C581-I600 HydrophobicContact CB-CG2 3.96Å; L590-I600 HydrophobicContact CD2-CD1 3.71Å; A593-I600 HydrophobicContact CB-CG2 3.82Å; A597-I600 HydrophobicContact CB-CG2 4.33Å; I600-L606 HydrophobicContact CD1-CD1 4.21Å; I600-Y616 HydrophobicContact CD1-CD1 4.47Å; I600-Y616 HydrophobicContact CD1-CE1 3.56Å; I600-Y616 HydrophobicContact CG1-CE1 4.01Å; I600-P622 PolarHBondContact N-O 3.45Å; I600-I623 HydrophobicContact CD1-CG1 4.35Å; I600-I623 HydrophobicContact CD1-CG2 4.3Å; I600-I623 HydrophobicContact CG1-CB 4.4Å; I600-I623 HydrophobicContact CG1-CG1 4.12Å; I600-I623 HydrophobicContact CG1-CG2 4.11Å; I600-A624 PolarHBondContact O-N 3.03Å
601S97.8Very high96.5Very high0 Ų011 Ų110%05%0.053CC..EExtended strand (participates in β ladder)trans-97.1138.4165-45.60000109.9R433 P579 C581 G603 A624R433-S601 PolarHBondContact NH2-OG 2.82Å; P579-S601 PolarHBondContact O-N 3.4Å; C581-S601 PolarHBondContact N-O 2.9Å; S601-G603 PolarHBondContact O-N 3.15Å; S601-A624 CarbonylContact C-O 3.57Å; S601-A624 WeakPolarHBondContact CA-O 3.33Å
602H96.3Very high96.7Very high0 Ų011.1 Ų11.10%05%0.053CC..EExtended strand (participates in β ladder)trans75.2-75.3-176.7-44.9-81.5000117.3H311 H580 E583 L604 A624 N630 D657H311-H602 AromaticContact CE1-CE1 3.56Å; H311-H602 AromaticContact CE1-NE2 3.28Å; H311-H602 PolarHBondContact CE1-NE2 3.34Å; H311-H602 VanDerWaalsContact CE1-NE2 3.28Å; H311-H602 AromaticContact ND1-CE1 3.91Å; H311-H602 AromaticContact ND1-NE2 3.86Å; H580-H602 AromaticContact CD2-CD2 3.69Å; H580-H602 AromaticContact CD2-NE2 3.16Å; H580-H602 PolarHBondContact CD2-NE2 3.4Å; H580-H602 AromaticContact CG-NE2 3.98Å; H580-H602 AromaticContact NE2-NE2 3.68Å; E583-H602 HydrophobicContact CB-CB 3.56Å; E583-H602 VanDerWaalsContact CD-CE1 3.41Å; E583-H602 HydrophobicContact CG-CB 3.84Å; E583-H602 IonicContact OE1-CE1 3.45Å; E583-H602 PolarHBondContact OE1-CE1 2.86Å; E583-H602 IonicContact OE1-CG 3.19Å; E583-H602 IonicContact OE1-ND1 3.15Å; E583-H602 PolarHBondContact OE1-ND1 3.34Å; E583-H602 VanDerWaalsContact OE1-ND1 3.1Å; E583-H602 IonicContact OE1-NE2 3.17Å; E583-H602 IonicContact OE2-CD2 3.99Å; E583-H602 IonicContact OE2-CE1 3.72Å; E583-H602 IonicContact OE2-NE2 3.5Å; H602-L604 PolarHBondContact O-N 3.37Å; H602-L604 VanDerWaalsContact O-N 3.13Å; H602-A624 PolarHBondContact N-O 2.92Å; H602-N630 PolarHBondContact ND1-ND2 3.07Å; H602-D657 IonicContact CE1-OD2 2.62Å
603G96.5Very high96.8Very high0 Ų011.4 Ų11.40%05%0.054CC..  trans62.617.417900000116.8C581 G582 S601 N605 L606C581-G603 WeakPolarHBondContact O-CA 3.38Å; C581-G603 PolarHBondContact O-N 2.93Å; G582-G603 CarbonylContact O-C 3.55Å; S601-G603 PolarHBondContact O-N 3.15Å; G603-N605 VanDerWaalsContact C-N 3.26Å; G603-N605 PolarHBondContact O-N 2.63Å; G603-L606 VanDerWaalsContact O-CB 3.3Å; G603-L606 WeakPolarHBondContact O-CB 3.46Å; G603-L606 WeakPolarHBondContact O-CG 3.34Å; G603-L606 PolarHBondContact O-N 3.4Å; G603-L606 VanDerWaalsContact O-N 3.07Å
604L96.1Very high96.9Very high4 Ų411.4 Ų11.42%0.0215%0.054CC..G310 helixtrans-54.4-40.1-177.9-65.8175.4000113.4G582 E583 H602 L606 K607 M625 N630 L635 P641G582-L604 WeakPolarHBondContact O-CA 3.29Å; G582-L604 WeakPolarHBondContact O-CB 3.35Å; G582-L604 PolarHBondContact O-N 2.87Å; E583-L604 HydrophobicContact CG-CD1 4.01Å; E583-L604 WeakPolarHBondContact O-CD1 3.37Å; H602-L604 PolarHBondContact O-N 3.37Å; H602-L604 VanDerWaalsContact O-N 3.13Å; L604-L606 PolarHBondContact O-N 3.43Å; L604-K607 VanDerWaalsContact O-CG 3.28Å; L604-K607 WeakPolarHBondContact O-CG 3.39Å; L604-K607 PolarHBondContact O-N 2.86Å; L604-M625 HydrophobicContact CD2-CE 3.93Å; L604-N630 HydrophobicContact CD1-CB 4.21Å; L604-L635 HydrophobicContact CD1-CD2 3.38Å; L604-L635 HydrophobicContact CD2-CD2 4Å; L604-L635 HydrophobicContact CG-CD2 4.24Å; L604-P641 HydrophobicContact CD2-CG 4.07Å
605N95.2Very high96.9Very high9 Ų911.4 Ų11.45%0.0485%0.054CC..G310 helixtrans-69-10.1-178.5-84.9-25.6000113.8G582 A584 G585 L590 G603 K607 K608G582-N605 WeakPolarHBondContact O-CB 3.42Å; G582-N605 PolarHBondContact O-N 3.28Å; A584-N605 PolarHBondContact O-ND2 3.25Å; G585-N605 PolarHBondContact O-ND2 2.87Å; L590-N605 HydrophobicContact CD1-CB 3.71Å; G603-N605 VanDerWaalsContact C-N 3.26Å; G603-N605 PolarHBondContact O-N 2.63Å; N605-K607 PolarHBondContact O-N 3.44Å; N605-K608 WeakPolarHBondContact O-CB 3.46Å; N605-K608 PolarHBondContact O-N 3.36Å; N605-K608 WeakPolarHBondContact OD1-CD 3.35Å; N605-K608 WeakPolarHBondContact OD1-CE 3.39Å; N605-K608 PolarHBondContact OD1-NZ 3.46Å
606L96.7Very high97Very high0 Ų011.4 Ų11.40%06%0.055CC..G310 helixtrans-58-29.9172.1-73.6168.6000111.8L590 I600 G603 L604 K608 S609 L612 Y616 I623 F645L590-L606 HydrophobicContact CD1-CD2 3.97Å; L590-L606 HydrophobicContact CD1-CG 3.95Å; L590-L606 HydrophobicContact CD2-CD2 4.13Å; L590-L606 HydrophobicContact CD2-CG 4.05Å; L590-L606 HydrophobicContact CG-CD2 4.49Å; I600-L606 HydrophobicContact CD1-CD1 4.21Å; G603-L606 VanDerWaalsContact O-CB 3.3Å; G603-L606 WeakPolarHBondContact O-CB 3.46Å; G603-L606 WeakPolarHBondContact O-CG 3.34Å; G603-L606 PolarHBondContact O-N 3.4Å; G603-L606 VanDerWaalsContact O-N 3.07Å; L604-L606 PolarHBondContact O-N 3.43Å; L606-K608 PolarHBondContact O-N 3.04Å; L606-K608 VanDerWaalsContact O-N 3.11Å; L606-S609 CarbonylContact O-C 3.19Å; L606-S609 PolarHBondContact O-N 2.85Å; L606-L612 HydrophobicContact CD2-CB 3.81Å; L606-Y616 HydrophobicContact CD1-CD1 3.83Å; L606-Y616 HydrophobicContact CD1-CE1 4.11Å; L606-Y616 HydrophobicContact CD1-CG 4.07Å; L606-Y616 HydrophobicContact CD2-CD1 4.47Å; L606-Y616 HydrophobicContact CD2-CD2 3.75Å; L606-Y616 HydrophobicContact CD2-CE2 3.8Å; L606-Y616 HydrophobicContact CD2-CG 4.08Å; L606-I623 HydrophobicContact CD1-CD1 3.56Å; L606-I623 HydrophobicContact CD1-CG1 4.48Å; L606-F645 HydrophobicContact CB-CE2 4.2Å; L606-F645 HydrophobicContact CB-CZ 3.77Å; L606-F645 HydrophobicContact CD1-CE2 4.36Å
607K94.7Very high97.1Very high89 Ų8911.8 Ų11.839%0.3876%0.056SC..G310 helixtrans-61.3-20175.578.7-172.1177.6177.40113.8L604 N605 P641 F645L604-K607 VanDerWaalsContact O-CG 3.28Å; L604-K607 WeakPolarHBondContact O-CG 3.39Å; L604-K607 PolarHBondContact O-N 2.86Å; N605-K607 PolarHBondContact O-N 3.44Å; K607-P641 HydrophobicContact CB-CB 4.46Å; K607-P641 HydrophobicContact CD-CB 4.38Å; K607-P641 HydrophobicContact CD-CG 4.35Å; K607-F645 HydrophobicContact CB-CE1 4.33Å; K607-F645 HydrophobicContact CB-CZ 4.44Å
608K93.2Very high97.1Very high92 Ų9211.7 Ų11.740%0.46%0.055SC..G310 helixtrans-86.8-14.7178.4-59.3176.7176.2168.80113.1N605 L606N605-K608 WeakPolarHBondContact O-CB 3.46Å; N605-K608 PolarHBondContact O-N 3.36Å; N605-K608 WeakPolarHBondContact OD1-CD 3.35Å; N605-K608 WeakPolarHBondContact OD1-CE 3.39Å; N605-K608 PolarHBondContact OD1-NZ 3.46Å; L606-K608 PolarHBondContact O-N 3.04Å; L606-K608 VanDerWaalsContact O-N 3.11Å
609S96.2Very high97.2Very high8 Ų811.8 Ų11.86%0.0566%0.056CC..  trans-128.497.6-178179.50000110.8L606 V611 L612 Q613L606-S609 CarbonylContact O-C 3.19Å; L606-S609 PolarHBondContact O-N 2.85Å; S609-V611 PolarHBondContact O-N 2.84Å; S609-L612 PolarHBondContact O-N 3.42Å; S609-L612 PolarHBondContact OG-N 2.68Å; S609-Q613 WeakPolarHBondContact O-CB 3.11Å; S609-Q613 PolarHBondContact O-N 3.08Å
610P97.1Very high97.2Very high28 Ų2814.5 Ų14.518%0.1827%0.069CC..Hα-helixtrans-56.3-35.2175.6-25.734.3000113C268 H269 L272 Y614C268-P610 HydrophobicContact CB-CB 4.2Å; C268-P610 WeakPolarHBondContact CB-O 3.39Å; H269-P610 HydrophobicContact CB-CB 3.81Å; H269-P610 HydrophobicContact CB-CG 3.97Å; L272-P610 HydrophobicContact CD1-CB 4.04Å; L272-P610 WeakPolarHBondContact CD1-O 2.96Å; P610-Y614 VanDerWaalsContact O-CB 3.24Å; P610-Y614 WeakPolarHBondContact O-CB 3.41Å; P610-Y614 PolarHBondContact O-N 3.33Å
611V97.9Very high97.2Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-64.4-50.9179.1-177.80000110.7L148 M258 I259 T264 K265 C268 S609 Y614 L615L148-V611 HydrophobicContact CD2-CG1 4.34Å; M258-V611 HydrophobicContact CE-CG1 4.01Å; M258-V611 HydrophobicContact CG-CG1 4.21Å; M258-V611 HydrophobicContact SD-CG1 4.35Å; I259-V611 HydrophobicContact CG1-CB 4.35Å; I259-V611 HydrophobicContact CG1-CG1 4.14Å; T264-V611 HydrophobicContact CG2-CG1 4.2Å; T264-V611 HydrophobicContact CG2-CG2 4.01Å; K265-V611 HydrophobicContact CB-CG2 4.4Å; K265-V611 HydrophobicContact CG-CG2 3.9Å; C268-V611 HydrophobicContact CB-CG2 4.4Å; S609-V611 PolarHBondContact O-N 2.84Å; V611-Y614 PolarHBondContact O-N 2.89Å; V611-L615 HydrophobicContact CG1-CD1 4.26Å; V611-L615 WeakPolarHBondContact O-CG 3.46Å; V611-L615 PolarHBondContact O-N 3.27Å
612L98.1Very high97.3Very high1 Ų115.3 Ų15.31%0.0057%0.074CC..Hα-helixtrans-66.2-44.2178.1-74.3173.3000111.6I259 I587 L590 V591 L606 S609 Y614 L615 Y616I259-L612 HydrophobicContact CD1-CD1 3.93Å; I259-L612 HydrophobicContact CD1-CD2 3.66Å; I259-L612 HydrophobicContact CD1-CG 3.66Å; I259-L612 HydrophobicContact CG1-CD2 4.34Å; I259-L612 HydrophobicContact CG1-CG 4.09Å; I587-L612 HydrophobicContact CD1-CD1 3.98Å; I587-L612 HydrophobicContact CG1-CD1 3.75Å; L590-L612 HydrophobicContact CB-CD1 3.8Å; V591-L612 HydrophobicContact CG2-CD1 4.04Å; V591-L612 HydrophobicContact CG2-CD2 4.37Å; L606-L612 HydrophobicContact CD2-CB 3.81Å; S609-L612 PolarHBondContact O-N 3.42Å; S609-L612 PolarHBondContact OG-N 2.68Å; L612-Y614 PolarHBondContact O-N 3.12Å; L612-L615 PolarHBondContact O-N 2.83Å; L612-L615 VanDerWaalsContact O-N 3.15Å; L612-Y616 WeakPolarHBondContact O-CD2 3.19Å; L612-Y616 PolarHBondContact O-N 3.08Å
613Q98.5Very high97.4Very high6 Ų615.3 Ų15.33%0.0287%0.074CC..Hα-helixtrans-57.1-41.6177.6-174.1-177.45600111.3L272 S609 Y616 Y617 L650L272-Q613 HydrophobicContact CD1-CB 4Å; L272-Q613 HydrophobicContact CD1-CG 4.15Å; L272-Q613 VanDerWaalsContact CD1-OE1 3.23Å; L272-Q613 HydrophobicContact CD2-CG 3.93Å; S609-Q613 WeakPolarHBondContact O-CB 3.11Å; S609-Q613 PolarHBondContact O-N 3.08Å; Q613-Y616 PolarHBondContact O-N 3.42Å; Q613-Y617 PolarHBondContact O-N 2.84Å; Q613-Y617 VanDerWaalsContact O-N 3.07Å; Q613-L650 HydrophobicContact CG-CD1 4.2Å; Q613-L650 HydrophobicContact CG-CD2 4.05Å
614Y98.6Very high97.5Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-69.1-38.9177.4-168.4-127.9000112.3L148 Y267 C268 R271 L272 L275 P610 V611 L612 Y617 L618 E743L148-Y614 HydrophobicContact CD1-CD1 4.07Å; L148-Y614 HydrophobicContact CD1-CE1 4Å; Y267-Y614 HydrophobicContact CE1-CE1 4.2Å; C268-Y614 HydrophobicContact CB-CD1 4.17Å; C268-Y614 HydrophobicContact CB-CG 4.29Å; R271-Y614 HydrophobicContact CB-CD2 4.2Å; R271-Y614 HydrophobicContact CB-CE1 4.32Å; R271-Y614 HydrophobicContact CB-CE2 3.7Å; R271-Y614 HydrophobicContact CG-CE1 4.25Å; R271-Y614 HydrophobicContact CG-CE2 4.38Å; L272-Y614 HydrophobicContact CD2-CD2 4.13Å; L272-Y614 HydrophobicContact CG-CD2 4.12Å; L272-Y614 HydrophobicContact CG-CG 4.48Å; L275-Y614 HydrophobicContact CD1-CD2 4.4Å; L275-Y614 HydrophobicContact CD1-CE2 4.18Å; P610-Y614 VanDerWaalsContact O-CB 3.24Å; P610-Y614 WeakPolarHBondContact O-CB 3.41Å; P610-Y614 PolarHBondContact O-N 3.33Å; V611-Y614 PolarHBondContact O-N 2.89Å; L612-Y614 PolarHBondContact O-N 3.12Å; Y614-Y617 HydrophobicContact CD2-CD1 4.04Å; Y614-Y617 AromaticContact CE2-CD1 3.93Å; Y614-Y617 HydrophobicContact CE2-CD1 3.93Å; Y614-Y617 HydrophobicContact CE2-CE1 4.26Å; Y614-Y617 WeakPolarHBondContact O-CB 3.46Å; Y614-Y617 PolarHBondContact O-N 2.86Å; Y614-L618 HydrophobicContact CD1-CD1 3.71Å; Y614-L618 HydrophobicContact CD1-CG 4.38Å; Y614-L618 HydrophobicContact CD2-CG 4.48Å; Y614-L618 HydrophobicContact CE1-CD1 3.55Å; Y614-L618 HydrophobicContact CE1-CD2 4.43Å; Y614-L618 HydrophobicContact CE1-CG 4.18Å; Y614-L618 HydrophobicContact CE2-CD2 4.28Å; Y614-L618 HydrophobicContact CE2-CG 4.26Å; Y614-L618 HydrophobicContact CG-CD1 4.27Å; Y614-L618 VanDerWaalsContact O-CG 3.3Å; Y614-L618 WeakPolarHBondContact O-CG 3.32Å; Y614-L618 PolarHBondContact O-N 2.77Å; Y614-E743 PolarHBondContact OH-OE2 2.91Å
615L98.6Very high97.6Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-64-39173.1-75.2171.4000113.1L148 A151 L152 M258 F594 V611 L612 Y617 L618 A619L148-L615 HydrophobicContact CD2-CD1 4.42Å; L148-L615 HydrophobicContact CD2-CD2 3.67Å; L148-L615 HydrophobicContact CD2-CG 3.89Å; A151-L615 HydrophobicContact CB-CD1 4.1Å; A151-L615 HydrophobicContact CB-CD2 3.98Å; L152-L615 HydrophobicContact CD2-CD2 4.11Å; L152-L615 HydrophobicContact CG-CD2 4.14Å; M258-L615 HydrophobicContact CE-CD1 3.56Å; F594-L615 HydrophobicContact CD2-CB 4.25Å; F594-L615 HydrophobicContact CE1-CD1 4.37Å; F594-L615 HydrophobicContact CE2-CB 3.6Å; F594-L615 HydrophobicContact CE2-CD1 4.42Å; F594-L615 HydrophobicContact CE2-CG 4.44Å; F594-L615 HydrophobicContact CZ-CB 3.96Å; F594-L615 HydrophobicContact CZ-CD1 4.13Å; F594-L615 HydrophobicContact CZ-CD2 4.17Å; F594-L615 HydrophobicContact CZ-CG 4.33Å; V611-L615 HydrophobicContact CG1-CD1 4.26Å; V611-L615 WeakPolarHBondContact O-CG 3.46Å; V611-L615 PolarHBondContact O-N 3.27Å; L612-L615 PolarHBondContact O-N 2.83Å; L612-L615 VanDerWaalsContact O-N 3.15Å; L615-Y617 VanDerWaalsContact C-N 3.29Å; L615-Y617 PolarHBondContact O-N 3.23Å; L615-L618 PolarHBondContact O-N 3.15Å; L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.97Å
616Y98.6Very high97.7Very high1 Ų114.7 Ų14.70%0.0047%0.071CC..Hα-helixtrans-64-36.3174.3-88.1-114000111.6L590 F594 I600 L606 L612 Q613 Q620 I621 I623L590-Y616 PolarHBondContact O-OH 3.37Å; F594-Y616 HydrophobicContact CB-CE2 3.99Å; F594-Y616 AromaticContact CD2-CD2 3.97Å; F594-Y616 HydrophobicContact CD2-CD2 3.97Å; F594-Y616 AromaticContact CD2-CE2 3.81Å; F594-Y616 HydrophobicContact CD2-CE2 3.81Å; F594-Y616 HydrophobicContact CG-CE2 4.36Å; I600-Y616 HydrophobicContact CD1-CD1 4.47Å; I600-Y616 HydrophobicContact CD1-CE1 3.56Å; I600-Y616 HydrophobicContact CG1-CE1 4.01Å; L606-Y616 HydrophobicContact CD1-CD1 3.83Å; L606-Y616 HydrophobicContact CD1-CE1 4.11Å; L606-Y616 HydrophobicContact CD1-CG 4.07Å; L606-Y616 HydrophobicContact CD2-CD1 4.47Å; L606-Y616 HydrophobicContact CD2-CD2 3.75Å; L606-Y616 HydrophobicContact CD2-CE2 3.8Å; L606-Y616 HydrophobicContact CD2-CG 4.08Å; L612-Y616 WeakPolarHBondContact O-CD2 3.19Å; L612-Y616 PolarHBondContact O-N 3.08Å; Q613-Y616 PolarHBondContact O-N 3.42Å; Y616-Q620 WeakPolarHBondContact O-CA 3.5Å; Y616-Q620 PolarHBondContact O-N 3.38Å; Y616-I621 HydrophobicContact CD1-CB 3.59Å; Y616-I621 HydrophobicContact CD1-CD1 3.87Å; Y616-I621 HydrophobicContact CD1-CG1 4.2Å; Y616-I621 HydrophobicContact CD1-CG2 3.85Å; Y616-I621 HydrophobicContact CD2-CD1 3.9Å; Y616-I621 HydrophobicContact CE1-CB 4.01Å; Y616-I621 HydrophobicContact CE1-CD1 3.99Å; Y616-I621 HydrophobicContact CE1-CG2 3.73Å; Y616-I621 HydrophobicContact CE2-CD1 4.07Å; Y616-I621 HydrophobicContact CG-CB 4.17Å; Y616-I621 HydrophobicContact CG-CD1 3.82Å; Y616-I621 HydrophobicContact CG-CG1 4.33Å; Y616-I621 PolarHBondContact O-N 3.35Å; Y616-I623 HydrophobicContact CD1-CD1 4.03Å; Y616-I623 HydrophobicContact CD1-CG1 4.12Å
617Y98.8Very high97.7Very high7 Ų714.7 Ų14.73%0.0277%0.071CC..Hα-helixtrans-65.1-52.4170.2166.5-95000111.7L275 Q613 Y614 L615 A619 Q620 K648 G649 L740 E743L275-Y617 HydrophobicContact CD1-CD1 3.8Å; L275-Y617 HydrophobicContact CD1-CD2 4.08Å; L275-Y617 HydrophobicContact CD1-CE1 3.66Å; L275-Y617 HydrophobicContact CD1-CE2 3.92Å; L275-Y617 HydrophobicContact CD1-CG 4.01Å; L275-Y617 HydrophobicContact CD2-CE1 4.28Å; L275-Y617 HydrophobicContact CD2-CE2 4.26Å; L275-Y617 WeakPolarHBondContact CD2-OH 3.32Å; Q613-Y617 PolarHBondContact O-N 2.84Å; Q613-Y617 VanDerWaalsContact O-N 3.07Å; Y614-Y617 HydrophobicContact CD2-CD1 4.04Å; Y614-Y617 AromaticContact CE2-CD1 3.93Å; Y614-Y617 HydrophobicContact CE2-CD1 3.93Å; Y614-Y617 HydrophobicContact CE2-CE1 4.26Å; Y614-Y617 WeakPolarHBondContact O-CB 3.46Å; Y614-Y617 PolarHBondContact O-N 2.86Å; L615-Y617 VanDerWaalsContact C-N 3.29Å; L615-Y617 PolarHBondContact O-N 3.23Å; Y617-A619 VanDerWaalsContact C-N 3.33Å; Y617-A619 PolarHBondContact O-N 2.89Å; Y617-Q620 WeakPolarHBondContact O-CG 3.47Å; Y617-Q620 PolarHBondContact O-N 2.95Å; Y617-Q620 PolarHBondContact O-NE2 3.31Å; Y617-K648 WeakPolarHBondContact CD2-O 3.24Å; Y617-K648 WeakPolarHBondContact CE2-O 3.36Å; Y617-G649 WeakPolarHBondContact CD2-O 3.48Å; Y617-L740 HydrophobicContact CE1-CD1 3.95Å; Y617-L740 WeakPolarHBondContact OH-CA 3.44Å; Y617-L740 PolarHBondContact OH-N 3.37Å; Y617-E743 HydrophobicContact CE1-CB 3.91Å; Y617-E743 HydrophobicContact CE1-CG 3.68Å
618L98.5Very high97.8Very high0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-64.1-36.3-176.4-69.5168.8000112.9L152 T170 Y614 L615 Q620 E743 L744 I747L152-L618 HydrophobicContact CD1-CB 4.21Å; L152-L618 HydrophobicContact CD1-CD1 4.29Å; L152-L618 HydrophobicContact CD2-CB 4.01Å; T170-L618 WeakPolarHBondContact CG2-O 3.48Å; T170-L618 PolarHBondContact OG1-O 2.85Å; Y614-L618 HydrophobicContact CD1-CD1 3.71Å; Y614-L618 HydrophobicContact CD1-CG 4.38Å; Y614-L618 HydrophobicContact CD2-CG 4.48Å; Y614-L618 HydrophobicContact CE1-CD1 3.55Å; Y614-L618 HydrophobicContact CE1-CD2 4.43Å; Y614-L618 HydrophobicContact CE1-CG 4.18Å; Y614-L618 HydrophobicContact CE2-CD2 4.28Å; Y614-L618 HydrophobicContact CE2-CG 4.26Å; Y614-L618 HydrophobicContact CG-CD1 4.27Å; Y614-L618 VanDerWaalsContact O-CG 3.3Å; Y614-L618 WeakPolarHBondContact O-CG 3.32Å; Y614-L618 PolarHBondContact O-N 2.77Å; L615-L618 PolarHBondContact O-N 3.15Å; L618-Q620 VanDerWaalsContact C-N 3.34Å; L618-E743 HydrophobicContact CD2-CB 3.98Å; L618-L744 HydrophobicContact CD2-CD2 3.97Å; L618-L744 HydrophobicContact CD2-CG 4.39Å; L618-I747 HydrophobicContact CD1-CD1 3.44Å; L618-I747 VanDerWaalsContact CD1-CD1 3.44Å; L618-I747 HydrophobicContact CD2-CD1 3.91Å; L618-I747 HydrophobicContact CG-CD1 4.29Å
619A98Very high97.9Very high3 Ų37.1 Ų7.13%0.0254%0.039CC..THydrogen-bonded Turntrans-87.9-2.4176.400000113.4L152 F166 L615 Y617 I621L152-A619 HydrophobicContact CD2-CB 3.89Å; F166-A619 HydrophobicContact CE2-CB 4.18Å; L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.97Å; Y617-A619 VanDerWaalsContact C-N 3.33Å; Y617-A619 PolarHBondContact O-N 2.89Å; A619-I621 VanDerWaalsContact C-N 3.3Å; A619-I621 HydrophobicContact CB-CD1 4.18Å; A619-I621 HydrophobicContact CB-CG1 3.79Å; A619-I621 PolarHBondContact O-N 3.17Å
620Q98.3Very high97.8Very high57 Ų576.7 Ų6.727%0.2664%0.036SC..THydrogen-bonded Turntrans47.449.1-176.4-66.9-72.5-62.100112.9C167 Y616 Y617 L618 P622 G649 L740C167-Q620 HydrophobicContact CB-CB 4.04Å; C167-Q620 HydrophobicContact CB-CG 4.44Å; Y616-Q620 WeakPolarHBondContact O-CA 3.5Å; Y616-Q620 PolarHBondContact O-N 3.38Å; Y617-Q620 WeakPolarHBondContact O-CG 3.47Å; Y617-Q620 PolarHBondContact O-N 2.95Å; Y617-Q620 PolarHBondContact O-NE2 3.31Å; L618-Q620 VanDerWaalsContact C-N 3.34Å; Q620-P622 WeakPolarHBondContact O-CD 3.48Å; Q620-G649 PolarHBondContact NE2-O 3.24Å; Q620-G649 VanDerWaalsContact NE2-O 3.15Å; Q620-L740 HydrophobicContact CG-CD2 3.71Å
621I98.4Very high97.6Very high2 Ų28.3 Ų8.31%0.014%0.043CC..  trans-74125.5-178.7-50.3-179.5000109.2R155 F594 Y616 A619R155-I621 VanDerWaalsContact CZ-CG1 3.45Å; F594-I621 HydrophobicContact CD2-CD1 3.46Å; F594-I621 VanDerWaalsContact CD2-CD1 3.46Å; F594-I621 HydrophobicContact CE2-CD1 3.72Å; Y616-I621 HydrophobicContact CD1-CB 3.59Å; Y616-I621 HydrophobicContact CD1-CD1 3.87Å; Y616-I621 HydrophobicContact CD1-CG1 4.2Å; Y616-I621 HydrophobicContact CD1-CG2 3.85Å; Y616-I621 HydrophobicContact CD2-CD1 3.9Å; Y616-I621 HydrophobicContact CE1-CB 4.01Å; Y616-I621 HydrophobicContact CE1-CD1 3.99Å; Y616-I621 HydrophobicContact CE1-CG2 3.73Å; Y616-I621 HydrophobicContact CE2-CD1 4.07Å; Y616-I621 HydrophobicContact CG-CB 4.17Å; Y616-I621 HydrophobicContact CG-CD1 3.82Å; Y616-I621 HydrophobicContact CG-CG1 4.33Å; Y616-I621 PolarHBondContact O-N 3.35Å; A619-I621 VanDerWaalsContact C-N 3.3Å; A619-I621 HydrophobicContact CB-CD1 4.18Å; A619-I621 HydrophobicContact CB-CG1 3.79Å; A619-I621 PolarHBondContact O-N 3.17Å
622P98.4Very high97Very high15 Ų159.3 Ų9.310%0.0975%0.05CC..  trans-67.3144.1177.3-18.530.4000113.2N599 I600 Q620 C651 Q697N599-P622 HydrophobicContact CB-CB 3.7Å; N599-P622 HydrophobicContact CB-CG 4.04Å; N599-P622 VanDerWaalsContact CB-O 3.23Å; N599-P622 WeakPolarHBondContact CB-O 3.38Å; I600-P622 PolarHBondContact N-O 3.45Å; Q620-P622 WeakPolarHBondContact O-CD 3.48Å; P622-C651 CarbonylContact C-O 3.58Å; P622-C651 VanDerWaalsContact CA-O 3.27Å; P622-C651 WeakPolarHBondContact CA-O 3.49Å; P622-Q697 HydrophobicContact CB-CB 3.86Å; P622-Q697 HydrophobicContact CB-CG 3.69Å; P622-Q697 HydrophobicContact CG-CB 4.44Å; P622-Q697 HydrophobicContact CG-CG 4.49Å
623I98.7Very high96.2Very high0 Ų09.4 Ų9.40%05%0.051CC..EExtended strand (participates in β ladder)trans-132.1112.6179.4-51.5169000108.2I600 L606 Y616 M625 F645 L650 C651 V652 S653I600-I623 HydrophobicContact CD1-CG1 4.35Å; I600-I623 HydrophobicContact CD1-CG2 4.3Å; I600-I623 HydrophobicContact CG1-CB 4.4Å; I600-I623 HydrophobicContact CG1-CG1 4.12Å; I600-I623 HydrophobicContact CG1-CG2 4.11Å; L606-I623 HydrophobicContact CD1-CD1 3.56Å; L606-I623 HydrophobicContact CD1-CG1 4.48Å; Y616-I623 HydrophobicContact CD1-CD1 4.03Å; Y616-I623 HydrophobicContact CD1-CG1 4.12Å; I623-M625 HydrophobicContact CG2-CG 3.69Å; I623-M625 HydrophobicContact CG2-SD 4.27Å; I623-F645 HydrophobicContact CD1-CD2 4.31Å; I623-L650 HydrophobicContact CD1-CD2 3.8Å; I623-C651 PolarHBondContact N-O 3.05Å; I623-V652 HydrophobicContact CB-CG1 4.38Å; I623-V652 WeakPolarHBondContact O-CA 3.11Å; I623-S653 PolarHBondContact O-N 3.11Å
624A98.5Very high95.4Very high0 Ų010.1 Ų10.10%05%0.054CC..EExtended strand (participates in β ladder)trans-85.1118.817200000109.6T310 H311 I600 S601 H602 S653T310-A624 WeakPolarHBondContact OG1-CB 3.17Å; H311-A624 HydrophobicContact CB-CB 3.9Å; I600-A624 PolarHBondContact O-N 3.03Å; S601-A624 CarbonylContact C-O 3.57Å; S601-A624 WeakPolarHBondContact CA-O 3.33Å; H602-A624 PolarHBondContact N-O 2.92Å; A624-S653 WeakPolarHBondContact CA-OG 3.3Å
625M98.4Very high95Very high0 Ų011.1 Ų11.10%06%0.059CC..EExtended strand (participates in β ladder)trans-117.9138.3-175.9-61.5-171.57300110.6L604 I623 P627 N640 P641 L642 F645 V652 S653 L654 S655L604-M625 HydrophobicContact CD2-CE 3.93Å; I623-M625 HydrophobicContact CG2-CG 3.69Å; I623-M625 HydrophobicContact CG2-SD 4.27Å; M625-P627 VanDerWaalsContact O-CD 3.3Å; M625-P627 WeakPolarHBondContact O-CD 3.28Å; M625-N640 WeakPolarHBondContact CE-OD1 3.43Å; M625-P641 HydrophobicContact CE-CG 3.91Å; M625-L642 HydrophobicContact CB-CD1 3.83Å; M625-L642 HydrophobicContact CB-CG 4.49Å; M625-L642 HydrophobicContact CE-CB 3.99Å; M625-L642 HydrophobicContact SD-CB 3.75Å; M625-L642 HydrophobicContact SD-CD1 4.3Å; M625-L642 HydrophobicContact SD-CG 3.93Å; M625-F645 HydrophobicContact CE-CD2 4.32Å; M625-F645 HydrophobicContact CE-CE2 4.28Å; M625-F645 HydrophobicContact SD-CD2 3.87Å; M625-F645 HydrophobicContact SD-CE2 4.32Å; M625-V652 HydrophobicContact SD-CG1 4.05Å; M625-S653 PolarHBondContact N-O 3.38Å; M625-L654 WeakPolarHBondContact O-CA 3.33Å; M625-S655 PolarHBondContact O-N 3.17Å; M625-S655 PolarHBondContact O-OG 2.9Å
626S97.9Very high94.5Very high0 Ų015.7 Ų15.70%08%0.08CC..  trans-119.179.3179.8-53.10000111.2L628 S629 N630 S655S626-L628 PolarHBondContact O-N 3.42Å; S626-S629 PolarHBondContact O-N 2.91Å; S626-N630 PolarHBondContact O-N 3.32Å; S626-N630 PolarHBondContact O-OD1 3.17Å; S626-S655 WeakPolarHBondContact CA-O 3.47Å; S626-S655 WeakPolarHBondContact CB-O 3.08Å; S626-S655 PolarHBondContact OG-O 3.42Å; S626-S655 PolarHBondContact OG-OG 3.46Å
627P97.3Very high94.3Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-57.4-36.8-172.8-28.837.3000115.8M625 N630 N631 Y637 L642 L654 E672 W680M625-P627 VanDerWaalsContact O-CD 3.3Å; M625-P627 WeakPolarHBondContact O-CD 3.28Å; P627-N630 PolarHBondContact O-N 3.19Å; P627-N631 VanDerWaalsContact O-CB 3.3Å; P627-N631 WeakPolarHBondContact O-CB 3.35Å; P627-N631 PolarHBondContact O-N 3.43Å; P627-Y637 HydrophobicContact CB-CD2 4.05Å; P627-Y637 HydrophobicContact CB-CE2 3.37Å; P627-L642 HydrophobicContact CG-CD1 3.75Å; P627-L654 HydrophobicContact CG-CD2 3.63Å; P627-E672 WeakPolarHBondContact CD-OE2 3.25Å; P627-W680 HydrophobicContact CB-CH2 3.87Å; P627-W680 HydrophobicContact CB-CZ2 4.49Å; P627-W680 HydrophobicContact CG-CH2 3.64Å; P627-W680 HydrophobicContact CG-CZ3 4.29Å
628L96Very high93.9Very high21 Ų2120.5 Ų20.511%0.1111%0.112CC..Hα-helixtrans-70.1-40.3178.3-66.1169.8000112S626 N631 S632 Y637 F662 E671 E672 I675S626-L628 PolarHBondContact O-N 3.42Å; L628-N631 WeakPolarHBondContact O-CB 3.28Å; L628-N631 PolarHBondContact O-N 3.01Å; L628-S632 PolarHBondContact O-N 3.42Å; L628-S632 PolarHBondContact O-OG 2.95Å; L628-Y637 HydrophobicContact CD2-CD2 4.11Å; L628-Y637 HydrophobicContact CD2-CE2 3.81Å; L628-Y637 HydrophobicContact CG-CE2 4.18Å; L628-F662 HydrophobicContact CB-CB 4.41Å; L628-E671 HydrophobicContact CD1-CG 4.21Å; L628-E672 WeakPolarHBondContact CB-OE1 3.37Å; L628-E672 HydrophobicContact CD1-CG 4.04Å; L628-E672 VanDerWaalsContact CG-OE1 3.31Å; L628-E672 WeakPolarHBondContact CG-OE1 3.39Å; L628-E672 PolarHBondContact N-OE1 3.48Å; L628-I675 HydrophobicContact CD1-CD1 4.01Å; L628-I675 HydrophobicContact CD2-CD1 3.87Å; L628-I675 HydrophobicContact CD2-CG2 4.38Å
629S94.9Very high93.7Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-59.2-51.5171.6171.20000110.8S626 N631 S632 L633 D657 F662S626-S629 PolarHBondContact O-N 2.91Å; S629-N631 PolarHBondContact O-N 3.41Å; S629-S632 PolarHBondContact O-N 3.33Å; S629-L633 PolarHBondContact O-N 3.3Å; S629-L633 VanDerWaalsContact O-N 3.12Å; S629-D657 WeakPolarHBondContact CB-OD2 3.36Å; S629-D657 PolarHBondContact OG-OD2 3.44Å; S629-F662 VanDerWaalsContact CB-CE2 3.42Å; S629-F662 VanDerWaalsContact OG-CE2 3.26Å; S629-F662 WeakPolarHBondContact OG-CE2 3.35Å; S629-F662 WeakPolarHBondContact OG-CZ 3.17Å
630N93.8Very high93.6Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-59.6-34.4179.3-63.9156.5000112.5E583 H602 L604 S626 P627 S632 L633 F634 L635 N640E583-N630 PolarHBondContact OE1-ND2 3.14Å; H602-N630 PolarHBondContact ND1-ND2 3.07Å; L604-N630 HydrophobicContact CD1-CB 4.21Å; S626-N630 PolarHBondContact O-N 3.32Å; S626-N630 PolarHBondContact O-OD1 3.17Å; P627-N630 PolarHBondContact O-N 3.19Å; N630-S632 VanDerWaalsContact C-N 3.34Å; N630-L633 PolarHBondContact O-N 3.38Å; N630-F634 PolarHBondContact O-N 2.91Å; N630-L635 HydrophobicContact CB-CD2 4.28Å; N630-L635 PolarHBondContact O-N 3.43Å; N630-L635 VanDerWaalsContact O-N 3.09Å; N630-L635 VanDerWaalsContact O-O 3.14Å; N630-N640 PolarHBondContact OD1-ND2 3.26Å
631N92.4Very high93.5Very high61 Ų6123.6 Ų23.633%0.32613%0.125SC..Hα-helixtrans-60-41.6174.2179.774.5000113.2P627 L628 S629 L635 Y637P627-N631 VanDerWaalsContact O-CB 3.3Å; P627-N631 WeakPolarHBondContact O-CB 3.35Å; P627-N631 PolarHBondContact O-N 3.43Å; L628-N631 WeakPolarHBondContact O-CB 3.28Å; L628-N631 PolarHBondContact O-N 3.01Å; S629-N631 PolarHBondContact O-N 3.41Å; N631-L635 WeakPolarHBondContact CA-O 3.5Å; N631-Y637 HydrophobicContact CB-CD2 4.1Å; N631-Y637 WeakPolarHBondContact OD1-CB 3.44Å; N631-Y637 PolarHBondContact OD1-N 3.23Å
632S86.5Confident93.5Very high21 Ų2123.5 Ų23.515%0.14712%0.124CC..Hα-helixtrans-82.2-19.9-176.9-67.10000113.7T376 F377 L628 S629 N630T376-S632 PolarHBondContact OG1-O 2.91Å; F377-S632 WeakPolarHBondContact CA-O 3.32Å; F377-S632 PolarHBondContact N-O 2.92Å; L628-S632 PolarHBondContact O-N 3.42Å; L628-S632 PolarHBondContact O-OG 2.95Å; S629-S632 PolarHBondContact O-N 3.33Å; N630-S632 VanDerWaalsContact C-N 3.34Å
633L81.8Confident93.5Very high4 Ų428 Ų282%0.02114%0.139CC..Hα-helixtrans-112.9-35-171.7-65.7-179.3000115.3H378 F383 S629 N630 F662H378-L633 PolarHBondContact N-O 2.91Å; F383-L633 HydrophobicContact CB-CD2 3.86Å; F383-L633 HydrophobicContact CD2-CD1 3.99Å; F383-L633 HydrophobicContact CD2-CD2 3.87Å; F383-L633 HydrophobicContact CD2-CG 4.48Å; F383-L633 HydrophobicContact CE2-CD1 4.07Å; F383-L633 HydrophobicContact CG-CD1 4.28Å; F383-L633 HydrophobicContact CG-CD2 3.98Å; F383-L633 HydrophobicContact CZ-CD1 4.43Å; S629-L633 PolarHBondContact O-N 3.3Å; S629-L633 VanDerWaalsContact O-N 3.12Å; N630-L633 PolarHBondContact O-N 3.38Å; L633-F662 HydrophobicContact CD1-CZ 3.88Å; L633-F662 HydrophobicContact CG-CE1 4.26Å; L633-F662 HydrophobicContact CG-CZ 4.13Å
634F81.4Confident93.4Very high21 Ų2131.7 Ų31.79%0.09216%0.157CC..THydrogen-bonded Turntrans-137.4-35.2-165.7-56.3-88000116.9F377 H378 F380 E583 A584 N630F377-F634 WeakPolarHBondContact CZ-O 3.48Å; H378-F634 PolarHBondContact CE1-O 3.26Å; H378-F634 VanDerWaalsContact CE1-O 3.23Å; F380-F634 HydrophobicContact CD2-CE1 4.44Å; F380-F634 HydrophobicContact CE1-CE1 4.35Å; F380-F634 AromaticContact CE1-CZ 3.74Å; F380-F634 HydrophobicContact CE1-CZ 3.74Å; F380-F634 HydrophobicContact CE2-CD1 4.4Å; F380-F634 AromaticContact CE2-CE1 3.26Å; F380-F634 HydrophobicContact CE2-CE1 3.26Å; F380-F634 AromaticContact CE2-CZ 3.53Å; F380-F634 HydrophobicContact CE2-CZ 3.53Å; F380-F634 AromaticContact CZ-CE1 3.27Å; F380-F634 HydrophobicContact CZ-CE1 3.27Å; F380-F634 HydrophobicContact CZ-CE2 4.25Å; F380-F634 AromaticContact CZ-CZ 3.04Å; F380-F634 HydrophobicContact CZ-CZ 3.04Å; E583-F634 HydrophobicContact CG-CD2 3.96Å; E583-F634 HydrophobicContact CG-CE1 4.3Å; E583-F634 HydrophobicContact CG-CE2 3.49Å; E583-F634 VanDerWaalsContact CG-CE2 3.49Å; E583-F634 HydrophobicContact CG-CZ 3.62Å; E583-F634 WeakPolarHBondContact OE1-CE2 3.34Å; E583-F634 WeakPolarHBondContact OE2-CZ 3.46Å; A584-F634 HydrophobicContact CB-CD1 4.01Å; A584-F634 HydrophobicContact CB-CE1 3.59Å; N630-F634 PolarHBondContact O-N 2.91Å
635L88.8Confident93.4Very high20 Ų2031.7 Ų31.711%0.10516%0.157CC..SBendtrans-154.1153.5-175.262.6131.4000110.9L604 N630 N631 K639 N640L604-L635 HydrophobicContact CD1-CD2 3.38Å; L604-L635 HydrophobicContact CD2-CD2 4Å; L604-L635 HydrophobicContact CG-CD2 4.24Å; N630-L635 HydrophobicContact CB-CD2 4.28Å; N630-L635 PolarHBondContact O-N 3.43Å; N630-L635 VanDerWaalsContact O-N 3.09Å; N630-L635 VanDerWaalsContact O-O 3.14Å; N631-L635 WeakPolarHBondContact CA-O 3.5Å; L635-K639 HydrophobicContact CD1-CB 3.93Å; L635-K639 VanDerWaalsContact CD1-O 3.28Å; L635-K639 WeakPolarHBondContact CD1-O 3.3Å; L635-N640 VanDerWaalsContact CD1-CA 3.44Å; L635-N640 HydrophobicContact CD1-CB 3.95Å; L635-N640 VanDerWaalsContact CD1-N 3.31Å
636E89.6Confident93.4Very high97 Ų9731.7 Ų31.745%0.45316%0.157SC..  trans-60.3145.7172.4-67.8154.3-136.500112.3S638 K639E636-S638 PolarHBondContact O-N 3.45Å; E636-S638 VanDerWaalsContact O-N 3.13Å; E636-K639 HydrophobicContact CB-CD 4.25Å; E636-K639 HydrophobicContact CB-CG 4.38Å; E636-K639 VanDerWaalsContact CD-NZ 3.27Å; E636-K639 WeakPolarHBondContact O-CA 3.38Å; E636-K639 WeakPolarHBondContact O-CB 3.19Å; E636-K639 PolarHBondContact O-N 3.39Å; E636-K639 IonicContact OE1-NZ 3.76Å; E636-K639 PolarHBondContact OE1-NZ 2.76Å; E636-K639 VanDerWaalsContact OE2-CE 3.28Å; E636-K639 WeakPolarHBondContact OE2-CE 3.34Å; E636-K639 IonicContact OE2-NZ 2.84Å; E636-K639 PolarHBondContact OE2-NZ 3.3Å
637Y93.1Very high93.4Very high18 Ų1832.5 Ų32.57%0.07116%0.16CC..G310 helixtrans-51.9-40.2-179.5-163.7-81.4000113.2P627 L628 N631 K639 N640 I675 A676 L679 W680P627-Y637 HydrophobicContact CB-CD2 4.05Å; P627-Y637 HydrophobicContact CB-CE2 3.37Å; L628-Y637 HydrophobicContact CD2-CD2 4.11Å; L628-Y637 HydrophobicContact CD2-CE2 3.81Å; L628-Y637 HydrophobicContact CG-CE2 4.18Å; N631-Y637 HydrophobicContact CB-CD2 4.1Å; N631-Y637 WeakPolarHBondContact OD1-CB 3.44Å; N631-Y637 PolarHBondContact OD1-N 3.23Å; Y637-K639 PolarHBondContact O-N 3.11Å; Y637-N640 VanDerWaalsContact O-CB 3.27Å; Y637-N640 WeakPolarHBondContact O-CB 3.36Å; Y637-N640 PolarHBondContact O-N 3.24Å; Y637-N640 VanDerWaalsContact O-N 3.14Å; Y637-I675 HydrophobicContact CE1-CG2 4.19Å; Y637-I675 HydrophobicContact CE2-CG2 3.96Å; Y637-A676 VanDerWaalsContact OH-CA 3.25Å; Y637-A676 WeakPolarHBondContact OH-CA 3.49Å; Y637-A676 PolarHBondContact OH-N 2.92Å; Y637-L679 HydrophobicContact CD1-CB 4.47Å; Y637-L679 HydrophobicContact CD1-CD1 3.46Å; Y637-L679 VanDerWaalsContact CD1-CD1 3.46Å; Y637-L679 HydrophobicContact CE1-CB 4.17Å; Y637-L679 HydrophobicContact CE1-CD1 3.56Å; Y637-L679 HydrophobicContact CE1-CG 4.47Å; Y637-L679 HydrophobicContact CG-CD1 4.14Å; Y637-W680 AromaticContact CD1-CZ2 3.91Å; Y637-W680 HydrophobicContact CD1-CZ2 3.91Å; Y637-W680 HydrophobicContact CE1-CD2 4.36Å; Y637-W680 AromaticContact CE1-CE2 3.64Å; Y637-W680 AromaticContact CE1-CH2 3.93Å; Y637-W680 HydrophobicContact CE1-CH2 3.93Å; Y637-W680 AromaticContact CE1-CZ2 3.39Å; Y637-W680 HydrophobicContact CE1-CZ2 3.39Å; Y637-W680 AromaticContact CZ-CZ2 3.94Å
638S91.6Very high93.4Very high90 Ų9033.1 Ų33.163%0.62916%0.163SC*.G310 helixtrans-63.8-24.1178.857.70000113.6E636E636-S638 PolarHBondContact O-N 3.45Å; E636-S638 VanDerWaalsContact O-N 3.13Å
639K92.9Very high93.6Very high115 Ų11532.5 Ų32.550%0.516%0.162SC..G310 helixtrans-92.10.9179.5-63.5174.8-179.5160.60112.6L635 E636 Y637L635-K639 HydrophobicContact CD1-CB 3.93Å; L635-K639 VanDerWaalsContact CD1-O 3.28Å; L635-K639 WeakPolarHBondContact CD1-O 3.3Å; E636-K639 HydrophobicContact CB-CD 4.25Å; E636-K639 HydrophobicContact CB-CG 4.38Å; E636-K639 VanDerWaalsContact CD-NZ 3.27Å; E636-K639 WeakPolarHBondContact O-CA 3.38Å; E636-K639 WeakPolarHBondContact O-CB 3.19Å; E636-K639 PolarHBondContact O-N 3.39Å; E636-K639 IonicContact OE1-NZ 3.76Å; E636-K639 PolarHBondContact OE1-NZ 2.76Å; E636-K639 VanDerWaalsContact OE2-CE 3.28Å; E636-K639 WeakPolarHBondContact OE2-CE 3.34Å; E636-K639 IonicContact OE2-NZ 2.84Å; E636-K639 PolarHBondContact OE2-NZ 3.3Å; Y637-K639 PolarHBondContact O-N 3.11Å
640N96.9Very high93.7Very high8 Ų832.6 Ų32.64%0.04316%0.162CC..  trans-71.5130.6178.4-170.2-60.9000110.3M625 N630 L635 Y637 L642 W680M625-N640 WeakPolarHBondContact CE-OD1 3.43Å; N630-N640 PolarHBondContact OD1-ND2 3.26Å; L635-N640 VanDerWaalsContact CD1-CA 3.44Å; L635-N640 HydrophobicContact CD1-CB 3.95Å; L635-N640 VanDerWaalsContact CD1-N 3.31Å; Y637-N640 VanDerWaalsContact O-CB 3.27Å; Y637-N640 WeakPolarHBondContact O-CB 3.36Å; Y637-N640 PolarHBondContact O-N 3.24Å; Y637-N640 VanDerWaalsContact O-N 3.14Å; N640-L642 VanDerWaalsContact C-N 3.28Å; N640-L642 PolarHBondContact O-N 2.96Å; N640-L642 WeakPolarHBondContact OD1-CB 3.33Å; N640-L642 PolarHBondContact OD1-N 2.66Å; N640-W680 HydrophobicContact CB-CH2 4.41Å; N640-W680 HydrophobicContact CB-CZ2 3.93Å
641P97.1Very high93.9Very high3 Ų333.1 Ų33.12%0.01917%0.166CC..THydrogen-bonded Turntrans-83.43.7-170.835.3-36.3000114L604 K607 M625 R643 E644 F645L604-P641 HydrophobicContact CD2-CG 4.07Å; K607-P641 HydrophobicContact CB-CB 4.46Å; K607-P641 HydrophobicContact CD-CB 4.38Å; K607-P641 HydrophobicContact CD-CG 4.35Å; M625-P641 HydrophobicContact CE-CG 3.91Å; P641-R643 PolarHBondContact O-N 3.5Å; P641-E644 WeakPolarHBondContact O-CB 3.45Å; P641-E644 PolarHBondContact O-N 3.38Å; P641-F645 HydrophobicContact CB-CD1 3.92Å; P641-F645 HydrophobicContact CB-CE1 3.49Å; P641-F645 VanDerWaalsContact CB-CE1 3.49Å; P641-F645 HydrophobicContact CB-CE2 4.23Å; P641-F645 HydrophobicContact CB-CG 4.45Å; P641-F645 HydrophobicContact CB-CZ 3.68Å; P641-F645 HydrophobicContact CG-CE1 3.99Å; P641-F645 HydrophobicContact CG-CE2 3.89Å; P641-F645 HydrophobicContact CG-CZ 3.61Å; P641-F645 WeakPolarHBondContact O-CB 3.36Å; P641-F645 WeakPolarHBondContact O-CD1 3.28Å; P641-F645 WeakPolarHBondContact O-CG 3.38Å; P641-F645 PolarHBondContact O-N 2.96Å
642L97.8Very high94.2Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-53.5-48.8-176.9-172.5162000112.7M625 P627 N640 E644 F645 L646 V652 L654 W680 I690M625-L642 HydrophobicContact CB-CD1 3.83Å; M625-L642 HydrophobicContact CB-CG 4.49Å; M625-L642 HydrophobicContact CE-CB 3.99Å; M625-L642 HydrophobicContact SD-CB 3.75Å; M625-L642 HydrophobicContact SD-CD1 4.3Å; M625-L642 HydrophobicContact SD-CG 3.93Å; P627-L642 HydrophobicContact CG-CD1 3.75Å; N640-L642 VanDerWaalsContact C-N 3.28Å; N640-L642 PolarHBondContact O-N 2.96Å; N640-L642 WeakPolarHBondContact OD1-CB 3.33Å; N640-L642 PolarHBondContact OD1-N 2.66Å; L642-E644 VanDerWaalsContact C-N 3.33Å; L642-E644 PolarHBondContact O-N 3.22Å; L642-F645 PolarHBondContact O-N 2.97Å; L642-L646 WeakPolarHBondContact O-CB 3.49Å; L642-L646 PolarHBondContact O-N 3.1Å; L642-V652 HydrophobicContact CD2-CG2 4.24Å; L642-V652 HydrophobicContact CG-CG2 4.36Å; L642-L654 HydrophobicContact CD1-CD2 3.32Å; L642-L654 HydrophobicContact CD1-CG 3.94Å; L642-W680 HydrophobicContact CB-CH2 3.74Å; L642-W680 HydrophobicContact CB-CZ3 3.83Å; L642-W680 HydrophobicContact CD1-CH2 4.21Å; L642-W680 HydrophobicContact CD1-CZ3 3.95Å; L642-W680 HydrophobicContact CD2-CE3 4.23Å; L642-W680 HydrophobicContact CD2-CH2 4.47Å; L642-W680 HydrophobicContact CD2-CZ3 3.67Å; L642-W680 HydrophobicContact CG-CH2 4.36Å; L642-W680 HydrophobicContact CG-CZ3 4.03Å; L642-I690 HydrophobicContact CD2-CD1 4.23Å
643R97.2Very high94.8Very high108 Ų10829.2 Ų29.241%0.40814%0.143SC..Hα-helixtrans-58.3-46.6176.8-174.8-164.4179.9178.1-1.1111.4P641 F645 L646 H647 W680 L682P641-R643 PolarHBondContact O-N 3.5Å; R643-F645 VanDerWaalsContact C-N 3.33Å; R643-F645 PolarHBondContact O-N 2.84Å; R643-L646 PolarHBondContact O-N 3.1Å; R643-H647 PolarHBondContact O-CD2 2.97Å; R643-H647 PolarHBondContact O-N 3.02Å; R643-W680 HydrophobicContact CB-CB 4.25Å; R643-W680 HydrophobicContact CB-CD2 3.99Å; R643-W680 HydrophobicContact CB-CE3 4.29Å; R643-W680 HydrophobicContact CB-CG 3.97Å; R643-W680 HydrophobicContact CG-CB 4.15Å; R643-W680 HydrophobicContact CG-CG 4.37Å; R643-W680 PolarHBondContact NE-O 3.38Å; R643-L682 HydrophobicContact CG-CD2 4.35Å
644E97.4Very high95.6Very high78 Ų7829 Ų2936%0.36414%0.142SC..Hα-helixtrans-61.6-43.4179.2-172.2-160.1130.900111.3P641 L642 H647 K648P641-E644 WeakPolarHBondContact O-CB 3.45Å; P641-E644 PolarHBondContact O-N 3.38Å; L642-E644 VanDerWaalsContact C-N 3.33Å; L642-E644 PolarHBondContact O-N 3.22Å; E644-H647 PolarHBondContact O-N 3.26Å; E644-K648 HydrophobicContact CG-CD 4.18Å; E644-K648 WeakPolarHBondContact O-CB 3.41Å; E644-K648 WeakPolarHBondContact O-CG 3.45Å; E644-K648 PolarHBondContact O-N 2.82Å; E644-K648 WeakPolarHBondContact OE1-CE 2.89Å; E644-K648 IonicContact OE1-NZ 3.34Å; E644-K648 PolarHBondContact OE1-NZ 3.15Å
645F98.6Very high96.4Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-64-43.6178.6-71.75.5000111.1L606 K607 I623 M625 P641 L642 R643 K648 G649 L650 V652L606-F645 HydrophobicContact CB-CE2 4.2Å; L606-F645 HydrophobicContact CB-CZ 3.77Å; L606-F645 HydrophobicContact CD1-CE2 4.36Å; K607-F645 HydrophobicContact CB-CE1 4.33Å; K607-F645 HydrophobicContact CB-CZ 4.44Å; I623-F645 HydrophobicContact CD1-CD2 4.31Å; M625-F645 HydrophobicContact CE-CD2 4.32Å; M625-F645 HydrophobicContact CE-CE2 4.28Å; M625-F645 HydrophobicContact SD-CD2 3.87Å; M625-F645 HydrophobicContact SD-CE2 4.32Å; P641-F645 HydrophobicContact CB-CD1 3.92Å; P641-F645 HydrophobicContact CB-CE1 3.49Å; P641-F645 VanDerWaalsContact CB-CE1 3.49Å; P641-F645 HydrophobicContact CB-CE2 4.23Å; P641-F645 HydrophobicContact CB-CG 4.45Å; P641-F645 HydrophobicContact CB-CZ 3.68Å; P641-F645 HydrophobicContact CG-CE1 3.99Å; P641-F645 HydrophobicContact CG-CE2 3.89Å; P641-F645 HydrophobicContact CG-CZ 3.61Å; P641-F645 WeakPolarHBondContact O-CB 3.36Å; P641-F645 WeakPolarHBondContact O-CD1 3.28Å; P641-F645 WeakPolarHBondContact O-CG 3.38Å; P641-F645 PolarHBondContact O-N 2.96Å; L642-F645 PolarHBondContact O-N 2.97Å; R643-F645 VanDerWaalsContact C-N 3.33Å; R643-F645 PolarHBondContact O-N 2.84Å; F645-K648 PolarHBondContact O-N 3.33Å; F645-G649 PolarHBondContact O-N 3.5Å; F645-G649 VanDerWaalsContact O-N 3.1Å; F645-L650 HydrophobicContact CB-CB 4.13Å; F645-L650 HydrophobicContact CB-CD1 4.46Å; F645-L650 HydrophobicContact CB-CD2 4.47Å; F645-L650 HydrophobicContact CD2-CD2 4.42Å; F645-L650 HydrophobicContact CG-CD2 4.28Å; F645-L650 WeakPolarHBondContact O-CB 3.24Å; F645-L650 PolarHBondContact O-N 3.25Å; F645-V652 HydrophobicContact CB-CG1 3.62Å; F645-V652 HydrophobicContact CD2-CG1 4.16Å; F645-V652 HydrophobicContact CG-CG1 4.43Å
646L98.4Very high96.9Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-60.3-46.7173.9-17968.3000111.4L642 R643 K648 G649 V652 L682 D686 E689 I690 R736L642-L646 WeakPolarHBondContact O-CB 3.49Å; L642-L646 PolarHBondContact O-N 3.1Å; R643-L646 PolarHBondContact O-N 3.1Å; L646-K648 VanDerWaalsContact C-N 3.31Å; L646-K648 PolarHBondContact O-N 3.46Å; L646-G649 WeakPolarHBondContact O-CA 3.32Å; L646-G649 PolarHBondContact O-N 3.19Å; L646-V652 HydrophobicContact CB-CG2 3.89Å; L646-V652 HydrophobicContact CD1-CG2 4.09Å; L646-L682 HydrophobicContact CD2-CD2 4.27Å; L646-D686 HydrophobicContact CD2-CB 4.05Å; L646-E689 HydrophobicContact CD1-CG 4.39Å; L646-I690 HydrophobicContact CD1-CG1 4.22Å; L646-I690 HydrophobicContact CD2-CD1 4.07Å; L646-I690 HydrophobicContact CD2-CG1 4.18Å; L646-R736 VanDerWaalsContact O-CZ 3.22Å; L646-R736 PolarHBondContact O-NH1 2.85Å; L646-R736 PolarHBondContact O-NH2 3.18Å
647H97.8Very high97.2Very high17 Ų1722.6 Ų22.68%0.07911%0.112CC..Hα-helixtrans-62.9-39.9-179.7-78.4-132.7000111.3F279 E283 R643 E644 G649 R736F279-H647 VanDerWaalsContact CB-O 3.24Å; F279-H647 WeakPolarHBondContact CB-O 3.42Å; F279-H647 HydrophobicContact CD1-CB 3.75Å; F279-H647 AromaticContact CD1-CG 3.62Å; F279-H647 AromaticContact CD1-ND1 3.65Å; F279-H647 HydrophobicContact CE1-CB 4.28Å; F279-H647 AromaticContact CE1-CD2 3.89Å; F279-H647 AromaticContact CE1-CE1 3.99Å; F279-H647 AromaticContact CE1-CG 3.79Å; F279-H647 AromaticContact CE1-ND1 3.88Å; F279-H647 WeakPolarHBondContact CG-O 3.08Å; E283-H647 IonicContact OE1-CE1 3.91Å; E283-H647 IonicContact OE2-CE1 3.58Å; E283-H647 PolarHBondContact OE2-CE1 3.22Å; E283-H647 IonicContact OE2-ND1 2.67Å; R643-H647 PolarHBondContact O-CD2 2.97Å; R643-H647 PolarHBondContact O-N 3.02Å; E644-H647 PolarHBondContact O-N 3.26Å; H647-G649 PolarHBondContact O-N 2.94Å; H647-R736 PolarHBondContact O-NH1 3.08Å
648K98.3Very high97.4Very high13 Ų1321.8 Ų21.86%0.05711%0.109CC..Hα-helixtrans-67.8-13.9173-73.1172.2169-178.60113.9L272 Y617 E644 F645 L646 L650L272-K648 HydrophobicContact CB-CD 4.37Å; L272-K648 HydrophobicContact CD2-CD 4.07Å; Y617-K648 WeakPolarHBondContact CD2-O 3.24Å; Y617-K648 WeakPolarHBondContact CE2-O 3.36Å; E644-K648 HydrophobicContact CG-CD 4.18Å; E644-K648 WeakPolarHBondContact O-CB 3.41Å; E644-K648 WeakPolarHBondContact O-CG 3.45Å; E644-K648 PolarHBondContact O-N 2.82Å; E644-K648 WeakPolarHBondContact OE1-CE 2.89Å; E644-K648 IonicContact OE1-NZ 3.34Å; E644-K648 PolarHBondContact OE1-NZ 3.15Å; F645-K648 PolarHBondContact O-N 3.33Å; L646-K648 VanDerWaalsContact C-N 3.31Å; L646-K648 PolarHBondContact O-N 3.46Å; K648-L650 HydrophobicContact CB-CD1 3.68Å
649G98.4Very high97.6Very high8 Ų817.5 Ų17.58%0.0828%0.079CC..THydrogen-bonded Turntrans87.321.3178.700000114.7Y617 Q620 F645 L646 H647 R736Y617-G649 WeakPolarHBondContact CD2-O 3.48Å; Q620-G649 PolarHBondContact NE2-O 3.24Å; Q620-G649 VanDerWaalsContact NE2-O 3.15Å; F645-G649 PolarHBondContact O-N 3.5Å; F645-G649 VanDerWaalsContact O-N 3.1Å; L646-G649 WeakPolarHBondContact O-CA 3.32Å; L646-G649 PolarHBondContact O-N 3.19Å; H647-G649 PolarHBondContact O-N 2.94Å; G649-R736 VanDerWaalsContact CA-NH1 3.29Å
650L98.6Very high97.8Very high2 Ų212 Ų121%0.016%0.055CC..  trans-70.2147.9167.6-75.183.5000109.9Q613 I623 F645 K648 V652Q613-L650 HydrophobicContact CG-CD1 4.2Å; Q613-L650 HydrophobicContact CG-CD2 4.05Å; I623-L650 HydrophobicContact CD1-CD2 3.8Å; F645-L650 HydrophobicContact CB-CB 4.13Å; F645-L650 HydrophobicContact CB-CD1 4.46Å; F645-L650 HydrophobicContact CB-CD2 4.47Å; F645-L650 HydrophobicContact CD2-CD2 4.42Å; F645-L650 HydrophobicContact CG-CD2 4.28Å; F645-L650 WeakPolarHBondContact O-CB 3.24Å; F645-L650 PolarHBondContact O-N 3.25Å; K648-L650 HydrophobicContact CB-CD1 3.68Å; L650-V652 VanDerWaalsContact C-N 3.34Å; L650-V652 HydrophobicContact CB-CG1 4.31Å; L650-V652 PolarHBondContact O-N 3.39Å
651C98.3Very high97.6Very high11 Ų1111.7 Ų11.77%0.0745%0.053CC..  trans-78.579.8179.4-172.80000110.6P622 I623P622-C651 CarbonylContact C-O 3.58Å; P622-C651 VanDerWaalsContact CA-O 3.27Å; P622-C651 WeakPolarHBondContact CA-O 3.49Å; I623-C651 PolarHBondContact N-O 3.05Å
652V98.6Very high97.4Very high0 Ų011.9 Ų11.90%05%0.054CC..EExtended strand (participates in β ladder)trans-96.5146.6179.1-61.70000112.1I623 M625 L642 F645 L646 L650 N693I623-V652 HydrophobicContact CB-CG1 4.38Å; I623-V652 WeakPolarHBondContact O-CA 3.11Å; M625-V652 HydrophobicContact SD-CG1 4.05Å; L642-V652 HydrophobicContact CD2-CG2 4.24Å; L642-V652 HydrophobicContact CG-CG2 4.36Å; F645-V652 HydrophobicContact CB-CG1 3.62Å; F645-V652 HydrophobicContact CD2-CG1 4.16Å; F645-V652 HydrophobicContact CG-CG1 4.43Å; L646-V652 HydrophobicContact CB-CG2 3.89Å; L646-V652 HydrophobicContact CD1-CG2 4.09Å; L650-V652 VanDerWaalsContact C-N 3.34Å; L650-V652 HydrophobicContact CB-CG1 4.31Å; L650-V652 PolarHBondContact O-N 3.39Å; V652-N693 WeakPolarHBondContact O-CB 3.23Å; V652-N693 PolarHBondContact O-ND2 2.92Å
653S98.5Very high97.3Very high0 Ų011.9 Ų11.90%05%0.054CC..EExtended strand (participates in β ladder)trans-129.1158.4169.271.70000110.6T310 I623 A624 M625 Q697T310-S653 PolarHBondContact OG1-OG 3.26Å; I623-S653 PolarHBondContact O-N 3.11Å; A624-S653 WeakPolarHBondContact CA-OG 3.3Å; M625-S653 PolarHBondContact N-O 3.38Å; S653-Q697 PolarHBondContact OG-OE1 3.16Å
654L98.6Very high97.1Very high0 Ų014.2 Ų14.20%06%0.064CC..EExtended strand (participates in β ladder)trans-96.4140.2173.4-81.4169.4000110.4M625 P627 L642 Y673 A676 I690M625-L654 WeakPolarHBondContact O-CA 3.33Å; P627-L654 HydrophobicContact CG-CD2 3.63Å; L642-L654 HydrophobicContact CD1-CD2 3.32Å; L642-L654 HydrophobicContact CD1-CG 3.94Å; L654-Y673 HydrophobicContact CB-CD2 4.05Å; L654-Y673 HydrophobicContact CB-CE2 3.66Å; L654-Y673 HydrophobicContact CD1-CD1 3.89Å; L654-Y673 HydrophobicContact CD1-CD2 3.78Å; L654-Y673 HydrophobicContact CD1-CE1 4.13Å; L654-Y673 HydrophobicContact CD1-CE2 4.06Å; L654-Y673 HydrophobicContact CD1-CG 3.74Å; L654-A676 HydrophobicContact CD1-CB 3.98Å; L654-I690 HydrophobicContact CB-CG2 4.08Å; L654-I690 HydrophobicContact CD1-CD1 4.48Å; L654-I690 HydrophobicContact CD1-CG2 4.14Å; L654-I690 HydrophobicContact CG-CG2 3.93Å
655S98.3Very high96.9Very high0 Ų013.2 Ų13.20%06%0.063CC..  trans-143.8165.8179.651.70000111.6D309 H311 M625 S626D309-S655 WeakPolarHBondContact OD1-CA 3.42Å; D309-S655 WeakPolarHBondContact OD1-CB 3.4Å; H311-S655 VanDerWaalsContact CB-CB 3.49Å; H311-S655 WeakPolarHBondContact CB-OG 3.43Å; H311-S655 WeakPolarHBondContact O-CB 3.42Å; M625-S655 PolarHBondContact O-N 3.17Å; M625-S655 PolarHBondContact O-OG 2.9Å; S626-S655 WeakPolarHBondContact CA-O 3.47Å; S626-S655 WeakPolarHBondContact CB-O 3.08Å; S626-S655 PolarHBondContact OG-O 3.42Å; S626-S655 PolarHBondContact OG-OG 3.46Å
656T98.1Very high96.5Very high0 Ų020 Ų200%09%0.093CC..  trans-104.7-18.4-17063.70000115.1D309 H311 D658 P659 H663 P668 L669 E672D309-T656 PolarHBondContact OD1-N 3.19Å; D309-T656 VanDerWaalsContact OD2-CB 3.28Å; D309-T656 WeakPolarHBondContact OD2-CB 3.49Å; D309-T656 WeakPolarHBondContact OD2-CG2 3.31Å; D309-T656 PolarHBondContact OD2-OG1 2.98Å; H311-T656 PolarHBondContact O-N 3.14Å; T656-D658 PolarHBondContact O-N 3.3Å; T656-P659 WeakPolarHBondContact OG1-CD 3.38Å; T656-P659 VanDerWaalsContact OG1-CG 3.26Å; T656-P659 WeakPolarHBondContact OG1-CG 3.24Å; T656-H663 PolarHBondContact O-CE1 3.1Å; T656-H663 VanDerWaalsContact O-CE1 3.25Å; T656-P668 HydrophobicContact CG2-CB 3.82Å; T656-L669 HydrophobicContact CG2-CB 3.97Å; T656-L669 HydrophobicContact CG2-CD1 4.07Å; T656-E672 HydrophobicContact CG2-CG 4.35Å
657D96.9Very high96.3Very high4 Ų424.1 Ų24.12%0.02111%0.112CC..BIsolated β-bridgetrans62.3-90.2-176.7-155.67.8000112.5H311 I312 H313 H602 S629 P659 F662H311-D657 IonicContact CE1-OD1 3.54Å; H311-D657 PolarHBondContact CE1-OD1 3.05Å; H311-D657 IonicContact ND1-OD1 3.67Å; H311-D657 IonicContact NE2-OD1 2.63Å; H311-D657 WeakPolarHBondContact O-CA 3.18Å; H311-D657 PolarHBondContact O-N 3.36Å; I312-D657 CarbonylContact C-O 3.44Å; I312-D657 WeakPolarHBondContact CA-O 3.26Å; H313-D657 IonicContact CD2-OD1 2.97Å; H313-D657 PolarHBondContact CD2-OD1 3.39Å; H313-D657 PolarHBondContact N-O 2.88Å; H313-D657 IonicContact NE2-OD1 3.11Å; H313-D657 PolarHBondContact NE2-OD1 2.88Å; H602-D657 IonicContact CE1-OD2 2.62Å; S629-D657 WeakPolarHBondContact CB-OD2 3.36Å; S629-D657 PolarHBondContact OG-OD2 3.44Å; D657-P659 WeakPolarHBondContact O-CD 3.36Å; D657-F662 HydrophobicContact CB-CD2 4.49Å; D657-F662 HydrophobicContact CB-CE2 4.38Å
658D96.9Very high96.2Very high0 Ų024.1 Ų24.10%011%0.114CC..  trans-121.785.4175.2-61.4-76.1000111.1H313 A316 F383 Y387 T656 M660 Q661 F662H313-D658 WeakPolarHBondContact CB-OD1 3.29Å; H313-D658 IonicContact CD2-OD1 3.67Å; H313-D658 PolarHBondContact CD2-OD1 2.85Å; H313-D658 IonicContact CD2-OD2 2.92Å; H313-D658 IonicContact CG-OD1 3.93Å; A316-D658 HydrophobicContact CB-CB 3.69Å; A316-D658 WeakPolarHBondContact CB-OD1 3.44Å; F383-D658 WeakPolarHBondContact CE2-OD2 3.47Å; F383-D658 VanDerWaalsContact CZ-OD2 3.23Å; F383-D658 WeakPolarHBondContact CZ-OD2 3.24Å; Y387-D658 WeakPolarHBondContact CE1-OD1 3.17Å; Y387-D658 VanDerWaalsContact CZ-OD1 3.24Å; Y387-D658 PolarHBondContact OH-OD1 2.93Å; Y387-D658 PolarHBondContact OH-OD2 3.44Å; T656-D658 PolarHBondContact O-N 3.3Å; D658-M660 PolarHBondContact O-N 2.92Å; D658-M660 VanDerWaalsContact O-N 3.1Å; D658-Q661 HydrophobicContact CB-CB 3.95Å; D658-Q661 HydrophobicContact CB-CG 3.83Å; D658-Q661 PolarHBondContact O-N 3.24Å; D658-F662 HydrophobicContact CB-CD2 3.85Å; D658-F662 HydrophobicContact CB-CE2 3.71Å; D658-F662 VanDerWaalsContact O-CD2 3.29Å; D658-F662 WeakPolarHBondContact O-CD2 3.27Å; D658-F662 PolarHBondContact O-N 3.2Å; D658-F662 VanDerWaalsContact O-N 3.07Å
659P96.9Very high96.2Very high1 Ų124 Ų241%0.00611%0.113CC..Hα-helixtrans-43.2-43.5172.3-35.537.5000115.2I312 A316 T656 D657 Q661 H663 P668I312-P659 HydrophobicContact CD1-CG 3.83Å; I312-P659 HydrophobicContact CG1-CG 4.17Å; A316-P659 WeakPolarHBondContact O-CB 3.39Å; A316-P659 WeakPolarHBondContact O-CD 3.23Å; T656-P659 WeakPolarHBondContact OG1-CD 3.38Å; T656-P659 VanDerWaalsContact OG1-CG 3.26Å; T656-P659 WeakPolarHBondContact OG1-CG 3.24Å; D657-P659 WeakPolarHBondContact O-CD 3.36Å; P659-Q661 PolarHBondContact O-N 2.94Å; P659-H663 WeakPolarHBondContact O-CB 3.37Å; P659-H663 PolarHBondContact O-N 2.77Å; P659-P668 HydrophobicContact CB-CB 3.85Å; P659-P668 HydrophobicContact CB-CG 3.65Å; P659-P668 HydrophobicContact CG-CB 3.92Å; P659-P668 HydrophobicContact CG-CG 4.08Å
660M95.3Very high96.1Very high0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-55.6-37.1178.6-171.7175.770.200112.8A316 M318 L323 V370 Y387 D658A316-M660 HydrophobicContact CB-CB 3.82Å; A316-M660 HydrophobicContact CB-CE 4.04Å; A316-M660 PolarHBondContact O-N 3.17Å; M318-M660 WeakPolarHBondContact O-CA 3.47Å; M318-M660 WeakPolarHBondContact O-CB 3.36Å; M318-M660 PolarHBondContact O-N 2.95Å; M318-M660 VanDerWaalsContact O-N 3.07Å; L323-M660 HydrophobicContact CD2-SD 3.56Å; L323-M660 VanDerWaalsContact CD2-SD 3.56Å; V370-M660 HydrophobicContact CB-CE 4.24Å; V370-M660 HydrophobicContact CB-CG 4.13Å; V370-M660 HydrophobicContact CB-SD 4.31Å; V370-M660 HydrophobicContact CG1-CE 4.3Å; V370-M660 HydrophobicContact CG1-SD 4.31Å; V370-M660 HydrophobicContact CG2-CG 3.98Å; Y387-M660 HydrophobicContact CD1-CE 4.43Å; D658-M660 PolarHBondContact O-N 2.92Å; D658-M660 VanDerWaalsContact O-N 3.1Å
661Q93Very high96.1Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-95.1-29-171-56.1-170.142.600113.1V370 H371 A372 K386 Y387 D658 P659V370-Q661 WeakPolarHBondContact O-CG 3.16Å; H371-Q661 PolarHBondContact CE1-O 3.17Å; H371-Q661 PolarHBondContact ND1-O 2.92Å; A372-Q661 HydrophobicContact CB-CB 4.27Å; A372-Q661 PolarHBondContact N-O 3.21Å; K386-Q661 HydrophobicContact CB-CG 4.35Å; Y387-Q661 VanDerWaalsContact CZ-NE2 3.28Å; D658-Q661 HydrophobicContact CB-CB 3.95Å; D658-Q661 HydrophobicContact CB-CG 3.83Å; D658-Q661 PolarHBondContact O-N 3.24Å; P659-Q661 PolarHBondContact O-N 2.94Å
662F94.4Very high96.1Very high8 Ų825.4 Ų25.44%0.03512%0.117CC..Hα-helixtrans-117-14.9-168.4-54.9-58.5000114.9A372 F383 L628 S629 L633 D657 D658A372-F662 HydrophobicContact CB-CD1 3.77Å; A372-F662 HydrophobicContact CB-CE1 3.38Å; A372-F662 HydrophobicContact CB-CZ 4.34Å; F383-F662 HydrophobicContact CD2-CZ 4.1Å; F383-F662 HydrophobicContact CE2-CE2 4.11Å; F383-F662 AromaticContact CE2-CZ 3.62Å; F383-F662 HydrophobicContact CE2-CZ 3.62Å; L628-F662 HydrophobicContact CB-CB 4.41Å; S629-F662 VanDerWaalsContact CB-CE2 3.42Å; S629-F662 VanDerWaalsContact OG-CE2 3.26Å; S629-F662 WeakPolarHBondContact OG-CE2 3.35Å; S629-F662 WeakPolarHBondContact OG-CZ 3.17Å; L633-F662 HydrophobicContact CD1-CZ 3.88Å; L633-F662 HydrophobicContact CG-CE1 4.26Å; L633-F662 HydrophobicContact CG-CZ 4.13Å; D657-F662 HydrophobicContact CB-CD2 4.49Å; D657-F662 HydrophobicContact CB-CE2 4.38Å; D658-F662 HydrophobicContact CB-CD2 3.85Å; D658-F662 HydrophobicContact CB-CE2 3.71Å; D658-F662 VanDerWaalsContact O-CD2 3.29Å; D658-F662 WeakPolarHBondContact O-CD2 3.27Å; D658-F662 PolarHBondContact O-N 3.2Å; D658-F662 VanDerWaalsContact O-N 3.07Å
663H95.4Very high96.1Very high0 Ų025.5 Ų25.50%012%0.117CC..  trans-116.8151.1-169.9-63.272.3000112.4T656 P659 P668 E671 E672T656-H663 PolarHBondContact O-CE1 3.1Å; T656-H663 VanDerWaalsContact O-CE1 3.25Å; P659-H663 WeakPolarHBondContact O-CB 3.37Å; P659-H663 PolarHBondContact O-N 2.77Å; H663-P668 HydrophobicContact CB-CB 4.03Å; H663-P668 HydrophobicContact CB-CG 4.43Å; H663-P668 PolarHBondContact CD2-O 3.4Å; H663-P668 VanDerWaalsContact CD2-O 3.25Å; H663-P668 PolarHBondContact NE2-O 2.93Å; H663-E671 WeakPolarHBondContact CB-OE2 3.31Å; H663-E671 IonicContact CD2-OE2 3.21Å; H663-E671 IonicContact CG-OE2 3.47Å; H663-E672 IonicContact CE1-OE1 2.68Å; H663-E672 VanDerWaalsContact NE2-CG 3.34Å; H663-E672 WeakPolarHBondContact NE2-CG 3.3Å; H663-E672 IonicContact NE2-OE1 3.52Å
664Y92.1Very high96Very high156 Ų15628 Ų2861%0.61214%0.139SC*.  trans-112.6-21.1-179.5-69.4-84.7000113.3H371 E671H371-Y664 PolarHBondContact CD2-OH 2.94Å; H371-Y664 VanDerWaalsContact CD2-OH 3.29Å; H371-Y664 AromaticContact CE1-CE1 3.97Å; H371-Y664 AromaticContact CE1-CE2 3.51Å; H371-Y664 AromaticContact CE1-CZ 3.36Å; H371-Y664 PolarHBondContact CE1-OH 3.39Å; H371-Y664 AromaticContact NE2-CE2 3.57Å; H371-Y664 AromaticContact NE2-CZ 3.25Å; H371-Y664 VanDerWaalsContact NE2-CZ 3.25Å; H371-Y664 PolarHBondContact NE2-OH 2.98Å; Y664-E671 PolarHBondContact N-OE1 2.72Å; Y664-E671 PolarHBondContact N-OE2 3.22Å; Y664-E671 VanDerWaalsContact N-OE2 3.1Å
665T93.6Very high96Very high58 Ų5830.4 Ų30.436%0.35615%0.151SC..SBendtrans-90.6165.6-173.867.80000112.8P319 E667 E671P319-T665 WeakPolarHBondContact CG-O 3.36Å; T665-E667 PolarHBondContact O-N 3.22Å; T665-E667 PolarHBondContact OG1-O 3.35Å; T665-E671 WeakPolarHBondContact CB-OE2 3.28Å; T665-E671 HydrophobicContact CG2-CB 4.14Å; T665-E671 HydrophobicContact CG2-CG 4.21Å; T665-E671 WeakPolarHBondContact CG2-OE2 3.48Å; T665-E671 PolarHBondContact N-OE2 3.34Å; T665-E671 WeakPolarHBondContact OG1-CB 3.15Å; T665-E671 PolarHBondContact OG1-OE2 2.94Å
666K90.8Very high95.9Very high141 Ų14130.4 Ų30.461%0.61315%0.151SC*.SBendtrans-70-21.9173.2-169.6-179.1177.3-163.50112.3D421 P668D421-K666 VanDerWaalsContact CG-CE 3.4Å; D421-K666 VanDerWaalsContact OD1-CE 3.31Å; D421-K666 WeakPolarHBondContact OD1-CE 3.41Å; D421-K666 IonicContact OD1-NZ 2.77Å; D421-K666 PolarHBondContact OD1-NZ 2.82Å; D421-K666 WeakPolarHBondContact OD2-CE 3.41Å; D421-K666 IonicContact OD2-NZ 3.46Å; D421-K666 PolarHBondContact OD2-NZ 3.23Å; K666-P668 VanDerWaalsContact C-CD 3.49Å; K666-P668 VanDerWaalsContact O-CD 3.26Å; K666-P668 WeakPolarHBondContact O-CD 3.35Å
667E93.4Very high95.9Very high87 Ų8731.4 Ų31.441%0.40716%0.159SC..  trans-118.477.4-178.9-63.7-179.882.500110.5Q428 T665 L669 M670 E671Q428-E667 PolarHBondContact NE2-OE1 2.97Å; T665-E667 PolarHBondContact O-N 3.22Å; T665-E667 PolarHBondContact OG1-O 3.35Å; E667-L669 VanDerWaalsContact C-N 3.32Å; E667-L669 PolarHBondContact O-N 3.12Å; E667-M670 HydrophobicContact CB-CB 3.8Å; E667-M670 HydrophobicContact CB-CG 3.84Å; E667-M670 WeakPolarHBondContact O-CA 3.25Å; E667-M670 WeakPolarHBondContact O-CB 3.19Å; E667-M670 PolarHBondContact O-N 3.33Å; E667-E671 PolarHBondContact O-N 3.48Å
668P96.6Very high95.9Very high18 Ų1837.6 Ų37.612%0.11719%0.188CC..Hα-helixtrans-53-45-173.3-28.334.7000113.6P319 T656 P659 H663 K666 M670 E671 E672P319-P668 HydrophobicContact CG-CG 4.07Å; T656-P668 HydrophobicContact CG2-CB 3.82Å; P659-P668 HydrophobicContact CB-CB 3.85Å; P659-P668 HydrophobicContact CB-CG 3.65Å; P659-P668 HydrophobicContact CG-CB 3.92Å; P659-P668 HydrophobicContact CG-CG 4.08Å; H663-P668 HydrophobicContact CB-CB 4.03Å; H663-P668 HydrophobicContact CB-CG 4.43Å; H663-P668 PolarHBondContact CD2-O 3.4Å; H663-P668 VanDerWaalsContact CD2-O 3.25Å; H663-P668 PolarHBondContact NE2-O 2.93Å; K666-P668 VanDerWaalsContact C-CD 3.49Å; K666-P668 VanDerWaalsContact O-CD 3.26Å; K666-P668 WeakPolarHBondContact O-CD 3.35Å; P668-M670 VanDerWaalsContact C-N 3.29Å; P668-M670 PolarHBondContact O-N 2.97Å; P668-E671 WeakPolarHBondContact O-CB 3.49Å; P668-E671 PolarHBondContact O-N 2.88Å; P668-E671 VanDerWaalsContact O-N 3.13Å; P668-E672 PolarHBondContact O-N 2.97Å; P668-E672 VanDerWaalsContact O-N 3.08Å
669L97.6Very high95.8Very high9 Ų942.6 Ų42.65%0.04721%0.214CC..Hα-helixtrans-65.9-32.1178.7-172.567.6000111.8K307 D309 T656 E667 Y673K307-L669 HydrophobicContact CB-CD2 4.29Å; K307-L669 PolarHBondContact NZ-O 3.48Å; D309-L669 HydrophobicContact CB-CD1 4.14Å; D309-L669 HydrophobicContact CB-CD2 4.07Å; T656-L669 HydrophobicContact CG2-CB 3.97Å; T656-L669 HydrophobicContact CG2-CD1 4.07Å; E667-L669 VanDerWaalsContact C-N 3.32Å; E667-L669 PolarHBondContact O-N 3.12Å; L669-Y673 HydrophobicContact CD1-CD2 4.3Å; L669-Y673 HydrophobicContact CD1-CE2 3.89Å; L669-Y673 HydrophobicContact CG-CD2 4.25Å; L669-Y673 HydrophobicContact CG-CE2 4.01Å; L669-Y673 WeakPolarHBondContact O-CD2 3.36Å; L669-Y673 PolarHBondContact O-N 3.01Å
670M97Very high95.8Very high27 Ų2743.2 Ų43.213%0.13322%0.216CC..Hα-helixtrans-70.2-35.7174.5-66.9-61.1-60.100111.6F302 Y303 K307 E667 P668 Y673 A674F302-M670 HydrophobicContact CD1-CE 4.22Å; F302-M670 HydrophobicContact CE1-CE 3.46Å; F302-M670 VanDerWaalsContact CE1-CE 3.46Å; F302-M670 HydrophobicContact CE1-SD 4.34Å; F302-M670 HydrophobicContact CZ-CE 4.17Å; Y303-M670 HydrophobicContact CD1-CE 3.95Å; Y303-M670 HydrophobicContact CE1-CE 3.83Å; K307-M670 HydrophobicContact CD-SD 4.13Å; K307-M670 WeakPolarHBondContact CE-SD 3.35Å; K307-M670 PolarHBondContact NZ-SD 3.28Å; E667-M670 HydrophobicContact CB-CB 3.8Å; E667-M670 HydrophobicContact CB-CG 3.84Å; E667-M670 WeakPolarHBondContact O-CA 3.25Å; E667-M670 WeakPolarHBondContact O-CB 3.19Å; E667-M670 PolarHBondContact O-N 3.33Å; P668-M670 VanDerWaalsContact C-N 3.29Å; P668-M670 PolarHBondContact O-N 2.97Å; M670-Y673 PolarHBondContact O-N 3.31Å; M670-A674 VanDerWaalsContact O-CB 3.28Å; M670-A674 WeakPolarHBondContact O-CB 3.42Å; M670-A674 PolarHBondContact O-N 3.41Å
671E97.7Very high95.9Very high24 Ų2450.6 Ų50.611%0.11225%0.248CC..Hα-helixtrans-61.3-44.7174.6173.7174.1-163.700112L628 H663 Y664 T665 E667 P668 Y673 A674 I675L628-E671 HydrophobicContact CD1-CG 4.21Å; H663-E671 WeakPolarHBondContact CB-OE2 3.31Å; H663-E671 IonicContact CD2-OE2 3.21Å; H663-E671 IonicContact CG-OE2 3.47Å; Y664-E671 PolarHBondContact N-OE1 2.72Å; Y664-E671 PolarHBondContact N-OE2 3.22Å; Y664-E671 VanDerWaalsContact N-OE2 3.1Å; T665-E671 WeakPolarHBondContact CB-OE2 3.28Å; T665-E671 HydrophobicContact CG2-CB 4.14Å; T665-E671 HydrophobicContact CG2-CG 4.21Å; T665-E671 WeakPolarHBondContact CG2-OE2 3.48Å; T665-E671 PolarHBondContact N-OE2 3.34Å; T665-E671 WeakPolarHBondContact OG1-CB 3.15Å; T665-E671 PolarHBondContact OG1-OE2 2.94Å; E667-E671 PolarHBondContact O-N 3.48Å; P668-E671 WeakPolarHBondContact O-CB 3.49Å; P668-E671 PolarHBondContact O-N 2.88Å; P668-E671 VanDerWaalsContact O-N 3.13Å; E671-Y673 PolarHBondContact O-N 3.4Å; E671-A674 PolarHBondContact O-N 3.48Å; E671-I675 HydrophobicContact CG-CD1 3.74Å; E671-I675 HydrophobicContact CG-CG1 4.48Å; E671-I675 WeakPolarHBondContact O-CB 3.26Å; E671-I675 WeakPolarHBondContact O-CG1 3.21Å; E671-I675 PolarHBondContact O-N 3.46Å
672E98.1Very high96Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-56.2-49.9173.8-82.9-72.7-173.400112.2P627 L628 T656 H663 P668 A674 A676P627-E672 WeakPolarHBondContact CD-OE2 3.25Å; L628-E672 WeakPolarHBondContact CB-OE1 3.37Å; L628-E672 HydrophobicContact CD1-CG 4.04Å; L628-E672 VanDerWaalsContact CG-OE1 3.31Å; L628-E672 WeakPolarHBondContact CG-OE1 3.39Å; L628-E672 PolarHBondContact N-OE1 3.48Å; T656-E672 HydrophobicContact CG2-CG 4.35Å; H663-E672 IonicContact CE1-OE1 2.68Å; H663-E672 VanDerWaalsContact NE2-CG 3.34Å; H663-E672 WeakPolarHBondContact NE2-CG 3.3Å; H663-E672 IonicContact NE2-OE1 3.52Å; P668-E672 PolarHBondContact O-N 2.97Å; P668-E672 VanDerWaalsContact O-N 3.08Å; E672-A674 PolarHBondContact O-N 3.25Å; E672-A676 WeakPolarHBondContact O-CB 3.44Å; E672-A676 PolarHBondContact O-N 2.97Å
673Y98.4Very high96.1Very high2 Ų252.3 Ų52.31%0.00826%0.26CS..Hα-helixtrans-64.7-40.7178.7-82.9-102.9000112.3F302 K307 L654 L669 M670 E671 A677 V687 I690 A691F302-Y673 AromaticContact CE2-CD1 3.36Å; F302-Y673 HydrophobicContact CE2-CD1 3.36Å; F302-Y673 AromaticContact CE2-CE1 3.81Å; F302-Y673 HydrophobicContact CE2-CE1 3.81Å; F302-Y673 HydrophobicContact CE2-CG 4.04Å; F302-Y673 AromaticContact CZ-CD1 3.41Å; F302-Y673 HydrophobicContact CZ-CD1 3.41Å; F302-Y673 VanDerWaalsContact CZ-CD1 3.41Å; F302-Y673 HydrophobicContact CZ-CE1 4.21Å; F302-Y673 AromaticContact CZ-CG 3.59Å; F302-Y673 HydrophobicContact CZ-CG 3.59Å; K307-Y673 HydrophobicContact CD-CE2 4.49Å; L654-Y673 HydrophobicContact CB-CD2 4.05Å; L654-Y673 HydrophobicContact CB-CE2 3.66Å; L654-Y673 HydrophobicContact CD1-CD1 3.89Å; L654-Y673 HydrophobicContact CD1-CD2 3.78Å; L654-Y673 HydrophobicContact CD1-CE1 4.13Å; L654-Y673 HydrophobicContact CD1-CE2 4.06Å; L654-Y673 HydrophobicContact CD1-CG 3.74Å; L669-Y673 HydrophobicContact CD1-CD2 4.3Å; L669-Y673 HydrophobicContact CD1-CE2 3.89Å; L669-Y673 HydrophobicContact CG-CD2 4.25Å; L669-Y673 HydrophobicContact CG-CE2 4.01Å; L669-Y673 WeakPolarHBondContact O-CD2 3.36Å; L669-Y673 PolarHBondContact O-N 3.01Å; M670-Y673 PolarHBondContact O-N 3.31Å; E671-Y673 PolarHBondContact O-N 3.4Å; Y673-A677 WeakPolarHBondContact O-CB 3.41Å; Y673-A677 PolarHBondContact O-N 3.48Å; Y673-V687 HydrophobicContact CD1-CB 4.15Å; Y673-V687 HydrophobicContact CD1-CG1 4.5Å; Y673-V687 WeakPolarHBondContact CE1-O 3.24Å; Y673-I690 HydrophobicContact CE1-CB 4.15Å; Y673-I690 HydrophobicContact CE1-CG2 3.85Å; Y673-A691 HydrophobicContact CE1-CB 4.21Å; Y673-A691 VanDerWaalsContact OH-CA 3.31Å; Y673-A691 WeakPolarHBondContact OH-CA 3.38Å; Y673-A691 PolarHBondContact OH-N 3.03Å
674A97.6Very high96.2Very high54 Ų5455.4 Ų55.445%0.44628%0.279SS..Hα-helixtrans-65-45.5-179.500000111.4M670 E671 E672 Q678M670-A674 VanDerWaalsContact O-CB 3.28Å; M670-A674 WeakPolarHBondContact O-CB 3.42Å; M670-A674 PolarHBondContact O-N 3.41Å; E671-A674 PolarHBondContact O-N 3.48Å; E672-A674 PolarHBondContact O-N 3.25Å; A674-Q678 WeakPolarHBondContact O-CB 3.36Å; A674-Q678 VanDerWaalsContact O-CG 3.25Å; A674-Q678 WeakPolarHBondContact O-CG 3.41Å; A674-Q678 PolarHBondContact O-N 3.01Å
675I97.3Very high96.4Very high50 Ų5048.1 Ų48.126%0.25625%0.251SS..Hα-helixtrans-67.5-46.6179.2-66.9173.9000110.4L628 Y637 E671 A677 Q678 L679L628-I675 HydrophobicContact CD1-CD1 4.01Å; L628-I675 HydrophobicContact CD2-CD1 3.87Å; L628-I675 HydrophobicContact CD2-CG2 4.38Å; Y637-I675 HydrophobicContact CE1-CG2 4.19Å; Y637-I675 HydrophobicContact CE2-CG2 3.96Å; E671-I675 HydrophobicContact CG-CD1 3.74Å; E671-I675 HydrophobicContact CG-CG1 4.48Å; E671-I675 WeakPolarHBondContact O-CB 3.26Å; E671-I675 WeakPolarHBondContact O-CG1 3.21Å; E671-I675 PolarHBondContact O-N 3.46Å; I675-A677 VanDerWaalsContact C-N 3.34Å; I675-A677 PolarHBondContact O-N 3Å; I675-Q678 PolarHBondContact O-N 3.32Å; I675-L679 HydrophobicContact CG2-CD1 3.57Å; I675-L679 HydrophobicContact CG2-CG 4.2Å; I675-L679 WeakPolarHBondContact O-CB 3.47Å; I675-L679 WeakPolarHBondContact O-CG 3.48Å; I675-L679 PolarHBondContact O-N 2.86Å
676A97.6Very high96.6Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-57.3-47.6176.700000111.4Y637 L654 E672 Q678 W680 L682Y637-A676 VanDerWaalsContact OH-CA 3.25Å; Y637-A676 WeakPolarHBondContact OH-CA 3.49Å; Y637-A676 PolarHBondContact OH-N 2.92Å; L654-A676 HydrophobicContact CD1-CB 3.98Å; E672-A676 WeakPolarHBondContact O-CB 3.44Å; E672-A676 PolarHBondContact O-N 2.97Å; A676-Q678 PolarHBondContact O-N 3.39Å; A676-W680 HydrophobicContact CB-CE3 3.7Å; A676-W680 HydrophobicContact CB-CZ3 3.63Å; A676-W680 VanDerWaalsContact O-CB 3.31Å; A676-W680 WeakPolarHBondContact O-CB 3.29Å; A676-W680 PolarHBondContact O-N 2.64Å; A676-L682 HydrophobicContact CB-CD1 4.32Å
677A97.3Very high97Very high21 Ų2139.2 Ų39.217%0.17421%0.208CC..Hα-helixtrans-61.8-42.9179.400000112.5Y673 I675 K681 L682 V687Y673-A677 WeakPolarHBondContact O-CB 3.41Å; Y673-A677 PolarHBondContact O-N 3.48Å; I675-A677 VanDerWaalsContact C-N 3.34Å; I675-A677 PolarHBondContact O-N 3Å; A677-K681 CarbonylContact O-C 3.54Å; A677-K681 WeakPolarHBondContact O-CA 3.44Å; A677-K681 PolarHBondContact O-N 3.25Å; A677-L682 HydrophobicContact CB-CB 4.41Å; A677-L682 PolarHBondContact O-N 3.27Å; A677-L682 VanDerWaalsContact O-N 3.12Å; A677-V687 HydrophobicContact CB-CG1 4Å
678Q96.3Very high97.2Very high133 Ų13335 Ų3562%0.62119%0.189SC*.Hα-helixtrans-74.7-38.7-177.3-68.9-61-22.600113.5A674 I675 A676 K681A674-Q678 WeakPolarHBondContact O-CB 3.36Å; A674-Q678 VanDerWaalsContact O-CG 3.25Å; A674-Q678 WeakPolarHBondContact O-CG 3.41Å; A674-Q678 PolarHBondContact O-N 3.01Å; I675-Q678 PolarHBondContact O-N 3.32Å; A676-Q678 PolarHBondContact O-N 3.39Å; Q678-K681 WeakPolarHBondContact O-CD 3.27Å; Q678-K681 WeakPolarHBondContact O-CE 3.42Å; Q678-K681 PolarHBondContact O-NZ 3.2Å
679L95.8Very high97.3Very high106 Ų10634.8 Ų34.856%0.55519%0.186SC*.Hα-helixtrans-79.5-42.4-178.6-69.5-179.8000112.2Y637 I675Y637-L679 HydrophobicContact CD1-CB 4.47Å; Y637-L679 HydrophobicContact CD1-CD1 3.46Å; Y637-L679 VanDerWaalsContact CD1-CD1 3.46Å; Y637-L679 HydrophobicContact CE1-CB 4.17Å; Y637-L679 HydrophobicContact CE1-CD1 3.56Å; Y637-L679 HydrophobicContact CE1-CG 4.47Å; Y637-L679 HydrophobicContact CG-CD1 4.14Å; I675-L679 HydrophobicContact CG2-CD1 3.57Å; I675-L679 HydrophobicContact CG2-CG 4.2Å; I675-L679 WeakPolarHBondContact O-CB 3.47Å; I675-L679 WeakPolarHBondContact O-CG 3.48Å; I675-L679 PolarHBondContact O-N 2.86Å
680W97Very high97.4Very high14 Ų1434.3 Ų34.35%0.05318%0.183CC..Hα-helixtrans-91.9-1.9-179.5-62.6-30.8000114.4P627 Y637 N640 L642 R643 A676 L682P627-W680 HydrophobicContact CB-CH2 3.87Å; P627-W680 HydrophobicContact CB-CZ2 4.49Å; P627-W680 HydrophobicContact CG-CH2 3.64Å; P627-W680 HydrophobicContact CG-CZ3 4.29Å; Y637-W680 AromaticContact CD1-CZ2 3.91Å; Y637-W680 HydrophobicContact CD1-CZ2 3.91Å; Y637-W680 HydrophobicContact CE1-CD2 4.36Å; Y637-W680 AromaticContact CE1-CE2 3.64Å; Y637-W680 AromaticContact CE1-CH2 3.93Å; Y637-W680 HydrophobicContact CE1-CH2 3.93Å; Y637-W680 AromaticContact CE1-CZ2 3.39Å; Y637-W680 HydrophobicContact CE1-CZ2 3.39Å; Y637-W680 AromaticContact CZ-CZ2 3.94Å; N640-W680 HydrophobicContact CB-CH2 4.41Å; N640-W680 HydrophobicContact CB-CZ2 3.93Å; L642-W680 HydrophobicContact CB-CH2 3.74Å; L642-W680 HydrophobicContact CB-CZ3 3.83Å; L642-W680 HydrophobicContact CD1-CH2 4.21Å; L642-W680 HydrophobicContact CD1-CZ3 3.95Å; L642-W680 HydrophobicContact CD2-CE3 4.23Å; L642-W680 HydrophobicContact CD2-CH2 4.47Å; L642-W680 HydrophobicContact CD2-CZ3 3.67Å; L642-W680 HydrophobicContact CG-CH2 4.36Å; L642-W680 HydrophobicContact CG-CZ3 4.03Å; R643-W680 HydrophobicContact CB-CB 4.25Å; R643-W680 HydrophobicContact CB-CD2 3.99Å; R643-W680 HydrophobicContact CB-CE3 4.29Å; R643-W680 HydrophobicContact CB-CG 3.97Å; R643-W680 HydrophobicContact CG-CB 4.15Å; R643-W680 HydrophobicContact CG-CG 4.37Å; R643-W680 PolarHBondContact NE-O 3.38Å; A676-W680 HydrophobicContact CB-CE3 3.7Å; A676-W680 HydrophobicContact CB-CZ3 3.63Å; A676-W680 VanDerWaalsContact O-CB 3.31Å; A676-W680 WeakPolarHBondContact O-CB 3.29Å; A676-W680 PolarHBondContact O-N 2.64Å; W680-L682 VanDerWaalsContact C-N 3.3Å; W680-L682 HydrophobicContact CB-CD2 4.09Å; W680-L682 HydrophobicContact CB-CG 4.06Å; W680-L682 HydrophobicContact CE3-CD1 4.28Å; W680-L682 PolarHBondContact O-N 3.3Å
681K96Very high97.5Very high154 Ų15433 Ų3367%0.6718%0.177SC*.THydrogen-bonded Turntrans57.842.7-179-52.2-57.5179.7-161.60112.1A677 Q678A677-K681 CarbonylContact O-C 3.54Å; A677-K681 WeakPolarHBondContact O-CA 3.44Å; A677-K681 PolarHBondContact O-N 3.25Å; Q678-K681 WeakPolarHBondContact O-CD 3.27Å; Q678-K681 WeakPolarHBondContact O-CE 3.42Å; Q678-K681 PolarHBondContact O-NZ 3.2Å
682L97Very high97.5Very high17 Ų1733 Ų339%0.08918%0.176CC..  trans-70135.1177.3-56.5-179.7000110.1R643 L646 A676 A677 W680 D686 V687 I690R643-L682 HydrophobicContact CG-CD2 4.35Å; L646-L682 HydrophobicContact CD2-CD2 4.27Å; A676-L682 HydrophobicContact CB-CD1 4.32Å; A677-L682 HydrophobicContact CB-CB 4.41Å; A677-L682 PolarHBondContact O-N 3.27Å; A677-L682 VanDerWaalsContact O-N 3.12Å; W680-L682 VanDerWaalsContact C-N 3.3Å; W680-L682 HydrophobicContact CB-CD2 4.09Å; W680-L682 HydrophobicContact CB-CG 4.06Å; W680-L682 HydrophobicContact CE3-CD1 4.28Å; W680-L682 PolarHBondContact O-N 3.3Å; L682-D686 HydrophobicContact CB-CB 3.93Å; L682-D686 HydrophobicContact CD2-CB 4.33Å; L682-V687 HydrophobicContact CB-CG1 4.05Å; L682-V687 HydrophobicContact CD1-CG1 4.3Å; L682-I690 HydrophobicContact CD1-CD1 3.85Å
683S96.6Very high97.5Very high27 Ų2733.5 Ų33.519%0.18918%0.179CC..  trans-71.6168.5173.5730000111.5C685 D686 V687S683-C685 PolarHBondContact O-N 3.25Å; S683-C685 PolarHBondContact OG-N 2.78Å; S683-D686 VanDerWaalsContact CB-OD2 3.3Å; S683-D686 WeakPolarHBondContact CB-OD2 3.21Å; S683-D686 PolarHBondContact N-OD2 2.88Å; S683-D686 PolarHBondContact O-N 2.9Å; S683-D686 PolarHBondContact OG-N 3.43Å; S683-D686 PolarHBondContact OG-OD1 2.92Å; S683-D686 PolarHBondContact OG-OD2 3.47Å; S683-V687 PolarHBondContact O-N 3.39Å; S683-V687 VanDerWaalsContact O-N 3.17Å
684T95.9Very high97.5Very high65 Ų6533.4 Ų33.440%0.39918%0.178SC..Hα-helixtrans-59.4-35.1171.5-53.60000112L294 V687 C688L294-T684 HydrophobicContact CD1-CG2 4.22Å; T684-V687 VanDerWaalsContact O-CG2 3.27Å; T684-V687 WeakPolarHBondContact O-CG2 3.42Å; T684-C688 WeakPolarHBondContact O-CB 3.47Å; T684-C688 PolarHBondContact O-N 2.98Å; T684-C688 VanDerWaalsContact O-N 3.13Å; T684-C688 PolarHBondContact O-SG 2.92Å
685C97.3Very high97.6Very high4 Ų430.9 Ų30.93%0.02716%0.157CC..Hα-helixtrans-66.4-40.5177.8-1640000111L294 S683 C688 E689L294-C685 HydrophobicContact CD1-CB 3.93Å; S683-C685 PolarHBondContact O-N 3.25Å; S683-C685 PolarHBondContact OG-N 2.78Å; C685-C688 PolarHBondContact O-N 3.48Å; C685-E689 WeakPolarHBondContact O-CB 3.45Å; C685-E689 PolarHBondContact O-N 3.47Å
686D98.4Very high97.5Very high2 Ų230.4 Ų30.41%0.01116%0.155CC..Hα-helixtrans-64-48.7179.8-58.6-35.4000111.7L646 L682 S683 C688 E689 I690 R732L646-D686 HydrophobicContact CD2-CB 4.05Å; L682-D686 HydrophobicContact CB-CB 3.93Å; L682-D686 HydrophobicContact CD2-CB 4.33Å; S683-D686 VanDerWaalsContact CB-OD2 3.3Å; S683-D686 WeakPolarHBondContact CB-OD2 3.21Å; S683-D686 PolarHBondContact N-OD2 2.88Å; S683-D686 PolarHBondContact O-N 2.9Å; S683-D686 PolarHBondContact OG-N 3.43Å; S683-D686 PolarHBondContact OG-OD1 2.92Å; S683-D686 PolarHBondContact OG-OD2 3.47Å; D686-C688 VanDerWaalsContact C-N 3.27Å; D686-C688 PolarHBondContact O-N 3.48Å; D686-E689 WeakPolarHBondContact O-CB 3.48Å; D686-E689 PolarHBondContact O-N 3.41Å; D686-E689 VanDerWaalsContact O-N 3.12Å; D686-I690 WeakPolarHBondContact O-CG1 3.41Å; D686-I690 PolarHBondContact O-N 2.92Å; D686-R732 IonicContact OD1-CZ 4Å; D686-R732 IonicContact OD1-NH1 3.38Å; D686-R732 PolarHBondContact OD1-NH1 2.97Å; D686-R732 IonicContact OD1-NH2 2.75Å; D686-R732 PolarHBondContact OD1-NH2 3.13Å; D686-R732 VanDerWaalsContact OD1-NH2 3.11Å
687V98.2Very high97.5Very high9 Ų930.5 Ų30.56%0.05516%0.155CC..Hα-helixtrans-66-32178.9-62.90000112.1F302 Y673 A677 L682 S683 T684 A691F302-V687 HydrophobicContact CB-CG2 4.4Å; F302-V687 HydrophobicContact CD2-CB 3.96Å; F302-V687 HydrophobicContact CD2-CG2 3.54Å; F302-V687 HydrophobicContact CE2-CB 3.94Å; F302-V687 HydrophobicContact CE2-CG2 4.04Å; F302-V687 HydrophobicContact CG-CG2 4.02Å; Y673-V687 HydrophobicContact CD1-CB 4.15Å; Y673-V687 HydrophobicContact CD1-CG1 4.5Å; Y673-V687 WeakPolarHBondContact CE1-O 3.24Å; A677-V687 HydrophobicContact CB-CG1 4Å; L682-V687 HydrophobicContact CB-CG1 4.05Å; L682-V687 HydrophobicContact CD1-CG1 4.3Å; S683-V687 PolarHBondContact O-N 3.39Å; S683-V687 VanDerWaalsContact O-N 3.17Å; T684-V687 VanDerWaalsContact O-CG2 3.27Å; T684-V687 WeakPolarHBondContact O-CG2 3.42Å; V687-A691 WeakPolarHBondContact O-CB 3.47Å; V687-A691 PolarHBondContact O-N 3.15Å
688C98.3Very high97.5Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-72.4-33.3173.2-65.30000111.9T684 C685 D686 A691 R692 N727 V728T684-C688 WeakPolarHBondContact O-CB 3.47Å; T684-C688 PolarHBondContact O-N 2.98Å; T684-C688 VanDerWaalsContact O-N 3.13Å; T684-C688 PolarHBondContact O-SG 2.92Å; C685-C688 PolarHBondContact O-N 3.48Å; D686-C688 VanDerWaalsContact C-N 3.27Å; D686-C688 PolarHBondContact O-N 3.48Å; C688-A691 PolarHBondContact O-N 2.91Å; C688-R692 WeakPolarHBondContact O-CB 3.38Å; C688-R692 PolarHBondContact O-N 3.22Å; C688-N727 HydrophobicContact CB-CB 4.43Å; C688-N727 VanDerWaalsContact CB-O 3.31Å; C688-N727 WeakPolarHBondContact CB-O 3.33Å; C688-V728 VanDerWaalsContact C-CG2 3.45Å; C688-V728 HydrophobicContact CB-CG2 3.91Å; C688-V728 WeakPolarHBondContact O-CG2 3.42Å
689E98.6Very high97.5Very high12 Ų1223.2 Ų23.26%0.05612%0.118CC..Hα-helixtrans-63.9-46.5173.3-175.3177-179.100110.6L646 C685 D686 A691 R692 N693 V728 R732 R736L646-E689 HydrophobicContact CD1-CG 4.39Å; C685-E689 WeakPolarHBondContact O-CB 3.45Å; C685-E689 PolarHBondContact O-N 3.47Å; D686-E689 WeakPolarHBondContact O-CB 3.48Å; D686-E689 PolarHBondContact O-N 3.41Å; D686-E689 VanDerWaalsContact O-N 3.12Å; E689-A691 PolarHBondContact O-N 3.08Å; E689-R692 PolarHBondContact O-N 3.06Å; E689-N693 WeakPolarHBondContact O-CB 3.41Å; E689-N693 PolarHBondContact O-N 3.41Å; E689-N693 PolarHBondContact O-ND2 2.97Å; E689-N693 PolarHBondContact O-OD1 3.29Å; E689-V728 HydrophobicContact CB-CG1 4.39Å; E689-V728 HydrophobicContact CB-CG2 4.37Å; E689-R732 IonicContact OE2-CZ 3.55Å; E689-R732 IonicContact OE2-NH1 3.34Å; E689-R732 PolarHBondContact OE2-NH1 3.45Å; E689-R736 IonicContact OE1-CZ 2.91Å; E689-R736 IonicContact OE1-NE 2.97Å; E689-R736 PolarHBondContact OE1-NE 3.45Å; E689-R736 IonicContact OE1-NH2 2.96Å; E689-R736 PolarHBondContact OE1-NH2 3.43Å; E689-R736 IonicContact OE2-CZ 3.1Å; E689-R736 IonicContact OE2-NE 3.99Å; E689-R736 IonicContact OE2-NH2 3.15Å; E689-R736 PolarHBondContact OE2-NH2 2.66Å
690I98.8Very high97.5Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-59.7-45.3173.8-63.1168.8000110.7L642 L646 L654 Y673 L682 D686 N693 S694L642-I690 HydrophobicContact CD2-CD1 4.23Å; L646-I690 HydrophobicContact CD1-CG1 4.22Å; L646-I690 HydrophobicContact CD2-CD1 4.07Å; L646-I690 HydrophobicContact CD2-CG1 4.18Å; L654-I690 HydrophobicContact CB-CG2 4.08Å; L654-I690 HydrophobicContact CD1-CD1 4.48Å; L654-I690 HydrophobicContact CD1-CG2 4.14Å; L654-I690 HydrophobicContact CG-CG2 3.93Å; Y673-I690 HydrophobicContact CE1-CB 4.15Å; Y673-I690 HydrophobicContact CE1-CG2 3.85Å; L682-I690 HydrophobicContact CD1-CD1 3.85Å; D686-I690 WeakPolarHBondContact O-CG1 3.41Å; D686-I690 PolarHBondContact O-N 2.92Å; I690-N693 PolarHBondContact O-N 3.01Å; I690-S694 PolarHBondContact O-N 3.3Å
691A98.6Very high97.4Very high0 Ų017.9 Ų17.90%09%0.092CC..Hα-helixtrans-62.8-44.3177.900000112.1V305 K307 Y673 V687 C688 E689 N693 S694 V695V305-A691 HydrophobicContact CG2-CB 4.18Å; K307-A691 HydrophobicContact CB-CB 4.07Å; K307-A691 HydrophobicContact CG-CB 4.48Å; Y673-A691 HydrophobicContact CE1-CB 4.21Å; Y673-A691 VanDerWaalsContact OH-CA 3.31Å; Y673-A691 WeakPolarHBondContact OH-CA 3.38Å; Y673-A691 PolarHBondContact OH-N 3.03Å; V687-A691 WeakPolarHBondContact O-CB 3.47Å; V687-A691 PolarHBondContact O-N 3.15Å; C688-A691 PolarHBondContact O-N 2.91Å; E689-A691 PolarHBondContact O-N 3.08Å; A691-N693 VanDerWaalsContact C-N 3.32Å; A691-N693 PolarHBondContact O-N 3.2Å; A691-S694 WeakPolarHBondContact O-CB 3.4Å; A691-S694 PolarHBondContact O-N 2.85Å; A691-S694 PolarHBondContact O-OG 3.42Å; A691-V695 PolarHBondContact O-N 2.92Å
692R98.3Very high97.4Very high22 Ų2214.8 Ų14.88%0.0838%0.079CC..Hα-helixtrans-57.2-45.7173.5174.6179.5-177.3-77.5-3.1111.3C688 E689 S694 V695 L696 L709 G720 T726 V728C688-R692 WeakPolarHBondContact O-CB 3.38Å; C688-R692 PolarHBondContact O-N 3.22Å; E689-R692 PolarHBondContact O-N 3.06Å; R692-S694 VanDerWaalsContact C-N 3.29Å; R692-S694 PolarHBondContact O-N 3.4Å; R692-V695 PolarHBondContact O-N 3.47Å; R692-L696 VanDerWaalsContact NH1-CD1 3.28Å; R692-L696 PolarHBondContact O-N 3.01Å; R692-L709 HydrophobicContact CG-CD2 3.98Å; R692-G720 PolarHBondContact NH2-O 3.31Å; R692-T726 HydrophobicContact CG-CG2 4.14Å; R692-V728 HydrophobicContact CB-CG2 4.15Å
693N98.6Very high97.2Very high12 Ų1220.3 Ų20.36%0.06411%0.105CC..Hα-helixtrans-63.3-35.7179.1-67.9-12000111.9V652 E689 I690 A691 V695 L696 Q697V652-N693 WeakPolarHBondContact O-CB 3.23Å; V652-N693 PolarHBondContact O-ND2 2.92Å; E689-N693 WeakPolarHBondContact O-CB 3.41Å; E689-N693 PolarHBondContact O-N 3.41Å; E689-N693 PolarHBondContact O-ND2 2.97Å; E689-N693 PolarHBondContact O-OD1 3.29Å; I690-N693 PolarHBondContact O-N 3.01Å; A691-N693 VanDerWaalsContact C-N 3.32Å; A691-N693 PolarHBondContact O-N 3.2Å; N693-V695 PolarHBondContact O-N 3.4Å; N693-L696 WeakPolarHBondContact O-CB 3.34Å; N693-L696 PolarHBondContact O-N 3.46Å; N693-Q697 VanDerWaalsContact O-CB 3.32Å; N693-Q697 WeakPolarHBondContact O-CB 3.2Å; N693-Q697 PolarHBondContact O-N 3.5Å
694S98.7Very high97.2Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-62-42174.579.10000112.7V308 T310 I690 A691 R692 Q697 S698V308-S694 PolarHBondContact N-OG 3.42Å; V308-S694 VanDerWaalsContact O-CB 3.3Å; V308-S694 WeakPolarHBondContact O-CB 3.5Å; T310-S694 WeakPolarHBondContact CG2-O 3.5Å; I690-S694 PolarHBondContact O-N 3.3Å; A691-S694 WeakPolarHBondContact O-CB 3.4Å; A691-S694 PolarHBondContact O-N 2.85Å; A691-S694 PolarHBondContact O-OG 3.42Å; R692-S694 VanDerWaalsContact C-N 3.29Å; R692-S694 PolarHBondContact O-N 3.4Å; S694-Q697 PolarHBondContact O-N 3.26Å; S694-S698 WeakPolarHBondContact O-CB 3.21Å; S694-S698 PolarHBondContact O-N 2.87Å
695V98.4Very high97.2Very high1 Ų117.8 Ų17.81%0.0069%0.085CC..Hα-helixtrans-66.5-42.4176177.30000110.3R306 V308 A691 R692 N693 S698 L700 K705 F708 L709R306-V695 HydrophobicContact CB-CG2 3.98Å; R306-V695 VanDerWaalsContact O-CG2 3.29Å; R306-V695 WeakPolarHBondContact O-CG2 3.43Å; V308-V695 HydrophobicContact CG2-CB 4.42Å; V308-V695 HydrophobicContact CG2-CG2 3.93Å; A691-V695 PolarHBondContact O-N 2.92Å; R692-V695 PolarHBondContact O-N 3.47Å; N693-V695 PolarHBondContact O-N 3.4Å; V695-S698 PolarHBondContact O-N 3.19Å; V695-S698 PolarHBondContact O-OG 2.86Å; V695-L700 HydrophobicContact CG1-CD1 4.24Å; V695-K705 HydrophobicContact CG1-CG 4.37Å; V695-K705 VanDerWaalsContact O-CE 3.29Å; V695-K705 WeakPolarHBondContact O-CE 3.37Å; V695-F708 HydrophobicContact CG1-CB 4.03Å; V695-F708 HydrophobicContact CG1-CD2 4.09Å; V695-L709 HydrophobicContact CB-CD1 4.38Å; V695-L709 HydrophobicContact CB-CD2 3.99Å; V695-L709 HydrophobicContact CB-CG 4.38Å; V695-L709 HydrophobicContact CG1-CD1 3.89Å; V695-L709 HydrophobicContact CG1-CD2 3.89Å; V695-L709 HydrophobicContact CG1-CG 3.78Å
696L96.9Very high97.1Very high40 Ų4021.8 Ų21.821%0.20910%0.102CC..Hα-helixtrans-56.5-56.2173.4-75.7174.4000109.4R165 R692 N693 S698 K705 L709 Y713R165-L696 PolarHBondContact NH1-O 3.44Å; R692-L696 VanDerWaalsContact NH1-CD1 3.28Å; R692-L696 PolarHBondContact O-N 3.01Å; N693-L696 WeakPolarHBondContact O-CB 3.34Å; N693-L696 PolarHBondContact O-N 3.46Å; L696-S698 VanDerWaalsContact C-N 3.3Å; L696-S698 PolarHBondContact O-N 3.33Å; L696-K705 PolarHBondContact O-NZ 3.41Å; L696-L709 HydrophobicContact CD2-CD1 3.43Å; L696-L709 VanDerWaalsContact CD2-CD1 3.43Å; L696-L709 HydrophobicContact CG-CD1 3.74Å; L696-Y713 HydrophobicContact CD2-CD2 4.06Å
697Q96.9Very high97Very high1 Ų126.3 Ų26.31%0.00512%0.123CC..Hα-helixtrans-58.3-34.2-177.4-179.2172.27.900114.3R165 T310 N599 P622 S653 N693 S694R165-Q697 PolarHBondContact NH2-O 2.89Å; T310-Q697 HydrophobicContact CG2-CB 4.19Å; T310-Q697 HydrophobicContact CG2-CG 4.14Å; N599-Q697 HydrophobicContact CB-CG 4.37Å; N599-Q697 PolarHBondContact OD1-NE2 3.39Å; P622-Q697 HydrophobicContact CB-CB 3.86Å; P622-Q697 HydrophobicContact CB-CG 3.69Å; P622-Q697 HydrophobicContact CG-CB 4.44Å; P622-Q697 HydrophobicContact CG-CG 4.49Å; S653-Q697 PolarHBondContact OG-OE1 3.16Å; N693-Q697 VanDerWaalsContact O-CB 3.32Å; N693-Q697 WeakPolarHBondContact O-CB 3.2Å; N693-Q697 PolarHBondContact O-N 3.5Å; S694-Q697 PolarHBondContact O-N 3.26Å
698S97.1Very high96.9Very high0 Ų026.5 Ų26.50%012%0.123CC..SBendtrans-59.7163.8-17571.90000115.5E431 S694 V695 L696 L700 K705E431-S698 VanDerWaalsContact OE2-CA 3.28Å; E431-S698 WeakPolarHBondContact OE2-CA 3.49Å; S694-S698 WeakPolarHBondContact O-CB 3.21Å; S694-S698 PolarHBondContact O-N 2.87Å; V695-S698 PolarHBondContact O-N 3.19Å; V695-S698 PolarHBondContact O-OG 2.86Å; L696-S698 VanDerWaalsContact C-N 3.3Å; L696-S698 PolarHBondContact O-N 3.33Å; S698-L700 PolarHBondContact O-N 3.43Å; S698-L700 WeakPolarHBondContact OG-CD1 3.48Å; S698-L700 VanDerWaalsContact OG-CG 3.31Å; S698-L700 WeakPolarHBondContact OG-CG 2.87Å; S698-L700 PolarHBondContact OG-N 3.19Å; S698-K705 WeakPolarHBondContact O-CE 3.24Å; S698-K705 PolarHBondContact O-NZ 3.15Å
699G95.9Very high96.8Very high1 Ų126.7 Ų26.71%0.0112%0.124CC..  trans-82.921.2170.600000115.5M192 E431M192-G699 WeakPolarHBondContact CG-O 3.23Å; E431-G699 VanDerWaalsContact CD-N 3.32Å; E431-G699 VanDerWaalsContact OE1-CA 3.22Å; E431-G699 WeakPolarHBondContact OE1-CA 3.33Å; E431-G699 PolarHBondContact OE1-N 3.34Å; E431-G699 PolarHBondContact OE2-N 3.35Å
700L95.9Very high96.7Very high6 Ų626.3 Ų26.33%0.03112%0.124CC..  trans-64.8150.2173.8-67.7171.8000111.7V308 Y429 R462 V695 S698 E704 K705 F708V308-L700 HydrophobicContact CG2-CD1 3.91Å; Y429-L700 HydrophobicContact CD1-CD2 4.29Å; R462-L700 HydrophobicContact CG-CD2 4.48Å; V695-L700 HydrophobicContact CG1-CD1 4.24Å; S698-L700 PolarHBondContact O-N 3.43Å; S698-L700 WeakPolarHBondContact OG-CD1 3.48Å; S698-L700 VanDerWaalsContact OG-CG 3.31Å; S698-L700 WeakPolarHBondContact OG-CG 2.87Å; S698-L700 PolarHBondContact OG-N 3.19Å; L700-E704 HydrophobicContact CB-CB 4.16Å; L700-K705 HydrophobicContact CB-CG 4.1Å; L700-K705 WeakPolarHBondContact O-CE 3.48Å; L700-F708 HydrophobicContact CD1-CD2 3.74Å; L700-F708 HydrophobicContact CD1-CE2 3.6Å
701S95.4Very high96.6Very high3 Ų331.2 Ų31.22%0.02115%0.153CC..  trans-66.2159.3178.6690000113Q703 E704 K705S701-Q703 PolarHBondContact O-N 3.08Å; S701-E704 VanDerWaalsContact CB-OE2 3.24Å; S701-E704 WeakPolarHBondContact CB-OE2 3.47Å; S701-E704 PolarHBondContact N-OE2 3.01Å; S701-E704 PolarHBondContact O-N 3.36Å; S701-E704 VanDerWaalsContact O-N 3.14Å; S701-E704 VanDerWaalsContact OG-CG 3.29Å; S701-E704 WeakPolarHBondContact OG-CG 3.44Å; S701-E704 PolarHBondContact OG-N 3.22Å; S701-E704 PolarHBondContact OG-OE2 3Å; S701-K705 PolarHBondContact O-N 3.34Å
702H94.6Very high96.4Very high88 Ų8835.3 Ų35.341%0.40718%0.175SC..Hα-helixtrans-53.3-40.9174.5174.771.4000111.8K705 K706 Y713H702-K705 PolarHBondContact O-N 3.23Å; H702-K706 WeakPolarHBondContact O-CB 3.3Å; H702-K706 PolarHBondContact O-N 3.33Å; H702-Y713 AromaticContact CE1-CE1 3.6Å; H702-Y713 AromaticContact ND1-CE1 3.55Å; H702-Y713 AromaticContact ND1-CZ 3.54Å; H702-Y713 PolarHBondContact ND1-OH 3.38Å
703Q94.4Very high96.3Very high133 Ų13335.1 Ų35.162%0.62118%0.175SC*.Hα-helixtrans-65.4-42.1179.8-63.7-178.9-1.900111.9S701 K706 H707S701-Q703 PolarHBondContact O-N 3.08Å; Q703-K706 PolarHBondContact O-N 3.39Å; Q703-H707 PolarHBondContact O-N 2.96Å
704E95.3Very high96.1Very high23 Ų2336.8 Ų36.811%0.10718%0.183CC..Hα-helixtrans-65.1-47.9176.1-71165.6120.100111.1R462 L700 S701 K706 H707 F708R462-E704 IonicContact CZ-OE1 3.74Å; R462-E704 IonicContact NH2-OE1 3.9Å; R462-E704 PolarHBondContact NH2-OE1 3.22Å; R462-E704 IonicContact NH2-OE2 3.67Å; R462-E704 PolarHBondContact NH2-OE2 3.45Å; L700-E704 HydrophobicContact CB-CB 4.16Å; S701-E704 VanDerWaalsContact CB-OE2 3.24Å; S701-E704 WeakPolarHBondContact CB-OE2 3.47Å; S701-E704 PolarHBondContact N-OE2 3.01Å; S701-E704 PolarHBondContact O-N 3.36Å; S701-E704 VanDerWaalsContact O-N 3.14Å; S701-E704 VanDerWaalsContact OG-CG 3.29Å; S701-E704 WeakPolarHBondContact OG-CG 3.44Å; S701-E704 PolarHBondContact OG-N 3.22Å; S701-E704 PolarHBondContact OG-OE2 3Å; E704-K706 VanDerWaalsContact C-N 3.32Å; E704-K706 PolarHBondContact O-N 3.39Å; E704-H707 CarbonylContact O-C 3.56Å; E704-H707 WeakPolarHBondContact O-CA 3.35Å; E704-H707 WeakPolarHBondContact O-CB 3.17Å; E704-H707 PolarHBondContact O-N 3.49Å; E704-F708 HydrophobicContact CB-CE2 4.24Å; E704-F708 HydrophobicContact CB-CZ 4.46Å; E704-F708 WeakPolarHBondContact O-CB 3.5Å; E704-F708 VanDerWaalsContact O-CG 3.24Å; E704-F708 WeakPolarHBondContact O-CG 3.49Å; E704-F708 PolarHBondContact O-N 3.29Å
705K96.6Very high95.8Very high16 Ų1640.6 Ų40.67%0.0720%0.2CC..Hα-helixtrans-60.8-41177-69.5-177.3-177.5-178.30111.9V695 L696 S698 L700 S701 H702 H707 F708 L709 Y713V695-K705 HydrophobicContact CG1-CG 4.37Å; V695-K705 VanDerWaalsContact O-CE 3.29Å; V695-K705 WeakPolarHBondContact O-CE 3.37Å; L696-K705 PolarHBondContact O-NZ 3.41Å; S698-K705 WeakPolarHBondContact O-CE 3.24Å; S698-K705 PolarHBondContact O-NZ 3.15Å; L700-K705 HydrophobicContact CB-CG 4.1Å; L700-K705 WeakPolarHBondContact O-CE 3.48Å; S701-K705 PolarHBondContact O-N 3.34Å; H702-K705 PolarHBondContact O-N 3.23Å; K705-H707 VanDerWaalsContact C-N 3.29Å; K705-H707 PolarHBondContact O-N 2.96Å; K705-F708 PolarHBondContact O-N 3.4Å; K705-L709 WeakPolarHBondContact O-CB 3.45Å; K705-L709 PolarHBondContact O-N 2.82Å; K705-Y713 HydrophobicContact CB-CD1 4.45Å; K705-Y713 HydrophobicContact CB-CD2 4.27Å; K705-Y713 HydrophobicContact CB-CE1 3.96Å; K705-Y713 HydrophobicContact CB-CE2 3.78Å; K705-Y713 HydrophobicContact CD-CE2 4.13Å
706K96.3Very high95.5Very high89 Ų8943 Ų4339%0.38721%0.212SC..Hα-helixtrans-60.1-39.1173.4-168.4177.3-179.6172.60112.2H702 Q703 E704 G710 V711 Y713H702-K706 WeakPolarHBondContact O-CB 3.3Å; H702-K706 PolarHBondContact O-N 3.33Å; Q703-K706 PolarHBondContact O-N 3.39Å; E704-K706 VanDerWaalsContact C-N 3.32Å; E704-K706 PolarHBondContact O-N 3.39Å; K706-G710 CarbonylContact O-C 3.51Å; K706-G710 VanDerWaalsContact O-CA 3.32Å; K706-G710 WeakPolarHBondContact O-CA 2.7Å; K706-G710 PolarHBondContact O-N 2.95Å; K706-G710 VanDerWaalsContact O-N 3.12Å; K706-V711 VanDerWaalsContact CE-CG1 3.45Å; K706-V711 HydrophobicContact CG-CG1 4.41Å; K706-Y713 HydrophobicContact CB-CD1 4.17Å; K706-Y713 HydrophobicContact CB-CE1 4.03Å
707H95.3Very high95.4Very high97 Ų9741.5 Ų41.545%0.44921%0.206SC..Hα-helixtrans-71.8-35.7176-174.979.6000113Q703 E704 K705 R725Q703-H707 PolarHBondContact O-N 2.96Å; E704-H707 CarbonylContact O-C 3.56Å; E704-H707 WeakPolarHBondContact O-CA 3.35Å; E704-H707 WeakPolarHBondContact O-CB 3.17Å; E704-H707 PolarHBondContact O-N 3.49Å; K705-H707 VanDerWaalsContact C-N 3.29Å; K705-H707 PolarHBondContact O-N 2.96Å; H707-R725 WeakPolarHBondContact O-CD 3.43Å; H707-R725 PolarHBondContact O-NH1 2.98Å
708F96.2Very high95.3Very high13 Ų1342.4 Ų42.46%0.05721%0.211CC..Hα-helixtrans-86.3-30.6-174.8-64.2-13.5000114.4R306 Y429 V695 L700 E704 K705 R725R306-F708 HydrophobicContact CB-CB 4.36Å; R306-F708 HydrophobicContact CB-CD2 4.2Å; R306-F708 HydrophobicContact CB-CG 4.17Å; R306-F708 HydrophobicContact CG-CB 4.33Å; R306-F708 HydrophobicContact CG-CD1 3.8Å; R306-F708 HydrophobicContact CG-CD2 4.07Å; R306-F708 HydrophobicContact CG-CE1 4.14Å; R306-F708 HydrophobicContact CG-CE2 4.36Å; R306-F708 HydrophobicContact CG-CG 3.81Å; R306-F708 HydrophobicContact CG-CZ 4.43Å; Y429-F708 HydrophobicContact CE1-CE2 4.06Å; Y429-F708 AromaticContact CE1-CZ 3.92Å; Y429-F708 HydrophobicContact CE1-CZ 3.92Å; Y429-F708 HydrophobicContact CE2-CE2 4.05Å; Y429-F708 AromaticContact CE2-CZ 3.97Å; Y429-F708 HydrophobicContact CE2-CZ 3.97Å; Y429-F708 AromaticContact CZ-CE2 3.8Å; Y429-F708 AromaticContact CZ-CZ 3.44Å; Y429-F708 VanDerWaalsContact CZ-CZ 3.44Å; Y429-F708 VanDerWaalsContact OH-CZ 3.23Å; Y429-F708 WeakPolarHBondContact OH-CZ 3.49Å; V695-F708 HydrophobicContact CG1-CB 4.03Å; V695-F708 HydrophobicContact CG1-CD2 4.09Å; L700-F708 HydrophobicContact CD1-CD2 3.74Å; L700-F708 HydrophobicContact CD1-CE2 3.6Å; E704-F708 HydrophobicContact CB-CE2 4.24Å; E704-F708 HydrophobicContact CB-CZ 4.46Å; E704-F708 WeakPolarHBondContact O-CB 3.5Å; E704-F708 VanDerWaalsContact O-CG 3.24Å; E704-F708 WeakPolarHBondContact O-CG 3.49Å; E704-F708 PolarHBondContact O-N 3.29Å; K705-F708 PolarHBondContact O-N 3.4Å; F708-R725 WeakPolarHBondContact O-CB 3.45Å
709L96.9Very high95.1Very high3 Ų346 Ų462%0.01623%0.227CC..Hα-helixtrans-113.3-23.2-173.7-58.8-178.3000113.2R692 V695 L696 K705 Y713 D722 T726R692-L709 HydrophobicContact CG-CD2 3.98Å; V695-L709 HydrophobicContact CB-CD1 4.38Å; V695-L709 HydrophobicContact CB-CD2 3.99Å; V695-L709 HydrophobicContact CB-CG 4.38Å; V695-L709 HydrophobicContact CG1-CD1 3.89Å; V695-L709 HydrophobicContact CG1-CD2 3.89Å; V695-L709 HydrophobicContact CG1-CG 3.78Å; L696-L709 HydrophobicContact CD2-CD1 3.43Å; L696-L709 VanDerWaalsContact CD2-CD1 3.43Å; L696-L709 HydrophobicContact CG-CD1 3.74Å; K705-L709 WeakPolarHBondContact O-CB 3.45Å; K705-L709 PolarHBondContact O-N 2.82Å; L709-Y713 HydrophobicContact CB-CG 4.26Å; L709-Y713 HydrophobicContact CD1-CD2 4.07Å; L709-Y713 HydrophobicContact CD1-CG 4.37Å; L709-D722 WeakPolarHBondContact O-CB 3.35Å; L709-D722 PolarHBondContact O-N 2.81Å; L709-T726 HydrophobicContact CB-CG2 4.47Å; L709-T726 HydrophobicContact CD2-CG2 3.86Å
710G96.2Very high95.1Very high5 Ų546 Ų465%0.05223%0.227CC..  trans121.1163-178.100000113.2K706 N712 Y713K706-G710 CarbonylContact O-C 3.51Å; K706-G710 VanDerWaalsContact O-CA 3.32Å; K706-G710 WeakPolarHBondContact O-CA 2.7Å; K706-G710 PolarHBondContact O-N 2.95Å; K706-G710 VanDerWaalsContact O-N 3.12Å; G710-N712 PolarHBondContact O-N 3.38Å; G710-Y713 WeakPolarHBondContact O-CB 3.21Å; G710-Y713 WeakPolarHBondContact O-CD1 3.41Å; G710-Y713 PolarHBondContact O-N 3.43Å
711V96Very high95.1Very high102 Ų10246.1 Ų46.162%0.61823%0.228SC*.THydrogen-bonded Turntrans-57.1-32.2-177.9-95.80000113.8K706K706-V711 VanDerWaalsContact CE-CG1 3.45Å; K706-V711 HydrophobicContact CG-CG1 4.41Å
712N95.4Very high95.1Very high86 Ų8648.3 Ų48.346%0.4624%0.24SC..THydrogen-bonded Turntrans-103.316.5-173.6-65.2-23.3000113.2G710 L714 K715 E719 G720G710-N712 PolarHBondContact O-N 3.38Å; N712-L714 PolarHBondContact O-N 2.98Å; N712-K715 HydrophobicContact CB-CD 4.37Å; N712-K715 WeakPolarHBondContact O-CB 3.49Å; N712-K715 PolarHBondContact O-N 3.24Å; N712-E719 WeakPolarHBondContact CB-O 3.48Å; N712-G720 WeakPolarHBondContact O-CA 3.32Å
713Y95.6Very high95.1Very high19 Ų1944.9 Ų44.98%0.07522%0.224CC..THydrogen-bonded Turntrans-58.2-17.3-169.584.3-87.2000115.9L696 H702 K705 K706 L709 G710 K715 G720L696-Y713 HydrophobicContact CD2-CD2 4.06Å; H702-Y713 AromaticContact CE1-CE1 3.6Å; H702-Y713 AromaticContact ND1-CE1 3.55Å; H702-Y713 AromaticContact ND1-CZ 3.54Å; H702-Y713 PolarHBondContact ND1-OH 3.38Å; K705-Y713 HydrophobicContact CB-CD1 4.45Å; K705-Y713 HydrophobicContact CB-CD2 4.27Å; K705-Y713 HydrophobicContact CB-CE1 3.96Å; K705-Y713 HydrophobicContact CB-CE2 3.78Å; K705-Y713 HydrophobicContact CD-CE2 4.13Å; K706-Y713 HydrophobicContact CB-CD1 4.17Å; K706-Y713 HydrophobicContact CB-CE1 4.03Å; L709-Y713 HydrophobicContact CB-CG 4.26Å; L709-Y713 HydrophobicContact CD1-CD2 4.07Å; L709-Y713 HydrophobicContact CD1-CG 4.37Å; G710-Y713 WeakPolarHBondContact O-CB 3.21Å; G710-Y713 WeakPolarHBondContact O-CD1 3.41Å; G710-Y713 PolarHBondContact O-N 3.43Å; Y713-K715 VanDerWaalsContact C-N 3.34Å; Y713-G720 WeakPolarHBondContact CA-O 3.42Å
714L93.4Very high95.2Very high46 Ų4646.8 Ų46.824%0.24123%0.226CC..THydrogen-bonded Turntrans-77.9-16.7174.7-66.4177.4000113.5R168 L189 N712R168-L714 PolarHBondContact NE-O 3.01Å; L189-L714 HydrophobicContact CD1-CD1 3.98Å; L189-L714 HydrophobicContact CD1-CD2 3.65Å; L189-L714 HydrophobicContact CD1-CG 4.5Å; L189-L714 HydrophobicContact CD2-CD2 4.37Å; N712-L714 PolarHBondContact O-N 2.98Å
715K93.4Very high95.2Very high80 Ų8049.1 Ų49.135%0.34823%0.234SC..SBendtrans-71.8149.6167.9-66.7-171.8167.3-163.80109N712 Y713 E719 G720N712-K715 HydrophobicContact CB-CD 4.37Å; N712-K715 WeakPolarHBondContact O-CB 3.49Å; N712-K715 PolarHBondContact O-N 3.24Å; Y713-K715 VanDerWaalsContact C-N 3.34Å; K715-E719 HydrophobicContact CB-CB 4.39Å; K715-E719 HydrophobicContact CD-CB 3.87Å; K715-E719 WeakPolarHBondContact CD-OE2 3.31Å; K715-E719 IonicContact NZ-OE2 3.58Å; K715-E719 PolarHBondContact NZ-OE2 3.41Å; K715-G720 VanDerWaalsContact O-CA 3.25Å; K715-G720 WeakPolarHBondContact O-CA 3.41Å
716D92.2Very high95.2Very high52 Ų5248.6 Ų48.628%0.27823%0.232SC..  trans-87.8161.1171.4-69.2-40.2000110.9T169 Y737T169-D716 WeakPolarHBondContact CB-OD2 3.4Å; T169-D716 PolarHBondContact N-OD2 2.56Å; T169-D716 WeakPolarHBondContact OG1-CB 2.84Å; T169-D716 VanDerWaalsContact OG1-CG 3.24Å; T169-D716 PolarHBondContact OG1-OD2 2.96Å; D716-Y737 HydrophobicContact CB-CD2 3.85Å; D716-Y737 HydrophobicContact CB-CE2 3.74Å
717G94.4Very high95.2Very high8 Ų844.5 Ų44.58%0.08221%0.214CC..SBendtrans68.4-156.617900000115.6E719 G720 Y737G717-E719 VanDerWaalsContact C-N 3.28Å; G717-E719 PolarHBondContact O-N 3.15Å; G717-G720 PolarHBondContact O-N 3.41Å; G717-G720 VanDerWaalsContact O-N 3.11Å; G717-Y737 VanDerWaalsContact CA-CB 3.43Å
718H94.3Very high95.3Very high21 Ų2139.9 Ų39.910%0.09719%0.192CC..G310 helixtrans-64.6-30.4-173.465.9-84.3000112.7G720 N721 Q730 M733 A734H718-G720 PolarHBondContact O-N 2.91Å; H718-N721 PolarHBondContact O-N 3.48Å; H718-Q730 PolarHBondContact O-OE1 3.4Å; H718-Q730 VanDerWaalsContact O-OE1 3.12Å; H718-M733 HydrophobicContact CB-CB 4.16Å; H718-A734 HydrophobicContact CB-CB 4.19Å
719E94Very high95.4Very high74 Ų7439.2 Ų39.235%0.34619%0.19SC..G310 helixtrans-65-27.4175-62.6-163.2169.800113.2N712 K715 G717 N721N712-E719 WeakPolarHBondContact CB-O 3.48Å; K715-E719 HydrophobicContact CB-CB 4.39Å; K715-E719 HydrophobicContact CD-CB 3.87Å; K715-E719 WeakPolarHBondContact CD-OE2 3.31Å; K715-E719 IonicContact NZ-OE2 3.58Å; K715-E719 PolarHBondContact NZ-OE2 3.41Å; G717-E719 VanDerWaalsContact C-N 3.28Å; G717-E719 PolarHBondContact O-N 3.15Å; E719-N721 VanDerWaalsContact C-N 3.32Å
720G94.8Very high95.4Very high1 Ų140.9 Ų40.91%0.0120%0.197CC..G310 helixtrans-89.37.6178.300000115R692 N712 Y713 K715 G717 H718R692-G720 PolarHBondContact NH2-O 3.31Å; N712-G720 WeakPolarHBondContact O-CA 3.32Å; Y713-G720 WeakPolarHBondContact CA-O 3.42Å; K715-G720 VanDerWaalsContact O-CA 3.25Å; K715-G720 WeakPolarHBondContact O-CA 3.41Å; G717-G720 PolarHBondContact O-N 3.41Å; G717-G720 VanDerWaalsContact O-N 3.11Å; H718-G720 PolarHBondContact O-N 2.91Å
721N95.7Very high95.4Very high9 Ų940.9 Ų40.95%0.04820%0.196CC..  trans-120.8124.5-176.8178.559.7000110.2H718 E719 T726 V728 Q730 M733H718-N721 PolarHBondContact O-N 3.48Å; E719-N721 VanDerWaalsContact C-N 3.32Å; N721-T726 WeakPolarHBondContact OD1-CB 3.49Å; N721-T726 WeakPolarHBondContact OD1-CG2 3.49Å; N721-T726 PolarHBondContact OD1-OG1 2.89Å; N721-V728 PolarHBondContact ND2-O 2.94Å; N721-Q730 PolarHBondContact ND2-NE2 3.12Å; N721-Q730 PolarHBondContact ND2-OE1 3.23Å; N721-Q730 PolarHBondContact O-NE2 2.93Å; N721-M733 HydrophobicContact CB-CB 4.32Å; N721-M733 HydrophobicContact CB-CE 4.45Å; N721-M733 HydrophobicContact CB-CG 3.72Å
722D95.8Very high95.5Very high49 Ų4936.1 Ų36.126%0.26217%0.167SC..  trans-101.5101.3164.3-176.4-4.7000108.8L709 R724 R725 T726L709-D722 WeakPolarHBondContact O-CB 3.35Å; L709-D722 PolarHBondContact O-N 2.81Å; D722-R724 PolarHBondContact O-N 3.16Å; D722-R724 VanDerWaalsContact OD1-CB 3.25Å; D722-R724 WeakPolarHBondContact OD1-CB 2.91Å; D722-R724 PolarHBondContact OD1-N 3.32Å; D722-R725 HydrophobicContact CB-CB 4.19Å; D722-R725 HydrophobicContact CB-CG 3.93Å; D722-R725 WeakPolarHBondContact O-CA 3.3Å; D722-R725 WeakPolarHBondContact O-CB 3.13Å; D722-R725 PolarHBondContact O-N 3.03Å; D722-R725 WeakPolarHBondContact OD2-CG 3.36Å; D722-T726 PolarHBondContact O-N 3.11Å; D722-T726 PolarHBondContact O-OG1 3.06Å
723I95.4Very high95.6Very high17 Ų1732.6 Ų32.69%0.08715%0.148CC..Hα-helixtrans-55-26.5178.1-167176.9000112.6E293 L294 I297 R725 N727 V728E293-I723 HydrophobicContact CB-CD1 4.1Å; L294-I723 HydrophobicContact CD2-CD1 4.19Å; L294-I723 HydrophobicContact CD2-CG1 4.47Å; I297-I723 HydrophobicContact CD1-CD1 4.26Å; I297-I723 HydrophobicContact CD1-CG1 4.47Å; I297-I723 HydrophobicContact CD1-CG2 3.71Å; I297-I723 HydrophobicContact CG1-CD1 3.8Å; I297-I723 HydrophobicContact CG1-CG1 3.89Å; I297-I723 HydrophobicContact CG1-CG2 4.04Å; I723-R725 PolarHBondContact O-N 2.68Å; I723-N727 WeakPolarHBondContact O-CA 3.45Å; I723-N727 PolarHBondContact O-N 2.94Å; I723-V728 WeakPolarHBondContact CG1-O 3.3Å
724R95.2Very high95.7Very high172 Ų17231.7 Ų31.765%0.64914%0.144SC*.Hα-helixtrans-73.9-2.7176-54171.5178.4167.90.3112.9I297 R300 D722I297-R724 HydrophobicContact CG2-CB 4.47Å; I297-R724 HydrophobicContact CG2-CG 4.24Å; R300-R724 WeakPolarHBondContact CD-O 3.17Å; R300-R724 WeakPolarHBondContact CG-O 3.14Å; R300-R724 PolarHBondContact NE-O 2.94Å; R300-R724 PolarHBondContact NH2-O 2.75Å; D722-R724 PolarHBondContact O-N 3.16Å; D722-R724 VanDerWaalsContact OD1-CB 3.25Å; D722-R724 WeakPolarHBondContact OD1-CB 2.91Å; D722-R724 PolarHBondContact OD1-N 3.32Å
725R95.7Very high95.9Very high73 Ų7330 Ų3028%0.27514%0.135SC..Hα-helixtrans-119.6-44.6179.7-63.1-71.5-178.4164.7-6.1111.2H707 F708 D722 I723H707-R725 WeakPolarHBondContact O-CD 3.43Å; H707-R725 PolarHBondContact O-NH1 2.98Å; F708-R725 WeakPolarHBondContact O-CB 3.45Å; D722-R725 HydrophobicContact CB-CB 4.19Å; D722-R725 HydrophobicContact CB-CG 3.93Å; D722-R725 WeakPolarHBondContact O-CA 3.3Å; D722-R725 WeakPolarHBondContact O-CB 3.13Å; D722-R725 PolarHBondContact O-N 3.03Å; D722-R725 WeakPolarHBondContact OD2-CG 3.36Å; I723-R725 PolarHBondContact O-N 2.68Å
726T96.4Very high96.1Very high4 Ų427.6 Ų27.63%0.02512%0.124CC..Hα-helixtrans-95.7-21.7-173.162.40000113.7V305 R692 L709 N721 D722 V728V305-T726 VanDerWaalsContact CG1-C 3.47Å; V305-T726 WeakPolarHBondContact CG1-O 3.43Å; R692-T726 HydrophobicContact CG-CG2 4.14Å; L709-T726 HydrophobicContact CB-CG2 4.47Å; L709-T726 HydrophobicContact CD2-CG2 3.86Å; N721-T726 WeakPolarHBondContact OD1-CB 3.49Å; N721-T726 WeakPolarHBondContact OD1-CG2 3.49Å; N721-T726 PolarHBondContact OD1-OG1 2.89Å; D722-T726 PolarHBondContact O-N 3.11Å; D722-T726 PolarHBondContact O-OG1 3.06Å; T726-V728 PolarHBondContact O-N 3.13Å; T726-V728 VanDerWaalsContact O-N 3.14Å; T726-V728 PolarHBondContact OG1-N 3.1Å
727N97.1Very high96.4Very high3 Ų328.6 Ų28.62%0.01612%0.124CC..  trans49.831.7-169.6-157.851.7000113.5L294 R300 D301 V305 C688 I723L294-N727 WeakPolarHBondContact CD2-O 3.28Å; R300-N727 HydrophobicContact CB-CB 4.27Å; D301-N727 WeakPolarHBondContact CA-ND2 3.19Å; V305-N727 HydrophobicContact CG1-CB 3.46Å; V305-N727 VanDerWaalsContact CG1-CB 3.46Å; C688-N727 HydrophobicContact CB-CB 4.43Å; C688-N727 VanDerWaalsContact CB-O 3.31Å; C688-N727 WeakPolarHBondContact CB-O 3.33Å; I723-N727 WeakPolarHBondContact O-CA 3.45Å; I723-N727 PolarHBondContact O-N 2.94Å
728V97.5Very high96.5Very high0 Ų030.7 Ų30.70%013%0.132CC..  trans-101.5125.9170.1-176.20000107.7C688 E689 R692 N721 I723 T726 R732 M733C688-V728 VanDerWaalsContact C-CG2 3.45Å; C688-V728 HydrophobicContact CB-CG2 3.91Å; C688-V728 WeakPolarHBondContact O-CG2 3.42Å; E689-V728 HydrophobicContact CB-CG1 4.39Å; E689-V728 HydrophobicContact CB-CG2 4.37Å; R692-V728 HydrophobicContact CB-CG2 4.15Å; N721-V728 PolarHBondContact ND2-O 2.94Å; I723-V728 WeakPolarHBondContact CG1-O 3.3Å; T726-V728 PolarHBondContact O-N 3.13Å; T726-V728 VanDerWaalsContact O-N 3.14Å; T726-V728 PolarHBondContact OG1-N 3.1Å; V728-R732 HydrophobicContact CG1-CB 4.15Å; V728-R732 HydrophobicContact CG1-CG 4.06Å; V728-M733 HydrophobicContact CG1-CG 3.94Å; V728-M733 HydrophobicContact CG1-SD 3.82Å
729A97.3Very high96.6Very high0 Ų029.9 Ų29.90%013%0.128CC..  trans-54.4141-179.100000110.9E290 E293 L294 I731 R732 M733E290-A729 HydrophobicContact CB-CB 3.81Å; E290-A729 HydrophobicContact CG-CB 3.9Å; E293-A729 HydrophobicContact CB-CB 4.48Å; E293-A729 WeakPolarHBondContact OE2-CB 3.31Å; L294-A729 HydrophobicContact CD2-CB 4.24Å; A729-I731 PolarHBondContact O-N 3.14Å; A729-R732 HydrophobicContact CB-CB 4.22Å; A729-R732 WeakPolarHBondContact O-CB 3.49Å; A729-R732 PolarHBondContact O-N 3.11Å; A729-M733 PolarHBondContact O-N 2.87Å
730Q96.9Very high96.8Very high38 Ų3826.9 Ų26.918%0.17811%0.114CC..Hα-helixtrans-66.5-34.7176.6-65.9-63.38.300110.6P121 E293 H718 N721 R732 M733 A734P121-Q730 HydrophobicContact CB-CB 4.27Å; P121-Q730 HydrophobicContact CG-CB 4.02Å; E293-Q730 PolarHBondContact OE2-N 3.11Å; H718-Q730 PolarHBondContact O-OE1 3.4Å; H718-Q730 VanDerWaalsContact O-OE1 3.12Å; N721-Q730 PolarHBondContact ND2-NE2 3.12Å; N721-Q730 PolarHBondContact ND2-OE1 3.23Å; N721-Q730 PolarHBondContact O-NE2 2.93Å; Q730-R732 VanDerWaalsContact C-N 3.28Å; Q730-R732 PolarHBondContact O-N 3.24Å; Q730-M733 PolarHBondContact O-N 3.16Å; Q730-A734 WeakPolarHBondContact O-CB 3.5Å; Q730-A734 PolarHBondContact O-N 2.61Å
731I97.6Very high96.9Very high4 Ų427.7 Ų27.72%0.02112%0.12CC..Hα-helixtrans-53.6-46.5172.2-67.1168.6000110.9P121 F123 N286 A289 E290 E293 A729 M733 A734 Y735P121-I731 HydrophobicContact CB-CG1 3.87Å; P121-I731 HydrophobicContact CG-CG1 4.32Å; F123-I731 HydrophobicContact CB-CB 4.4Å; F123-I731 HydrophobicContact CB-CD1 4.29Å; F123-I731 HydrophobicContact CB-CG1 4.04Å; F123-I731 HydrophobicContact CB-CG2 3.6Å; F123-I731 HydrophobicContact CD1-CG2 4.21Å; F123-I731 HydrophobicContact CD2-CG2 4.07Å; F123-I731 HydrophobicContact CG-CG2 3.72Å; N286-I731 HydrophobicContact CB-CG2 4.22Å; A289-I731 HydrophobicContact CB-CD1 3.74Å; E290-I731 HydrophobicContact CG-CB 3.98Å; E290-I731 HydrophobicContact CG-CG2 3.81Å; E293-I731 HydrophobicContact CG-CD1 4.13Å; E293-I731 WeakPolarHBondContact OE1-CG1 3.3Å; E293-I731 PolarHBondContact OE2-N 2.82Å; A729-I731 PolarHBondContact O-N 3.14Å; I731-M733 PolarHBondContact O-N 3.36Å; I731-A734 PolarHBondContact O-N 3.33Å; I731-Y735 WeakPolarHBondContact O-CB 3.48Å; I731-Y735 PolarHBondContact O-N 3.06Å
732R97.9Very high96.9Very high2 Ų230.8 Ų30.81%0.00814%0.136CC..Hα-helixtrans-58.3-49.1177.3179.661.562.287.1-2.8111.3E290 D686 E689 V728 A729 Q730 A734 Y735 R736E290-R732 WeakPolarHBondContact OE1-CA 3.24Å; E290-R732 WeakPolarHBondContact OE1-CB 3.2Å; E290-R732 IonicContact OE1-CZ 3.81Å; E290-R732 IonicContact OE1-NE 3.48Å; E290-R732 PolarHBondContact OE1-NE 2.78Å; E290-R732 IonicContact OE1-NH2 3.43Å; E290-R732 IonicContact OE2-CZ 3.79Å; E290-R732 IonicContact OE2-NE 3.42Å; E290-R732 PolarHBondContact OE2-NE 3.29Å; E290-R732 IonicContact OE2-NH2 3.05Å; E290-R732 PolarHBondContact OE2-NH2 3.24Å; D686-R732 IonicContact OD1-CZ 4Å; D686-R732 IonicContact OD1-NH1 3.38Å; D686-R732 PolarHBondContact OD1-NH1 2.97Å; D686-R732 IonicContact OD1-NH2 2.75Å; D686-R732 PolarHBondContact OD1-NH2 3.13Å; D686-R732 VanDerWaalsContact OD1-NH2 3.11Å; E689-R732 IonicContact OE2-CZ 3.55Å; E689-R732 IonicContact OE2-NH1 3.34Å; E689-R732 PolarHBondContact OE2-NH1 3.45Å; V728-R732 HydrophobicContact CG1-CB 4.15Å; V728-R732 HydrophobicContact CG1-CG 4.06Å; A729-R732 HydrophobicContact CB-CB 4.22Å; A729-R732 WeakPolarHBondContact O-CB 3.49Å; A729-R732 PolarHBondContact O-N 3.11Å; Q730-R732 VanDerWaalsContact C-N 3.28Å; Q730-R732 PolarHBondContact O-N 3.24Å; R732-A734 PolarHBondContact O-N 3.38Å; R732-Y735 PolarHBondContact O-N 2.93Å; R732-R736 VanDerWaalsContact O-CG 3.32Å; R732-R736 WeakPolarHBondContact O-CG 3.31Å; R732-R736 PolarHBondContact O-N 3.42Å
733M97.6Very high96.9Very high12 Ų1228.9 Ų28.96%0.05913%0.126CC..Hα-helixtrans-67-36.4-177.6-65.8-57.9-53.200112.5H718 N721 V728 A729 Q730 I731 Y737H718-M733 HydrophobicContact CB-CB 4.16Å; N721-M733 HydrophobicContact CB-CB 4.32Å; N721-M733 HydrophobicContact CB-CE 4.45Å; N721-M733 HydrophobicContact CB-CG 3.72Å; V728-M733 HydrophobicContact CG1-CG 3.94Å; V728-M733 HydrophobicContact CG1-SD 3.82Å; A729-M733 PolarHBondContact O-N 2.87Å; Q730-M733 PolarHBondContact O-N 3.16Å; I731-M733 PolarHBondContact O-N 3.36Å; M733-Y737 VanDerWaalsContact O-CB 3.26Å; M733-Y737 WeakPolarHBondContact O-CB 3.39Å; M733-Y737 PolarHBondContact O-N 3.23Å; M733-Y737 VanDerWaalsContact O-N 3.09Å
734A97.6Very high96.9Very high0 Ų028.2 Ų28.20%012%0.122CC..Hα-helixtrans-65.3-47.4173.100000111.1P121 F123 H718 Q730 I731 R732 R736 Y737 E738P121-A734 HydrophobicContact CG-CB 3.67Å; F123-A734 HydrophobicContact CE1-CB 3.73Å; F123-A734 HydrophobicContact CZ-CB 4.3Å; H718-A734 HydrophobicContact CB-CB 4.19Å; Q730-A734 WeakPolarHBondContact O-CB 3.5Å; Q730-A734 PolarHBondContact O-N 2.61Å; I731-A734 PolarHBondContact O-N 3.33Å; R732-A734 PolarHBondContact O-N 3.38Å; A734-R736 PolarHBondContact O-N 2.84Å; A734-Y737 PolarHBondContact O-N 3Å; A734-E738 WeakPolarHBondContact O-CB 3.05Å; A734-E738 VanDerWaalsContact O-CG 3.31Å; A734-E738 WeakPolarHBondContact O-CG 3.41Å; A734-E738 PolarHBondContact O-N 3.16Å
735Y97.7Very high96.9Very high11 Ų1121.3 Ų21.34%0.04310%0.101CC..Hα-helixtrans-56.7-48.7176168.6-91.8000112.6K278 F279 H282 I731 R732 Y737 T739K278-Y735 HydrophobicContact CD-CE2 4.22Å; K278-Y735 HydrophobicContact CG-CE2 4.1Å; K278-Y735 WeakPolarHBondContact CG-OH 3.27Å; F279-Y735 WeakPolarHBondContact CA-OH 3.36Å; F279-Y735 HydrophobicContact CB-CE1 4.23Å; F279-Y735 HydrophobicContact CD2-CD1 4.07Å; F279-Y735 AromaticContact CD2-CE1 3.52Å; F279-Y735 HydrophobicContact CD2-CE1 3.52Å; F279-Y735 HydrophobicContact CE2-CE1 4.4Å; F279-Y735 HydrophobicContact CG-CE1 4.34Å; F279-Y735 PolarHBondContact N-OH 3.2Å; H282-Y735 HydrophobicContact CB-CD2 3.83Å; H282-Y735 HydrophobicContact CB-CE2 3.63Å; H282-Y735 HydrophobicContact CB-CG 4.39Å; H282-Y735 AromaticContact CE1-CD2 3.98Å; H282-Y735 AromaticContact CE1-CG 3.76Å; H282-Y735 AromaticContact CG-CD2 3.55Å; H282-Y735 AromaticContact CG-CE2 3.88Å; H282-Y735 AromaticContact CG-CG 3.74Å; H282-Y735 AromaticContact ND1-CD2 3.31Å; H282-Y735 VanDerWaalsContact ND1-CD2 3.31Å; H282-Y735 WeakPolarHBondContact ND1-CD2 3.29Å; H282-Y735 AromaticContact ND1-CG 3.56Å; I731-Y735 WeakPolarHBondContact O-CB 3.48Å; I731-Y735 PolarHBondContact O-N 3.06Å; R732-Y735 PolarHBondContact O-N 2.93Å; Y735-Y737 VanDerWaalsContact C-N 3.34Å; Y735-Y737 PolarHBondContact O-N 3.21Å; Y735-T739 VanDerWaalsContact O-CB 3.22Å; Y735-T739 WeakPolarHBondContact O-CB 3.19Å; Y735-T739 PolarHBondContact O-N 3.18Å; Y735-T739 PolarHBondContact O-OG1 2.94Å
736R97.9Very high96.8Very high30 Ų3020 Ų2011%0.11310%0.097CC..Hα-helixtrans-59.1-47.1179.2-70.2-66.8-169-157.7-2.5111L646 H647 G649 E689 R732 A734 T739 L740L646-R736 VanDerWaalsContact O-CZ 3.22Å; L646-R736 PolarHBondContact O-NH1 2.85Å; L646-R736 PolarHBondContact O-NH2 3.18Å; H647-R736 PolarHBondContact O-NH1 3.08Å; G649-R736 VanDerWaalsContact CA-NH1 3.29Å; E689-R736 IonicContact OE1-CZ 2.91Å; E689-R736 IonicContact OE1-NE 2.97Å; E689-R736 PolarHBondContact OE1-NE 3.45Å; E689-R736 IonicContact OE1-NH2 2.96Å; E689-R736 PolarHBondContact OE1-NH2 3.43Å; E689-R736 IonicContact OE2-CZ 3.1Å; E689-R736 IonicContact OE2-NE 3.99Å; E689-R736 IonicContact OE2-NH2 3.15Å; E689-R736 PolarHBondContact OE2-NH2 2.66Å; R732-R736 VanDerWaalsContact O-CG 3.32Å; R732-R736 WeakPolarHBondContact O-CG 3.31Å; R732-R736 PolarHBondContact O-N 3.42Å; A734-R736 PolarHBondContact O-N 2.84Å; R736-T739 PolarHBondContact O-N 2.71Å; R736-L740 WeakPolarHBondContact O-CB 3.41Å; R736-L740 PolarHBondContact O-N 3.48Å
737Y97.6Very high96.6Very high73 Ų7320 Ų2029%0.28610%0.097SC..Hα-helixtrans-66.2-51.4-178.9-179.1-110.3000113T169 D716 G717 M733 A734 Y735 T739 L740 C741T169-Y737 HydrophobicContact CG2-CE2 3.96Å; T169-Y737 WeakPolarHBondContact OG1-CE2 3.41Å; D716-Y737 HydrophobicContact CB-CD2 3.85Å; D716-Y737 HydrophobicContact CB-CE2 3.74Å; G717-Y737 VanDerWaalsContact CA-CB 3.43Å; M733-Y737 VanDerWaalsContact O-CB 3.26Å; M733-Y737 WeakPolarHBondContact O-CB 3.39Å; M733-Y737 PolarHBondContact O-N 3.23Å; M733-Y737 VanDerWaalsContact O-N 3.09Å; A734-Y737 PolarHBondContact O-N 3Å; Y735-Y737 VanDerWaalsContact C-N 3.34Å; Y735-Y737 PolarHBondContact O-N 3.21Å; Y737-T739 PolarHBondContact O-N 2.7Å; Y737-L740 PolarHBondContact O-N 3.26Å; Y737-L740 VanDerWaalsContact O-N 3.17Å; Y737-C741 VanDerWaalsContact CZ-SG 3.59Å; Y737-C741 WeakPolarHBondContact O-CB 3.22Å; Y737-C741 PolarHBondContact O-N 3.22Å; Y737-C741 PolarHBondContact O-SG 2.92Å
738E96.4Very high96.4Very high52 Ų5220.1 Ų20.124%0.24310%0.098CC..Hα-helixtrans-58.5-38177.4-71.3178.4-166.800110.9R125 A734 N742R125-E738 WeakPolarHBondContact CD-OE2 3.43Å; R125-E738 IonicContact CZ-OE1 2.77Å; R125-E738 IonicContact CZ-OE2 3.55Å; R125-E738 IonicContact NE-OE1 2.89Å; R125-E738 PolarHBondContact NE-OE1 3.46Å; R125-E738 VanDerWaalsContact NE-OE1 3.13Å; R125-E738 IonicContact NE-OE2 3.22Å; R125-E738 PolarHBondContact NE-OE2 3.35Å; R125-E738 IonicContact NH2-OE1 3.48Å; R125-E738 PolarHBondContact NH2-OE1 3.03Å; R125-E738 IonicContact NH2-OE2 2.83Å; A734-E738 WeakPolarHBondContact O-CB 3.05Å; A734-E738 VanDerWaalsContact O-CG 3.31Å; A734-E738 WeakPolarHBondContact O-CG 3.41Å; A734-E738 PolarHBondContact O-N 3.16Å; E738-N742 WeakPolarHBondContact O-CB 3.42Å; E738-N742 PolarHBondContact O-N 3.47Å; E738-N742 PolarHBondContact O-ND2 2.75Å; E738-N742 PolarHBondContact O-OD1 2.98Å
739T96.8Very high96Very high4 Ų424.1 Ų24.13%0.02512%0.12CC..Hα-helixtrans-68.8-42.7177.4-58.10000112.2L275 K278 Y735 R736 Y737 N742 E743L275-T739 HydrophobicContact CD2-CG2 3.39Å; K278-T739 HydrophobicContact CD-CG2 4.09Å; K278-T739 PolarHBondContact NZ-OG1 2.98Å; Y735-T739 VanDerWaalsContact O-CB 3.22Å; Y735-T739 WeakPolarHBondContact O-CB 3.19Å; Y735-T739 PolarHBondContact O-N 3.18Å; Y735-T739 PolarHBondContact O-OG1 2.94Å; R736-T739 PolarHBondContact O-N 2.71Å; Y737-T739 PolarHBondContact O-N 2.7Å; T739-N742 PolarHBondContact O-N 3.16Å; T739-E743 WeakPolarHBondContact O-CG 3.46Å; T739-E743 PolarHBondContact O-N 3.34Å; T739-E743 VanDerWaalsContact O-N 3.08Å
740L97.7Very high95.5Very high10 Ų1024.8 Ų24.85%0.05213%0.125CC..Hα-helixtrans-62.5-47.2174.9179.161.7000111.8Y617 Q620 R736 Y737 N742 E743 L744Y617-L740 HydrophobicContact CE1-CD1 3.95Å; Y617-L740 WeakPolarHBondContact OH-CA 3.44Å; Y617-L740 PolarHBondContact OH-N 3.37Å; Q620-L740 HydrophobicContact CG-CD2 3.71Å; R736-L740 WeakPolarHBondContact O-CB 3.41Å; R736-L740 PolarHBondContact O-N 3.48Å; Y737-L740 PolarHBondContact O-N 3.26Å; Y737-L740 VanDerWaalsContact O-N 3.17Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 3.43Å; L740-E743 PolarHBondContact O-N 3.26Å; L740-E743 VanDerWaalsContact O-N 3.15Å; L740-L744 HydrophobicContact CD1-CD1 4.01Å; L740-L744 HydrophobicContact CD1-CG 4.16Å; L740-L744 HydrophobicContact CD2-CD1 4.49Å; L740-L744 HydrophobicContact CG-CD1 3.82Å; L740-L744 HydrophobicContact CG-CG 4.4Å; L740-L744 WeakPolarHBondContact O-CG 3.23Å; L740-L744 PolarHBondContact O-N 3.08Å
741C97.2Very high95Very high19 Ų1924.4 Ų24.413%0.12813%0.125CC..Hα-helixtrans-57-41.3176.7-70.60000112F173 Y737 L744 S745F173-C741 HydrophobicContact CE2-CB 4.07Å; F173-C741 HydrophobicContact CZ-CB 3.9Å; F173-C741 WeakPolarHBondContact CZ-O 3.33Å; Y737-C741 VanDerWaalsContact CZ-SG 3.59Å; Y737-C741 WeakPolarHBondContact O-CB 3.22Å; Y737-C741 PolarHBondContact O-N 3.22Å; Y737-C741 PolarHBondContact O-SG 2.92Å; C741-L744 PolarHBondContact O-N 3.44Å; C741-S745 WeakPolarHBondContact O-CB 3.39Å; C741-S745 PolarHBondContact O-N 3.39Å
742N95Very high94.3Very high74 Ų7427.1 Ų27.140%0.39614%0.137SC..Hα-helixtrans-66-41.2176.5-68.9-13.3000112.4E738 T739 L740 L744 S745 F746E738-N742 WeakPolarHBondContact O-CB 3.42Å; E738-N742 PolarHBondContact O-N 3.47Å; E738-N742 PolarHBondContact O-ND2 2.75Å; E738-N742 PolarHBondContact O-OD1 2.98Å; T739-N742 PolarHBondContact O-N 3.16Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 3.43Å; N742-L744 VanDerWaalsContact C-N 3.33Å; N742-S745 PolarHBondContact O-N 3.43Å; N742-S745 PolarHBondContact O-OG 3.18Å; N742-F746 WeakPolarHBondContact O-CD2 3.16Å; N742-F746 VanDerWaalsContact O-CE2 3.24Å; N742-F746 WeakPolarHBondContact O-CE2 3.45Å; N742-F746 PolarHBondContact O-N 2.66Å
743E95.8Very high93.3Very high8 Ų830.4 Ų30.44%0.03716%0.16CC..Hα-helixtrans-65.6-38.3176.3-65.6-49.4121.600112R271 L275 Y614 Y617 L618 T739 L740R271-E743 IonicContact CZ-OE1 3.4Å; R271-E743 IonicContact CZ-OE2 3.39Å; R271-E743 IonicContact NE-OE1 2.72Å; R271-E743 IonicContact NE-OE2 3.39Å; R271-E743 PolarHBondContact NE-OE2 3.45Å; R271-E743 IonicContact NH2-OE1 3.31Å; R271-E743 PolarHBondContact NH2-OE1 3.23Å; R271-E743 IonicContact NH2-OE2 3.84Å; R271-E743 PolarHBondContact NH2-OE2 2.87Å; L275-E743 HydrophobicContact CD2-CG 3.86Å; Y614-E743 PolarHBondContact OH-OE2 2.91Å; Y617-E743 HydrophobicContact CE1-CB 3.91Å; Y617-E743 HydrophobicContact CE1-CG 3.68Å; L618-E743 HydrophobicContact CD2-CB 3.98Å; T739-E743 WeakPolarHBondContact O-CG 3.46Å; T739-E743 PolarHBondContact O-N 3.34Å; T739-E743 VanDerWaalsContact O-N 3.08Å; L740-E743 PolarHBondContact O-N 3.26Å; L740-E743 VanDerWaalsContact O-N 3.15Å
744L96.9Very high91.5Very high3 Ų333.4 Ų33.42%0.01617%0.174CC..Hα-helixtrans-70.7-32.6176.8-69.6168.8000112.6T169 T170 F173 L618 L740 C741 N742 F746 I747 A748T169-L744 HydrophobicContact CG2-CD1 3.9Å; T170-L744 HydrophobicContact CG2-CD2 3.87Å; F173-L744 HydrophobicContact CB-CB 3.98Å; F173-L744 HydrophobicContact CB-CD1 4.39Å; F173-L744 HydrophobicContact CD1-CB 3.76Å; F173-L744 HydrophobicContact CD2-CB 3.94Å; F173-L744 HydrophobicContact CD2-CD1 3.83Å; F173-L744 HydrophobicContact CE1-CB 4.2Å; F173-L744 HydrophobicContact CE2-CB 4.36Å; F173-L744 HydrophobicContact CE2-CD1 4.38Å; F173-L744 HydrophobicContact CG-CB 3.62Å; F173-L744 HydrophobicContact CG-CD1 4.2Å; F173-L744 HydrophobicContact CG-CG 4.5Å; F173-L744 HydrophobicContact CZ-CB 4.48Å; L618-L744 HydrophobicContact CD2-CD2 3.97Å; L618-L744 HydrophobicContact CD2-CG 4.39Å; L740-L744 HydrophobicContact CD1-CD1 4.01Å; L740-L744 HydrophobicContact CD1-CG 4.16Å; L740-L744 HydrophobicContact CD2-CD1 4.49Å; L740-L744 HydrophobicContact CG-CD1 3.82Å; L740-L744 HydrophobicContact CG-CG 4.4Å; L740-L744 WeakPolarHBondContact O-CG 3.23Å; L740-L744 PolarHBondContact O-N 3.08Å; C741-L744 PolarHBondContact O-N 3.44Å; N742-L744 VanDerWaalsContact C-N 3.33Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 3.07Å; L744-I747 WeakPolarHBondContact O-CB 3.44Å; L744-I747 PolarHBondContact O-N 3.49Å; L744-I747 VanDerWaalsContact O-N 3.12Å; L744-A748 PolarHBondContact O-N 3.37Å
745S94.6Very high89.7Confident28 Ų2834.9 Ų34.920%0.19619%0.186CC..Hα-helixtrans-64.7-39177.876.40000111.6C741 N742 I747 A748 D749C741-S745 WeakPolarHBondContact O-CB 3.39Å; C741-S745 PolarHBondContact O-N 3.39Å; N742-S745 PolarHBondContact O-N 3.43Å; N742-S745 PolarHBondContact O-OG 3.18Å; S745-I747 PolarHBondContact O-N 3.47Å; S745-A748 PolarHBondContact O-N 3.2Å; S745-D749 VanDerWaalsContact O-CB 3.24Å; S745-D749 WeakPolarHBondContact O-CB 3.37Å; S745-D749 PolarHBondContact O-N 3.25Å
746F92.5Very high87.5Confident46 Ų4641.9 Ų41.920%0.20222%0.221CC..Hα-helixtrans-56.5-37.6173.4-60.7-47.6000112Y141 N742 L744 A750Y141-F746 PolarHBondContact OH-O 3.19Å; N742-F746 WeakPolarHBondContact O-CD2 3.16Å; N742-F746 VanDerWaalsContact O-CE2 3.24Å; N742-F746 WeakPolarHBondContact O-CE2 3.45Å; N742-F746 PolarHBondContact O-N 2.66Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 3.07Å; F746-A750 WeakPolarHBondContact O-CB 3.34Å; F746-A750 PolarHBondContact O-N 3.02Å
747I92.9Very high85.3Confident4 Ų447.2 Ų47.22%0.02125%0.25CS..Hα-helixtrans-71.1-50.4178.4-60.1176.2000110.8V145 F149 L152 L618 L744 S745 V751V145-I747 HydrophobicContact CG1-CB 4.13Å; V145-I747 HydrophobicContact CG1-CG1 4.32Å; V145-I747 HydrophobicContact CG1-CG2 3.98Å; V145-I747 WeakPolarHBondContact CG1-O 3.49Å; F149-I747 HydrophobicContact CB-CG2 3.88Å; F149-I747 HydrophobicContact CD2-CG2 3.96Å; F149-I747 HydrophobicContact CG-CG2 4.44Å; L152-I747 HydrophobicContact CD1-CD1 4.29Å; L618-I747 HydrophobicContact CD1-CD1 3.44Å; L618-I747 VanDerWaalsContact CD1-CD1 3.44Å; L618-I747 HydrophobicContact CD2-CD1 3.91Å; L618-I747 HydrophobicContact CG-CD1 4.29Å; L744-I747 WeakPolarHBondContact O-CB 3.44Å; L744-I747 PolarHBondContact O-N 3.49Å; L744-I747 VanDerWaalsContact O-N 3.12Å; S745-I747 PolarHBondContact O-N 3.47Å; I747-V751 WeakPolarHBondContact O-CG2 3.46Å; I747-V751 PolarHBondContact O-N 3.33Å
748A92.3Very high82.7Confident4 Ų448.1 Ų48.13%0.03327%0.267CS..Hα-helixtrans-65.4-41.9-177.500000112.8F173 A177 L744 S745 V751 K752F173-A748 HydrophobicContact CD1-CB 4.14Å; A177-A748 HydrophobicContact CB-CB 3.95Å; L744-A748 PolarHBondContact O-N 3.37Å; S745-A748 PolarHBondContact O-N 3.2Å; A748-V751 PolarHBondContact O-N 2.92Å; A748-K752 WeakPolarHBondContact O-CG 3.39Å; A748-K752 PolarHBondContact O-N 2.92Å
749D89.1Confident79.8Confident85 Ų8556.1 Ų56.146%0.45530%0.304SS..Hα-helixtrans-68.2-36.8-176.2-68.1-20.8000112.1S745 K752 S753S745-D749 VanDerWaalsContact O-CB 3.24Å; S745-D749 WeakPolarHBondContact O-CB 3.37Å; S745-D749 PolarHBondContact O-N 3.25Å; D749-K752 PolarHBondContact O-N 3Å; D749-S753 WeakPolarHBondContact O-CB 3.46Å; D749-S753 PolarHBondContact O-N 3.33Å; D749-S753 PolarHBondContact O-OG 3.36Å
750A86.7Confident79Confident14 Ų1458.7 Ų58.712%0.11632%0.318CS..Hα-helixtrans-65.2-40.617600000111.7Y141 V145 F746Y141-A750 HydrophobicContact CE1-CB 4.01Å; V145-A750 HydrophobicContact CB-CB 4.27Å; V145-A750 HydrophobicContact CG1-CB 3.64Å; F746-A750 WeakPolarHBondContact O-CB 3.34Å; F746-A750 PolarHBondContact O-N 3.02Å
751V86.4Confident78Confident29 Ų2961.3 Ų61.318%0.17633%0.332CS..Hα-helixtrans-67.9-41.4177.4175.40000111.2F149 A177 I747 A748 A755F149-V751 HydrophobicContact CB-CG2 4.13Å; F149-V751 HydrophobicContact CD1-CG2 4.32Å; F149-V751 HydrophobicContact CD2-CG2 4.06Å; F149-V751 HydrophobicContact CG-CG2 3.9Å; A177-V751 HydrophobicContact CB-CB 4.37Å; A177-V751 HydrophobicContact CB-CG1 4.33Å; I747-V751 WeakPolarHBondContact O-CG2 3.46Å; I747-V751 PolarHBondContact O-N 3.33Å; A748-V751 PolarHBondContact O-N 2.92Å; V751-A755 PolarHBondContact O-N 3.08Å
752K84.7Confident76.9Confident61 Ų6163.6 Ų63.627%0.26534%0.344SS..Hα-helixtrans-65.9-40.3177.6-75179.3-179.9-179.80113.5S176 A748 D749 E754 A755 M756S176-K752 VanDerWaalsContact C-CE 3.42Å; S176-K752 WeakPolarHBondContact O-CE 3.42Å; S176-K752 PolarHBondContact O-NZ 3.38Å; S176-K752 PolarHBondContact OG-NZ 3.26Å; A748-K752 WeakPolarHBondContact O-CG 3.39Å; A748-K752 PolarHBondContact O-N 2.92Å; D749-K752 PolarHBondContact O-N 3Å; K752-E754 PolarHBondContact O-N 2.97Å; K752-A755 PolarHBondContact O-N 2.88Å; K752-M756 PolarHBondContact O-N 2.67Å
753S75.2Confident75.9Confident72 Ų7263 Ų6350%0.50334%0.341SS..Hα-helixtrans-60.2-33.3-177.4-62.10000111.7D749 I757D749-S753 WeakPolarHBondContact O-CB 3.46Å; D749-S753 PolarHBondContact O-N 3.33Å; D749-S753 PolarHBondContact O-OG 3.36Å; S753-I757 WeakPolarHBondContact O-CD1 3.23Å; S753-I757 VanDerWaalsContact O-CG1 3.28Å; S753-I757 WeakPolarHBondContact O-CG1 3.28Å
754E61.6Low74.6Confident74 Ų7466.4 Ų66.435%0.34636%0.359SS..Hα-helixtrans-79.8-37.2176.5-171.6-179-152.100113.5R146 K752 M756 I757 S758R146-E754 IonicContact CZ-OE1 3.04Å; R146-E754 IonicContact CZ-OE2 2.8Å; R146-E754 IonicContact NE-OE2 3.24Å; R146-E754 PolarHBondContact NE-OE2 3.21Å; R146-E754 IonicContact NH1-OE1 2.67Å; R146-E754 PolarHBondContact NH1-OE1 3.38Å; R146-E754 IonicContact NH1-OE2 2.97Å; R146-E754 PolarHBondContact NH1-OE2 3.12Å; R146-E754 IonicContact NH2-OE1 2.88Å; R146-E754 PolarHBondContact NH2-OE1 2.98Å; R146-E754 IonicContact NH2-OE2 3.08Å; R146-E754 PolarHBondContact NH2-OE2 3.47Å; R146-E754 VanDerWaalsContact NH2-OE2 3.08Å; K752-E754 PolarHBondContact O-N 2.97Å; E754-M756 PolarHBondContact O-N 3.49Å; E754-I757 PolarHBondContact O-N 3.37Å; E754-S758 PolarHBondContact O-N 2.76Å; E754-S758 PolarHBondContact O-OG 3.37Å
755A58.8Low73.1Confident31 Ų3170.7 Ų70.726%0.25638%0.382SS..Hα-helixtrans-57.3-30.2173.400000111.7V751 K752 S758 H759V751-A755 PolarHBondContact O-N 3.08Å; K752-A755 PolarHBondContact O-N 2.88Å; A755-S758 WeakPolarHBondContact CA-OG 3.34Å; A755-S758 PolarHBondContact O-OG 3.46Å; A755-H759 PolarHBondContact O-CD2 3.37Å
756M51.9Low71.6Confident159 Ų15973.7 Ų73.778%0.78340%0.396SS*.THydrogen-bonded Turntrans-79.9-17.5173.3-69.7-154.7155.800115.2K752 E754K752-M756 PolarHBondContact O-N 2.67Å; E754-M756 PolarHBondContact O-N 3.49Å
757I51.2Low70Confident141 Ų14175.8 Ų75.872%0.72341%0.411SS*.THydrogen-bonded Turntrans-92-22.4177.6-65.8165.3000111.1S753 E754S753-I757 WeakPolarHBondContact O-CD1 3.23Å; S753-I757 VanDerWaalsContact O-CG1 3.28Å; S753-I757 WeakPolarHBondContact O-CG1 3.28Å; E754-I757 PolarHBondContact O-N 3.37Å
758S42.8Very low68.1Low92 Ų9281.8 Ų81.864%0.64344%0.443SS*.  trans-91-8179.250.50000114.4E754 A755E754-S758 PolarHBondContact O-N 2.76Å; E754-S758 PolarHBondContact O-OG 3.37Å; A755-S758 WeakPolarHBondContact CA-OG 3.34Å; A755-S758 PolarHBondContact O-OG 3.46Å
759H36.6Very low65.9Low220 Ų22088.9 Ų88.9100%1.01948%0.48SS*.  trans-100.50166.1-77.2-51.2000110.4A755A755-H759 PolarHBondContact O-CD2 3.37Å

Retrieved 759 of 759 residues in 200.8 ms (Link to these results)

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