A0A077YZA6_TRITR Loading...

Retinal dehydrogenase 2

AlphaFold DB , UniProt , Accession A0A077YZA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 529 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
1M39Very low44.1Very low46 Ų4670.1 Ų70.123%0.22741%0.411CS..  01140-64168.7-163.600108.1C3 F135 F181 V184M1-C3 VanDerWaalsContact CB-SG 3.54Å; M1-C3 PolarHBondContact O-N 3.03Å; M1-C3 VanDerWaalsContact O-N 3.09Å; M1-F135 HydrophobicContact SD-CD1 3.75Å; M1-F135 HydrophobicContact SD-CE1 4.02Å; M1-F135 HydrophobicContact SD-CG 4.49Å; M1-F181 HydrophobicContact CE-CB 4.49Å; M1-F181 HydrophobicContact CE-CD1 3.55Å; M1-F181 HydrophobicContact CE-CD2 4.06Å; M1-F181 HydrophobicContact CE-CE1 3.65Å; M1-F181 HydrophobicContact CE-CE2 4.15Å; M1-F181 HydrophobicContact CE-CG 3.78Å; M1-F181 HydrophobicContact CE-CZ 3.96Å; M1-V184 HydrophobicContact CE-CG1 4.24Å
2A30.1Very low45.8Very low58 Ų5865.4 Ų65.448%0.47938%0.384SS..  trans-83.774.3159.700000102.8A4 F308A2-A4 VanDerWaalsContact C-N 3.25Å; A2-A4 PolarHBondContact O-N 2.86Å; A2-F308 HydrophobicContact CB-CE1 4.01Å; A2-F308 HydrophobicContact CB-CZ 3.98Å; A2-F308 VanDerWaalsContact N-CZ 3.26Å
3C35.2Very low47.6Very low8 Ų866.7 Ų66.75%0.05440%0.396CS..  trans-51.6102.5167.9-70.90000104.4M1 D5 V6M1-C3 VanDerWaalsContact CB-SG 3.54Å; M1-C3 PolarHBondContact O-N 3.03Å; M1-C3 VanDerWaalsContact O-N 3.09Å; C3-D5 WeakPolarHBondContact O-CA 3.43Å; C3-D5 PolarHBondContact O-N 3.15Å; C3-V6 HydrophobicContact CB-CB 4.18Å; C3-V6 HydrophobicContact CB-CG2 3.61Å; C3-V6 PolarHBondContact O-N 3.33Å
4A36.9Very low49.2Very low72 Ų7267 Ų6760%0.59540%0.398SS*.THydrogen-bonded Turntrans-35.5102.4-175.400000109.1A2 V6A2-A4 VanDerWaalsContact C-N 3.25Å; A2-A4 PolarHBondContact O-N 2.86Å; A4-V6 WeakPolarHBondContact O-CG2 3.27Å; A4-V6 PolarHBondContact O-N 2.78Å
5D37.1Very low50.6Low139 Ų13963.5 Ų63.574%0.74338%0.377SS*.THydrogen-bonded Turntrans4.766-164.4-62.4-49.3000115.7C3 V7C3-D5 WeakPolarHBondContact O-CA 3.43Å; C3-D5 PolarHBondContact O-N 3.15Å; D5-V7 PolarHBondContact O-N 2.91Å
6V47.6Very low51.5Low44 Ų4462.1 Ų62.127%0.26736%0.364SS..SBendtrans-69.8-18.7-177.9-179.20000111C3 A4 F134C3-V6 HydrophobicContact CB-CB 4.18Å; C3-V6 HydrophobicContact CB-CG2 3.61Å; C3-V6 PolarHBondContact O-N 3.33Å; A4-V6 WeakPolarHBondContact O-CG2 3.27Å; A4-V6 PolarHBondContact O-N 2.78Å; V6-F134 HydrophobicContact CG1-CB 4.01Å
7V49.2Very low52.2Low5 Ų564 Ų643%0.0338%0.376CS..SBendtrans-122.6133.8172.6-167.30000108.1D5 V9 F134D5-V7 PolarHBondContact O-N 2.91Å; V7-V9 PolarHBondContact O-N 3.11Å; V7-F134 HydrophobicContact CB-CD2 4.43Å; V7-F134 HydrophobicContact CB-CE2 4.46Å; V7-F134 HydrophobicContact CG1-CE2 4.08Å; V7-F134 HydrophobicContact CG2-CB 4.01Å; V7-F134 HydrophobicContact CG2-CD1 4.31Å; V7-F134 HydrophobicContact CG2-CD2 3.09Å; V7-F134 HydrophobicContact CG2-CE2 3.47Å; V7-F134 VanDerWaalsContact CG2-CE2 3.47Å; V7-F134 HydrophobicContact CG2-CG 3.56Å; V7-F134 HydrophobicContact CG2-CZ 4.24Å
8P46.3Very low52.6Low70 Ų7065 Ų6546%0.45538%0.375SS..  trans-62.5112.4161.827.6-30.5000106.8K10 D11P8-K10 HydrophobicContact CB-CD 3.93Å; P8-K10 HydrophobicContact CB-CG 3.9Å; P8-K10 HydrophobicContact CG-CD 4.31Å; P8-K10 HydrophobicContact CG-CG 4.23Å; P8-K10 PolarHBondContact O-N 3.09Å; P8-D11 PolarHBondContact O-N 2.91Å; P8-D11 VanDerWaalsContact O-N 3.07Å
9V49.7Very low52.8Low101 Ų10163.1 Ų63.161%0.61236%0.364SS*.G310 helixtrans-41.8-25.1-178.5175.60000113.4V7 D11 V12V7-V9 PolarHBondContact O-N 3.11Å; V9-D11 VanDerWaalsContact C-N 3.28Å; V9-D11 PolarHBondContact O-N 2.98Å; V9-V12 PolarHBondContact O-N 2.85Å
10K51.7Low52.5Low156 Ų15665 Ų6568%0.67838%0.381SS*.G310 helixtrans-52.8-29.4175.479.2-171-177.8178.40116.3P8 P13P8-K10 HydrophobicContact CB-CD 3.93Å; P8-K10 HydrophobicContact CB-CG 3.9Å; P8-K10 HydrophobicContact CG-CD 4.31Å; P8-K10 HydrophobicContact CG-CG 4.23Å; P8-K10 PolarHBondContact O-N 3.09Å; K10-P13 WeakPolarHBondContact O-CD 3.32Å
11D62.6Low51.8Low72 Ų7267.1 Ų67.139%0.38540%0.395SS..G310 helixtrans-87.2-21.6-173.8-65.8-31.4000113.1P8 V9 T14P8-D11 PolarHBondContact O-N 2.91Å; P8-D11 VanDerWaalsContact O-N 3.07Å; V9-D11 VanDerWaalsContact C-N 3.28Å; V9-D11 PolarHBondContact O-N 2.98Å; D11-T14 PolarHBondContact O-N 2.9Å; D11-T14 VanDerWaalsContact O-N 3.08Å; D11-T14 PolarHBondContact O-OG1 2.86Å
12V64Low51.8Low14 Ų1469.7 Ų69.79%0.08540%0.402CS..Hα-helixtrans-56.7-44.1-176.81770000113.1V9 T14 L15 Y16 K127 V130V9-V12 PolarHBondContact O-N 2.85Å; V12-T14 PolarHBondContact O-N 3.41Å; V12-L15 WeakPolarHBondContact O-CB 3.47Å; V12-L15 PolarHBondContact O-N 3.13Å; V12-Y16 HydrophobicContact CG1-CD2 4.19Å; V12-Y16 HydrophobicContact CG1-CE2 3.64Å; V12-Y16 WeakPolarHBondContact O-CD2 3.46Å; V12-Y16 PolarHBondContact O-N 3.47Å; V12-K127 HydrophobicContact CG1-CB 4.07Å; V12-V130 HydrophobicContact CG2-CG1 4.36Å
13P69.4Low52.4Low82 Ų8272.1 Ų72.153%0.53240%0.402SS..Hα-helixtrans-54.2-35.8175.5-27.936.3000114.1K10 L15 Y16K10-P13 WeakPolarHBondContact O-CD 3.32Å; P13-L15 VanDerWaalsContact C-N 3.29Å; P13-L15 PolarHBondContact O-N 3.38Å; P13-Y16 PolarHBondContact O-N 3.48Å
14T70Confident52.5Low71 Ų7180.1 Ų80.144%0.43644%0.436SS..Hα-helixtrans-74.5-19.3179.372.60000113.3D11 V12 T17D11-T14 PolarHBondContact O-N 2.9Å; D11-T14 VanDerWaalsContact O-N 3.08Å; D11-T14 PolarHBondContact O-OG1 2.86Å; V12-T14 PolarHBondContact O-N 3.41Å; T14-T17 PolarHBondContact O-OG1 2.71Å
15L70.5Confident52.5Low14 Ų1482.4 Ų82.47%0.07344%0.442CS..Hα-helixtrans-79.1-33.1176.7-63.3174.7000111.3V12 P13 T17 K18 V19 V111 A112 F126 V130V12-L15 WeakPolarHBondContact O-CB 3.47Å; V12-L15 PolarHBondContact O-N 3.13Å; P13-L15 VanDerWaalsContact C-N 3.29Å; P13-L15 PolarHBondContact O-N 3.38Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 3.01Å; L15-K18 HydrophobicContact CD2-CD 4.45Å; L15-K18 WeakPolarHBondContact O-CB 3.35Å; L15-K18 PolarHBondContact O-N 2.64Å; L15-V19 PolarHBondContact O-N 3.38Å; L15-V111 HydrophobicContact CD1-CG1 4.12Å; L15-V111 HydrophobicContact CD2-CG1 3.95Å; L15-A112 HydrophobicContact CD2-CB 4.05Å; L15-F126 HydrophobicContact CB-CE1 3.85Å; L15-F126 HydrophobicContact CB-CZ 4.14Å; L15-V130 HydrophobicContact CD1-CG1 3.83Å; L15-V130 HydrophobicContact CD1-CG2 3.87Å
16Y65.2Low52.4Low42 Ų4283.7 Ų83.717%0.16545%0.448CS..Hα-helixtrans-58.2-37.7175-79.2-81.1000112.4V12 P13 K18 V19 F126 K127 F351 P353V12-Y16 HydrophobicContact CG1-CD2 4.19Å; V12-Y16 HydrophobicContact CG1-CE2 3.64Å; V12-Y16 WeakPolarHBondContact O-CD2 3.46Å; V12-Y16 PolarHBondContact O-N 3.47Å; P13-Y16 PolarHBondContact O-N 3.48Å; Y16-K18 PolarHBondContact O-N 3.11Å; Y16-V19 WeakPolarHBondContact O-CB 2.98Å; Y16-V19 WeakPolarHBondContact O-CG2 3.42Å; Y16-V19 PolarHBondContact O-N 2.82Å; Y16-F126 AromaticContact CD1-CD1 3.88Å; Y16-F126 HydrophobicContact CD1-CD1 3.88Å; Y16-F126 HydrophobicContact CD1-CE1 4.43Å; Y16-F126 HydrophobicContact CD1-CG 4.48Å; Y16-F126 HydrophobicContact CD2-CD1 4.28Å; Y16-F126 HydrophobicContact CE1-CB 3.82Å; Y16-F126 AromaticContact CE1-CD1 3.58Å; Y16-F126 HydrophobicContact CE1-CD1 3.58Å; Y16-F126 HydrophobicContact CE1-CG 4.02Å; Y16-F126 HydrophobicContact CE2-CD1 4.04Å; Y16-F126 HydrophobicContact CG-CD1 4.21Å; Y16-F126 HydrophobicContact CG-CE1 4.41Å; Y16-F126 AromaticContact CZ-CD1 3.66Å; Y16-K127 PolarHBondContact OH-N 2.79Å; Y16-F351 VanDerWaalsContact CE1-O 3.25Å; Y16-F351 WeakPolarHBondContact CE1-O 3.16Å; Y16-P353 HydrophobicContact CD2-CB 4.5Å; Y16-P353 HydrophobicContact CE1-CB 4.27Å; Y16-P353 HydrophobicContact CE2-CB 3.96Å
17T63.5Low52.5Low94 Ų9489.7 Ų89.758%0.57747%0.47SS*.Hα-helixtrans-68.9-18.4177.864.30000113.3T14 L15T14-T17 PolarHBondContact O-OG1 2.71Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 3.01Å
18K59.6Low52.7Low82 Ų8291.3 Ų91.336%0.35748%0.476SS..Hα-helixtrans-87.2-15177.2-65.1175.9-177.3168.80113L15 Y16 S20 V21 A112L15-K18 HydrophobicContact CD2-CD 4.45Å; L15-K18 WeakPolarHBondContact O-CB 3.35Å; L15-K18 PolarHBondContact O-N 2.64Å; Y16-K18 PolarHBondContact O-N 3.11Å; K18-S20 VanDerWaalsContact C-N 3.32Å; K18-S20 PolarHBondContact O-N 2.89Å; K18-V21 PolarHBondContact O-N 2.87Å; K18-A112 HydrophobicContact CB-CB 4.24Å; K18-A112 HydrophobicContact CD-CB 4.45Å
19V55.3Low53Low28 Ų2891.5 Ų91.517%0.1748%0.483CS..Hα-helixtrans-61.3-41-179.6178.30000110.9L15 Y16 T116 F126 F351L15-V19 PolarHBondContact O-N 3.38Å; Y16-V19 WeakPolarHBondContact O-CB 2.98Å; Y16-V19 WeakPolarHBondContact O-CG2 3.42Å; Y16-V19 PolarHBondContact O-N 2.82Å; V19-T116 HydrophobicContact CG1-CG2 4.24Å; V19-F126 HydrophobicContact CG2-CD2 4.2Å; V19-F126 HydrophobicContact CG2-CE1 4.15Å; V19-F126 HydrophobicContact CG2-CE2 3.67Å; V19-F126 HydrophobicContact CG2-CZ 3.64Å; V19-F351 HydrophobicContact CG1-CD1 3.76Å; V19-F351 HydrophobicContact CG1-CE1 3.64Å; V19-F351 HydrophobicContact CG2-CD1 4.45Å; V19-F351 HydrophobicContact CG2-CE1 4.47Å
20S47.2Very low53.4Low101 Ų10191 Ų9171%0.70648%0.477SS*.THydrogen-bonded Turntrans-76.9-29-179.556.40000113.9K18K18-S20 VanDerWaalsContact C-N 3.32Å; K18-S20 PolarHBondContact O-N 2.89Å
21V37.4Very low54.2Low111 Ų11184 Ų8467%0.67345%0.447SS*.THydrogen-bonded Turntrans-89.3-7.7-167.7-173.50000113.3K18K18-V21 PolarHBondContact O-N 2.87Å
22R39.9Very low55.3Low99 Ų9983.5 Ų83.537%0.37444%0.441SS..  trans-1127.7-163.1-78.5-171.5175-163.5-0.8118.2K24R22-K24 PolarHBondContact O-N 2.83Å
23F41.9Very low56.7Low109 Ų10985.3 Ų85.348%0.47845%0.448SS..  trans-72.957.9164.4-71.8-78.7000110.9V25 T116 K120F23-V25 VanDerWaalsContact C-N 3.29Å; F23-V25 WeakPolarHBondContact O-CG2 3.36Å; F23-V25 PolarHBondContact O-N 3.5Å; F23-T116 HydrophobicContact CZ-CG2 4.39Å; F23-K120 HydrophobicContact CZ-CD 4.49Å
24K38.3Very low58Low177 Ų17781.4 Ų81.477%0.7742%0.422SS*.  trans-66.396.7160.8-82.1-170.3178.1-175.80106.7R22 I26R22-K24 PolarHBondContact O-N 2.83Å; K24-I26 PolarHBondContact O-N 3.06Å
25V36.6Very low59.3Low120 Ų12078 Ų7873%0.72740%0.402SS*.THydrogen-bonded Turntrans-52.8-16-170.91770000114.9F23F23-V25 VanDerWaalsContact C-N 3.29Å; F23-V25 WeakPolarHBondContact O-CG2 3.36Å; F23-V25 PolarHBondContact O-N 3.5Å
26I35.9Very low60.6Low166 Ų16678 Ų7885%0.85140%0.402SS*.THydrogen-bonded Turntrans-95-11.9-158.9-58.7178.3000115.1K24K24-I26 PolarHBondContact O-N 3.06Å
27K49Very low62Low170 Ų17077.6 Ų77.674%0.73941%0.407SS*.SBendtrans-96.2-9.9173.9-77.2-169.8176.4-172.90115.2
28Y52.5Low63.4Low39 Ų3974.1 Ų74.115%0.15338%0.384CS..G310 helixtrans-87.1-22.7-165.3-72.5-91.2000116.2L30 L31 T113Y28-L30 PolarHBondContact O-N 3.34Å; Y28-L31 HydrophobicContact CD1-CD1 3.28Å; Y28-L31 HydrophobicContact CD1-CG 4.43Å; Y28-L31 HydrophobicContact CE1-CD1 3.63Å; Y28-L31 HydrophobicContact CG-CD1 4.02Å; Y28-L31 WeakPolarHBondContact O-CA 3.2Å; Y28-L31 VanDerWaalsContact O-CB 3.28Å; Y28-L31 WeakPolarHBondContact O-CB 3.29Å; Y28-L31 PolarHBondContact O-N 2.75Å; Y28-T113 WeakPolarHBondContact OH-CG2 3.46Å
29A53.2Low65Low73 Ų7377 Ų7760%0.60340%0.397SS*.G310 helixtrans-60-24.8-177.200000113.4
30L58.9Low66.9Low91 Ų9177.3 Ų77.348%0.47640%0.396SS..G310 helixtrans-75.6-29173-63175.4000112.6Y28 F32 K33 F40Y28-L30 PolarHBondContact O-N 3.34Å; L30-F32 PolarHBondContact O-N 2.64Å; L30-K33 WeakPolarHBondContact O-CB 3.27Å; L30-K33 PolarHBondContact O-N 3.2Å; L30-K33 VanDerWaalsContact O-N 3.12Å; L30-F40 HydrophobicContact CB-CB 4.02Å; L30-F40 HydrophobicContact CB-CD1 4.41Å; L30-F40 HydrophobicContact CB-CD2 3.94Å; L30-F40 HydrophobicContact CB-CE2 4.49Å; L30-F40 HydrophobicContact CB-CG 3.87Å; L30-F40 HydrophobicContact CD1-CD2 4.47Å; L30-F40 HydrophobicContact CD2-CB 3.99Å; L30-F40 WeakPolarHBondContact O-CD1 3.49Å; L30-F40 WeakPolarHBondContact O-CE1 3.5Å; L30-F40 WeakPolarHBondContact O-CG 3.28Å
31L68.7Low69.2Low9 Ų975 Ų755%0.04738%0.378CS..G310 helixtrans-70.20.4-177.8-65178.1000114.1Y28 F40 L213 Y214Y28-L31 HydrophobicContact CD1-CD1 3.28Å; Y28-L31 HydrophobicContact CD1-CG 4.43Å; Y28-L31 HydrophobicContact CE1-CD1 3.63Å; Y28-L31 HydrophobicContact CG-CD1 4.02Å; Y28-L31 WeakPolarHBondContact O-CA 3.2Å; Y28-L31 VanDerWaalsContact O-CB 3.28Å; Y28-L31 WeakPolarHBondContact O-CB 3.29Å; Y28-L31 PolarHBondContact O-N 2.75Å; L31-F40 HydrophobicContact CD2-CZ 4.19Å; L31-L213 VanDerWaalsContact CD2-O 3.3Å; L31-L213 WeakPolarHBondContact CD2-O 3.27Å; L31-L213 WeakPolarHBondContact O-CB 3.48Å; L31-L213 WeakPolarHBondContact O-CD1 2.86Å; L31-Y214 HydrophobicContact CD1-CD2 3.6Å; L31-Y214 HydrophobicContact CD1-CE2 4.2Å; L31-Y214 HydrophobicContact CD2-CD2 4.41Å
32F83.8Confident72Confident62 Ų6273.5 Ų73.527%0.27237%0.366SS..G310 helixtrans-109.16177.1-47.3-40.1000112.2L30 A61 R62 I63 Q64L30-F32 PolarHBondContact O-N 2.64Å; F32-A61 HydrophobicContact CD1-CB 3.79Å; F32-A61 HydrophobicContact CE1-CB 3.52Å; F32-A61 HydrophobicContact CZ-CB 4.04Å; F32-R62 WeakPolarHBondContact CB-O 3.32Å; F32-I63 HydrophobicContact CB-CD1 4.05Å; F32-I63 HydrophobicContact CD1-CD1 3.64Å; F32-I63 HydrophobicContact CG-CD1 4.2Å; F32-Q64 WeakPolarHBondContact O-CB 3.29Å; F32-Q64 WeakPolarHBondContact O-CG 3.08Å; F32-Q64 PolarHBondContact O-N 2.83Å
33K94Very high74.7Confident51 Ų5169.1 Ų69.122%0.22235%0.35CS..SBendtrans-104.3168.5-178.4-63.1-165.3-179-142.80111.4L30 F40 V41 D42 Q64 L213L30-K33 WeakPolarHBondContact O-CB 3.27Å; L30-K33 PolarHBondContact O-N 3.2Å; L30-K33 VanDerWaalsContact O-N 3.12Å; K33-F40 HydrophobicContact CB-CB 4.1Å; K33-F40 HydrophobicContact CB-CD1 4.27Å; K33-F40 HydrophobicContact CD-CB 4.44Å; K33-V41 WeakPolarHBondContact CB-O 2.98Å; K33-D42 VanDerWaalsContact CD-OD1 3.26Å; K33-D42 WeakPolarHBondContact CD-OD1 3.48Å; K33-D42 WeakPolarHBondContact CE-OD1 3.14Å; K33-D42 IonicContact NZ-OD1 2.68Å; K33-D42 PolarHBondContact NZ-OD1 2.73Å; K33-D42 IonicContact NZ-OD2 2.66Å; K33-D42 PolarHBondContact NZ-OD2 2.78Å; K33-Q64 HydrophobicContact CB-CG 4.45Å; K33-Q64 HydrophobicContact CG-CG 4.28Å; K33-L213 WeakPolarHBondContact O-CD2 3.21Å
34L97.1Very high77.4Confident0 Ų067.5 Ų67.50%035%0.35CS..EExtended strand (participates in β ladder)trans-71.1144.5170.6-44.9-175.8000109.1I36 F40 V41 Q64 D70 I237 P238L34-I36 HydrophobicContact CB-CD1 4.35Å; L34-I36 HydrophobicContact CB-CG1 4.34Å; L34-I36 HydrophobicContact CD1-CD1 4.46Å; L34-F40 CarbonylContact O-C 3.5Å; L34-F40 VanDerWaalsContact O-CA 3.25Å; L34-F40 WeakPolarHBondContact O-CA 3.3Å; L34-V41 HydrophobicContact CB-CG2 4.12Å; L34-V41 WeakPolarHBondContact CB-O 3.14Å; L34-V41 PolarHBondContact N-O 2.66Å; L34-V41 PolarHBondContact O-N 2.7Å; L34-Q64 HydrophobicContact CD2-CB 4Å; L34-Q64 HydrophobicContact CG-CB 4.26Å; L34-D70 HydrophobicContact CD1-CB 3.54Å; L34-D70 VanDerWaalsContact CD1-CG 3.43Å; L34-D70 WeakPolarHBondContact CD1-OD1 3.36Å; L34-I237 HydrophobicContact CB-CD1 4.09Å; L34-I237 HydrophobicContact CD1-CD1 4.28Å; L34-I237 HydrophobicContact CD2-CG2 4.46Å; L34-P238 HydrophobicContact CD2-CG 3.69Å
35F96.3Very high80.2Confident0 Ų061.7 Ų61.70%033%0.331CS..EExtended strand (participates in β ladder)trans-106.5105.4174.7-178.1-109.4000109.7K39 F40 V219 V220 I234 N235 I236F35-K39 WeakPolarHBondContact CA-O 3.4Å; F35-F40 HydrophobicContact CB-CD1 4.3Å; F35-F40 HydrophobicContact CB-CE1 4.11Å; F35-F40 HydrophobicContact CD2-CD1 4.26Å; F35-F40 HydrophobicContact CD2-CD2 4.13Å; F35-F40 HydrophobicContact CD2-CE1 4.09Å; F35-F40 AromaticContact CD2-CE2 3.93Å; F35-F40 HydrophobicContact CD2-CE2 3.93Å; F35-F40 HydrophobicContact CD2-CG 4.31Å; F35-F40 AromaticContact CD2-CZ 3.92Å; F35-F40 HydrophobicContact CD2-CZ 3.92Å; F35-F40 HydrophobicContact CE2-CE2 4.28Å; F35-F40 HydrophobicContact CG-CE1 4.47Å; F35-V219 HydrophobicContact CE1-CB 4.29Å; F35-V219 HydrophobicContact CE1-CG1 4.1Å; F35-V219 HydrophobicContact CZ-CB 4.08Å; F35-V219 HydrophobicContact CZ-CG1 3.82Å; F35-V220 HydrophobicContact CD2-CG2 4.47Å; F35-V220 HydrophobicContact CE2-CG2 3.43Å; F35-V220 VanDerWaalsContact CE2-CG2 3.43Å; F35-V220 HydrophobicContact CZ-CG2 3.98Å; F35-I234 WeakPolarHBondContact CE1-O 3.49Å; F35-N235 CarbonylContact O-C 3.38Å; F35-N235 WeakPolarHBondContact O-CA 3.41Å; F35-I236 HydrophobicContact CB-CB 4.05Å; F35-I236 HydrophobicContact CB-CG1 4.43Å; F35-I236 HydrophobicContact CD1-CD1 4.36Å; F35-I236 HydrophobicContact CD1-CG1 4.19Å; F35-I236 PolarHBondContact N-O 3.1Å; F35-I236 PolarHBondContact O-N 3.38Å
36I97.6Very high83Confident15 Ų1558.2 Ų58.28%0.07732%0.32CS..EExtended strand (participates in β ladder)trans-132.2131.6-176.3-55.9179.2000109.2L34 N38 K39 V41 K73 A74 A77 I237L34-I36 HydrophobicContact CB-CD1 4.35Å; L34-I36 HydrophobicContact CB-CG1 4.34Å; L34-I36 HydrophobicContact CD1-CD1 4.46Å; I36-N38 VanDerWaalsContact C-N 3.28Å; I36-N38 PolarHBondContact O-N 2.78Å; I36-K39 PolarHBondContact N-O 2.74Å; I36-K39 PolarHBondContact O-N 3.15Å; I36-K39 VanDerWaalsContact O-O 3.11Å; I36-V41 HydrophobicContact CB-CG2 4.24Å; I36-V41 HydrophobicContact CD1-CG2 3.98Å; I36-V41 HydrophobicContact CG1-CG2 4.15Å; I36-K73 HydrophobicContact CD1-CB 4.36Å; I36-A74 HydrophobicContact CD1-CB 4.36Å; I36-A74 HydrophobicContact CG1-CB 4.36Å; I36-A74 HydrophobicContact CG2-CB 4.49Å; I36-A77 HydrophobicContact CG2-CB 4.23Å; I36-I237 HydrophobicContact CD1-CD1 3.52Å; I36-I237 HydrophobicContact CG1-CD1 3.55Å
37A95.6Very high85.8Confident33 Ų3354.7 Ų54.727%0.27330%0.298SS..THydrogen-bonded Turntrans50.546175.700000113.7K39 A77 P231 N235A37-K39 PolarHBondContact O-N 2.96Å; A37-A77 HydrophobicContact CB-CB 4.06Å; A37-P231 HydrophobicContact CB-CB 4.19Å; A37-N235 PolarHBondContact N-OD1 3.3Å
38N93.6Very high88Confident20 Ų2049.2 Ų49.211%0.10728%0.279CS..THydrogen-bonded Turntrans63.420.3-178-62.5-10000115.3I36 L223 L229 P231I36-N38 VanDerWaalsContact C-N 3.28Å; I36-N38 PolarHBondContact O-N 2.78Å; N38-L223 HydrophobicContact CB-CD1 3.56Å; N38-L223 WeakPolarHBondContact ND2-CD1 3.12Å; N38-L229 PolarHBondContact ND2-O 2.85Å; N38-P231 WeakPolarHBondContact ND2-CA 3.47Å
39K93.1Very high89.9Confident144 Ų14447.9 Ų47.963%0.62627%0.274SS*.EExtended strand (participates in β ladder)trans-130144.4177.8-63.7-179.9-178.3178.90110.9F35 I36 A37 V41F35-K39 WeakPolarHBondContact CA-O 3.4Å; I36-K39 PolarHBondContact N-O 2.74Å; I36-K39 PolarHBondContact O-N 3.15Å; I36-K39 VanDerWaalsContact O-O 3.11Å; A37-K39 PolarHBondContact O-N 2.96Å; K39-V41 HydrophobicContact CB-CG1 4.14Å
40F94.3Very high91.7Very high33 Ų3347.6 Ų47.615%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-85.9120.8167.8-74.9-81000109.6L30 L31 K33 L34 F35 V220L30-F40 HydrophobicContact CB-CB 4.02Å; L30-F40 HydrophobicContact CB-CD1 4.41Å; L30-F40 HydrophobicContact CB-CD2 3.94Å; L30-F40 HydrophobicContact CB-CE2 4.49Å; L30-F40 HydrophobicContact CB-CG 3.87Å; L30-F40 HydrophobicContact CD1-CD2 4.47Å; L30-F40 HydrophobicContact CD2-CB 3.99Å; L30-F40 WeakPolarHBondContact O-CD1 3.49Å; L30-F40 WeakPolarHBondContact O-CE1 3.5Å; L30-F40 WeakPolarHBondContact O-CG 3.28Å; L31-F40 HydrophobicContact CD2-CZ 4.19Å; K33-F40 HydrophobicContact CB-CB 4.1Å; K33-F40 HydrophobicContact CB-CD1 4.27Å; K33-F40 HydrophobicContact CD-CB 4.44Å; L34-F40 CarbonylContact O-C 3.5Å; L34-F40 VanDerWaalsContact O-CA 3.25Å; L34-F40 WeakPolarHBondContact O-CA 3.3Å; F35-F40 HydrophobicContact CB-CD1 4.3Å; F35-F40 HydrophobicContact CB-CE1 4.11Å; F35-F40 HydrophobicContact CD2-CD1 4.26Å; F35-F40 HydrophobicContact CD2-CD2 4.13Å; F35-F40 HydrophobicContact CD2-CE1 4.09Å; F35-F40 AromaticContact CD2-CE2 3.93Å; F35-F40 HydrophobicContact CD2-CE2 3.93Å; F35-F40 HydrophobicContact CD2-CG 4.31Å; F35-F40 AromaticContact CD2-CZ 3.92Å; F35-F40 HydrophobicContact CD2-CZ 3.92Å; F35-F40 HydrophobicContact CE2-CE2 4.28Å; F35-F40 HydrophobicContact CG-CE1 4.47Å; F40-V220 HydrophobicContact CE2-CG2 4.23Å
41V95.9Very high93.1Very high52 Ų5243.3 Ų43.332%0.31524%0.238SC..EExtended strand (participates in β ladder)trans-132.7146.4-173.2-60.50000111.1K33 L34 I36 K39K33-V41 WeakPolarHBondContact CB-O 2.98Å; L34-V41 HydrophobicContact CB-CG2 4.12Å; L34-V41 WeakPolarHBondContact CB-O 3.14Å; L34-V41 PolarHBondContact N-O 2.66Å; L34-V41 PolarHBondContact O-N 2.7Å; I36-V41 HydrophobicContact CB-CG2 4.24Å; I36-V41 HydrophobicContact CD1-CG2 3.98Å; I36-V41 HydrophobicContact CG1-CG2 4.15Å; K39-V41 HydrophobicContact CB-CG1 4.14Å
42D96.3Very high94Very high80 Ų8044.3 Ų44.343%0.42824%0.243SC..  trans-69.1153.7173.4-60.7-46.5000110.4K33K33-D42 VanDerWaalsContact CD-OD1 3.26Å; K33-D42 WeakPolarHBondContact CD-OD1 3.48Å; K33-D42 WeakPolarHBondContact CE-OD1 3.14Å; K33-D42 IonicContact NZ-OD1 2.68Å; K33-D42 PolarHBondContact NZ-OD1 2.73Å; K33-D42 IonicContact NZ-OD2 2.66Å; K33-D42 PolarHBondContact NZ-OD2 2.78Å
43S97Very high94.2Very high7 Ų741.8 Ų41.85%0.04923%0.233CC..  trans-61.1149.3172.763.40000110.3S45 G46 K47 Q64 E65S43-S45 PolarHBondContact O-N 2.9Å; S43-G46 PolarHBondContact O-N 2.72Å; S43-G46 VanDerWaalsContact O-N 3.09Å; S43-G46 WeakPolarHBondContact OG-CA 3.46Å; S43-G46 PolarHBondContact OG-N 2.74Å; S43-G46 VanDerWaalsContact OG-N 3.1Å; S43-K47 PolarHBondContact OG-N 3.28Å; S43-K47 PolarHBondContact OG-O 2.79Å; S43-Q64 PolarHBondContact OG-OE1 2.86Å; S43-E65 WeakPolarHBondContact CB-O 3.39Å
44V97.9Very high94.1Very high76 Ų7639.3 Ų39.346%0.46122%0.222SC..THydrogen-bonded Turntrans-57.8-37.9177.3167.60000111.9G46 P69 D70 K73V44-G46 VanDerWaalsContact C-N 3.33Å; V44-P69 HydrophobicContact CB-CB 4.1Å; V44-P69 HydrophobicContact CG1-CB 4.08Å; V44-P69 HydrophobicContact CG2-CB 4.12Å; V44-D70 WeakPolarHBondContact CG2-OD1 3.23Å; V44-D70 PolarHBondContact N-OD1 2.97Å; V44-K73 HydrophobicContact CG2-CD 4.16Å
45S96.7Very high93.8Very high54 Ų5440.7 Ų40.738%0.37823%0.23SC..THydrogen-bonded Turntrans-80.4-1418061.60000113.5S43 K47 E67S43-S45 PolarHBondContact O-N 2.9Å; S45-K47 PolarHBondContact O-N 3.37Å; S45-E67 WeakPolarHBondContact CB-OE2 3.24Å; S45-E67 PolarHBondContact OG-OE2 3.32Å
46G95.6Very high93.4Very high48 Ų4843 Ų4350%0.49524%0.243SC..  trans68.74.4-172.800000114S43 V44S43-G46 PolarHBondContact O-N 2.72Å; S43-G46 VanDerWaalsContact O-N 3.09Å; S43-G46 WeakPolarHBondContact OG-CA 3.46Å; S43-G46 PolarHBondContact OG-N 2.74Å; S43-G46 VanDerWaalsContact OG-N 3.1Å; V44-G46 VanDerWaalsContact C-N 3.33Å
47K95.9Very high92.9Very high91 Ų9145.6 Ų45.640%0.39626%0.255SS..  trans-68.9155.3178.1-69.9179.9-170166.60110.9S43 S45 Q64 E65 E67S43-K47 PolarHBondContact OG-N 3.28Å; S43-K47 PolarHBondContact OG-O 2.79Å; S45-K47 PolarHBondContact O-N 3.37Å; K47-Q64 PolarHBondContact O-OE1 3.2Å; K47-E65 HydrophobicContact CB-CB 4.02Å; K47-E65 PolarHBondContact O-N 2.86Å; K47-E67 IonicContact NZ-OE1 3.36Å; K47-E67 PolarHBondContact NZ-OE1 3.46Å; K47-E67 IonicContact NZ-OE2 3.43Å
48T94.4Very high92.5Very high56 Ų5649.7 Ų49.734%0.34427%0.267SS..EExtended strand (participates in β ladder)trans-143.4152.3177.663.40000110.9R62 I63T48-R62 HydrophobicContact CG2-CG 4.05Å; T48-R62 VanDerWaalsContact OG1-CD 3.31Å; T48-R62 WeakPolarHBondContact OG1-CD 3.5Å; T48-R62 WeakPolarHBondContact OG1-CG 3.49Å; T48-I63 CarbonylContact C-O 3.57Å; T48-I63 WeakPolarHBondContact CA-O 3.49Å; T48-I63 VanDerWaalsContact CB-O 3.24Å; T48-I63 WeakPolarHBondContact CB-O 3.14Å
49F92.6Very high92.2Very high10 Ų1052.4 Ų52.44%0.04429%0.285CS..EExtended strand (participates in β ladder)trans-120.9159.6167.965.6-86.4000110.8R62 I63 E65 E206 P209 P238 F240F49-R62 CarbonylContact O-C 3.5Å; F49-R62 WeakPolarHBondContact O-CA 3.4Å; F49-I63 HydrophobicContact CD1-CB 4.42Å; F49-I63 HydrophobicContact CD2-CB 4.48Å; F49-I63 HydrophobicContact CE1-CB 3.94Å; F49-I63 HydrophobicContact CE1-CG2 3.92Å; F49-I63 HydrophobicContact CE2-CB 4Å; F49-I63 HydrophobicContact CE2-CG1 4.25Å; F49-I63 HydrophobicContact CE2-CG2 4.45Å; F49-I63 HydrophobicContact CZ-CB 3.71Å; F49-I63 HydrophobicContact CZ-CG1 4.34Å; F49-I63 HydrophobicContact CZ-CG2 3.72Å; F49-I63 PolarHBondContact N-O 3.16Å; F49-I63 PolarHBondContact O-N 3.24Å; F49-E65 HydrophobicContact CD1-CB 3.94Å; F49-E65 HydrophobicContact CD1-CG 4.12Å; F49-E206 HydrophobicContact CE2-CB 4.09Å; F49-E206 WeakPolarHBondContact CE2-O 3.45Å; F49-E206 HydrophobicContact CZ-CB 4.32Å; F49-P209 HydrophobicContact CE2-CG 4.43Å; F49-P238 HydrophobicContact CE1-CB 4.4Å; F49-P238 HydrophobicContact CZ-CB 4.22Å; F49-F240 HydrophobicContact CB-CE2 3.9Å; F49-F240 HydrophobicContact CB-CZ 3.68Å; F49-F240 HydrophobicContact CD1-CE2 4.16Å; F49-F240 HydrophobicContact CD1-CZ 4.41Å; F49-F240 HydrophobicContact CD2-CZ 4.42Å; F49-F240 HydrophobicContact CG-CE2 4.11Å; F49-F240 AromaticContact CG-CZ 3.94Å; F49-F240 HydrophobicContact CG-CZ 3.94Å
50E90.4Very high91.9Very high68 Ų6848 Ų4832%0.31827%0.268SS..EExtended strand (participates in β ladder)trans-89.5130.5178.5-63.7-173154.700110.2I52 P59 A61 R62 R362 H364E50-I52 HydrophobicContact CB-CD1 4.44Å; E50-I52 HydrophobicContact CB-CG1 4.01Å; E50-P59 HydrophobicContact CB-CB 4.41Å; E50-P59 WeakPolarHBondContact OE2-CG 3.33Å; E50-A61 CarbonylContact C-O 3.52Å; E50-A61 WeakPolarHBondContact CA-O 3.12Å; E50-R62 IonicContact OE1-CZ 2.73Å; E50-R62 IonicContact OE1-NE 2.74Å; E50-R62 IonicContact OE1-NH2 2.72Å; E50-R62 PolarHBondContact OE1-NH2 3.13Å; E50-R362 PolarHBondContact O-NH2 2.9Å; E50-H364 PolarHBondContact O-CE1 3.05Å; E50-H364 PolarHBondContact O-ND1 2.91Å
51D87.6Confident91.6Very high0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-80.8133158.3179.716.1000107.5P59 I60 A61 I63 D121 P209 L210D51-P59 CarbonylContact O-C 3.49Å; D51-P59 VanDerWaalsContact O-CA 3.29Å; D51-P59 WeakPolarHBondContact O-CA 3.42Å; D51-I60 PolarHBondContact O-N 2.82Å; D51-A61 PolarHBondContact N-O 3.47Å; D51-A61 PolarHBondContact O-N 3.07Å; D51-I63 HydrophobicContact CB-CG1 4.21Å; D51-D121 WeakPolarHBondContact OD2-CB 3.43Å; D51-P209 HydrophobicContact CB-CG 4.47Å; D51-L210 WeakPolarHBondContact OD2-CD1 3.35Å; D51-L210 VanDerWaalsContact OD2-CG 3.22Å; D51-L210 WeakPolarHBondContact OD2-CG 3.48Å
52I87.8Confident91.4Very high30 Ų3051.5 Ų51.515%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-132.9130-169.5-53.5170.8000107.4E50 E57 K58 R362E50-I52 HydrophobicContact CB-CD1 4.44Å; E50-I52 HydrophobicContact CB-CG1 4.01Å; I52-E57 VanDerWaalsContact CG2-O 3.3Å; I52-E57 WeakPolarHBondContact CG2-O 3.39Å; I52-K58 WeakPolarHBondContact CA-O 3.46Å; I52-K58 WeakPolarHBondContact CG2-O 3.49Å; I52-R362 VanDerWaalsContact CB-CZ 3.5Å; I52-R362 VanDerWaalsContact CB-NH2 3.33Å; I52-R362 VanDerWaalsContact N-NH2 3.12Å; I52-R362 PolarHBondContact O-NE 3.09Å; I52-R362 VanDerWaalsContact O-NE 3.09Å
53S89Confident91.2Very high9 Ų947.7 Ų47.76%0.06326%0.257CS..  trans-70131.3-177.6-172.30000111.4V55 E57 K58 K120S53-V55 PolarHBondContact O-N 3.38Å; S53-V55 PolarHBondContact OG-N 2.96Å; S53-E57 VanDerWaalsContact O-CA 3.3Å; S53-E57 WeakPolarHBondContact O-CA 3.45Å; S53-E57 PolarHBondContact O-N 3.5Å; S53-K58 PolarHBondContact N-O 3.48Å; S53-K120 PolarHBondContact OG-O 3.19Å
54P91.4Very high91.2Very high0 Ų048.6 Ų48.60%026%0.26CS..THydrogen-bonded Turntrans-70.2-11.2173.828.9-34.8000113.5K120 D121 P359 Q360 G405 Y406P54-K120 WeakPolarHBondContact CD-O 3.45Å; P54-D121 VanDerWaalsContact CD-O 3.26Å; P54-D121 WeakPolarHBondContact CD-O 3.22Å; P54-P359 HydrophobicContact CB-CB 4.09Å; P54-P359 HydrophobicContact CB-CG 3.77Å; P54-P359 HydrophobicContact CG-CG 3.85Å; P54-P359 WeakPolarHBondContact O-CB 3.25Å; P54-Q360 WeakPolarHBondContact CB-O 3.46Å; P54-G405 WeakPolarHBondContact O-CA 3.47Å; P54-Y406 HydrophobicContact CB-CD2 3.71Å; P54-Y406 HydrophobicContact CB-CE2 4.38Å; P54-Y406 WeakPolarHBondContact O-CD2 3.3Å; P54-Y406 PolarHBondContact O-N 3.31Å
55V90.2Very high91.1Very high28 Ų2846 Ų4617%0.1724%0.243CC..THydrogen-bonded Turntrans-75-42-178.4177.80000111.5S53 P350 P359 G405 F407S53-V55 PolarHBondContact O-N 3.38Å; S53-V55 PolarHBondContact OG-N 2.96Å; V55-P350 HydrophobicContact CG2-CG 3.63Å; V55-P359 HydrophobicContact CG2-CG 3.85Å; V55-G405 WeakPolarHBondContact O-CA 3.12Å; V55-F407 HydrophobicContact CG1-CZ 4.23Å; V55-F407 WeakPolarHBondContact O-CE2 3.4Å
56N88.3Confident91.2Very high50 Ų5043.5 Ų43.527%0.26723%0.225SC..THydrogen-bonded Turntrans-139.77.8-171.664.115.4000114K58N56-K58 PolarHBondContact O-N 3.32Å; N56-K58 VanDerWaalsContact O-N 3.09Å; N56-K58 WeakPolarHBondContact OD1-CB 3.14Å; N56-K58 PolarHBondContact OD1-N 3.42Å
57E88.5Confident91.3Very high69 Ų6943 Ų4332%0.32221%0.21SC..SBendtrans62.119.2176.3-51.2177.1-144.400113.7I52 S53 G405 Y406I52-E57 VanDerWaalsContact CG2-O 3.3Å; I52-E57 WeakPolarHBondContact CG2-O 3.39Å; S53-E57 VanDerWaalsContact O-CA 3.3Å; S53-E57 WeakPolarHBondContact O-CA 3.45Å; S53-E57 PolarHBondContact O-N 3.5Å; E57-G405 PolarHBondContact OE1-N 3.02Å; E57-Y406 HydrophobicContact CG-CE2 4Å
58K87Confident91.4Very high119 Ų11944 Ų4452%0.51722%0.215SC..  trans-99.6144.7178.4-64.1173.7-172.61710111.9I52 S53 N56 I60I52-K58 WeakPolarHBondContact CA-O 3.46Å; I52-K58 WeakPolarHBondContact CG2-O 3.49Å; S53-K58 PolarHBondContact N-O 3.48Å; N56-K58 PolarHBondContact O-N 3.32Å; N56-K58 VanDerWaalsContact O-N 3.09Å; N56-K58 WeakPolarHBondContact OD1-CB 3.14Å; N56-K58 PolarHBondContact OD1-N 3.42Å; K58-I60 PolarHBondContact O-N 2.98Å
59P86.4Confident91.6Very high76 Ų7644.2 Ų44.249%0.49422%0.217SC..EExtended strand (participates in β ladder)trans-57130.7173.5-25.935.4000112.4E50 D51E50-P59 HydrophobicContact CB-CB 4.41Å; E50-P59 WeakPolarHBondContact OE2-CG 3.33Å; D51-P59 CarbonylContact O-C 3.49Å; D51-P59 VanDerWaalsContact O-CA 3.29Å; D51-P59 WeakPolarHBondContact O-CA 3.42Å
60I87.2Confident91.9Very high53 Ų5343.8 Ų43.827%0.27222%0.215SC..EExtended strand (participates in β ladder)trans-87.3-48.5171.2-58.2162.4000109.6D51 K58 K120 D121 L210D51-I60 PolarHBondContact O-N 2.82Å; K58-I60 PolarHBondContact O-N 2.98Å; I60-K120 HydrophobicContact CD1-CB 4.04Å; I60-K120 WeakPolarHBondContact CD1-O 3.4Å; I60-K120 HydrophobicContact CG2-CD 4.39Å; I60-D121 HydrophobicContact CD1-CB 3.81Å; I60-L210 HydrophobicContact CG2-CD1 3.87Å
61A88.3Confident92.3Very high12 Ų1240.6 Ų40.610%0.09920%0.2CC..EExtended strand (participates in β ladder)trans-153.5163.3-174.500000110.9F32 E50 D51 I63 L210F32-A61 HydrophobicContact CD1-CB 3.79Å; F32-A61 HydrophobicContact CE1-CB 3.52Å; F32-A61 HydrophobicContact CZ-CB 4.04Å; E50-A61 CarbonylContact C-O 3.52Å; E50-A61 WeakPolarHBondContact CA-O 3.12Å; D51-A61 PolarHBondContact N-O 3.47Å; D51-A61 PolarHBondContact O-N 3.07Å; A61-I63 HydrophobicContact CB-CD1 3.85Å; A61-L210 HydrophobicContact CB-CD2 4.12Å
62R90.1Very high92.9Very high145 Ų14542.6 Ų42.655%0.54721%0.211SC..EExtended strand (participates in β ladder)trans-114.8113.5173.4180172.4-68171.51.6108.9F32 T48 F49 E50F32-R62 WeakPolarHBondContact CB-O 3.32Å; T48-R62 HydrophobicContact CG2-CG 4.05Å; T48-R62 VanDerWaalsContact OG1-CD 3.31Å; T48-R62 WeakPolarHBondContact OG1-CD 3.5Å; T48-R62 WeakPolarHBondContact OG1-CG 3.49Å; F49-R62 CarbonylContact O-C 3.5Å; F49-R62 WeakPolarHBondContact O-CA 3.4Å; E50-R62 IonicContact OE1-CZ 2.73Å; E50-R62 IonicContact OE1-NE 2.74Å; E50-R62 IonicContact OE1-NH2 2.72Å; E50-R62 PolarHBondContact OE1-NH2 3.13Å
63I92.8Very high93.4Very high0 Ų046.7 Ų46.70%023%0.227CC..EExtended strand (participates in β ladder)trans-104.3137.6-167.7-49.8-59.7000109.9F32 T48 F49 D51 A61 E65 P209 L210 L213 P238F32-I63 HydrophobicContact CB-CD1 4.05Å; F32-I63 HydrophobicContact CD1-CD1 3.64Å; F32-I63 HydrophobicContact CG-CD1 4.2Å; T48-I63 CarbonylContact C-O 3.57Å; T48-I63 WeakPolarHBondContact CA-O 3.49Å; T48-I63 VanDerWaalsContact CB-O 3.24Å; T48-I63 WeakPolarHBondContact CB-O 3.14Å; F49-I63 HydrophobicContact CD1-CB 4.42Å; F49-I63 HydrophobicContact CD2-CB 4.48Å; F49-I63 HydrophobicContact CE1-CB 3.94Å; F49-I63 HydrophobicContact CE1-CG2 3.92Å; F49-I63 HydrophobicContact CE2-CB 4Å; F49-I63 HydrophobicContact CE2-CG1 4.25Å; F49-I63 HydrophobicContact CE2-CG2 4.45Å; F49-I63 HydrophobicContact CZ-CB 3.71Å; F49-I63 HydrophobicContact CZ-CG1 4.34Å; F49-I63 HydrophobicContact CZ-CG2 3.72Å; F49-I63 PolarHBondContact N-O 3.16Å; F49-I63 PolarHBondContact O-N 3.24Å; D51-I63 HydrophobicContact CB-CG1 4.21Å; A61-I63 HydrophobicContact CB-CD1 3.85Å; I63-E65 PolarHBondContact O-N 3.48Å; I63-P209 HydrophobicContact CD1-CG 4.33Å; I63-P209 HydrophobicContact CG1-CG 3.87Å; I63-P209 HydrophobicContact CG2-CB 4.5Å; I63-P209 HydrophobicContact CG2-CG 4.46Å; I63-L210 HydrophobicContact CD1-CD2 3.92Å; I63-L213 HydrophobicContact CD1-CD1 4.37Å; I63-L213 HydrophobicContact CG2-CD1 3.97Å; I63-P238 HydrophobicContact CG2-CB 3.67Å; I63-P238 HydrophobicContact CG2-CG 3.69Å
64Q96.7Very high93.8Very high27 Ų2746.2 Ų46.213%0.12622%0.224CC..EExtended strand (participates in β ladder)trans-59.1129.5171.8-72.3-68.4-34.600110.4F32 K33 L34 S43 K47 G66F32-Q64 WeakPolarHBondContact O-CB 3.29Å; F32-Q64 WeakPolarHBondContact O-CG 3.08Å; F32-Q64 PolarHBondContact O-N 2.83Å; K33-Q64 HydrophobicContact CB-CG 4.45Å; K33-Q64 HydrophobicContact CG-CG 4.28Å; L34-Q64 HydrophobicContact CD2-CB 4Å; L34-Q64 HydrophobicContact CG-CB 4.26Å; S43-Q64 PolarHBondContact OG-OE1 2.86Å; K47-Q64 PolarHBondContact O-OE1 3.2Å; Q64-G66 PolarHBondContact O-N 3.35Å
65E96.8Very high94.2Very high22 Ų2246.2 Ų46.210%0.10322%0.224CC..  trans-90.9100.7-179.1-169.9-177.5154.600109.7S43 K47 F49 I63 F240S43-E65 WeakPolarHBondContact CB-O 3.39Å; K47-E65 HydrophobicContact CB-CB 4.02Å; K47-E65 PolarHBondContact O-N 2.86Å; F49-E65 HydrophobicContact CD1-CB 3.94Å; F49-E65 HydrophobicContact CD1-CG 4.12Å; I63-E65 PolarHBondContact O-N 3.48Å; E65-F240 HydrophobicContact CG-CD2 4.01Å; E65-F240 HydrophobicContact CG-CE2 4.09Å; E65-F240 WeakPolarHBondContact OE1-CD2 3.43Å
66G97.9Very high94.6Very high0 Ų049 Ų490%024%0.238CC..  trans-65.6133.7171.300000111Q64 P238 A244Q64-G66 PolarHBondContact O-N 3.35Å; G66-P238 VanDerWaalsContact CA-O 3.32Å; G66-P238 WeakPolarHBondContact CA-O 2.96Å; G66-P238 PolarHBondContact N-O 3.47Å; G66-A244 WeakPolarHBondContact O-CB 3.06Å
67E98.1Very high95.1Very high37 Ų3747.4 Ų47.417%0.17323%0.232CC..  trans-124-173173.5-69.7177126.200109.6S45 K47 P69 D70 V71S45-E67 WeakPolarHBondContact CB-OE2 3.24Å; S45-E67 PolarHBondContact OG-OE2 3.32Å; K47-E67 IonicContact NZ-OE1 3.36Å; K47-E67 PolarHBondContact NZ-OE1 3.46Å; K47-E67 IonicContact NZ-OE2 3.43Å; E67-P69 VanDerWaalsContact C-CD 3.46Å; E67-D70 PolarHBondContact N-OD2 2.61Å; E67-D70 VanDerWaalsContact N-OD2 3.08Å; E67-D70 PolarHBondContact O-N 2.96Å; E67-V71 PolarHBondContact O-N 3.08Å; E67-V71 VanDerWaalsContact O-N 3.08Å
68K98.4Very high95.6Very high114 Ų11444.1 Ų44.150%0.49622%0.217SC..Hα-helixtrans-49.1-46.5-178.5-172.9-166.4-177.3-44.40113.6D70 V71 D72 A247K68-D70 PolarHBondContact O-N 2.87Å; K68-V71 WeakPolarHBondContact O-CB 3.25Å; K68-V71 PolarHBondContact O-N 3.27Å; K68-V71 VanDerWaalsContact O-N 3.16Å; K68-D72 IonicContact NZ-OD1 3.65Å; K68-D72 PolarHBondContact NZ-OD1 3.08Å; K68-D72 IonicContact NZ-OD2 2.87Å; K68-D72 PolarHBondContact NZ-OD2 3.26Å; K68-D72 PolarHBondContact O-N 2.94Å; K68-A247 HydrophobicContact CB-CB 3.93Å; K68-A247 HydrophobicContact CG-CB 3.97Å
69P98.7Very high96.1Very high60 Ų6041.5 Ų41.539%0.3920%0.203SC..Hα-helixtrans-61.3-31-179.3-24.336.1000113.9V44 E67 K73V44-P69 HydrophobicContact CB-CB 4.1Å; V44-P69 HydrophobicContact CG1-CB 4.08Å; V44-P69 HydrophobicContact CG2-CB 4.12Å; E67-P69 VanDerWaalsContact C-CD 3.46Å; P69-K73 WeakPolarHBondContact O-CG 3.34Å; P69-K73 PolarHBondContact O-N 3.06Å
70D98.8Very high96.7Very high1 Ų141.8 Ų41.81%0.00521%0.207CC..Hα-helixtrans-75.9-38.6176.9-55.8-68000111.6L34 V44 E67 K68 D72 K73 A74 I237L34-D70 HydrophobicContact CD1-CB 3.54Å; L34-D70 VanDerWaalsContact CD1-CG 3.43Å; L34-D70 WeakPolarHBondContact CD1-OD1 3.36Å; V44-D70 WeakPolarHBondContact CG2-OD1 3.23Å; V44-D70 PolarHBondContact N-OD1 2.97Å; E67-D70 PolarHBondContact N-OD2 2.61Å; E67-D70 VanDerWaalsContact N-OD2 3.08Å; E67-D70 PolarHBondContact O-N 2.96Å; K68-D70 PolarHBondContact O-N 2.87Å; D70-D72 VanDerWaalsContact C-N 3.33Å; D70-K73 PolarHBondContact O-N 3.22Å; D70-A74 WeakPolarHBondContact O-CB 3.3Å; D70-A74 PolarHBondContact O-N 2.98Å; D70-I237 HydrophobicContact CB-CG2 4.43Å
71V98.8Very high97.2Very high1 Ų139.6 Ų39.61%0.00620%0.197CC..Hα-helixtrans-58.6-46.8170.9172.70000110.3E67 K68 K73 A74 V75 I237 A244 A247 L248E67-V71 PolarHBondContact O-N 3.08Å; E67-V71 VanDerWaalsContact O-N 3.08Å; K68-V71 WeakPolarHBondContact O-CB 3.25Å; K68-V71 PolarHBondContact O-N 3.27Å; K68-V71 VanDerWaalsContact O-N 3.16Å; V71-K73 VanDerWaalsContact C-N 3.32Å; V71-K73 PolarHBondContact O-N 3.03Å; V71-A74 PolarHBondContact O-N 3.43Å; V71-A74 VanDerWaalsContact O-N 3.15Å; V71-V75 HydrophobicContact CG1-CG2 4.19Å; V71-V75 WeakPolarHBondContact O-CG2 3.14Å; V71-V75 PolarHBondContact O-N 3.01Å; V71-I237 HydrophobicContact CG2-CG2 4.28Å; V71-A244 HydrophobicContact CG2-CB 4.37Å; V71-A247 HydrophobicContact CB-CB 4.33Å; V71-A247 HydrophobicContact CG1-CB 4.38Å; V71-A247 HydrophobicContact CG2-CB 4.19Å; V71-L248 HydrophobicContact CG1-CB 4.1Å; V71-L248 HydrophobicContact CG1-CD1 3.85Å
72D98.8Very high97.7Very high42 Ų4240.1 Ų40.123%0.22520%0.197CC..Hα-helixtrans-58.9-43.6178.4-62.2-14.2000110.7K68 D70 V75 N76 H251K68-D72 IonicContact NZ-OD1 3.65Å; K68-D72 PolarHBondContact NZ-OD1 3.08Å; K68-D72 IonicContact NZ-OD2 2.87Å; K68-D72 PolarHBondContact NZ-OD2 3.26Å; K68-D72 PolarHBondContact O-N 2.94Å; D70-D72 VanDerWaalsContact C-N 3.33Å; D72-V75 PolarHBondContact O-N 3.09Å; D72-N76 WeakPolarHBondContact O-CB 3.34Å; D72-N76 PolarHBondContact O-N 3.44Å; D72-N76 PolarHBondContact O-ND2 3.45Å; D72-N76 VanDerWaalsContact O-ND2 3.13Å; D72-H251 IonicContact OD1-CD2 3.62Å; D72-H251 PolarHBondContact OD1-CD2 3.41Å; D72-H251 IonicContact OD1-NE2 2.8Å; D72-H251 PolarHBondContact OD1-NE2 3.4Å
73K98.8Very high98.1Very high115 Ų11537.1 Ų37.150%0.520%0.195SC..Hα-helixtrans-61.5-44174.7-74.4176.4179.3-176.80112.7I36 V44 P69 D70 V71 N76 A77I36-K73 HydrophobicContact CD1-CB 4.36Å; V44-K73 HydrophobicContact CG2-CD 4.16Å; P69-K73 WeakPolarHBondContact O-CG 3.34Å; P69-K73 PolarHBondContact O-N 3.06Å; D70-K73 PolarHBondContact O-N 3.22Å; V71-K73 VanDerWaalsContact C-N 3.32Å; V71-K73 PolarHBondContact O-N 3.03Å; K73-N76 PolarHBondContact O-N 2.86Å; K73-A77 PolarHBondContact O-N 3.04Å
74A98.8Very high98.2Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-66.9-42.1179.900000112.3I36 D70 V71 A77 A78 V201 N235 I237I36-A74 HydrophobicContact CD1-CB 4.36Å; I36-A74 HydrophobicContact CG1-CB 4.36Å; I36-A74 HydrophobicContact CG2-CB 4.49Å; D70-A74 WeakPolarHBondContact O-CB 3.3Å; D70-A74 PolarHBondContact O-N 2.98Å; V71-A74 PolarHBondContact O-N 3.43Å; V71-A74 VanDerWaalsContact O-N 3.15Å; A74-A77 PolarHBondContact O-N 2.76Å; A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 2.95Å; A74-V201 HydrophobicContact CB-CG1 3.78Å; A74-V201 HydrophobicContact CB-CG2 4.14Å; A74-N235 HydrophobicContact CB-CB 3.93Å; A74-I237 HydrophobicContact CB-CD1 3.93Å; A74-I237 HydrophobicContact CB-CG1 3.93Å
75V98.9Very high98.2Very high0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-65.5-41.6176.3174.70000110.7V71 D72 A77 A78 R79 V172 V201 L248 D253 V254V71-V75 HydrophobicContact CG1-CG2 4.19Å; V71-V75 WeakPolarHBondContact O-CG2 3.14Å; V71-V75 PolarHBondContact O-N 3.01Å; D72-V75 PolarHBondContact O-N 3.09Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.4Å; V75-A78 PolarHBondContact O-N 3.34Å; V75-R79 HydrophobicContact CG1-CG 4.38Å; V75-R79 WeakPolarHBondContact O-CB 3.49Å; V75-R79 WeakPolarHBondContact O-CG 3.19Å; V75-R79 PolarHBondContact O-N 3.49Å; V75-V172 HydrophobicContact CG1-CG1 4.47Å; V75-V201 HydrophobicContact CG2-CG2 4.06Å; V75-L248 HydrophobicContact CG2-CD1 4.1Å; V75-D253 HydrophobicContact CG1-CB 3.77Å; V75-V254 HydrophobicContact CG1-CG2 4.3Å; V75-V254 HydrophobicContact CG2-CG2 3.84Å
76N98.8Very high98.2Very high86 Ų8646.8 Ų46.846%0.4625%0.246SC..Hα-helixtrans-61-40.4174.6-74.4-25.7000112.5D72 K73 S80D72-N76 WeakPolarHBondContact O-CB 3.34Å; D72-N76 PolarHBondContact O-N 3.44Å; D72-N76 PolarHBondContact O-ND2 3.45Å; D72-N76 VanDerWaalsContact O-ND2 3.13Å; K73-N76 PolarHBondContact O-N 2.86Å; N76-S80 WeakPolarHBondContact O-CB 3.34Å; N76-S80 PolarHBondContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 2.91Å
77A98.7Very high98Very high17 Ų1751.1 Ų51.114%0.1427%0.274CS..Hα-helixtrans-63.9-44.117400000111.8I36 A37 K73 A74 V75 S80 A81I36-A77 HydrophobicContact CG2-CB 4.23Å; A37-A77 HydrophobicContact CB-CB 4.06Å; K73-A77 PolarHBondContact O-N 3.04Å; A74-A77 PolarHBondContact O-N 2.76Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.4Å; A77-S80 PolarHBondContact O-N 2.71Å; A77-A81 PolarHBondContact O-N 3.48Å
78A98.8Very high97.9Very high0 Ų049.5 Ų49.50%027%0.267CS..Hα-helixtrans-62.9-43.4176.500000112.5A74 V75 S80 A81 F82 V172 T199 V201 G232A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 2.95Å; V75-A78 PolarHBondContact O-N 3.34Å; A78-S80 PolarHBondContact O-N 2.95Å; A78-A81 WeakPolarHBondContact O-CB 3.29Å; A78-A81 PolarHBondContact O-N 3.34Å; A78-F82 WeakPolarHBondContact O-CB 3.33Å; A78-F82 PolarHBondContact O-N 3.28Å; A78-V172 HydrophobicContact CB-CG1 3.75Å; A78-V172 HydrophobicContact CB-CG2 4.03Å; A78-T199 PolarHBondContact O-OG1 3.47Å; A78-V201 HydrophobicContact CB-CG2 4Å; A78-G232 VanDerWaalsContact CA-O 3.25Å; A78-G232 WeakPolarHBondContact CA-O 3.47Å
79R98.6Very high97.8Very high63 Ų6347.6 Ų47.624%0.23826%0.256CS..Hα-helixtrans-60-44.6173.8-79.4-64.5-169.7-1625.7112.5V75 A81 F82 T83 V172 D253 D255V75-R79 HydrophobicContact CG1-CG 4.38Å; V75-R79 WeakPolarHBondContact O-CB 3.49Å; V75-R79 WeakPolarHBondContact O-CG 3.19Å; V75-R79 PolarHBondContact O-N 3.49Å; R79-A81 VanDerWaalsContact C-N 3.32Å; R79-A81 PolarHBondContact O-N 3.45Å; R79-F82 CarbonylContact O-C 3.4Å; R79-F82 PolarHBondContact O-N 2.94Å; R79-F82 VanDerWaalsContact O-N 3.08Å; R79-T83 PolarHBondContact O-N 3.39Å; R79-T83 PolarHBondContact O-OG1 2.82Å; R79-V172 HydrophobicContact CB-CG2 4.49Å; R79-V172 HydrophobicContact CG-CG2 3.87Å; R79-D253 HydrophobicContact CG-CB 4.3Å; R79-D253 PolarHBondContact NE-O 3.26Å; R79-D253 VanDerWaalsContact NH2-C 3.32Å; R79-D253 PolarHBondContact NH2-O 3.41Å; R79-D255 IonicContact CZ-OD1 3.35Å; R79-D255 IonicContact CZ-OD2 3.54Å; R79-D255 VanDerWaalsContact NH1-CG 3.27Å; R79-D255 IonicContact NH1-OD1 2.64Å; R79-D255 PolarHBondContact NH1-OD1 3.03Å; R79-D255 VanDerWaalsContact NH1-OD1 3.11Å; R79-D255 IonicContact NH1-OD2 2.71Å; R79-D255 PolarHBondContact NH1-OD2 2.85Å; R79-D255 IonicContact NH2-OD1 3.5Å; R79-D255 PolarHBondContact NH2-OD1 2.92Å; R79-D255 IonicContact NH2-OD2 3.34Å
80S98.5Very high97.6Very high82 Ų8251.8 Ų51.857%0.57327%0.268SS*.Hα-helixtrans-61.3-43.7176.9-59.10000110.9N76 A77 A78 F82 T83N76-S80 WeakPolarHBondContact O-CB 3.34Å; N76-S80 PolarHBondContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 2.91Å; A77-S80 PolarHBondContact O-N 2.71Å; A78-S80 PolarHBondContact O-N 2.95Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 2.77Å; S80-T83 PolarHBondContact O-N 3.47Å
81A97.9Very high97.5Very high7 Ų753.2 Ų53.26%0.05828%0.275CS..Hα-helixtrans-63.8-33.6173.800000112.5A77 A78 R79 S86 W88 T199 P231 V233A77-A81 PolarHBondContact O-N 3.48Å; A78-A81 WeakPolarHBondContact O-CB 3.29Å; A78-A81 PolarHBondContact O-N 3.34Å; R79-A81 VanDerWaalsContact C-N 3.32Å; R79-A81 PolarHBondContact O-N 3.45Å; A81-S86 WeakPolarHBondContact O-CB 3.43Å; A81-S86 PolarHBondContact O-OG 3.15Å; A81-W88 WeakPolarHBondContact O-CB 3.48Å; A81-T199 HydrophobicContact CB-CG2 3.92Å; A81-P231 WeakPolarHBondContact CB-O 3.32Å; A81-V233 HydrophobicContact CB-CG2 3.99Å
82F98.4Very high97.3Very high23 Ų2355.3 Ų55.310%0.10129%0.293CS..Hα-helixtrans-86.2-6.1-179.4-166.9-106.6000115.1A78 R79 S80 R89 P169 G171 V172 T199A78-F82 WeakPolarHBondContact O-CB 3.33Å; A78-F82 PolarHBondContact O-N 3.28Å; R79-F82 CarbonylContact O-C 3.4Å; R79-F82 PolarHBondContact O-N 2.94Å; R79-F82 VanDerWaalsContact O-N 3.08Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 2.77Å; F82-R89 VanDerWaalsContact CE1-NH1 3.33Å; F82-R89 VanDerWaalsContact CZ-NH1 3.35Å; F82-R89 VanDerWaalsContact O-CD 3.29Å; F82-R89 WeakPolarHBondContact O-CD 3.48Å; F82-R89 WeakPolarHBondContact O-CG 3.41Å; F82-R89 PolarHBondContact O-NH1 3.34Å; F82-P169 HydrophobicContact CE2-CB 3.96Å; F82-P169 HydrophobicContact CE2-CG 3.8Å; F82-P169 HydrophobicContact CZ-CB 4.29Å; F82-P169 HydrophobicContact CZ-CG 4.06Å; F82-G171 VanDerWaalsContact CE1-CA 3.41Å; F82-V172 HydrophobicContact CB-CG2 4.47Å; F82-T199 HydrophobicContact CB-CG2 3.97Å; F82-T199 HydrophobicContact CD2-CG2 4.37Å
83T97.9Very high97.2Very high83 Ų8354.8 Ų54.851%0.50929%0.294SS..SBendtrans-62141.1-178.8-61.20000111.6R79 S80 G85 S86 R89R79-T83 PolarHBondContact O-N 3.39Å; R79-T83 PolarHBondContact O-OG1 2.82Å; S80-T83 PolarHBondContact O-N 3.47Å; T83-G85 PolarHBondContact O-N 2.86Å; T83-S86 WeakPolarHBondContact O-CB 3.31Å; T83-S86 PolarHBondContact O-N 2.85Å; T83-S86 PolarHBondContact O-OG 3.34Å; T83-S86 VanDerWaalsContact O-OG 3.09Å; T83-R89 WeakPolarHBondContact O-CG 3.45Å
84R96Very high97.1Very high191 Ų19152.6 Ų52.672%0.72129%0.293SS*.THydrogen-bonded Turntrans-53.8135.8177.3-71.9-176.6177.5-103.7-0.9110.5S86R84-S86 PolarHBondContact O-N 2.76Å
85G95.5Very high96.9Very high46 Ų4657.7 Ų57.747%0.47432%0.317SS..THydrogen-bonded Turntrans80.7-4.7-178.400000115.1T83 K90T83-G85 PolarHBondContact O-N 2.86Å; G85-K90 WeakPolarHBondContact O-CD 3.2Å; G85-K90 WeakPolarHBondContact O-CE 3.42Å; G85-K90 PolarHBondContact O-NZ 3.08Å
86S96.4Very high96.7Very high14 Ų1459.2 Ų59.210%0.09832%0.323CS..SBendtrans-61.8158.5171.1790000111.5A81 T83 R84 W88 R89 K90A81-S86 WeakPolarHBondContact O-CB 3.43Å; A81-S86 PolarHBondContact O-OG 3.15Å; T83-S86 WeakPolarHBondContact O-CB 3.31Å; T83-S86 PolarHBondContact O-N 2.85Å; T83-S86 PolarHBondContact O-OG 3.34Å; T83-S86 VanDerWaalsContact O-OG 3.09Å; R84-S86 PolarHBondContact O-N 2.76Å; S86-W88 PolarHBondContact O-N 3.08Å; S86-W88 PolarHBondContact OG-N 3Å; S86-R89 PolarHBondContact O-N 3.04Å; S86-R89 WeakPolarHBondContact OG-CG 3.28Å; S86-R89 PolarHBondContact OG-N 3.49Å; S86-R89 VanDerWaalsContact OG-N 3.08Å; S86-K90 WeakPolarHBondContact O-CG 3.48Å; S86-K90 PolarHBondContact O-N 2.94Å
87P95.3Very high96.6Very high91 Ų9155.2 Ų55.259%0.59130%0.302SS*.Hα-helixtrans-53.5-39.3174.1-27.836.4000113.3M91 P230P87-M91 PolarHBondContact O-N 3.27Å; P87-P230 HydrophobicContact CB-CB 4.44Å; P87-P230 HydrophobicContact CB-CG 3.91Å
88W96.1Very high96.4Very high4 Ų457 Ų572%0.01532%0.317CS..Hα-helixtrans-69-42.7178.8-178.4-116.5000112.3A81 S86 K90 M91 R96 I99 L194 G197 C198 L229 P230 V233A81-W88 WeakPolarHBondContact O-CB 3.48Å; S86-W88 PolarHBondContact O-N 3.08Å; S86-W88 PolarHBondContact OG-N 3Å; W88-K90 VanDerWaalsContact C-N 3.3Å; W88-K90 PolarHBondContact O-N 3.24Å; W88-M91 HydrophobicContact CE3-CE 4.08Å; W88-M91 HydrophobicContact CE3-SD 3.76Å; W88-M91 HydrophobicContact CZ3-CE 4.33Å; W88-M91 HydrophobicContact CZ3-SD 3.59Å; W88-M91 VanDerWaalsContact CZ3-SD 3.59Å; W88-M91 VanDerWaalsContact O-CB 3.29Å; W88-M91 WeakPolarHBondContact O-CB 3.24Å; W88-M91 PolarHBondContact O-N 3.46Å; W88-R96 HydrophobicContact CH2-CB 4.36Å; W88-R96 HydrophobicContact CH2-CG 3.77Å; W88-R96 HydrophobicContact CZ2-CG 4.38Å; W88-R96 HydrophobicContact CZ3-CG 3.96Å; W88-I99 HydrophobicContact CZ3-CD1 4.1Å; W88-L194 HydrophobicContact CH2-CB 4.33Å; W88-L194 HydrophobicContact CH2-CD2 4.13Å; W88-L194 HydrophobicContact CZ2-CB 4.39Å; W88-L194 HydrophobicContact CZ2-CD2 3.8Å; W88-G197 PolarHBondContact NE1-O 3.02Å; W88-C198 PolarHBondContact NE1-O 3.29Å; W88-C198 VanDerWaalsContact NE1-O 3.15Å; W88-L229 HydrophobicContact CE3-CD1 4.36Å; W88-L229 HydrophobicContact CH2-CD1 4.08Å; W88-L229 HydrophobicContact CZ3-CD1 3.74Å; W88-P230 HydrophobicContact CB-CB 4.37Å; W88-P230 HydrophobicContact CB-CG 4.04Å; W88-P230 HydrophobicContact CE3-CG 4.49Å; W88-V233 HydrophobicContact CB-CG2 3.88Å; W88-V233 HydrophobicContact CD2-CB 4.42Å; W88-V233 HydrophobicContact CD2-CG1 3.9Å; W88-V233 HydrophobicContact CD2-CG2 3.55Å; W88-V233 HydrophobicContact CE3-CG1 4.15Å; W88-V233 HydrophobicContact CE3-CG2 3.87Å; W88-V233 HydrophobicContact CG-CG2 3.56Å; W88-V233 HydrophobicContact CH2-CG1 3.89Å; W88-V233 HydrophobicContact CZ2-CG1 3.64Å; W88-V233 HydrophobicContact CZ3-CG1 4.15Å
89R95.9Very high96.2Very high73 Ų7357.2 Ų57.228%0.27532%0.318SS..Hα-helixtrans-70.4-24.2179.5-72.1-61.3-61.7-907.9114.2F82 T83 S86F82-R89 VanDerWaalsContact CE1-NH1 3.33Å; F82-R89 VanDerWaalsContact CZ-NH1 3.35Å; F82-R89 VanDerWaalsContact O-CD 3.29Å; F82-R89 WeakPolarHBondContact O-CD 3.48Å; F82-R89 WeakPolarHBondContact O-CG 3.41Å; F82-R89 PolarHBondContact O-NH1 3.34Å; T83-R89 WeakPolarHBondContact O-CG 3.45Å; S86-R89 PolarHBondContact O-N 3.04Å; S86-R89 WeakPolarHBondContact OG-CG 3.28Å; S86-R89 PolarHBondContact OG-N 3.49Å; S86-R89 VanDerWaalsContact OG-N 3.08Å
90K95Very high96.1Very high149 Ų14954.2 Ų54.265%0.64831%0.306SS*.Hα-helixtrans-89.7-9.4174.8-65.1-177.5-57.3-1570113G85 S86 W88 A92G85-K90 WeakPolarHBondContact O-CD 3.2Å; G85-K90 WeakPolarHBondContact O-CE 3.42Å; G85-K90 PolarHBondContact O-NZ 3.08Å; S86-K90 WeakPolarHBondContact O-CG 3.48Å; S86-K90 PolarHBondContact O-N 2.94Å; W88-K90 VanDerWaalsContact C-N 3.3Å; W88-K90 PolarHBondContact O-N 3.24Å; K90-A92 PolarHBondContact O-N 2.97Å
91M95.2Very high96Very high31 Ų3152.9 Ų52.915%0.15329%0.293CS..SBendtrans-66.8131.4-177.7-173174-70.600110.7P87 W88 Q95 R96 I99 P230P87-M91 PolarHBondContact O-N 3.27Å; W88-M91 HydrophobicContact CE3-CE 4.08Å; W88-M91 HydrophobicContact CE3-SD 3.76Å; W88-M91 HydrophobicContact CZ3-CE 4.33Å; W88-M91 HydrophobicContact CZ3-SD 3.59Å; W88-M91 VanDerWaalsContact CZ3-SD 3.59Å; W88-M91 VanDerWaalsContact O-CB 3.29Å; W88-M91 WeakPolarHBondContact O-CB 3.24Å; W88-M91 PolarHBondContact O-N 3.46Å; M91-Q95 HydrophobicContact CG-CB 3.69Å; M91-Q95 HydrophobicContact SD-CB 4.21Å; M91-R96 HydrophobicContact CG-CG 4.13Å; M91-R96 PolarHBondContact O-NH1 2.99Å; M91-R96 HydrophobicContact SD-CG 3.91Å; M91-I99 HydrophobicContact CE-CD1 4.04Å; M91-I99 HydrophobicContact SD-CD1 3.53Å; M91-I99 VanDerWaalsContact SD-CD1 3.53Å; M91-P230 HydrophobicContact CE-CG 4.33Å
92A95.4Very high95.9Very high45 Ų4555.4 Ų55.437%0.37230%0.303SS..  trans-65149177.200000110.8K90 S94 Q95 R96K90-A92 PolarHBondContact O-N 2.97Å; A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 2.99Å; A92-Q95 HydrophobicContact CB-CG 4.15Å; A92-Q95 WeakPolarHBondContact O-CB 3.47Å; A92-Q95 PolarHBondContact O-N 2.79Å; A92-Q95 VanDerWaalsContact O-N 3.07Å; A92-R96 PolarHBondContact O-N 2.93Å
93A96.3Very high95.8Very high30 Ų3054.4 Ų54.425%0.24830%0.298CS..Hα-helixtrans-60-39.1-178.900000113.1Q95 R96 G97 A147 D148A93-Q95 VanDerWaalsContact C-N 3.29Å; A93-Q95 PolarHBondContact O-N 2.94Å; A93-R96 WeakPolarHBondContact O-CB 3.29Å; A93-R96 PolarHBondContact O-N 2.77Å; A93-R96 VanDerWaalsContact O-N 3.16Å; A93-G97 PolarHBondContact O-N 3.03Å; A93-A147 WeakPolarHBondContact CB-O 3.33Å; A93-A147 WeakPolarHBondContact O-CB 3.23Å; A93-D148 HydrophobicContact CB-CB 4.05Å
94S96.2Very high95.7Very high69 Ų6950.5 Ų50.548%0.48327%0.274SS..Hα-helixtrans-62.8-32.9175.155.50000113A92 G97 A98A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 2.99Å; S94-G97 PolarHBondContact O-N 3.22Å; S94-A98 PolarHBondContact O-N 3.27Å
95Q95Very high95.7Very high107 Ų10745.8 Ų45.850%0.526%0.26SS..Hα-helixtrans-69.1-39.2174.4-66.1174.4-4500111.4M91 A92 A93 G97 A98 I99M91-Q95 HydrophobicContact CG-CB 3.69Å; M91-Q95 HydrophobicContact SD-CB 4.21Å; A92-Q95 HydrophobicContact CB-CG 4.15Å; A92-Q95 WeakPolarHBondContact O-CB 3.47Å; A92-Q95 PolarHBondContact O-N 2.79Å; A92-Q95 VanDerWaalsContact O-N 3.07Å; A93-Q95 VanDerWaalsContact C-N 3.29Å; A93-Q95 PolarHBondContact O-N 2.94Å; Q95-G97 VanDerWaalsContact C-N 3.27Å; Q95-G97 PolarHBondContact O-N 3.47Å; Q95-A98 PolarHBondContact O-N 2.82Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 2.95Å
96R95.5Very high95.7Very high33 Ų3344 Ų4413%0.12524%0.24CC..Hα-helixtrans-61-40171.1-58.2-163.9-54.9-85.90.3111.2W88 M91 A92 A93 A98 I99 L100 L194 C195W88-R96 HydrophobicContact CH2-CB 4.36Å; W88-R96 HydrophobicContact CH2-CG 3.77Å; W88-R96 HydrophobicContact CZ2-CG 4.38Å; W88-R96 HydrophobicContact CZ3-CG 3.96Å; M91-R96 HydrophobicContact CG-CG 4.13Å; M91-R96 PolarHBondContact O-NH1 2.99Å; M91-R96 HydrophobicContact SD-CG 3.91Å; A92-R96 PolarHBondContact O-N 2.93Å; A93-R96 WeakPolarHBondContact O-CB 3.29Å; A93-R96 PolarHBondContact O-N 2.77Å; A93-R96 VanDerWaalsContact O-N 3.16Å; R96-A98 PolarHBondContact O-N 3.43Å; R96-I99 WeakPolarHBondContact O-CB 3.46Å; R96-I99 PolarHBondContact O-N 3.29Å; R96-L100 PolarHBondContact O-N 3.4Å; R96-L100 VanDerWaalsContact O-N 3.1Å; R96-L194 VanDerWaalsContact CD-O 3.31Å; R96-L194 WeakPolarHBondContact CD-O 3.4Å; R96-L194 PolarHBondContact NE-O 2.82Å; R96-C195 PolarHBondContact NE-O 2.79Å; R96-C195 PolarHBondContact NH2-O 3.15Å
97G96.3Very high95.6Very high2 Ų243.3 Ų43.32%0.02124%0.235CC..Hα-helixtrans-58.7-44.8173.400000113.3A93 S94 Q95 I99 L100 N101 G144A93-G97 PolarHBondContact O-N 3.03Å; S94-G97 PolarHBondContact O-N 3.22Å; Q95-G97 VanDerWaalsContact C-N 3.27Å; Q95-G97 PolarHBondContact O-N 3.47Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; G97-L100 PolarHBondContact O-N 3.07Å; G97-N101 PolarHBondContact O-N 3.18Å; G97-N101 PolarHBondContact O-ND2 2.94Å; G97-G144 WeakPolarHBondContact CA-O 3.4Å
98A94.9Very high95.7Very high54 Ų5441.6 Ų41.645%0.44622%0.219SC..Hα-helixtrans-62.3-38.317600000112.8S94 Q95 R96 N101 K102S94-A98 PolarHBondContact O-N 3.27Å; Q95-A98 PolarHBondContact O-N 2.82Å; R96-A98 PolarHBondContact O-N 3.43Å; A98-N101 PolarHBondContact O-N 3.37Å; A98-K102 PolarHBondContact O-N 3.05Å
99I94.9Very high95.6Very high5 Ų546.7 Ų46.73%0.02624%0.238CC..Hα-helixtrans-61.1-49.4174.3-65.8167.2000110.5W88 M91 Q95 R96 G97 N101 K102 L103 Y222 L229W88-I99 HydrophobicContact CZ3-CD1 4.1Å; M91-I99 HydrophobicContact CE-CD1 4.04Å; M91-I99 HydrophobicContact SD-CD1 3.53Å; M91-I99 VanDerWaalsContact SD-CD1 3.53Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 2.95Å; R96-I99 WeakPolarHBondContact O-CB 3.46Å; R96-I99 PolarHBondContact O-N 3.29Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 2.84Å; I99-K102 PolarHBondContact O-N 3.32Å; I99-K102 VanDerWaalsContact O-N 3.17Å; I99-L103 HydrophobicContact CG2-CD1 4.03Å; I99-L103 HydrophobicContact CG2-CG 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 2.86Å; I99-Y222 HydrophobicContact CB-CE1 4.36Å; I99-Y222 HydrophobicContact CG1-CE1 3.82Å; I99-Y222 WeakPolarHBondContact CG1-OH 3.32Å; I99-Y222 HydrophobicContact CG2-CE1 4.01Å; I99-L229 HydrophobicContact CD1-CD1 4.4Å; I99-L229 HydrophobicContact CG2-CD1 4.29Å
100L96.6Very high95.4Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-60.4-42.6179.7-75.2171.1000112.1R96 G97 K102 L103 A104 L140 F143 L194 C195R96-L100 PolarHBondContact O-N 3.4Å; R96-L100 VanDerWaalsContact O-N 3.1Å; G97-L100 PolarHBondContact O-N 3.07Å; L100-K102 PolarHBondContact O-N 3.04Å; L100-L103 PolarHBondContact O-N 3.05Å; L100-A104 PolarHBondContact O-N 3.25Å; L100-L140 HydrophobicContact CD2-CD2 3.96Å; L100-F143 HydrophobicContact CD1-CB 4.1Å; L100-L194 HydrophobicContact CD1-CB 4.49Å; L100-L194 HydrophobicContact CD2-CB 4.2Å; L100-L194 HydrophobicContact CD2-CD1 4.23Å; L100-C195 HydrophobicContact CD1-CB 4.25Å
101N96.3Very high95.4Very high53 Ų5337.3 Ų37.328%0.28320%0.201SC..Hα-helixtrans-62.3-42174.8-75-37.8000111.9G97 A98 I99 A104 E105G97-N101 PolarHBondContact O-N 3.18Å; G97-N101 PolarHBondContact O-ND2 2.94Å; A98-N101 PolarHBondContact O-N 3.37Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 2.84Å; N101-A104 WeakPolarHBondContact O-CB 3.44Å; N101-A104 PolarHBondContact O-N 3.23Å; N101-E105 PolarHBondContact O-N 3.1Å; N101-E105 VanDerWaalsContact O-N 3.08Å
102K94.8Very high95.2Very high61 Ų6136 Ų3627%0.26520%0.195SC..Hα-helixtrans-68.1-37.3178.9-169.355.3172-175.10112.6A98 I99 L100 A104 E105 L106 Y222A98-K102 PolarHBondContact O-N 3.05Å; I99-K102 PolarHBondContact O-N 3.32Å; I99-K102 VanDerWaalsContact O-N 3.17Å; L100-K102 PolarHBondContact O-N 3.04Å; K102-A104 VanDerWaalsContact C-N 3.31Å; K102-A104 PolarHBondContact O-N 3Å; K102-E105 HydrophobicContact CD-CB 4.39Å; K102-E105 WeakPolarHBondContact CD-OE2 3.3Å; K102-E105 WeakPolarHBondContact CE-OE2 3.28Å; K102-E105 IonicContact NZ-OE2 2.74Å; K102-E105 PolarHBondContact NZ-OE2 3.5Å; K102-E105 PolarHBondContact O-N 3.33Å; K102-L106 WeakPolarHBondContact O-CG 3.35Å; K102-L106 PolarHBondContact O-N 2.85Å; K102-L106 VanDerWaalsContact O-N 3.07Å; K102-Y222 HydrophobicContact CB-CD2 3.92Å; K102-Y222 HydrophobicContact CB-CE2 3.62Å; K102-Y222 HydrophobicContact CG-CD2 3.4Å; K102-Y222 VanDerWaalsContact CG-CD2 3.4Å; K102-Y222 HydrophobicContact CG-CE2 3.44Å; K102-Y222 VanDerWaalsContact CG-CE2 3.44Å
103L95.6Very high95Very high2 Ų234.4 Ų34.41%0.0118%0.181CC..Hα-helixtrans-61.4-41.1172.4-70.3170.8000111I99 L100 E105 L106 L107 L140 F215 V219I99-L103 HydrophobicContact CG2-CD1 4.03Å; I99-L103 HydrophobicContact CG2-CG 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 2.86Å; L100-L103 PolarHBondContact O-N 3.05Å; L103-E105 PolarHBondContact O-N 3.41Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.33Å; L103-L107 PolarHBondContact O-N 3.4Å; L103-L140 HydrophobicContact CB-CD1 3.89Å; L103-F215 HydrophobicContact CD1-CZ 4.13Å; L103-V219 HydrophobicContact CD2-CG2 4.16Å
104A97.2Very high94.9Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-58.3-45.4174.400000112.4L100 N101 K102 L106 L107 E108 A137 L140 R141L100-A104 PolarHBondContact O-N 3.25Å; N101-A104 WeakPolarHBondContact O-CB 3.44Å; N101-A104 PolarHBondContact O-N 3.23Å; K102-A104 VanDerWaalsContact C-N 3.31Å; K102-A104 PolarHBondContact O-N 3Å; A104-L106 VanDerWaalsContact C-N 3.32Å; A104-L106 PolarHBondContact O-N 2.74Å; A104-L107 PolarHBondContact O-N 2.79Å; A104-E108 WeakPolarHBondContact O-CG 3.47Å; A104-E108 PolarHBondContact O-N 2.88Å; A104-E108 VanDerWaalsContact O-N 3.1Å; A104-A137 HydrophobicContact CB-CB 4.19Å; A104-A137 VanDerWaalsContact CB-O 3.31Å; A104-A137 WeakPolarHBondContact CB-O 3.12Å; A104-L140 HydrophobicContact CB-CB 4.08Å; A104-R141 HydrophobicContact CB-CB 4.25Å
105E96.3Very high94.8Very high92 Ų9229.7 Ų29.743%0.4315%0.146SC..Hα-helixtrans-60.3-40175.8-68.2172-161.200112.4N101 K102 L103 E108 R109N101-E105 PolarHBondContact O-N 3.1Å; N101-E105 VanDerWaalsContact O-N 3.08Å; K102-E105 HydrophobicContact CD-CB 4.39Å; K102-E105 WeakPolarHBondContact CD-OE2 3.3Å; K102-E105 WeakPolarHBondContact CE-OE2 3.28Å; K102-E105 IonicContact NZ-OE2 2.74Å; K102-E105 PolarHBondContact NZ-OE2 3.5Å; K102-E105 PolarHBondContact O-N 3.33Å; L103-E105 PolarHBondContact O-N 3.41Å; E105-E108 PolarHBondContact O-N 3.41Å; E105-R109 WeakPolarHBondContact O-CB 3.35Å; E105-R109 PolarHBondContact O-N 3.49Å
106L94.2Very high94.7Very high9 Ų925.2 Ų25.25%0.04713%0.126CC..Hα-helixtrans-66.7-37.1178.2-69.5173.5000112K102 L103 A104 D110 L218K102-L106 WeakPolarHBondContact O-CG 3.35Å; K102-L106 PolarHBondContact O-N 2.85Å; K102-L106 VanDerWaalsContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 3.45Å; A104-L106 VanDerWaalsContact C-N 3.32Å; A104-L106 PolarHBondContact O-N 2.74Å; L106-D110 PolarHBondContact O-N 3.02Å; L106-D110 VanDerWaalsContact O-N 3.16Å; L106-L218 HydrophobicContact CB-CD1 4.33Å; L106-L218 HydrophobicContact CB-CD2 4.3Å; L106-L218 HydrophobicContact CD1-CB 4.46Å
107L95.6Very high94.5Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-62.2-46.8173-65.8-172.4000111.7L103 A104 R109 D110 V111 L114 I133 A136 A137 L140 L183 F215 L218L103-L107 WeakPolarHBondContact O-CG 3.33Å; L103-L107 PolarHBondContact O-N 3.4Å; A104-L107 PolarHBondContact O-N 2.79Å; L107-R109 PolarHBondContact O-N 2.99Å; L107-D110 CarbonylContact O-C 3.59Å; L107-D110 PolarHBondContact O-N 3.19Å; L107-V111 PolarHBondContact O-N 3.18Å; L107-L114 HydrophobicContact CB-CD1 4.37Å; L107-L114 HydrophobicContact CD2-CD1 3.63Å; L107-I133 HydrophobicContact CB-CG2 4.34Å; L107-A136 HydrophobicContact CD1-CB 4.21Å; L107-A137 HydrophobicContact CB-CB 4.12Å; L107-A137 HydrophobicContact CD1-CB 4.43Å; L107-L140 HydrophobicContact CD1-CD1 3.7Å; L107-L140 HydrophobicContact CG-CD1 4.48Å; L107-L183 HydrophobicContact CD1-CD2 4.32Å; L107-L183 HydrophobicContact CD2-CD2 4.07Å; L107-F215 HydrophobicContact CD2-CD2 4.12Å; L107-L218 HydrophobicContact CD2-CD1 3.59Å
108E96.5Very high94.4Very high55 Ų5524.3 Ų24.326%0.25712%0.123SC..Hα-helixtrans-64.2-40.2179.7-70.9170.1166.500111.9A104 E105 D110 V111 F134 A137 R141A104-E108 WeakPolarHBondContact O-CG 3.47Å; A104-E108 PolarHBondContact O-N 2.88Å; A104-E108 VanDerWaalsContact O-N 3.1Å; E105-E108 PolarHBondContact O-N 3.41Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3.19Å; E108-V111 WeakPolarHBondContact O-CB 3.16Å; E108-V111 WeakPolarHBondContact O-CG1 3.36Å; E108-V111 PolarHBondContact O-N 3.06Å; E108-F134 HydrophobicContact CB-CE1 4.33Å; E108-F134 HydrophobicContact CG-CD1 3.95Å; E108-F134 HydrophobicContact CG-CE1 4Å; E108-A137 HydrophobicContact CG-CB 3.67Å; E108-R141 IonicContact OE1-CZ 3.78Å; E108-R141 VanDerWaalsContact OE1-CZ 3.24Å; E108-R141 IonicContact OE1-NH1 3.38Å; E108-R141 PolarHBondContact OE1-NH1 2.82Å; E108-R141 IonicContact OE1-NH2 3.8Å; E108-R141 PolarHBondContact OE1-NH2 2.88Å; E108-R141 IonicContact OE2-CZ 2.65Å; E108-R141 IonicContact OE2-NH2 2.89Å; E108-R141 PolarHBondContact OE2-NH2 2.98Å
109R93.6Very high94.3Very high111 Ų11121.7 Ų21.742%0.41910%0.101SC..Hα-helixtrans-58.5-41.9174.8-174.6-162.871.7-174.80.5112E105 L107 E221E105-R109 WeakPolarHBondContact O-CB 3.35Å; E105-R109 PolarHBondContact O-N 3.49Å; L107-R109 PolarHBondContact O-N 2.99Å; R109-E221 IonicContact CZ-OE1 3.9Å; R109-E221 IonicContact CZ-OE2 3.63Å; R109-E221 IonicContact NH1-OE1 3.95Å; R109-E221 PolarHBondContact NH1-OE1 2.91Å; R109-E221 IonicContact NH1-OE2 2.81Å; R109-E221 IonicContact NH2-OE1 3.65Å; R109-E221 PolarHBondContact NH2-OE1 2.99Å; R109-E221 IonicContact NH2-OE2 2.69Å; R109-E221 PolarHBondContact NH2-OE2 3.1Å
110D92.8Very high94.1Very high16 Ų1624.4 Ų24.49%0.08611%0.113CC..THydrogen-bonded Turntrans-99.216.9-173.6-72.97.1000113.4L106 L107 E108 A112 T113 L114 Y214 L218L106-D110 PolarHBondContact O-N 3.02Å; L106-D110 VanDerWaalsContact O-N 3.16Å; L107-D110 CarbonylContact O-C 3.59Å; L107-D110 PolarHBondContact O-N 3.19Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3.19Å; D110-A112 VanDerWaalsContact C-N 3.28Å; D110-A112 PolarHBondContact O-N 3.24Å; D110-A112 VanDerWaalsContact O-N 3.14Å; D110-T113 WeakPolarHBondContact O-CA 3.46Å; D110-T113 WeakPolarHBondContact O-CB 3.48Å; D110-T113 PolarHBondContact O-N 3.36Å; D110-L114 HydrophobicContact CB-CD1 4.35Å; D110-L114 PolarHBondContact O-N 3.29Å; D110-Y214 HydrophobicContact CB-CE1 3.99Å; D110-Y214 WeakPolarHBondContact OD2-CE1 3.33Å; D110-Y214 PolarHBondContact OD2-OH 2.83Å; D110-L218 WeakPolarHBondContact OD2-CD2 3.24Å
111V94.7Very high93.8Very high9 Ų924.5 Ų24.56%0.05511%0.114CC..Hα-helixtrans-48.9-44.8-177.668.30000113.4L15 L107 E108 T113 L114 A115 V130 I133 F134L15-V111 HydrophobicContact CD1-CG1 4.12Å; L15-V111 HydrophobicContact CD2-CG1 3.95Å; L107-V111 PolarHBondContact O-N 3.18Å; E108-V111 WeakPolarHBondContact O-CB 3.16Å; E108-V111 WeakPolarHBondContact O-CG1 3.36Å; E108-V111 PolarHBondContact O-N 3.06Å; V111-T113 VanDerWaalsContact C-N 3.29Å; V111-T113 PolarHBondContact O-N 3.09Å; V111-L114 PolarHBondContact O-N 2.75Å; V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.27Å; V111-V130 HydrophobicContact CG2-CG1 4.04Å; V111-I133 HydrophobicContact CB-CG2 4.35Å; V111-I133 HydrophobicContact CG2-CB 3.91Å; V111-I133 HydrophobicContact CG2-CG1 4.32Å; V111-I133 HydrophobicContact CG2-CG2 4.08Å; V111-F134 HydrophobicContact CB-CE2 4.39Å; V111-F134 HydrophobicContact CB-CZ 4.46Å; V111-F134 HydrophobicContact CG1-CE2 4.48Å; V111-F134 HydrophobicContact CG1-CZ 4.38Å; V111-F134 HydrophobicContact CG2-CD2 3.94Å; V111-F134 HydrophobicContact CG2-CE2 3.59Å; V111-F134 HydrophobicContact CG2-CZ 4.12Å
112A91.2Very high93.7Very high2 Ų222 Ų222%0.01710%0.1CC..Hα-helixtrans-62.1-39-179.900000112.1L15 K18 D110 T116L15-A112 HydrophobicContact CD2-CB 4.05Å; K18-A112 HydrophobicContact CB-CB 4.24Å; K18-A112 HydrophobicContact CD-CB 4.45Å; D110-A112 VanDerWaalsContact C-N 3.28Å; D110-A112 PolarHBondContact O-N 3.24Å; D110-A112 VanDerWaalsContact O-N 3.14Å; A112-T116 WeakPolarHBondContact O-CB 3.38Å; A112-T116 PolarHBondContact O-N 2.92Å; A112-T116 PolarHBondContact O-OG1 3.22Å
113T90.6Very high93.6Very high13 Ų1319.1 Ų19.18%0.089%0.088CC..Hα-helixtrans-71.8-51.4179.9-55.90000110.2Y28 D110 V111 A115 T116 L117 Y214Y28-T113 WeakPolarHBondContact OH-CG2 3.46Å; D110-T113 WeakPolarHBondContact O-CA 3.46Å; D110-T113 WeakPolarHBondContact O-CB 3.48Å; D110-T113 PolarHBondContact O-N 3.36Å; V111-T113 VanDerWaalsContact C-N 3.29Å; V111-T113 PolarHBondContact O-N 3.09Å; T113-A115 PolarHBondContact O-N 3.1Å; T113-T116 WeakPolarHBondContact O-CB 3.46Å; T113-T116 PolarHBondContact O-N 2.85Å; T113-L117 WeakPolarHBondContact O-CG 3.38Å; T113-L117 PolarHBondContact O-N 3.31Å; T113-Y214 HydrophobicContact CG2-CD2 4.18Å; T113-Y214 HydrophobicContact CG2-CE2 3.45Å; T113-Y214 VanDerWaalsContact CG2-CE2 3.45Å
114L93.6Very high93.6Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-61.7-44-179.3-74.7165.4000112.2L107 D110 V111 T116 L117 E118 I133 L183 T211 Y214 L218L107-L114 HydrophobicContact CB-CD1 4.37Å; L107-L114 HydrophobicContact CD2-CD1 3.63Å; D110-L114 HydrophobicContact CB-CD1 4.35Å; D110-L114 PolarHBondContact O-N 3.29Å; V111-L114 PolarHBondContact O-N 2.75Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 2.88Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L114-E118 PolarHBondContact O-N 3.45Å; L114-I133 HydrophobicContact CB-CD1 3.68Å; L114-I133 HydrophobicContact CB-CG1 3.82Å; L114-I133 HydrophobicContact CB-CG2 4.19Å; L114-I133 HydrophobicContact CD1-CG2 3.84Å; L114-L183 HydrophobicContact CD1-CD2 4.08Å; L114-L183 HydrophobicContact CD2-CD2 4.2Å; L114-T211 HydrophobicContact CD2-CG2 4.15Å; L114-Y214 HydrophobicContact CD2-CD1 3.42Å; L114-Y214 VanDerWaalsContact CD2-CD1 3.42Å; L114-Y214 HydrophobicContact CD2-CE1 4.16Å; L114-Y214 HydrophobicContact CD2-CG 3.85Å; L114-Y214 HydrophobicContact CG-CD1 3.93Å; L114-Y214 HydrophobicContact CG-CE1 4.16Å; L114-L218 HydrophobicContact CD1-CD1 4.46Å
115A94.8Very high93.5Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-66-32.3176.800000112.5V111 T113 L117 C119 F126 S129 V130 I133V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.27Å; T113-A115 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-C119 WeakPolarHBondContact O-CB 3.36Å; A115-C119 PolarHBondContact O-N 3.43Å; A115-F126 HydrophobicContact CB-CD2 4.15Å; A115-F126 HydrophobicContact CB-CE2 3.69Å; A115-F126 HydrophobicContact CB-CZ 4.15Å; A115-S129 WeakPolarHBondContact O-CB 3.46Å; A115-V130 HydrophobicContact CB-CB 4.4Å; A115-V130 HydrophobicContact CB-CG2 3.61Å; A115-I133 HydrophobicContact CB-CG1 4.16Å
116T92.9Very high93.5Very high12 Ų1214.6 Ų14.67%0.0747%0.067CC..Hα-helixtrans-66.5-39.3173.4-610000111V19 F23 A112 T113 L114 K120 F126 F351V19-T116 HydrophobicContact CG1-CG2 4.24Å; F23-T116 HydrophobicContact CZ-CG2 4.39Å; A112-T116 WeakPolarHBondContact O-CB 3.38Å; A112-T116 PolarHBondContact O-N 2.92Å; A112-T116 PolarHBondContact O-OG1 3.22Å; T113-T116 WeakPolarHBondContact O-CB 3.46Å; T113-T116 PolarHBondContact O-N 2.85Å; L114-T116 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 2.88Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 2.88Å; T116-F126 WeakPolarHBondContact OG1-CE2 3.49Å; T116-F351 HydrophobicContact CG2-CE1 4.11Å; T116-F351 HydrophobicContact CG2-CZ 4.06Å
117L92.2Very high93.5Very high16 Ų1617 Ų178%0.0848%0.077CC..Hα-helixtrans-64.7-52.9177.1-64.4173.5000110.8T113 L114 A115 C119 K120 D121 L210 T211 Y214T113-L117 WeakPolarHBondContact O-CG 3.38Å; T113-L117 PolarHBondContact O-N 3.31Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 VanDerWaalsContact C-N 3.35Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.42Å; L117-K120 PolarHBondContact O-N 2.78Å; L117-D121 PolarHBondContact O-N 3.07Å; L117-L210 HydrophobicContact CB-CB 4.16Å; L117-L210 HydrophobicContact CD1-CB 4.48Å; L117-L210 HydrophobicContact CD2-CB 4.3Å; L117-L210 HydrophobicContact CD2-CD1 4.08Å; L117-T211 HydrophobicContact CB-CG2 3.8Å; L117-Y214 HydrophobicContact CD1-CD2 3.77Å; L117-Y214 HydrophobicContact CD1-CG 4.04Å
118E92.3Very high93.5Very high0 Ų019.3 Ų19.30%09%0.089CC..Hα-helixtrans-59.4-40.7177.8-68.2-147.1173.800112.7L114 K120 D121 V122 K124 I133 L183 T211L114-E118 PolarHBondContact O-N 3.45Å; E118-K120 PolarHBondContact O-N 3.23Å; E118-D121 WeakPolarHBondContact CA-OD1 3.4Å; E118-V122 HydrophobicContact CB-CG2 4.18Å; E118-V122 WeakPolarHBondContact O-CA 3.46Å; E118-V122 WeakPolarHBondContact O-CB 3.25Å; E118-V122 VanDerWaalsContact O-CG2 3.24Å; E118-V122 WeakPolarHBondContact O-CG2 3.37Å; E118-V122 PolarHBondContact O-N 2.93Å; E118-K124 IonicContact OE2-NZ 2.82Å; E118-K124 PolarHBondContact OE2-NZ 2.76Å; E118-I133 HydrophobicContact CG-CD1 4.33Å; E118-L183 WeakPolarHBondContact OE1-CB 3.43Å; E118-L183 PolarHBondContact OE1-N 2.87Å; E118-T211 HydrophobicContact CB-CG2 4.49Å; E118-T211 HydrophobicContact CG-CG2 3.43Å; E118-T211 VanDerWaalsContact CG-CG2 3.43Å
119C93.1Very high93.5Very high0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-60.2-36.4177.9-176.50000111.5A115 L117 G123 K124 F126 S129 F351A115-C119 WeakPolarHBondContact O-CB 3.36Å; A115-C119 PolarHBondContact O-N 3.43Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.42Å; C119-G123 WeakPolarHBondContact O-CA 3.32Å; C119-G123 PolarHBondContact O-N 3.13Å; C119-K124 PolarHBondContact SG-O 3.22Å; C119-K124 VanDerWaalsContact SG-O 3.37Å; C119-F126 HydrophobicContact CB-CB 4.5Å; C119-F126 HydrophobicContact CB-CD2 4.33Å; C119-S129 PolarHBondContact N-OG 3.24Å; C119-F351 HydrophobicContact CB-CE1 3.96Å; C119-F351 HydrophobicContact CB-CE2 4.27Å; C119-F351 HydrophobicContact CB-CZ 3.67Å; C119-F351 WeakPolarHBondContact SG-CE2 3.42Å; C119-F351 WeakPolarHBondContact SG-CZ 3.47Å
120K91.1Very high93.6Very high61 Ų6111.4 Ų11.427%0.2656%0.057SC..Hα-helixtrans-74.5-45.2-177.3-81.5-167.2172-161.20113.9F23 S53 P54 I60 T116 L117 E118 F351F23-K120 HydrophobicContact CZ-CD 4.49Å; S53-K120 PolarHBondContact OG-O 3.19Å; P54-K120 WeakPolarHBondContact CD-O 3.45Å; I60-K120 HydrophobicContact CD1-CB 4.04Å; I60-K120 WeakPolarHBondContact CD1-O 3.4Å; I60-K120 HydrophobicContact CG2-CD 4.39Å; T116-K120 WeakPolarHBondContact O-CG 3.39Å; T116-K120 PolarHBondContact O-N 2.88Å; L117-K120 PolarHBondContact O-N 2.78Å; E118-K120 PolarHBondContact O-N 3.23Å; K120-F351 HydrophobicContact CG-CE2 3.96Å; K120-F351 HydrophobicContact CG-CZ 3.87Å
121D91Very high93.8Very high3 Ų312.1 Ų12.12%0.0166%0.06CC..Hα-helixtrans-94.3-37.1-172.763.6-1.9000112.5D51 P54 I60 L117 E118 T208 L210D51-D121 WeakPolarHBondContact OD2-CB 3.43Å; P54-D121 VanDerWaalsContact CD-O 3.26Å; P54-D121 WeakPolarHBondContact CD-O 3.22Å; I60-D121 HydrophobicContact CD1-CB 3.81Å; L117-D121 PolarHBondContact O-N 3.07Å; E118-D121 WeakPolarHBondContact CA-OD1 3.4Å; D121-T208 HydrophobicContact CB-CG2 4.4Å; D121-T208 VanDerWaalsContact OD2-CA 3.28Å; D121-T208 WeakPolarHBondContact OD2-CA 3.22Å; D121-L210 HydrophobicContact CB-CD1 4.13Å; D121-L210 WeakPolarHBondContact OD2-CB 3.47Å; D121-L210 WeakPolarHBondContact OD2-CG 3.49Å
122V93.9Very high93.9Very high0 Ų012 Ų120%06%0.059CC..THydrogen-bonded Turntrans-76.9-37.9172.3-167.60000111.6E118 K124 P182 T208E118-V122 HydrophobicContact CB-CG2 4.18Å; E118-V122 WeakPolarHBondContact O-CA 3.46Å; E118-V122 WeakPolarHBondContact O-CB 3.25Å; E118-V122 VanDerWaalsContact O-CG2 3.24Å; E118-V122 WeakPolarHBondContact O-CG2 3.37Å; E118-V122 PolarHBondContact O-N 2.93Å; V122-K124 HydrophobicContact CG1-CB 4.42Å; V122-P182 HydrophobicContact CG2-CG 3.63Å; V122-T208 HydrophobicContact CB-CG2 4.31Å; V122-T208 HydrophobicContact CG2-CG2 3.67Å
123G93.2Very high94.2Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans85.12.1-173.200000114.9C119 P350 G358 P359C119-G123 WeakPolarHBondContact O-CA 3.32Å; C119-G123 PolarHBondContact O-N 3.13Å; G123-P350 WeakPolarHBondContact O-CB 3.45Å; G123-G358 WeakPolarHBondContact O-CA 3.46Å; G123-P359 VanDerWaalsContact O-CD 3.26Å; G123-P359 WeakPolarHBondContact O-CD 3.21Å
124K94.7Very high94.5Very high0 Ų013.1 Ų13.10%06%0.062CC..  trans-69.4151.2177.675.4-177.261.9163.30111.1E118 C119 V122 F126 S129 D132 N180 N313 M314 P350E118-K124 IonicContact OE2-NZ 2.82Å; E118-K124 PolarHBondContact OE2-NZ 2.76Å; C119-K124 PolarHBondContact SG-O 3.22Å; C119-K124 VanDerWaalsContact SG-O 3.37Å; V122-K124 HydrophobicContact CG1-CB 4.42Å; K124-F126 PolarHBondContact O-N 2.8Å; K124-S129 WeakPolarHBondContact CD-OG 3.47Å; K124-S129 WeakPolarHBondContact CG-OG 3.32Å; K124-D132 WeakPolarHBondContact CD-OD2 3.39Å; K124-D132 IonicContact NZ-OD2 3.09Å; K124-D132 PolarHBondContact NZ-OD2 3.2Å; K124-N180 WeakPolarHBondContact CE-O 3.43Å; K124-N180 PolarHBondContact NZ-O 3.14Å; K124-N313 WeakPolarHBondContact CB-OD1 3.4Å; K124-N313 WeakPolarHBondContact CE-OD1 3.21Å; K124-M314 HydrophobicContact CB-CE 4.05Å; K124-M314 HydrophobicContact CB-SD 4.34Å; K124-P350 WeakPolarHBondContact O-CB 3.16Å
125P96Very high94.7Very high0 Ų013.1 Ų13.10%06%0.062CC..  trans-50.4141.3176.1-27.635000113K127 D128 S129 P350P125-K127 VanDerWaalsContact C-N 3.27Å; P125-K127 HydrophobicContact CB-CG 4.19Å; P125-K127 PolarHBondContact O-N 3.06Å; P125-D128 HydrophobicContact CB-CB 4.45Å; P125-D128 WeakPolarHBondContact O-CB 3.35Å; P125-D128 PolarHBondContact O-N 3.24Å; P125-S129 PolarHBondContact O-N 3.01Å; P125-S129 PolarHBondContact O-OG 3.01Å; P125-P350 CarbonylContact C-O 3.56Å; P125-P350 WeakPolarHBondContact CA-O 3.42Å
126F95.1Very high94.9Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-57.8-39.8-177.3178.9-98000112.2L15 Y16 V19 A115 T116 C119 K124 D128 S129 V130 P350 F351L15-F126 HydrophobicContact CB-CE1 3.85Å; L15-F126 HydrophobicContact CB-CZ 4.14Å; Y16-F126 AromaticContact CD1-CD1 3.88Å; Y16-F126 HydrophobicContact CD1-CD1 3.88Å; Y16-F126 HydrophobicContact CD1-CE1 4.43Å; Y16-F126 HydrophobicContact CD1-CG 4.48Å; Y16-F126 HydrophobicContact CD2-CD1 4.28Å; Y16-F126 HydrophobicContact CE1-CB 3.82Å; Y16-F126 AromaticContact CE1-CD1 3.58Å; Y16-F126 HydrophobicContact CE1-CD1 3.58Å; Y16-F126 HydrophobicContact CE1-CG 4.02Å; Y16-F126 HydrophobicContact CE2-CD1 4.04Å; Y16-F126 HydrophobicContact CG-CD1 4.21Å; Y16-F126 HydrophobicContact CG-CE1 4.41Å; Y16-F126 AromaticContact CZ-CD1 3.66Å; V19-F126 HydrophobicContact CG2-CD2 4.2Å; V19-F126 HydrophobicContact CG2-CE1 4.15Å; V19-F126 HydrophobicContact CG2-CE2 3.67Å; V19-F126 HydrophobicContact CG2-CZ 3.64Å; A115-F126 HydrophobicContact CB-CD2 4.15Å; A115-F126 HydrophobicContact CB-CE2 3.69Å; A115-F126 HydrophobicContact CB-CZ 4.15Å; T116-F126 WeakPolarHBondContact OG1-CE2 3.49Å; C119-F126 HydrophobicContact CB-CB 4.5Å; C119-F126 HydrophobicContact CB-CD2 4.33Å; K124-F126 PolarHBondContact O-N 2.8Å; F126-D128 VanDerWaalsContact C-N 3.26Å; F126-D128 PolarHBondContact O-N 2.81Å; F126-S129 WeakPolarHBondContact O-CB 3.48Å; F126-S129 PolarHBondContact O-N 2.78Å; F126-V130 HydrophobicContact CD1-CG2 4.13Å; F126-V130 HydrophobicContact CE1-CG2 3.72Å; F126-V130 HydrophobicContact CZ-CG2 3.97Å; F126-V130 WeakPolarHBondContact O-CG2 2.87Å; F126-V130 PolarHBondContact O-N 2.87Å; F126-P350 PolarHBondContact N-O 2.75Å; F126-F351 HydrophobicContact CB-CD1 4.17Å; F126-F351 HydrophobicContact CD2-CD1 4.15Å; F126-F351 AromaticContact CD2-CE1 3.83Å; F126-F351 HydrophobicContact CD2-CE1 3.83Å; F126-F351 HydrophobicContact CG-CD1 4.36Å; F126-F351 HydrophobicContact CG-CE1 4.47Å
127K95.2Very high95.2Very high60 Ų6012.6 Ų12.626%0.2616%0.059SC..Hα-helixtrans-58.5-37.117567.3-175.5-176.9-168.10112.8V12 Y16 P125 Q131 V355V12-K127 HydrophobicContact CG1-CB 4.07Å; Y16-K127 PolarHBondContact OH-N 2.79Å; P125-K127 VanDerWaalsContact C-N 3.27Å; P125-K127 HydrophobicContact CB-CG 4.19Å; P125-K127 PolarHBondContact O-N 3.06Å; K127-Q131 PolarHBondContact O-N 3.49Å; K127-V355 PolarHBondContact NZ-O 3.41Å
128D95.6Very high95.5Very high48 Ų4814.3 Ų14.326%0.2576%0.064SC..Hα-helixtrans-75.4-40.8179.7-62.8-16.5000109.6P125 F126 V130 Q131 D132P125-D128 HydrophobicContact CB-CB 4.45Å; P125-D128 WeakPolarHBondContact O-CB 3.35Å; P125-D128 PolarHBondContact O-N 3.24Å; F126-D128 VanDerWaalsContact C-N 3.26Å; F126-D128 PolarHBondContact O-N 2.81Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 3.44Å; D128-Q131 WeakPolarHBondContact O-CB 3.31Å; D128-Q131 PolarHBondContact O-N 3.23Å; D128-Q131 VanDerWaalsContact O-N 3.08Å; D128-D132 PolarHBondContact O-N 2.99Å
129S95.6Very high95.8Very high0 Ų014.3 Ų14.30%06%0.064CC..Hα-helixtrans-56.1-42.1172.2-570000111.8A115 C119 K124 P125 F126 Q131 D132 I133A115-S129 WeakPolarHBondContact O-CB 3.46Å; C119-S129 PolarHBondContact N-OG 3.24Å; K124-S129 WeakPolarHBondContact CD-OG 3.47Å; K124-S129 WeakPolarHBondContact CG-OG 3.32Å; P125-S129 PolarHBondContact O-N 3.01Å; P125-S129 PolarHBondContact O-OG 3.01Å; F126-S129 WeakPolarHBondContact O-CB 3.48Å; F126-S129 PolarHBondContact O-N 2.78Å; S129-Q131 VanDerWaalsContact C-N 3.35Å; S129-Q131 PolarHBondContact O-N 2.99Å; S129-D132 WeakPolarHBondContact O-CB 3.4Å; S129-D132 PolarHBondContact O-N 3.48Å; S129-I133 VanDerWaalsContact O-CG1 3.3Å; S129-I133 WeakPolarHBondContact O-CG1 3.47Å; S129-I133 PolarHBondContact O-N 3.37Å; S129-I133 VanDerWaalsContact O-N 3.09Å
130V96.2Very high96Very high0 Ų014.3 Ų14.30%06%0.064CC..Hα-helixtrans-58.3-46.2175.3166.90000111.2V12 L15 V111 A115 F126 D128 D132 I133 F134V12-V130 HydrophobicContact CG2-CG1 4.36Å; L15-V130 HydrophobicContact CD1-CG1 3.83Å; L15-V130 HydrophobicContact CD1-CG2 3.87Å; V111-V130 HydrophobicContact CG2-CG1 4.04Å; A115-V130 HydrophobicContact CB-CB 4.4Å; A115-V130 HydrophobicContact CB-CG2 3.61Å; F126-V130 HydrophobicContact CD1-CG2 4.13Å; F126-V130 HydrophobicContact CE1-CG2 3.72Å; F126-V130 HydrophobicContact CZ-CG2 3.97Å; F126-V130 WeakPolarHBondContact O-CG2 2.87Å; F126-V130 PolarHBondContact O-N 2.87Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 3.44Å; V130-D132 VanDerWaalsContact C-N 3.3Å; V130-D132 PolarHBondContact O-N 3Å; V130-I133 PolarHBondContact O-N 3.07Å; V130-F134 HydrophobicContact CG1-CD2 3.9Å; V130-F134 HydrophobicContact CG1-CE2 3.77Å; V130-F134 VanDerWaalsContact O-CD2 3.27Å; V130-F134 WeakPolarHBondContact O-CD2 3.34Å; V130-F134 PolarHBondContact O-N 3.48Å
131Q95.9Very high96.4Very high31 Ų3115.9 Ų15.915%0.1457%0.068CC..Hα-helixtrans-61.7-39.9178-64.6-61.3-34.700111.9K127 D128 S129 I133 F134 F135K127-Q131 PolarHBondContact O-N 3.49Å; D128-Q131 WeakPolarHBondContact O-CB 3.31Å; D128-Q131 PolarHBondContact O-N 3.23Å; D128-Q131 VanDerWaalsContact O-N 3.08Å; S129-Q131 VanDerWaalsContact C-N 3.35Å; S129-Q131 PolarHBondContact O-N 2.99Å; Q131-I133 VanDerWaalsContact C-N 3.34Å; Q131-I133 PolarHBondContact O-N 3.33Å; Q131-F134 PolarHBondContact O-N 3.42Å; Q131-F135 WeakPolarHBondContact O-CB 3.36Å; Q131-F135 PolarHBondContact O-N 3.25Å
132D97.2Very high96.7Very high6 Ų618.4 Ų18.43%0.0328%0.078CC..Hα-helixtrans-61.4-40.9176.9-71.3-12.2000111.5K124 D128 S129 V130 F135 A136 F181 V184K124-D132 WeakPolarHBondContact CD-OD2 3.39Å; K124-D132 IonicContact NZ-OD2 3.09Å; K124-D132 PolarHBondContact NZ-OD2 3.2Å; D128-D132 PolarHBondContact O-N 2.99Å; S129-D132 WeakPolarHBondContact O-CB 3.4Å; S129-D132 PolarHBondContact O-N 3.48Å; V130-D132 VanDerWaalsContact C-N 3.3Å; V130-D132 PolarHBondContact O-N 3Å; D132-F135 PolarHBondContact O-N 3.28Å; D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 3.16Å; D132-F181 WeakPolarHBondContact OD2-CD1 3.36Å; D132-V184 HydrophobicContact CB-CG2 3.77Å; D132-V184 WeakPolarHBondContact O-CG2 3.48Å
133I97.3Very high97Very high0 Ų018.4 Ų18.40%08%0.078CC..Hα-helixtrans-64.5-44.4178-51.4-42.4000111.6L107 V111 L114 A115 E118 S129 V130 Q131 F135 A136 A137 L183L107-I133 HydrophobicContact CB-CG2 4.34Å; V111-I133 HydrophobicContact CB-CG2 4.35Å; V111-I133 HydrophobicContact CG2-CB 3.91Å; V111-I133 HydrophobicContact CG2-CG1 4.32Å; V111-I133 HydrophobicContact CG2-CG2 4.08Å; L114-I133 HydrophobicContact CB-CD1 3.68Å; L114-I133 HydrophobicContact CB-CG1 3.82Å; L114-I133 HydrophobicContact CB-CG2 4.19Å; L114-I133 HydrophobicContact CD1-CG2 3.84Å; A115-I133 HydrophobicContact CB-CG1 4.16Å; E118-I133 HydrophobicContact CG-CD1 4.33Å; S129-I133 VanDerWaalsContact O-CG1 3.3Å; S129-I133 WeakPolarHBondContact O-CG1 3.47Å; S129-I133 PolarHBondContact O-N 3.37Å; S129-I133 VanDerWaalsContact O-N 3.09Å; V130-I133 PolarHBondContact O-N 3.07Å; Q131-I133 VanDerWaalsContact C-N 3.34Å; Q131-I133 PolarHBondContact O-N 3.33Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.28Å; I133-A136 WeakPolarHBondContact O-CB 3.4Å; I133-A136 PolarHBondContact O-N 3.37Å; I133-A137 PolarHBondContact O-N 2.92Å; I133-L183 HydrophobicContact CD1-CB 4.46Å; I133-L183 HydrophobicContact CD1-CD2 3.63Å; I133-L183 HydrophobicContact CG2-CD2 4.27Å
134F97.9Very high97.2Very high38 Ų3818.5 Ų18.517%0.1678%0.079CC..Hα-helixtrans-65.4-36.3177.1-79.6-72.6000112V6 V7 E108 V111 V130 Q131 A137 R138V6-F134 HydrophobicContact CG1-CB 4.01Å; V7-F134 HydrophobicContact CB-CD2 4.43Å; V7-F134 HydrophobicContact CB-CE2 4.46Å; V7-F134 HydrophobicContact CG1-CE2 4.08Å; V7-F134 HydrophobicContact CG2-CB 4.01Å; V7-F134 HydrophobicContact CG2-CD1 4.31Å; V7-F134 HydrophobicContact CG2-CD2 3.09Å; V7-F134 HydrophobicContact CG2-CE2 3.47Å; V7-F134 VanDerWaalsContact CG2-CE2 3.47Å; V7-F134 HydrophobicContact CG2-CG 3.56Å; V7-F134 HydrophobicContact CG2-CZ 4.24Å; E108-F134 HydrophobicContact CB-CE1 4.33Å; E108-F134 HydrophobicContact CG-CD1 3.95Å; E108-F134 HydrophobicContact CG-CE1 4Å; V111-F134 HydrophobicContact CB-CE2 4.39Å; V111-F134 HydrophobicContact CB-CZ 4.46Å; V111-F134 HydrophobicContact CG1-CE2 4.48Å; V111-F134 HydrophobicContact CG1-CZ 4.38Å; V111-F134 HydrophobicContact CG2-CD2 3.94Å; V111-F134 HydrophobicContact CG2-CE2 3.59Å; V111-F134 HydrophobicContact CG2-CZ 4.12Å; V130-F134 HydrophobicContact CG1-CD2 3.9Å; V130-F134 HydrophobicContact CG1-CE2 3.77Å; V130-F134 VanDerWaalsContact O-CD2 3.27Å; V130-F134 WeakPolarHBondContact O-CD2 3.34Å; V130-F134 PolarHBondContact O-N 3.48Å; Q131-F134 PolarHBondContact O-N 3.42Å; F134-A137 PolarHBondContact O-N 2.84Å; F134-R138 WeakPolarHBondContact O-CB 3.35Å; F134-R138 PolarHBondContact O-N 2.96Å
135F98Very high97.3Very high1 Ų120.4 Ų20.40%0.00410%0.099CC..Hα-helixtrans-66.3-41.9174.3-172-121.2000112M1 Q131 D132 I133 A137 R138 I139 V184 V486 P488M1-F135 HydrophobicContact SD-CD1 3.75Å; M1-F135 HydrophobicContact SD-CE1 4.02Å; M1-F135 HydrophobicContact SD-CG 4.49Å; Q131-F135 WeakPolarHBondContact O-CB 3.36Å; Q131-F135 PolarHBondContact O-N 3.25Å; D132-F135 PolarHBondContact O-N 3.28Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.28Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.85Å; F135-R138 WeakPolarHBondContact O-CB 3.45Å; F135-R138 PolarHBondContact O-N 2.79Å; F135-R138 VanDerWaalsContact O-N 3.16Å; F135-I139 HydrophobicContact CD1-CD1 3.95Å; F135-I139 HydrophobicContact CE1-CD1 3.72Å; F135-I139 HydrophobicContact CE1-CG1 4.32Å; F135-I139 HydrophobicContact CZ-CD1 4.19Å; F135-I139 HydrophobicContact CZ-CG1 4.33Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 2.94Å; F135-V184 HydrophobicContact CB-CG2 4.46Å; F135-V184 HydrophobicContact CD1-CB 4.45Å; F135-V184 HydrophobicContact CD1-CG1 3.57Å; F135-V184 HydrophobicContact CD1-CG2 3.99Å; F135-V184 HydrophobicContact CE1-CG1 3.77Å; F135-V486 HydrophobicContact CE1-CG1 4.48Å; F135-V486 WeakPolarHBondContact CE2-O 3.26Å; F135-V486 HydrophobicContact CZ-CB 4.2Å; F135-V486 HydrophobicContact CZ-CG1 3.98Å; F135-P488 HydrophobicContact CE2-CG 4.2Å
136A98.6Very high97.4Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-58-44.3173.500000111.9L107 D132 I133 I139 L140 L183 V184 C187L107-A136 HydrophobicContact CD1-CB 4.21Å; D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 3.16Å; I133-A136 WeakPolarHBondContact O-CB 3.4Å; I133-A136 PolarHBondContact O-N 3.37Å; A136-I139 WeakPolarHBondContact O-CB 3.21Å; A136-I139 PolarHBondContact O-N 2.9Å; A136-L140 PolarHBondContact O-N 3.12Å; A136-L140 VanDerWaalsContact O-N 3.17Å; A136-L183 HydrophobicContact CB-CD2 4.13Å; A136-L183 HydrophobicContact CB-CG 3.98Å; A136-V184 HydrophobicContact CB-CG2 4.26Å; A136-C187 HydrophobicContact CB-CB 4.07Å
137A98.5Very high97.5Very high0 Ų021.6 Ų21.60%011%0.105CC..Hα-helixtrans-62-43.417400000112.3A104 L107 E108 I133 F134 F135 I139 L140 R141A104-A137 HydrophobicContact CB-CB 4.19Å; A104-A137 VanDerWaalsContact CB-O 3.31Å; A104-A137 WeakPolarHBondContact CB-O 3.12Å; L107-A137 HydrophobicContact CB-CB 4.12Å; L107-A137 HydrophobicContact CD1-CB 4.43Å; E108-A137 HydrophobicContact CG-CB 3.67Å; I133-A137 PolarHBondContact O-N 2.92Å; F134-A137 PolarHBondContact O-N 2.84Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.85Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 2.63Å; A137-L140 PolarHBondContact O-N 3.03Å; A137-R141 WeakPolarHBondContact O-CB 3.49Å; A137-R141 PolarHBondContact O-N 3.22Å
138R98.3Very high97.6Very high53 Ų5322.5 Ų22.520%0.211%0.113CC..Hα-helixtrans-61.4-38176.6-173.6-175.8158.3-175.3-9.2112.2F134 F135 R141 Y142 N487 P488F134-R138 WeakPolarHBondContact O-CB 3.35Å; F134-R138 PolarHBondContact O-N 2.96Å; F135-R138 WeakPolarHBondContact O-CB 3.45Å; F135-R138 PolarHBondContact O-N 2.79Å; F135-R138 VanDerWaalsContact O-N 3.16Å; R138-R141 PolarHBondContact O-N 3.46Å; R138-Y142 PolarHBondContact O-N 3.35Å; R138-N487 PolarHBondContact NH2-OD1 3.39Å; R138-P488 HydrophobicContact CG-CG 4.19Å
139I98.8Very high97.6Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-59.9-53.2173.9-70.9166.4000110.4F135 A136 A137 R141 Y142 F143 V184 C187 A188 P488F135-I139 HydrophobicContact CD1-CD1 3.95Å; F135-I139 HydrophobicContact CE1-CD1 3.72Å; F135-I139 HydrophobicContact CE1-CG1 4.32Å; F135-I139 HydrophobicContact CZ-CD1 4.19Å; F135-I139 HydrophobicContact CZ-CG1 4.33Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 2.94Å; A136-I139 WeakPolarHBondContact O-CB 3.21Å; A136-I139 PolarHBondContact O-N 2.9Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 2.63Å; I139-R141 VanDerWaalsContact C-N 3.29Å; I139-R141 PolarHBondContact O-N 3.47Å; I139-Y142 PolarHBondContact O-N 3.12Å; I139-F143 HydrophobicContact CG2-CD2 3.78Å; I139-F143 HydrophobicContact CG2-CE2 3.7Å; I139-F143 WeakPolarHBondContact O-CD2 3.15Å; I139-F143 PolarHBondContact O-N 2.89Å; I139-F143 VanDerWaalsContact O-N 3.16Å; I139-V184 HydrophobicContact CD1-CG1 3.93Å; I139-C187 HydrophobicContact CB-CB 4.42Å; I139-C187 HydrophobicContact CG2-CB 4.29Å; I139-C187 WeakPolarHBondContact CG2-O 3.47Å; I139-A188 HydrophobicContact CD1-CB 4.42Å; I139-P488 HydrophobicContact CB-CG 4.41Å; I139-P488 HydrophobicContact CG1-CB 4.32Å; I139-P488 HydrophobicContact CG1-CG 3.76Å
140L98.6Very high97.6Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-58.8-43179.6-65.8-178.2000111.5L100 L103 A104 L107 A136 A137 Y142 F143 G144 C187 V190 F215L100-L140 HydrophobicContact CD2-CD2 3.96Å; L103-L140 HydrophobicContact CB-CD1 3.89Å; A104-L140 HydrophobicContact CB-CB 4.08Å; L107-L140 HydrophobicContact CD1-CD1 3.7Å; L107-L140 HydrophobicContact CG-CD1 4.48Å; A136-L140 PolarHBondContact O-N 3.12Å; A136-L140 VanDerWaalsContact O-N 3.17Å; A137-L140 PolarHBondContact O-N 3.03Å; L140-Y142 PolarHBondContact O-N 2.98Å; L140-F143 PolarHBondContact O-N 2.79Å; L140-G144 PolarHBondContact O-N 3.45Å; L140-C187 HydrophobicContact CD2-CB 3.93Å; L140-C187 HydrophobicContact CG-CB 3.99Å; L140-V190 HydrophobicContact CD2-CG1 4.31Å; L140-F215 HydrophobicContact CD1-CE2 4.15Å
141R98.1Very high97.6Very high93 Ų9332 Ų3235%0.35117%0.165SC..Hα-helixtrans-61.5-42.3177.8-174.1176.1-66.7121.32.9112.7A104 E108 A137 R138 I139 G144 G145A104-R141 HydrophobicContact CB-CB 4.25Å; E108-R141 IonicContact OE1-CZ 3.78Å; E108-R141 VanDerWaalsContact OE1-CZ 3.24Å; E108-R141 IonicContact OE1-NH1 3.38Å; E108-R141 PolarHBondContact OE1-NH1 2.82Å; E108-R141 IonicContact OE1-NH2 3.8Å; E108-R141 PolarHBondContact OE1-NH2 2.88Å; E108-R141 IonicContact OE2-CZ 2.65Å; E108-R141 IonicContact OE2-NH2 2.89Å; E108-R141 PolarHBondContact OE2-NH2 2.98Å; A137-R141 WeakPolarHBondContact O-CB 3.49Å; A137-R141 PolarHBondContact O-N 3.22Å; R138-R141 PolarHBondContact O-N 3.46Å; I139-R141 VanDerWaalsContact C-N 3.29Å; I139-R141 PolarHBondContact O-N 3.47Å; R141-G144 PolarHBondContact O-N 2.83Å; R141-G145 PolarHBondContact O-N 2.89Å
142Y98.6Very high97.6Very high56 Ų5632 Ų3222%0.2217%0.174CC..Hα-helixtrans-59.6-50.3176.5173.2-103000111.4R138 I139 L140 G144 G145 L146 P488 Q489R138-Y142 PolarHBondContact O-N 3.35Å; I139-Y142 PolarHBondContact O-N 3.12Å; L140-Y142 PolarHBondContact O-N 2.98Å; Y142-G144 VanDerWaalsContact C-N 3.29Å; Y142-G144 PolarHBondContact O-N 2.81Å; Y142-G145 PolarHBondContact O-N 2.93Å; Y142-G145 VanDerWaalsContact O-N 3.14Å; Y142-L146 HydrophobicContact CE1-CD2 4.22Å; Y142-L146 PolarHBondContact O-N 2.82Å; Y142-L146 VanDerWaalsContact O-N 3.16Å; Y142-P488 HydrophobicContact CD1-CB 3.79Å; Y142-P488 WeakPolarHBondContact CD1-O 3.48Å; Y142-P488 WeakPolarHBondContact CE1-O 3.38Å; Y142-P488 HydrophobicContact CG-CB 3.73Å; Y142-Q489 HydrophobicContact CD2-CG 3.9Å; Y142-Q489 HydrophobicContact CE2-CB 4.23Å; Y142-Q489 HydrophobicContact CE2-CG 3.65Å
143F98.6Very high97.5Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-68.8-28.9178-70.9-62.8000113.1L100 I139 L140 G145 L146 A147 P192 C195 S505 V509L100-F143 HydrophobicContact CD1-CB 4.1Å; I139-F143 HydrophobicContact CG2-CD2 3.78Å; I139-F143 HydrophobicContact CG2-CE2 3.7Å; I139-F143 WeakPolarHBondContact O-CD2 3.15Å; I139-F143 PolarHBondContact O-N 2.89Å; I139-F143 VanDerWaalsContact O-N 3.16Å; L140-F143 PolarHBondContact O-N 2.79Å; F143-G145 VanDerWaalsContact C-N 3.31Å; F143-G145 PolarHBondContact O-N 2.57Å; F143-L146 HydrophobicContact CD1-CD2 4.26Å; F143-L146 PolarHBondContact O-N 3.24Å; F143-A147 PolarHBondContact O-N 2.91Å; F143-A147 VanDerWaalsContact O-N 3.12Å; F143-P192 HydrophobicContact CD1-CB 4.1Å; F143-P192 HydrophobicContact CE1-CB 3.71Å; F143-P192 HydrophobicContact CE1-CG 4.39Å; F143-P192 HydrophobicContact CE2-CB 4.34Å; F143-P192 VanDerWaalsContact CE2-CD 3.49Å; F143-P192 HydrophobicContact CE2-CG 4.18Å; F143-P192 HydrophobicContact CZ-CB 3.8Å; F143-P192 HydrophobicContact CZ-CG 3.99Å; F143-C195 HydrophobicContact CB-CB 4.08Å; F143-C195 HydrophobicContact CD1-CB 4.39Å; F143-S505 WeakPolarHBondContact CE1-O 3.08Å; F143-V509 HydrophobicContact CD1-CG2 3.5Å; F143-V509 VanDerWaalsContact CD1-CG2 3.5Å; F143-V509 HydrophobicContact CE1-CG2 3.3Å; F143-V509 HydrophobicContact CZ-CG2 4.49Å
144G97.8Very high97.5Very high3 Ų345.7 Ų45.73%0.03124%0.236CC..Hα-helixtrans-60.7-40.717000000112.3G97 L140 R141 Y142 L146G97-G144 WeakPolarHBondContact CA-O 3.4Å; L140-G144 PolarHBondContact O-N 3.45Å; R141-G144 PolarHBondContact O-N 2.83Å; Y142-G144 VanDerWaalsContact C-N 3.29Å; Y142-G144 PolarHBondContact O-N 2.81Å; G144-L146 VanDerWaalsContact C-N 3.33Å
145G97.8Very high97.5Very high39 Ų3947 Ų4740%0.40224%0.244SC..Hα-helixtrans-69.5-26.1174.200000114.5R141 Y142 F143 K149R141-G145 PolarHBondContact O-N 2.89Å; Y142-G145 PolarHBondContact O-N 2.93Å; Y142-G145 VanDerWaalsContact O-N 3.14Å; F143-G145 VanDerWaalsContact C-N 3.31Å; F143-G145 PolarHBondContact O-N 2.57Å; G145-K149 WeakPolarHBondContact O-CD 3.43Å; G145-K149 PolarHBondContact O-NZ 3.42Å
146L97.4Very high97.3Very high24 Ų2453.1 Ų53.113%0.12628%0.284CS..Hα-helixtrans-89.3-19.6-176.2-172.459.4000114Y142 F143 G144 D148 K149 L150 L506 V509Y142-L146 HydrophobicContact CE1-CD2 4.22Å; Y142-L146 PolarHBondContact O-N 2.82Å; Y142-L146 VanDerWaalsContact O-N 3.16Å; F143-L146 HydrophobicContact CD1-CD2 4.26Å; F143-L146 PolarHBondContact O-N 3.24Å; G144-L146 VanDerWaalsContact C-N 3.33Å; L146-D148 VanDerWaalsContact C-N 3.3Å; L146-D148 PolarHBondContact O-N 3.36Å; L146-D148 VanDerWaalsContact O-N 3.12Å; L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 PolarHBondContact O-N 2.79Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CG-CD2 4.11Å; L146-L506 HydrophobicContact CD1-CD1 4.36Å; L146-L506 HydrophobicContact CD2-CD1 4.32Å; L146-V509 HydrophobicContact CD2-CG2 3.55Å
147A97.2Very high97.1Very high2 Ų255.1 Ų55.12%0.01730%0.296CS..THydrogen-bonded Turntrans-51.2-41.8-168.500000115A93 F143 C195A93-A147 WeakPolarHBondContact CB-O 3.33Å; A93-A147 WeakPolarHBondContact O-CB 3.23Å; F143-A147 PolarHBondContact O-N 2.91Å; F143-A147 VanDerWaalsContact O-N 3.12Å; A147-C195 VanDerWaalsContact CA-SG 3.56Å
148D96.6Very high96.9Very high79 Ų7962.5 Ų62.542%0.42234%0.336SS..THydrogen-bonded Turntrans-95.911.4179.360.7-34.5000114A93 L146A93-D148 HydrophobicContact CB-CB 4.05Å; L146-D148 VanDerWaalsContact C-N 3.3Å; L146-D148 PolarHBondContact O-N 3.36Å; L146-D148 VanDerWaalsContact O-N 3.12Å
149K96.9Very high96.5Very high116 Ų11662.9 Ų62.950%0.50436%0.356SS..  trans-114.614.9176.1-67.593-171.5167.40112.9G145 L146 S151G145-K149 WeakPolarHBondContact O-CD 3.43Å; G145-K149 PolarHBondContact O-NZ 3.42Å; L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 PolarHBondContact O-N 2.79Å; K149-S151 PolarHBondContact O-N 3.12Å
150L95.7Very high96.2Very high38 Ų3865.5 Ų65.520%0.19937%0.373CS..  trans-81.795.8170.1-56.8-178.1000109.3L146 L167 L506 V509L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CG-CD2 4.11Å; L150-L167 HydrophobicContact CB-CD1 4.39Å; L150-L506 HydrophobicContact CD2-CD1 3.76Å; L150-V509 HydrophobicContact CD1-CG1 3.62Å; L150-V509 HydrophobicContact CD2-CB 4.29Å; L150-V509 HydrophobicContact CD2-CG1 3.77Å; L150-V509 HydrophobicContact CG-CG1 4.34Å
151S95Very high96Very high93 Ų9369.7 Ų69.765%0.6539%0.391SS*.  trans-106.6150.9177.754.90000111.9K149 L167K149-S151 PolarHBondContact O-N 3.12Å; S151-L167 WeakPolarHBondContact O-CD1 3.16Å
152G95.6Very high95.8Very high31 Ų3169.7 Ų69.732%0.3239%0.394SS..  trans-84.5-164.5162.400000112T165G152-T165 WeakPolarHBondContact CA-O 3.34Å; G152-T165 VanDerWaalsContact CA-OG1 3.29Å; G152-T165 WeakPolarHBondContact CA-OG1 3.39Å
153R96.4Very high95.8Very high193 Ų19367 Ų6773%0.72838%0.384SS*.  trans-128.9141.6-176.1-61.2175.465.6-176.90.5109.7Y164 T165R153-Y164 CarbonylContact O-C 3.52Å; R153-Y164 WeakPolarHBondContact O-CA 3.26Å; R153-Y164 WeakPolarHBondContact O-CB 3.06Å; R153-T165 PolarHBondContact N-OG1 3.22Å; R153-T165 PolarHBondContact O-N 3.34Å
154T97.8Very high95.8Very high101 Ų10170.1 Ų70.162%0.6240%0.396SS*.EExtended strand (participates in β ladder)trans-76141.8158.450.50000108.8F162 A163T154-F162 HydrophobicContact CG2-CE2 4.02Å; T154-F162 HydrophobicContact CG2-CZ 4.04Å; T154-A163 WeakPolarHBondContact CA-O 2.95Å
155I96.9Very high95.8Very high65 Ų6570.8 Ų70.833%0.33340%0.399SS..EExtended strand (participates in β ladder)trans-120.3125.5-176.1-52.2175.6000107.9T157 A163 T165 T517I155-T157 VanDerWaalsContact C-N 3.26Å; I155-T157 HydrophobicContact CB-CG2 4.36Å; I155-T157 HydrophobicContact CG2-CG2 3.93Å; I155-T157 PolarHBondContact O-N 3.32Å; I155-A163 HydrophobicContact CB-CB 4.09Å; I155-A163 PolarHBondContact N-O 3.39Å; I155-T165 HydrophobicContact CD1-CG2 3.77Å; I155-T165 HydrophobicContact CG1-CG2 4.47Å; I155-T517 HydrophobicContact CD1-CG2 4.46Å
156P94.3Very high95.8Very high130 Ų13072.1 Ų72.184%0.84440%0.397SS*.  trans-78.378.5174.332.9-33.3000109.5
157T94.2Very high95.8Very high42 Ų4273.1 Ų73.126%0.25840%0.402SS..  trans-74.9148.5174.747.60000111I155 F161 A163I155-T157 VanDerWaalsContact C-N 3.26Å; I155-T157 HydrophobicContact CB-CG2 4.36Å; I155-T157 HydrophobicContact CG2-CG2 3.93Å; I155-T157 PolarHBondContact O-N 3.32Å; T157-F161 PolarHBondContact OG1-O 3.34Å; T157-A163 HydrophobicContact CG2-CB 3.54Å
158D93.9Very high95.8Very high155 Ų15575.6 Ų75.683%0.82941%0.413SS*.SBendtrans-65.4154.3175.3-64.8-34.5000111.9F161D158-F161 WeakPolarHBondContact O-CD2 3.43Å
159G90.5Very high95.8Very high60 Ų6073.2 Ų73.262%0.61940%0.402SS*.SBendtrans79-173.1179.200000113.9F161G159-F161 PolarHBondContact O-N 3.16Å
160P91.6Very high95.9Very high55 Ų5568.6 Ų68.636%0.35738%0.384SS..SBendtrans-81.852.5-176.836.1-36.9000111.1L521 L522 V524P160-L521 HydrophobicContact CG-CD1 4.08Å; P160-L522 VanDerWaalsContact O-CB 3.32Å; P160-L522 WeakPolarHBondContact O-CB 3.42Å; P160-L522 PolarHBondContact O-N 3.12Å; P160-V524 HydrophobicContact CB-CG2 3.66Å; P160-V524 HydrophobicContact CG-CG2 4.33Å
161F94.2Very high96Very high89 Ų8966.8 Ų66.839%0.3937%0.374SS..EExtended strand (participates in β ladder)trans-118.1139.1-178.3-61.6-78.6000111.8T157 D158 G159 F520 L521T157-F161 PolarHBondContact OG1-O 3.34Å; D158-F161 WeakPolarHBondContact O-CD2 3.43Å; G159-F161 PolarHBondContact O-N 3.16Å; F161-F520 CarbonylContact C-O 3.58Å; F161-F520 VanDerWaalsContact CA-O 3.27Å; F161-F520 WeakPolarHBondContact CA-O 3.49Å; F161-L521 HydrophobicContact CD1-CB 4.27Å; F161-L521 HydrophobicContact CD1-CD1 4.17Å; F161-L521 HydrophobicContact CE1-CB 4.04Å; F161-L521 HydrophobicContact CE1-CD1 3.63Å; F161-L521 HydrophobicContact CE1-CG 4.43Å; F161-L521 HydrophobicContact CZ-CD1 4.03Å
162F95.8Very high96.2Very high93 Ų9362.4 Ų62.441%0.40834%0.343SS..EExtended strand (participates in β ladder)trans-105.6114.2166.8175.7-111.1000109.6T154 Y164 E519 F520 L522T154-F162 HydrophobicContact CG2-CE2 4.02Å; T154-F162 HydrophobicContact CG2-CZ 4.04Å; F162-Y164 HydrophobicContact CD1-CD1 4.16Å; F162-Y164 AromaticContact CE1-CD1 3.59Å; F162-Y164 HydrophobicContact CE1-CD1 3.59Å; F162-Y164 HydrophobicContact CE1-CE1 4.09Å; F162-Y164 HydrophobicContact CZ-CD1 4.23Å; F162-E519 WeakPolarHBondContact O-CA 3.11Å; F162-F520 HydrophobicContact CB-CB 4.41Å; F162-F520 HydrophobicContact CD1-CD2 4.27Å; F162-F520 PolarHBondContact N-O 2.85Å; F162-F520 PolarHBondContact O-N 3.24Å; F162-L522 HydrophobicContact CB-CD1 4.06Å; F162-L522 HydrophobicContact CB-CD2 3.83Å; F162-L522 HydrophobicContact CB-CG 4.08Å
163A97.8Very high96.4Very high0 Ų060.9 Ų60.90%033%0.328CS..EExtended strand (participates in β ladder)trans-114.2138.2-178.100000111.8T154 I155 T157 V518 E519T154-A163 WeakPolarHBondContact CA-O 2.95Å; I155-A163 HydrophobicContact CB-CB 4.09Å; I155-A163 PolarHBondContact N-O 3.39Å; T157-A163 HydrophobicContact CG2-CB 3.54Å; A163-V518 WeakPolarHBondContact CA-O 3.38Å; A163-E519 HydrophobicContact CB-CG 3.89Å
164Y98.1Very high96.5Very high64 Ų6451.7 Ų51.725%0.25129%0.293SS..EExtended strand (participates in β ladder)trans-144.5163.6169.266.9-90.6000112.4R153 F162 L166 T517 V518 F520R153-Y164 CarbonylContact O-C 3.52Å; R153-Y164 WeakPolarHBondContact O-CA 3.26Å; R153-Y164 WeakPolarHBondContact O-CB 3.06Å; F162-Y164 HydrophobicContact CD1-CD1 4.16Å; F162-Y164 AromaticContact CE1-CD1 3.59Å; F162-Y164 HydrophobicContact CE1-CD1 3.59Å; F162-Y164 HydrophobicContact CE1-CE1 4.09Å; F162-Y164 HydrophobicContact CZ-CD1 4.23Å; Y164-L166 HydrophobicContact CD2-CD2 4.18Å; Y164-L166 HydrophobicContact CD2-CG 4.23Å; Y164-L166 HydrophobicContact CE2-CD1 4.19Å; Y164-L166 HydrophobicContact CE2-CD2 3.77Å; Y164-L166 HydrophobicContact CE2-CG 3.79Å; Y164-T517 WeakPolarHBondContact O-CA 3.36Å; Y164-V518 HydrophobicContact CE1-CB 4.06Å; Y164-V518 HydrophobicContact CE1-CG1 4.26Å; Y164-V518 HydrophobicContact CE2-CB 4.05Å; Y164-V518 HydrophobicContact CE2-CG2 4.02Å; Y164-V518 PolarHBondContact N-O 3.42Å; Y164-V518 PolarHBondContact O-N 3.15Å; Y164-F520 HydrophobicContact CD1-CE2 4.47Å; Y164-F520 HydrophobicContact CE1-CD2 4.08Å; Y164-F520 AromaticContact CE1-CE2 3.49Å; Y164-F520 HydrophobicContact CE1-CE2 3.49Å; Y164-F520 VanDerWaalsContact CE1-CE2 3.49Å; Y164-F520 HydrophobicContact CE1-CZ 4.49Å
165T98.4Very high96.5Very high17 Ų1746.9 Ų46.910%0.10426%0.264CS..EExtended strand (participates in β ladder)trans-106.2154.2172.968.50000113.1G152 R153 I155 V515 K516G152-T165 WeakPolarHBondContact CA-O 3.34Å; G152-T165 VanDerWaalsContact CA-OG1 3.29Å; G152-T165 WeakPolarHBondContact CA-OG1 3.39Å; R153-T165 PolarHBondContact N-OG1 3.22Å; R153-T165 PolarHBondContact O-N 3.34Å; I155-T165 HydrophobicContact CD1-CG2 3.77Å; I155-T165 HydrophobicContact CG1-CG2 4.47Å; T165-V515 HydrophobicContact CG2-CG1 3.93Å; T165-K516 CarbonylContact C-O 3.41Å; T165-K516 WeakPolarHBondContact CA-O 3.24Å
166L97.4Very high96.6Very high67 Ų6744.3 Ų44.335%0.35125%0.251SS..EExtended strand (participates in β ladder)trans-119.9142.9167.8-62.3171.6000108.6Y164 E168 V515 K516 V518Y164-L166 HydrophobicContact CD2-CD2 4.18Å; Y164-L166 HydrophobicContact CD2-CG 4.23Å; Y164-L166 HydrophobicContact CE2-CD1 4.19Å; Y164-L166 HydrophobicContact CE2-CD2 3.77Å; Y164-L166 HydrophobicContact CE2-CG 3.79Å; L166-E168 HydrophobicContact CB-CG 4.43Å; L166-V515 WeakPolarHBondContact O-CA 3.29Å; L166-K516 HydrophobicContact CB-CB 4.38Å; L166-K516 HydrophobicContact CD1-CD 4.42Å; L166-K516 PolarHBondContact N-O 3.33Å; L166-K516 PolarHBondContact O-N 3.06Å; L166-V518 HydrophobicContact CD1-CG2 4.2Å
167L96.9Very high96.8Very high45 Ų4538.5 Ų38.524%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-99.1113.5167.1-65.4-178000108.6L150 S151 C513 E514 V515L150-L167 HydrophobicContact CB-CD1 4.39Å; S151-L167 WeakPolarHBondContact O-CD1 3.16Å; L167-C513 HydrophobicContact CB-CB 4.33Å; L167-C513 HydrophobicContact CD2-CB 4.35Å; L167-E514 WeakPolarHBondContact CA-O 3.48Å; L167-V515 HydrophobicContact CD2-CB 4.48Å; L167-V515 HydrophobicContact CD2-CG2 3.75Å
168E97.1Very high96.9Very high55 Ų5537.2 Ų37.226%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-111.2143.9-179.9-61.4-169.1152.800110.6L166 V170 C513 E514 K516L166-E168 HydrophobicContact CB-CG 4.43Å; E168-V170 PolarHBondContact O-N 3.25Å; E168-C513 CarbonylContact O-C 3.52Å; E168-C513 WeakPolarHBondContact O-CA 3.49Å; E168-E514 PolarHBondContact N-O 3.37Å; E168-E514 PolarHBondContact O-N 3.49Å; E168-K516 WeakPolarHBondContact OE1-CE 3.48Å; E168-K516 IonicContact OE1-NZ 2.74Å; E168-K516 PolarHBondContact OE1-NZ 2.89Å; E168-K516 WeakPolarHBondContact OE2-CE 3.35Å; E168-K516 IonicContact OE2-NZ 2.82Å; E168-K516 PolarHBondContact OE2-NZ 3.48Å
169P98.2Very high96.9Very high29 Ų2931.4 Ų31.419%0.18817%0.171CC..EExtended strand (participates in β ladder)trans-60.5137.6174.121.9-31.1000111.6F82 G171 A196F82-P169 HydrophobicContact CE2-CB 3.96Å; F82-P169 HydrophobicContact CE2-CG 3.8Å; F82-P169 HydrophobicContact CZ-CB 4.29Å; F82-P169 HydrophobicContact CZ-CG 4.06Å; P169-G171 VanDerWaalsContact C-N 3.32Å; P169-G171 PolarHBondContact O-N 3.21Å; P169-A196 WeakPolarHBondContact CB-O 3.34Å
170V98.2Very high97.2Very high19 Ų1928.8 Ų28.812%0.11514%0.143CC..  trans-63.4-36.1178.666.70000112.8E168 D255 K256 K280 Y512E168-V170 PolarHBondContact O-N 3.25Å; V170-D255 HydrophobicContact CG2-CB 4.04Å; V170-K256 HydrophobicContact CG1-CB 3.77Å; V170-K256 HydrophobicContact CG1-CD 3.96Å; V170-K256 HydrophobicContact CG1-CG 4.49Å; V170-K256 HydrophobicContact CG2-CB 4.37Å; V170-K280 HydrophobicContact CG2-CD 4.11Å; V170-Y512 PolarHBondContact N-O 2.79Å
171G98.6Very high97.4Very high0 Ų026.9 Ų26.90%013%0.129CC..  trans136.5-123.8173.600000115.6F82 P169 C198 T199 D255F82-G171 VanDerWaalsContact CE1-CA 3.41Å; P169-G171 VanDerWaalsContact C-N 3.32Å; P169-G171 PolarHBondContact O-N 3.21Å; G171-C198 WeakPolarHBondContact O-CA 3.34Å; G171-C198 VanDerWaalsContact O-CB 3.23Å; G171-C198 WeakPolarHBondContact O-CB 2.94Å; G171-T199 PolarHBondContact O-N 3.49Å; G171-D255 VanDerWaalsContact CA-OD2 3.3Å; G171-D255 WeakPolarHBondContact CA-OD2 3.41Å
172V98.8Very high97.6Very high0 Ų022.9 Ų22.90%011%0.112CC..EExtended strand (participates in β ladder)trans-83.4115.3176.5179.50000108.8V75 A78 R79 F82 T199 V201 V254 D255 K256V75-V172 HydrophobicContact CG1-CG1 4.47Å; A78-V172 HydrophobicContact CB-CG1 3.75Å; A78-V172 HydrophobicContact CB-CG2 4.03Å; R79-V172 HydrophobicContact CB-CG2 4.49Å; R79-V172 HydrophobicContact CG-CG2 3.87Å; F82-V172 HydrophobicContact CB-CG2 4.47Å; V172-T199 WeakPolarHBondContact CG2-OG1 3.47Å; V172-V201 HydrophobicContact CG1-CG2 4.5Å; V172-V254 HydrophobicContact CG1-CG2 4.37Å; V172-D255 PolarHBondContact N-OD2 2.98Å; V172-D255 PolarHBondContact O-N 3.46Å; V172-K256 PolarHBondContact O-N 2.9Å
173C98.9Very high97.7Very high0 Ų018.5 Ų18.50%09%0.093CC..EExtended strand (participates in β ladder)trans-104.4127.8-179.2-62.50000110.6T199 M200 V201 K256 Y512C173-T199 PolarHBondContact N-O 3.5Å; C173-M200 HydrophobicContact CB-CG 4.23Å; C173-M200 CarbonylContact O-C 3.42Å; C173-M200 VanDerWaalsContact O-CA 3.23Å; C173-M200 WeakPolarHBondContact O-CA 3.37Å; C173-V201 PolarHBondContact O-N 3.14Å; C173-K256 CarbonylContact C-O 3.4Å; C173-K256 VanDerWaalsContact CA-O 3.3Å; C173-K256 WeakPolarHBondContact CA-O 3.38Å; C173-K256 HydrophobicContact CB-CB 4.49Å; C173-Y512 HydrophobicContact CB-CD1 4.46Å; C173-Y512 HydrophobicContact CB-CE1 4.4Å
174A98.8Very high97.7Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-88.2138.316700000110.6V201 L248 V254 K256 I257 T258A174-V201 CarbonylContact C-O 3.43Å; A174-V201 WeakPolarHBondContact CA-O 3.04Å; A174-L248 HydrophobicContact CB-CD1 3.8Å; A174-L248 HydrophobicContact CB-CD2 3.62Å; A174-L248 HydrophobicContact CB-CG 3.46Å; A174-L248 VanDerWaalsContact CB-CG 3.46Å; A174-V254 HydrophobicContact CB-CG1 3.63Å; A174-V254 HydrophobicContact CB-CG2 4.43Å; A174-K256 PolarHBondContact N-O 3.35Å; A174-I257 HydrophobicContact CB-CB 4.15Å; A174-I257 HydrophobicContact CB-CD1 4.09Å; A174-I257 HydrophobicContact CB-CG1 3.9Å; A174-I257 WeakPolarHBondContact O-CA 3.48Å; A174-T258 VanDerWaalsContact O-CG2 3.28Å; A174-T258 WeakPolarHBondContact O-CG2 3.26Å; A174-T258 PolarHBondContact O-N 3.17Å
175A98.8Very high97.8Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-125.9121.6169.600000111L177 K189 M200 V201 I202 K203 T258A175-L177 HydrophobicContact CB-CD2 4.34Å; A175-K189 HydrophobicContact CB-CB 4.29Å; A175-K189 HydrophobicContact CB-CD 3.62Å; A175-M200 HydrophobicContact CB-CE 3.43Å; A175-M200 VanDerWaalsContact CB-CE 3.43Å; A175-V201 PolarHBondContact N-O 3Å; A175-I202 HydrophobicContact CB-CG1 4.28Å; A175-I202 HydrophobicContact CB-CG2 4.39Å; A175-I202 CarbonylContact O-C 3.35Å; A175-I202 WeakPolarHBondContact O-CA 3.24Å; A175-K203 PolarHBondContact O-N 2.73Å; A175-T258 WeakPolarHBondContact CA-O 3.27Å; A175-T258 HydrophobicContact CB-CG2 3.94Å
176I98.7Very high97.8Very high11 Ų1115.9 Ų15.96%0.0568%0.082CC..EExtended strand (participates in β ladder)trans-107.8118171-61.3173.2000107.4K203 G245 L248 I257 T258 F259 T260 I269I176-K203 HydrophobicContact CG1-CB 4.35Å; I176-K203 HydrophobicContact CG2-CD 4.44Å; I176-G245 WeakPolarHBondContact CD1-O 3.47Å; I176-L248 HydrophobicContact CG1-CD2 4.24Å; I176-I257 HydrophobicContact CD1-CD1 3.95Å; I176-T258 PolarHBondContact N-O 3.26Å; I176-F259 HydrophobicContact CB-CD2 3.79Å; I176-F259 HydrophobicContact CG2-CD2 3.65Å; I176-F259 HydrophobicContact CG2-CE2 3.91Å; I176-T260 PolarHBondContact O-N 3.47Å; I176-I269 HydrophobicContact CD1-CD1 3.71Å
177L98.3Very high97.8Very high8 Ų812.7 Ų12.74%0.0427%0.066CC..  trans-101.1149.2-171.9-50.3179.9000111.8A175 L186 K189 I202 K203 A205A175-L177 HydrophobicContact CB-CD2 4.34Å; L177-L186 HydrophobicContact CD1-CB 3.68Å; L177-L186 HydrophobicContact CD1-CD1 4.19Å; L177-L186 HydrophobicContact CD1-CG 4.14Å; L177-K189 HydrophobicContact CD2-CD 3.47Å; L177-K189 VanDerWaalsContact CD2-CD 3.47Å; L177-K189 HydrophobicContact CD2-CG 4.49Å; L177-I202 HydrophobicContact CD1-CG2 3.62Å; L177-I202 HydrophobicContact CG-CG2 3.94Å; L177-K203 PolarHBondContact N-O 2.9Å; L177-A205 WeakPolarHBondContact O-CB 3.48Å; L177-A205 PolarHBondContact O-N 2.85Å
178P95.8Very high97.9Very high14 Ų1410.5 Ų10.59%0.0915%0.054CC..  trans-89.8177.917039.3-35.2000110.1N180 L185 T260P178-N180 WeakPolarHBondContact CG-OD1 3.35Å; P178-L185 HydrophobicContact CG-CD1 3.26Å; P178-T260 WeakPolarHBondContact CB-O 3.29Å; P178-T260 VanDerWaalsContact CD-O 3.31Å; P178-T260 WeakPolarHBondContact CD-O 3.41Å; P178-T260 HydrophobicContact CG-CG2 3.81Å
179W94.7Very high98Very high33 Ų338 Ų813%0.1254%0.042CC..SBendtrans-97.8-12.7-17149-104.6000115.1P182 A205 Q207 T208 Q316 A361 Q376 F428W179-P182 WeakPolarHBondContact O-CD 3.24Å; W179-P182 VanDerWaalsContact O-CG 3.29Å; W179-P182 WeakPolarHBondContact O-CG 3.35Å; W179-A205 HydrophobicContact CB-CB 3.71Å; W179-Q207 HydrophobicContact CB-CB 3.84Å; W179-Q207 HydrophobicContact CB-CG 4.41Å; W179-Q207 HydrophobicContact CG-CB 4.28Å; W179-Q207 HydrophobicContact CG-CG 4.35Å; W179-T208 VanDerWaalsContact CA-OG1 3.27Å; W179-T208 WeakPolarHBondContact CA-OG1 3.43Å; W179-T208 HydrophobicContact CB-CG2 3.75Å; W179-T208 WeakPolarHBondContact O-CG2 3.27Å; W179-Q316 HydrophobicContact CH2-CB 3.87Å; W179-Q316 HydrophobicContact CH2-CG 3.86Å; W179-Q316 HydrophobicContact CZ3-CB 3.75Å; W179-Q316 HydrophobicContact CZ3-CG 3.96Å; W179-A361 HydrophobicContact CD2-CB 3.85Å; W179-A361 HydrophobicContact CE3-CB 3.26Å; W179-A361 HydrophobicContact CH2-CB 3.84Å; W179-A361 HydrophobicContact CZ2-CB 4.37Å; W179-A361 HydrophobicContact CZ3-CB 3.29Å; W179-Q376 HydrophobicContact CZ2-CG 4.4Å; W179-F428 AromaticContact CH2-CD1 3.53Å; W179-F428 HydrophobicContact CH2-CD1 3.53Å; W179-F428 AromaticContact CH2-CE1 3.3Å; W179-F428 HydrophobicContact CH2-CE1 3.3Å; W179-F428 AromaticContact CZ2-CD1 3.77Å; W179-F428 HydrophobicContact CZ2-CD1 3.77Å; W179-F428 AromaticContact CZ2-CE1 3.58Å; W179-F428 HydrophobicContact CZ2-CE1 3.58Å; W179-F428 AromaticContact CZ3-CE1 3.95Å; W179-F428 HydrophobicContact CZ3-CE1 3.95Å
180N95.1Very high98Very high6 Ų66.6 Ų6.63%0.0323%0.033CC..SBendtrans-79.6-32.6-168.463.5-37.8000113.9K124 P178 N313 Q316 F428K124-N180 WeakPolarHBondContact CE-O 3.43Å; K124-N180 PolarHBondContact NZ-O 3.14Å; P178-N180 WeakPolarHBondContact CG-OD1 3.35Å; N180-N313 PolarHBondContact O-ND2 3.11Å; N180-N313 VanDerWaalsContact O-ND2 3.11Å; N180-Q316 HydrophobicContact CB-CB 4.37Å; N180-Q316 WeakPolarHBondContact CB-O 3.06Å; N180-Q316 PolarHBondContact ND2-O 3.42Å; N180-F428 HydrophobicContact CB-CE1 4.09Å; N180-F428 HydrophobicContact CB-CZ 4.11Å; N180-F428 WeakPolarHBondContact ND2-CZ 3.13Å
181F97.4Very high98Very high15 Ų155.7 Ų5.77%0.0663%0.028CC..SBendtrans-135.265.7174.9-63-75.1000110.9M1 D132 L183 V184 L185 N313M1-F181 HydrophobicContact CE-CB 4.49Å; M1-F181 HydrophobicContact CE-CD1 3.55Å; M1-F181 HydrophobicContact CE-CD2 4.06Å; M1-F181 HydrophobicContact CE-CE1 3.65Å; M1-F181 HydrophobicContact CE-CE2 4.15Å; M1-F181 HydrophobicContact CE-CG 3.78Å; M1-F181 HydrophobicContact CE-CZ 3.96Å; D132-F181 WeakPolarHBondContact OD2-CD1 3.36Å; F181-L183 PolarHBondContact O-N 2.74Å; F181-V184 HydrophobicContact CB-CB 4.16Å; F181-V184 PolarHBondContact O-N 3.14Å; F181-L185 HydrophobicContact CB-CD1 4.06Å; F181-L185 HydrophobicContact CB-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CB 3.18Å; F181-L185 WeakPolarHBondContact O-CG 3.41Å; F181-L185 PolarHBondContact O-N 3.2Å; F181-N313 HydrophobicContact CE1-CB 4.22Å; F181-N313 HydrophobicContact CZ-CB 3.83Å; F181-N313 WeakPolarHBondContact CZ-ND2 3.37Å
182P97.5Very high98Very high5 Ų55.7 Ų5.73%0.0323%0.028CC..Hα-helixtrans-58.3-53.1-162.2-24.534.1000114V122 W179 L186 T208V122-P182 HydrophobicContact CG2-CG 3.63Å; W179-P182 WeakPolarHBondContact O-CD 3.24Å; W179-P182 VanDerWaalsContact O-CG 3.29Å; W179-P182 WeakPolarHBondContact O-CG 3.35Å; P182-L186 WeakPolarHBondContact O-CB 3.48Å; P182-L186 PolarHBondContact O-N 3.18Å; P182-T208 HydrophobicContact CG-CG2 4.07Å; P182-T208 WeakPolarHBondContact CG-OG1 3.4Å
183L98.3Very high98Very high0 Ų05.7 Ų5.70%03%0.028CC..Hα-helixtrans-76.7-37.8-176.6-171.967.4000112.3L107 L114 E118 I133 A136 F181 L185 L186 C187 F215L107-L183 HydrophobicContact CD1-CD2 4.32Å; L107-L183 HydrophobicContact CD2-CD2 4.07Å; L114-L183 HydrophobicContact CD1-CD2 4.08Å; L114-L183 HydrophobicContact CD2-CD2 4.2Å; E118-L183 WeakPolarHBondContact OE1-CB 3.43Å; E118-L183 PolarHBondContact OE1-N 2.87Å; I133-L183 HydrophobicContact CD1-CB 4.46Å; I133-L183 HydrophobicContact CD1-CD2 3.63Å; I133-L183 HydrophobicContact CG2-CD2 4.27Å; A136-L183 HydrophobicContact CB-CD2 4.13Å; A136-L183 HydrophobicContact CB-CG 3.98Å; F181-L183 PolarHBondContact O-N 2.74Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 3.32Å; L183-L186 HydrophobicContact CD1-CD2 4.41Å; L183-L186 WeakPolarHBondContact O-CB 3.36Å; L183-L186 PolarHBondContact O-N 2.99Å; L183-C187 WeakPolarHBondContact O-CB 3.41Å; L183-C187 PolarHBondContact O-N 3.17Å; L183-C187 PolarHBondContact O-SG 2.66Å; L183-F215 HydrophobicContact CD1-CB 4.22Å; L183-F215 HydrophobicContact CD1-CD2 4.19Å
184V98.7Very high98Very high3 Ų35.8 Ų5.82%0.0183%0.029CC..Hα-helixtrans-56.4-48.6175.8168.60000110.3M1 D132 F135 A136 I139 F181 C187 A188M1-V184 HydrophobicContact CE-CG1 4.24Å; D132-V184 HydrophobicContact CB-CG2 3.77Å; D132-V184 WeakPolarHBondContact O-CG2 3.48Å; F135-V184 HydrophobicContact CB-CG2 4.46Å; F135-V184 HydrophobicContact CD1-CB 4.45Å; F135-V184 HydrophobicContact CD1-CG1 3.57Å; F135-V184 HydrophobicContact CD1-CG2 3.99Å; F135-V184 HydrophobicContact CE1-CG1 3.77Å; A136-V184 HydrophobicContact CB-CG2 4.26Å; I139-V184 HydrophobicContact CD1-CG1 3.93Å; F181-V184 HydrophobicContact CB-CB 4.16Å; F181-V184 PolarHBondContact O-N 3.14Å; V184-C187 PolarHBondContact O-N 3.43Å; V184-A188 WeakPolarHBondContact O-CB 2.92Å; V184-A188 PolarHBondContact O-N 2.93Å
185L98.4Very high97.9Very high22 Ų225.8 Ų5.812%0.1153%0.029CC..Hα-helixtrans-75.5-27.4-178.2-66.4175000112.9P178 F181 L183 K189 T260P178-L185 HydrophobicContact CG-CD1 3.26Å; F181-L185 HydrophobicContact CB-CD1 4.06Å; F181-L185 HydrophobicContact CB-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CB 3.18Å; F181-L185 WeakPolarHBondContact O-CG 3.41Å; F181-L185 PolarHBondContact O-N 3.2Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 3.32Å; L185-K189 WeakPolarHBondContact O-CG 3.37Å; L185-K189 PolarHBondContact O-N 3.27Å; L185-T260 HydrophobicContact CD1-CG2 4.08Å
186L98.7Very high97.9Very high1 Ų16 Ų61%0.0053%0.031CC..Hα-helixtrans-59-52.4165.3-176.8153.3000110.2L177 P182 L183 A188 K189 V190 A212 F215L177-L186 HydrophobicContact CD1-CB 3.68Å; L177-L186 HydrophobicContact CD1-CD1 4.19Å; L177-L186 HydrophobicContact CD1-CG 4.14Å; P182-L186 WeakPolarHBondContact O-CB 3.48Å; P182-L186 PolarHBondContact O-N 3.18Å; L183-L186 HydrophobicContact CD1-CD2 4.41Å; L183-L186 WeakPolarHBondContact O-CB 3.36Å; L183-L186 PolarHBondContact O-N 2.99Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.44Å; L186-K189 PolarHBondContact O-N 2.98Å; L186-K189 VanDerWaalsContact O-N 3.15Å; L186-V190 HydrophobicContact CD2-CB 4.34Å; L186-V190 HydrophobicContact CD2-CG2 3.73Å; L186-V190 HydrophobicContact CG-CG2 4.23Å; L186-V190 WeakPolarHBondContact O-CB 3.01Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.37Å; L186-A212 HydrophobicContact CD1-CB 3.6Å; L186-F215 HydrophobicContact CD1-CB 4.37Å; L186-F215 HydrophobicContact CD1-CD1 4.46Å; L186-F215 HydrophobicContact CD1-CG 4.43Å; L186-F215 HydrophobicContact CD2-CD1 3.86Å; L186-F215 HydrophobicContact CD2-CD2 3.93Å; L186-F215 HydrophobicContact CD2-CE1 3.96Å; L186-F215 HydrophobicContact CD2-CE2 4.05Å; L186-F215 HydrophobicContact CD2-CG 3.85Å; L186-F215 HydrophobicContact CD2-CZ 4.06Å
187C98.8Very high97.9Very high0 Ų05.7 Ų5.70%03%0.03CC..Hα-helixtrans-67.6-32.6-178.6-69.80000112.8A136 I139 L140 L183 V184 K189 G191A136-C187 HydrophobicContact CB-CB 4.07Å; I139-C187 HydrophobicContact CB-CB 4.42Å; I139-C187 HydrophobicContact CG2-CB 4.29Å; I139-C187 WeakPolarHBondContact CG2-O 3.47Å; L140-C187 HydrophobicContact CD2-CB 3.93Å; L140-C187 HydrophobicContact CG-CB 3.99Å; L183-C187 WeakPolarHBondContact O-CB 3.41Å; L183-C187 PolarHBondContact O-N 3.17Å; L183-C187 PolarHBondContact O-SG 2.66Å; V184-C187 PolarHBondContact O-N 3.43Å; C187-K189 PolarHBondContact O-N 3.48Å; C187-G191 PolarHBondContact O-N 3.25Å
188A98.4Very high97.9Very high0 Ų05.3 Ų5.30%03%0.028CC..Hα-helixtrans-60.4-25.5173.300000113I139 V184 L186 P192I139-A188 HydrophobicContact CD1-CB 4.42Å; V184-A188 WeakPolarHBondContact O-CB 2.92Å; V184-A188 PolarHBondContact O-N 2.93Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.44Å; A188-P192 WeakPolarHBondContact O-CD 3.22Å; A188-P192 WeakPolarHBondContact O-CG 3.31Å
189K98.6Very high98Very high1 Ų14.7 Ų4.70%0.0042%0.024CC..Hα-helixtrans-99.7-41.5176.9-60.5178.5-166-61.20112.7A175 L177 L185 L186 C187 P192 A193 M200 T258 T260 E503A175-K189 HydrophobicContact CB-CB 4.29Å; A175-K189 HydrophobicContact CB-CD 3.62Å; L177-K189 HydrophobicContact CD2-CD 3.47Å; L177-K189 VanDerWaalsContact CD2-CD 3.47Å; L177-K189 HydrophobicContact CD2-CG 4.49Å; L185-K189 WeakPolarHBondContact O-CG 3.37Å; L185-K189 PolarHBondContact O-N 3.27Å; L186-K189 PolarHBondContact O-N 2.98Å; L186-K189 VanDerWaalsContact O-N 3.15Å; C187-K189 PolarHBondContact O-N 3.48Å; K189-P192 WeakPolarHBondContact O-CD 3.46Å; K189-A193 WeakPolarHBondContact O-CB 3.47Å; K189-A193 PolarHBondContact O-N 3.33Å; K189-M200 HydrophobicContact CB-CE 3.95Å; K189-T258 HydrophobicContact CB-CG2 4.33Å; K189-T258 HydrophobicContact CD-CG2 3.72Å; K189-T258 HydrophobicContact CG-CG2 4.08Å; K189-T258 PolarHBondContact NZ-OG1 3.31Å; K189-T260 WeakPolarHBondContact CE-OG1 3.45Å; K189-T260 PolarHBondContact NZ-OG1 2.85Å; K189-E503 IonicContact NZ-OE1 2.7Å; K189-E503 PolarHBondContact NZ-OE1 3.15Å
190V98.6Very high98.2Very high0 Ų03.1 Ų3.10%02%0.018CC..Hα-helixtrans-63.9-44.6177.4170.50000111.9L140 L186 A193 L194 M200 I202 F215 I234L140-V190 HydrophobicContact CD2-CG1 4.31Å; L186-V190 HydrophobicContact CD2-CB 4.34Å; L186-V190 HydrophobicContact CD2-CG2 3.73Å; L186-V190 HydrophobicContact CG-CG2 4.23Å; L186-V190 WeakPolarHBondContact O-CB 3.01Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.37Å; V190-A193 PolarHBondContact O-N 3.29Å; V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.09Å; V190-L194 WeakPolarHBondContact O-CB 3.38Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.5Å; V190-M200 VanDerWaalsContact CA-SD 3.56Å; V190-M200 HydrophobicContact CB-SD 4.3Å; V190-M200 HydrophobicContact CG2-SD 3.87Å; V190-I202 HydrophobicContact CG2-CD1 3.57Å; V190-F215 HydrophobicContact CG1-CE1 4.48Å; V190-F215 HydrophobicContact CG1-CZ 4.1Å; V190-I234 HydrophobicContact CG1-CD1 4.22Å
191G98.4Very high98.4Very high0 Ų02.9 Ų2.90%02%0.017CC..Hα-helixtrans-51.6-64.117900000113.3C187 A193 C195C187-G191 PolarHBondContact O-N 3.25Å; G191-A193 PolarHBondContact O-N 2.87Å; G191-C195 WeakPolarHBondContact O-CB 3.35Å; G191-C195 PolarHBondContact O-N 3.45Å
192P98.6Very high98.5Very high1 Ų12.2 Ų2.21%0.0061%0.014CC..Hα-helixtrans-67.5-35.4-177.525.9-32.6000112.8F143 A188 K189 C195 A196 V509 Y512F143-P192 HydrophobicContact CD1-CB 4.1Å; F143-P192 HydrophobicContact CE1-CB 3.71Å; F143-P192 HydrophobicContact CE1-CG 4.39Å; F143-P192 HydrophobicContact CE2-CB 4.34Å; F143-P192 VanDerWaalsContact CE2-CD 3.49Å; F143-P192 HydrophobicContact CE2-CG 4.18Å; F143-P192 HydrophobicContact CZ-CB 3.8Å; F143-P192 HydrophobicContact CZ-CG 3.99Å; A188-P192 WeakPolarHBondContact O-CD 3.22Å; A188-P192 WeakPolarHBondContact O-CG 3.31Å; K189-P192 WeakPolarHBondContact O-CD 3.46Å; P192-C195 WeakPolarHBondContact O-CB 3.49Å; P192-C195 PolarHBondContact O-N 3.01Å; P192-A196 WeakPolarHBondContact O-CB 3.49Å; P192-A196 PolarHBondContact O-N 2.81Å; P192-V509 HydrophobicContact CB-CB 4.48Å; P192-V509 HydrophobicContact CB-CG2 3.97Å; P192-Y512 HydrophobicContact CB-CD2 3.76Å; P192-Y512 HydrophobicContact CB-CE2 3.69Å; P192-Y512 HydrophobicContact CG-CD2 4.14Å; P192-Y512 HydrophobicContact CG-CE2 3.54Å
193A98.7Very high98.5Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-63.2-48.9179.200000112.2K189 V190 G191 A196 G197 C198 M200 Y512K189-A193 WeakPolarHBondContact O-CB 3.47Å; K189-A193 PolarHBondContact O-N 3.33Å; V190-A193 PolarHBondContact O-N 3.29Å; G191-A193 PolarHBondContact O-N 2.87Å; A193-A196 PolarHBondContact O-N 3.28Å; A193-G197 PolarHBondContact O-N 3.1Å; A193-G197 VanDerWaalsContact O-N 3.07Å; A193-C198 HydrophobicContact CB-CB 4.23Å; A193-C198 WeakPolarHBondContact O-CB 3.42Å; A193-C198 PolarHBondContact O-N 3.42Å; A193-M200 HydrophobicContact CB-CE 4.37Å; A193-M200 HydrophobicContact CB-CG 3.75Å; A193-M200 HydrophobicContact CB-SD 3.39Å; A193-M200 WeakPolarHBondContact CB-SD 3.19Å; A193-Y512 HydrophobicContact CB-CD1 3.66Å; A193-Y512 HydrophobicContact CB-CE1 3.68Å; A193-Y512 HydrophobicContact CB-CG 4.35Å
194L98.2Very high98.5Very high1 Ų12.3 Ų2.31%0.0051%0.014CC..Hα-helixtrans-72.3-32.8178.2-59.6-171.9000112W88 R96 L100 V190 A196 G197 C198 V233 I234W88-L194 HydrophobicContact CH2-CB 4.33Å; W88-L194 HydrophobicContact CH2-CD2 4.13Å; W88-L194 HydrophobicContact CZ2-CB 4.39Å; W88-L194 HydrophobicContact CZ2-CD2 3.8Å; R96-L194 VanDerWaalsContact CD-O 3.31Å; R96-L194 WeakPolarHBondContact CD-O 3.4Å; R96-L194 PolarHBondContact NE-O 2.82Å; L100-L194 HydrophobicContact CD1-CB 4.49Å; L100-L194 HydrophobicContact CD2-CB 4.2Å; L100-L194 HydrophobicContact CD2-CD1 4.23Å; V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.09Å; V190-L194 WeakPolarHBondContact O-CB 3.38Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.5Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.25Å; L194-G197 PolarHBondContact O-N 3.3Å; L194-C198 WeakPolarHBondContact CD2-O 3.44Å; L194-V233 HydrophobicContact CD2-CG1 3.52Å; L194-I234 HydrophobicContact CD1-CD1 3.79Å; L194-I234 HydrophobicContact CD1-CG1 4.19Å; L194-I234 HydrophobicContact CD2-CG1 4.45Å
195C98.1Very high98.4Very high0 Ų02.3 Ų2.30%02%0.015CC..Hα-helixtrans-54.3-50.4170.3174.20000110.7R96 L100 F143 A147 G191 P192 G197 V509R96-C195 PolarHBondContact NE-O 2.79Å; R96-C195 PolarHBondContact NH2-O 3.15Å; L100-C195 HydrophobicContact CD1-CB 4.25Å; F143-C195 HydrophobicContact CB-CB 4.08Å; F143-C195 HydrophobicContact CD1-CB 4.39Å; A147-C195 VanDerWaalsContact CA-SG 3.56Å; G191-C195 WeakPolarHBondContact O-CB 3.35Å; G191-C195 PolarHBondContact O-N 3.45Å; P192-C195 WeakPolarHBondContact O-CB 3.49Å; P192-C195 PolarHBondContact O-N 3.01Å; C195-G197 VanDerWaalsContact C-N 3.25Å; C195-G197 PolarHBondContact O-N 3.12Å; C195-V509 HydrophobicContact CB-CG1 4.48Å
196A98.2Very high98.1Very high5 Ų52.6 Ų2.64%0.0412%0.015CC..Hα-helixtrans-65.5-24.8174.700000113.6P169 P192 A193 L194 V509P169-A196 WeakPolarHBondContact CB-O 3.34Å; P192-A196 WeakPolarHBondContact O-CB 3.49Å; P192-A196 PolarHBondContact O-N 2.81Å; A193-A196 PolarHBondContact O-N 3.28Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.25Å; A196-V509 HydrophobicContact CB-CG1 4.1Å
197G97.8Very high97.8Very high5 Ų53 Ų35%0.0522%0.017CC..THydrogen-bonded Turntrans96.118-176.900000114.1W88 A193 L194 C195W88-G197 PolarHBondContact NE1-O 3.02Å; A193-G197 PolarHBondContact O-N 3.1Å; A193-G197 VanDerWaalsContact O-N 3.07Å; L194-G197 PolarHBondContact O-N 3.3Å; C195-G197 VanDerWaalsContact C-N 3.25Å; C195-G197 PolarHBondContact O-N 3.12Å
198C98.7Very high97.5Very high0 Ų03 Ų30%02%0.017CC..  trans-72.5169.2172.4-63.10000111.5W88 G171 A193 L194 Y512W88-C198 PolarHBondContact NE1-O 3.29Å; W88-C198 VanDerWaalsContact NE1-O 3.15Å; G171-C198 WeakPolarHBondContact O-CA 3.34Å; G171-C198 VanDerWaalsContact O-CB 3.23Å; G171-C198 WeakPolarHBondContact O-CB 2.94Å; A193-C198 HydrophobicContact CB-CB 4.23Å; A193-C198 WeakPolarHBondContact O-CB 3.42Å; A193-C198 PolarHBondContact O-N 3.42Å; L194-C198 WeakPolarHBondContact CD2-O 3.44Å; C198-Y512 PolarHBondContact SG-O 3.21Å
199T98.8Very high97.3Very high0 Ų03 Ų30%02%0.017CC..EExtended strand (participates in β ladder)trans-111.9158.9166.357.40000108.9A78 A81 F82 G171 V172 C173 V233A78-T199 PolarHBondContact O-OG1 3.47Å; A81-T199 HydrophobicContact CB-CG2 3.92Å; F82-T199 HydrophobicContact CB-CG2 3.97Å; F82-T199 HydrophobicContact CD2-CG2 4.37Å; G171-T199 PolarHBondContact O-N 3.49Å; V172-T199 WeakPolarHBondContact CG2-OG1 3.47Å; C173-T199 PolarHBondContact N-O 3.5Å; T199-V233 CarbonylContact C-O 3.46Å; T199-V233 WeakPolarHBondContact CA-O 3.45Å; T199-V233 HydrophobicContact CG2-CB 4.49Å; T199-V233 HydrophobicContact CG2-CG1 4.46Å; T199-V233 HydrophobicContact CG2-CG2 4.3Å
200M98.7Very high97.1Very high0 Ų03.3 Ų3.30%02%0.019CC..EExtended strand (participates in β ladder)trans-131.8142-172.8-69.2-162.779.100114.8C173 A175 K189 V190 A193 I202 V233 N235C173-M200 HydrophobicContact CB-CG 4.23Å; C173-M200 CarbonylContact O-C 3.42Å; C173-M200 VanDerWaalsContact O-CA 3.23Å; C173-M200 WeakPolarHBondContact O-CA 3.37Å; A175-M200 HydrophobicContact CB-CE 3.43Å; A175-M200 VanDerWaalsContact CB-CE 3.43Å; K189-M200 HydrophobicContact CB-CE 3.95Å; V190-M200 VanDerWaalsContact CA-SD 3.56Å; V190-M200 HydrophobicContact CB-SD 4.3Å; V190-M200 HydrophobicContact CG2-SD 3.87Å; A193-M200 HydrophobicContact CB-CE 4.37Å; A193-M200 HydrophobicContact CB-CG 3.75Å; A193-M200 HydrophobicContact CB-SD 3.39Å; A193-M200 WeakPolarHBondContact CB-SD 3.19Å; M200-I202 HydrophobicContact CB-CD1 4.45Å; M200-I202 HydrophobicContact CB-CG1 4.18Å; M200-I202 HydrophobicContact CE-CG1 4.24Å; M200-V233 PolarHBondContact N-O 3.16Å; M200-N235 PolarHBondContact O-N 3.16Å; M200-N235 PolarHBondContact O-ND2 3.45Å
201V98.9Very high97Very high1 Ų13.3 Ų3.31%0.0062%0.019CC..EExtended strand (participates in β ladder)trans-120.7120.9163.4-176.10000108.1A74 V75 A78 V172 C173 A174 A175 N235 I237 L248A74-V201 HydrophobicContact CB-CG1 3.78Å; A74-V201 HydrophobicContact CB-CG2 4.14Å; V75-V201 HydrophobicContact CG2-CG2 4.06Å; A78-V201 HydrophobicContact CB-CG2 4Å; V172-V201 HydrophobicContact CG1-CG2 4.5Å; C173-V201 PolarHBondContact O-N 3.14Å; A174-V201 CarbonylContact C-O 3.43Å; A174-V201 WeakPolarHBondContact CA-O 3.04Å; A175-V201 PolarHBondContact N-O 3Å; V201-N235 HydrophobicContact CG2-CB 4.4Å; V201-I237 HydrophobicContact CG1-CG1 4.22Å; V201-L248 HydrophobicContact CB-CD1 3.98Å; V201-L248 HydrophobicContact CG1-CD1 3.77Å; V201-L248 HydrophobicContact CG1-CD2 4.34Å
202I98.9Very high96.9Very high1 Ų13.5 Ų3.51%0.0052%0.02CC..EExtended strand (participates in β ladder)trans-117.6124.4-167.8-54.2168.9000109A175 L177 V190 M200 P204 I234 N235 I236 I237A175-I202 HydrophobicContact CB-CG1 4.28Å; A175-I202 HydrophobicContact CB-CG2 4.39Å; A175-I202 CarbonylContact O-C 3.35Å; A175-I202 WeakPolarHBondContact O-CA 3.24Å; L177-I202 HydrophobicContact CD1-CG2 3.62Å; L177-I202 HydrophobicContact CG-CG2 3.94Å; V190-I202 HydrophobicContact CG2-CD1 3.57Å; M200-I202 HydrophobicContact CB-CD1 4.45Å; M200-I202 HydrophobicContact CB-CG1 4.18Å; M200-I202 HydrophobicContact CE-CG1 4.24Å; I202-P204 WeakPolarHBondContact O-CD 3.36Å; I202-I234 HydrophobicContact CD1-CG2 4.08Å; I202-N235 PolarHBondContact N-O 3.33Å; I202-I236 HydrophobicContact CB-CG1 4.42Å; I202-I236 HydrophobicContact CD1-CG1 4.41Å; I202-I236 CarbonylContact O-C 3.51Å; I202-I236 WeakPolarHBondContact O-CA 3.18Å; I202-I237 PolarHBondContact O-N 3.38Å
203K98.6Very high96.7Very high5 Ų53.4 Ų3.42%0.0222%0.02CC..EExtended strand (participates in β ladder)trans-103.1102.4167.2-167.9-135.191.284.40109.5A175 I176 L177 E206 I237 G239 A244 L248A175-K203 PolarHBondContact O-N 2.73Å; I176-K203 HydrophobicContact CG1-CB 4.35Å; I176-K203 HydrophobicContact CG2-CD 4.44Å; L177-K203 PolarHBondContact N-O 2.9Å; K203-E206 IonicContact NZ-OE2 2.93Å; K203-E206 PolarHBondContact NZ-OE2 2.75Å; K203-I237 WeakPolarHBondContact CA-O 3.36Å; K203-I237 VanDerWaalsContact CG-O 3.31Å; K203-I237 WeakPolarHBondContact CG-O 3.06Å; K203-G239 PolarHBondContact NZ-O 2.89Å; K203-A244 HydrophobicContact CD-CB 4.23Å; K203-A244 HydrophobicContact CG-CB 4.02Å; K203-L248 HydrophobicContact CB-CD2 4.49Å
204P98Very high96.5Very high2 Ų24.6 Ų4.61%0.0133%0.025CC..  trans-66.9155.5171.630.9-34.7000110.5I202 P209 A212 I236 P238I202-P204 WeakPolarHBondContact O-CD 3.36Å; P204-P209 HydrophobicContact CG-CB 4.3Å; P204-A212 HydrophobicContact CB-CB 3.68Å; P204-A212 HydrophobicContact CG-CB 4.01Å; P204-I236 HydrophobicContact CG-CG2 4.09Å; P204-P238 HydrophobicContact CG-CB 4.14Å
205A95.5Very high96.4Very high4 Ų44.6 Ų4.63%0.0332%0.024CC..  trans-58.3139.3171.300000110.7L177 W179 Q207 T208L177-A205 WeakPolarHBondContact O-CB 3.48Å; L177-A205 PolarHBondContact O-N 2.85Å; W179-A205 HydrophobicContact CB-CB 3.71Å; A205-Q207 PolarHBondContact O-N 3.04Å; A205-T208 CarbonylContact O-C 3.38Å; A205-T208 PolarHBondContact O-N 3.36Å; A205-T208 VanDerWaalsContact O-N 3.1Å
206E93.2Very high96.2Very high27 Ų274.6 Ų4.613%0.1262%0.024CC..THydrogen-bonded Turntrans-65.6-19.5-179.655.5-88.5-152.400113F49 K203 F240 H364F49-E206 HydrophobicContact CE2-CB 4.09Å; F49-E206 WeakPolarHBondContact CE2-O 3.45Å; F49-E206 HydrophobicContact CZ-CB 4.32Å; K203-E206 IonicContact NZ-OE2 2.93Å; K203-E206 PolarHBondContact NZ-OE2 2.75Å; E206-F240 HydrophobicContact CB-CD1 4.07Å; E206-F240 HydrophobicContact CB-CE1 4.17Å; E206-F240 HydrophobicContact CG-CD1 3.79Å; E206-F240 HydrophobicContact CG-CE1 4.02Å; E206-H364 HydrophobicContact CG-CB 3.91Å
207Q91.6Very high95.8Very high10 Ų105.8 Ų5.85%0.0473%0.032CC..THydrogen-bonded Turntrans-76.2-27.3174.1-60.479.2-6.600112.7W179 A205 R362W179-Q207 HydrophobicContact CB-CB 3.84Å; W179-Q207 HydrophobicContact CB-CG 4.41Å; W179-Q207 HydrophobicContact CG-CB 4.28Å; W179-Q207 HydrophobicContact CG-CG 4.35Å; A205-Q207 PolarHBondContact O-N 3.04Å; Q207-R362 WeakPolarHBondContact CG-O 3.42Å
208T94.3Very high95.5Very high1 Ų15.6 Ų5.61%0.0063%0.03CC..SBendtrans-143.857.7-170.562.70000112.4D121 V122 W179 P182 A205 L210D121-T208 HydrophobicContact CB-CG2 4.4Å; D121-T208 VanDerWaalsContact OD2-CA 3.28Å; D121-T208 WeakPolarHBondContact OD2-CA 3.22Å; V122-T208 HydrophobicContact CB-CG2 4.31Å; V122-T208 HydrophobicContact CG2-CG2 3.67Å; W179-T208 VanDerWaalsContact CA-OG1 3.27Å; W179-T208 WeakPolarHBondContact CA-OG1 3.43Å; W179-T208 HydrophobicContact CB-CG2 3.75Å; W179-T208 WeakPolarHBondContact O-CG2 3.27Å; P182-T208 HydrophobicContact CG-CG2 4.07Å; P182-T208 WeakPolarHBondContact CG-OG1 3.4Å; A205-T208 CarbonylContact O-C 3.38Å; A205-T208 PolarHBondContact O-N 3.36Å; A205-T208 VanDerWaalsContact O-N 3.1Å; T208-L210 VanDerWaalsContact C-N 3.33Å
209P94.2Very high95.1Very high0 Ų05.6 Ų5.60%03%0.03CC..  trans-79.1-15.7-175.932.4-34.7000113.2F49 D51 I63 P204 T211 A212 L213 P238F49-P209 HydrophobicContact CE2-CG 4.43Å; D51-P209 HydrophobicContact CB-CG 4.47Å; I63-P209 HydrophobicContact CD1-CG 4.33Å; I63-P209 HydrophobicContact CG1-CG 3.87Å; I63-P209 HydrophobicContact CG2-CB 4.5Å; I63-P209 HydrophobicContact CG2-CG 4.46Å; P204-P209 HydrophobicContact CG-CB 4.3Å; P209-T211 PolarHBondContact O-N 3.24Å; P209-A212 PolarHBondContact O-N 3.26Å; P209-L213 HydrophobicContact CB-CD1 4.27Å; P209-L213 WeakPolarHBondContact O-CG 3.45Å; P209-L213 PolarHBondContact O-N 3.2Å; P209-L213 VanDerWaalsContact O-N 3.11Å; P209-P238 HydrophobicContact CB-CB 4.16Å
210L93.8Very high94.5Very high7 Ų77.9 Ų7.94%0.0374%0.044CC..Hα-helixtrans-66.6-45.4-161-59.4-177.2000113.6D51 I60 A61 I63 L117 D121 T208 L213 Y214D51-L210 WeakPolarHBondContact OD2-CD1 3.35Å; D51-L210 VanDerWaalsContact OD2-CG 3.22Å; D51-L210 WeakPolarHBondContact OD2-CG 3.48Å; I60-L210 HydrophobicContact CG2-CD1 3.87Å; A61-L210 HydrophobicContact CB-CD2 4.12Å; I63-L210 HydrophobicContact CD1-CD2 3.92Å; L117-L210 HydrophobicContact CB-CB 4.16Å; L117-L210 HydrophobicContact CD1-CB 4.48Å; L117-L210 HydrophobicContact CD2-CB 4.3Å; L117-L210 HydrophobicContact CD2-CD1 4.08Å; D121-L210 HydrophobicContact CB-CD1 4.13Å; D121-L210 WeakPolarHBondContact OD2-CB 3.47Å; D121-L210 WeakPolarHBondContact OD2-CG 3.49Å; T208-L210 VanDerWaalsContact C-N 3.33Å; L210-L213 PolarHBondContact O-N 3.2Å; L210-Y214 WeakPolarHBondContact O-CB 3.46Å; L210-Y214 PolarHBondContact O-N 2.88Å
211T95.3Very high93.7Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-72.1-30-178.651.30000113L114 L117 E118 P209 Y214 F215L114-T211 HydrophobicContact CD2-CG2 4.15Å; L117-T211 HydrophobicContact CB-CG2 3.8Å; E118-T211 HydrophobicContact CB-CG2 4.49Å; E118-T211 HydrophobicContact CG-CG2 3.43Å; E118-T211 VanDerWaalsContact CG-CG2 3.43Å; P209-T211 PolarHBondContact O-N 3.24Å; T211-Y214 PolarHBondContact O-N 3.37Å; T211-F215 WeakPolarHBondContact O-CB 3.1Å; T211-F215 PolarHBondContact O-N 2.65Å
212A96.9Very high92.8Very high3 Ų310.5 Ų10.53%0.0256%0.056CC..Hα-helixtrans-64.7-44.7171.100000111.1L186 P204 P209 Y214 F215 G216 I236L186-A212 HydrophobicContact CD1-CB 3.6Å; P204-A212 HydrophobicContact CB-CB 3.68Å; P204-A212 HydrophobicContact CG-CB 4.01Å; P209-A212 PolarHBondContact O-N 3.26Å; A212-Y214 VanDerWaalsContact C-N 3.34Å; A212-Y214 PolarHBondContact O-N 2.77Å; A212-F215 WeakPolarHBondContact O-CB 3.36Å; A212-F215 PolarHBondContact O-N 3.41Å; A212-G216 PolarHBondContact O-N 3.12Å; A212-G216 VanDerWaalsContact O-N 3.1Å; A212-I236 HydrophobicContact CB-CG2 4.05Å; A212-I236 WeakPolarHBondContact O-CD1 3.28Å
213L95Very high91.6Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-66.8-37.3177.1-64.7173.7000111.8L31 K33 I63 P209 L210 F215 G216 S217 I236 P238L31-L213 VanDerWaalsContact CD2-O 3.3Å; L31-L213 WeakPolarHBondContact CD2-O 3.27Å; L31-L213 WeakPolarHBondContact O-CB 3.48Å; L31-L213 WeakPolarHBondContact O-CD1 2.86Å; K33-L213 WeakPolarHBondContact O-CD2 3.21Å; I63-L213 HydrophobicContact CD1-CD1 4.37Å; I63-L213 HydrophobicContact CG2-CD1 3.97Å; P209-L213 HydrophobicContact CB-CD1 4.27Å; P209-L213 WeakPolarHBondContact O-CG 3.45Å; P209-L213 PolarHBondContact O-N 3.2Å; P209-L213 VanDerWaalsContact O-N 3.11Å; L210-L213 PolarHBondContact O-N 3.2Å; L213-F215 VanDerWaalsContact C-N 3.35Å; L213-G216 PolarHBondContact O-N 3.05Å; L213-G216 VanDerWaalsContact O-N 3.16Å; L213-S217 PolarHBondContact O-N 3.49Å; L213-I236 HydrophobicContact CD2-CG2 4.1Å; L213-P238 HydrophobicContact CD1-CB 4.5Å; L213-P238 HydrophobicContact CD1-CG 4.11Å; L213-P238 HydrophobicContact CD2-CG 4.07Å
214Y94.2Very high89.8Confident25 Ų2517.2 Ų17.210%0.09810%0.099CC..Hα-helixtrans-62.1-41.7172-162.6-81.5000111.9L31 D110 T113 L114 L117 L210 T211 A212 G216 S217 L218L31-Y214 HydrophobicContact CD1-CD2 3.6Å; L31-Y214 HydrophobicContact CD1-CE2 4.2Å; L31-Y214 HydrophobicContact CD2-CD2 4.41Å; D110-Y214 HydrophobicContact CB-CE1 3.99Å; D110-Y214 WeakPolarHBondContact OD2-CE1 3.33Å; D110-Y214 PolarHBondContact OD2-OH 2.83Å; T113-Y214 HydrophobicContact CG2-CD2 4.18Å; T113-Y214 HydrophobicContact CG2-CE2 3.45Å; T113-Y214 VanDerWaalsContact CG2-CE2 3.45Å; L114-Y214 HydrophobicContact CD2-CD1 3.42Å; L114-Y214 VanDerWaalsContact CD2-CD1 3.42Å; L114-Y214 HydrophobicContact CD2-CE1 4.16Å; L114-Y214 HydrophobicContact CD2-CG 3.85Å; L114-Y214 HydrophobicContact CG-CD1 3.93Å; L114-Y214 HydrophobicContact CG-CE1 4.16Å; L117-Y214 HydrophobicContact CD1-CD2 3.77Å; L117-Y214 HydrophobicContact CD1-CG 4.04Å; L210-Y214 WeakPolarHBondContact O-CB 3.46Å; L210-Y214 PolarHBondContact O-N 2.88Å; T211-Y214 PolarHBondContact O-N 3.37Å; A212-Y214 VanDerWaalsContact C-N 3.34Å; A212-Y214 PolarHBondContact O-N 2.77Å; Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 PolarHBondContact O-N 3Å; Y214-S217 WeakPolarHBondContact O-CA 3.38Å; Y214-S217 WeakPolarHBondContact O-CB 3.41Å; Y214-S217 PolarHBondContact O-N 3.35Å; Y214-S217 PolarHBondContact O-OG 3.04Å; Y214-L218 HydrophobicContact CD1-CD1 4Å; Y214-L218 HydrophobicContact CD1-CD2 4.43Å; Y214-L218 HydrophobicContact CD1-CG 3.96Å; Y214-L218 HydrophobicContact CE1-CD1 3.98Å; Y214-L218 HydrophobicContact CE1-CD2 3.82Å; Y214-L218 HydrophobicContact CE1-CG 3.85Å; Y214-L218 PolarHBondContact O-N 2.89Å; Y214-L218 VanDerWaalsContact O-N 3.11Å
215F95.1Very high88.2Confident0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-56.4-41.3172.9-178.3-89.6000111.7L103 L107 L140 L183 L186 V190 T211 A212 L213 S217 L218 V219 I234 I236L103-F215 HydrophobicContact CD1-CZ 4.13Å; L107-F215 HydrophobicContact CD2-CD2 4.12Å; L140-F215 HydrophobicContact CD1-CE2 4.15Å; L183-F215 HydrophobicContact CD1-CB 4.22Å; L183-F215 HydrophobicContact CD1-CD2 4.19Å; L186-F215 HydrophobicContact CD1-CB 4.37Å; L186-F215 HydrophobicContact CD1-CD1 4.46Å; L186-F215 HydrophobicContact CD1-CG 4.43Å; L186-F215 HydrophobicContact CD2-CD1 3.86Å; L186-F215 HydrophobicContact CD2-CD2 3.93Å; L186-F215 HydrophobicContact CD2-CE1 3.96Å; L186-F215 HydrophobicContact CD2-CE2 4.05Å; L186-F215 HydrophobicContact CD2-CG 3.85Å; L186-F215 HydrophobicContact CD2-CZ 4.06Å; V190-F215 HydrophobicContact CG1-CE1 4.48Å; V190-F215 HydrophobicContact CG1-CZ 4.1Å; T211-F215 WeakPolarHBondContact O-CB 3.1Å; T211-F215 PolarHBondContact O-N 2.65Å; A212-F215 WeakPolarHBondContact O-CB 3.36Å; A212-F215 PolarHBondContact O-N 3.41Å; L213-F215 VanDerWaalsContact C-N 3.35Å; F215-S217 VanDerWaalsContact C-N 3.27Å; F215-S217 PolarHBondContact O-N 2.87Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 2.79Å; F215-L218 VanDerWaalsContact O-N 3.13Å; F215-V219 HydrophobicContact CD1-CG2 4.15Å; F215-V219 HydrophobicContact CE1-CG2 3.82Å; F215-V219 HydrophobicContact CZ-CG2 4.41Å; F215-V219 WeakPolarHBondContact O-CG2 3.38Å; F215-V219 PolarHBondContact O-N 3.03Å; F215-I234 HydrophobicContact CE1-CD1 3.9Å; F215-I234 HydrophobicContact CE1-CG2 4.41Å; F215-I234 HydrophobicContact CZ-CD1 4.4Å; F215-I236 HydrophobicContact CD1-CD1 4.28Å
216G94Very high86.7Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-57.2-36.6171.800000113.5A212 L213 Y214 V219 V220A212-G216 PolarHBondContact O-N 3.12Å; A212-G216 VanDerWaalsContact O-N 3.1Å; L213-G216 PolarHBondContact O-N 3.05Å; L213-G216 VanDerWaalsContact O-N 3.16Å; Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 PolarHBondContact O-N 3Å; G216-V219 WeakPolarHBondContact O-CB 3.08Å; G216-V219 PolarHBondContact O-N 2.98Å; G216-V220 PolarHBondContact O-N 3.32Å; G216-V220 VanDerWaalsContact O-N 3.16Å
217S90.8Very high85Confident30 Ų3032 Ų3221%0.2119%0.185CC..Hα-helixtrans-70.7-33.8176.677.70000112.9L213 Y214 F215 V219 V220 E221L213-S217 PolarHBondContact O-N 3.49Å; Y214-S217 WeakPolarHBondContact O-CA 3.38Å; Y214-S217 WeakPolarHBondContact O-CB 3.41Å; Y214-S217 PolarHBondContact O-N 3.35Å; Y214-S217 PolarHBondContact O-OG 3.04Å; F215-S217 VanDerWaalsContact C-N 3.27Å; F215-S217 PolarHBondContact O-N 2.87Å; S217-V219 VanDerWaalsContact C-N 3.32Å; S217-V220 PolarHBondContact O-N 3.21Å; S217-E221 PolarHBondContact O-N 2.92Å
218L91.2Very high83.9Confident2 Ų231.8 Ų31.81%0.0119%0.187CC..Hα-helixtrans-68.2-34.5174.1-64.1179.7000111.6L106 L107 D110 L114 Y214 F215 V220 E221 Y222L106-L218 HydrophobicContact CB-CD1 4.33Å; L106-L218 HydrophobicContact CB-CD2 4.3Å; L106-L218 HydrophobicContact CD1-CB 4.46Å; L107-L218 HydrophobicContact CD2-CD1 3.59Å; D110-L218 WeakPolarHBondContact OD2-CD2 3.24Å; L114-L218 HydrophobicContact CD1-CD1 4.46Å; Y214-L218 HydrophobicContact CD1-CD1 4Å; Y214-L218 HydrophobicContact CD1-CD2 4.43Å; Y214-L218 HydrophobicContact CD1-CG 3.96Å; Y214-L218 HydrophobicContact CE1-CD1 3.98Å; Y214-L218 HydrophobicContact CE1-CD2 3.82Å; Y214-L218 HydrophobicContact CE1-CG 3.85Å; Y214-L218 PolarHBondContact O-N 2.89Å; Y214-L218 VanDerWaalsContact O-N 3.11Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 2.79Å; F215-L218 VanDerWaalsContact O-N 3.13Å; L218-V220 VanDerWaalsContact C-N 3.34Å; L218-E221 PolarHBondContact O-N 3.38Å; L218-Y222 PolarHBondContact O-N 3.41Å
219V90.5Very high83.6Confident0 Ų031.8 Ų31.80%019%0.186CC..Hα-helixtrans-60.3-44.3170.4171.10000110.9F35 L103 F215 G216 S217 Y222 L223 L229 I234F35-V219 HydrophobicContact CE1-CB 4.29Å; F35-V219 HydrophobicContact CE1-CG1 4.1Å; F35-V219 HydrophobicContact CZ-CB 4.08Å; F35-V219 HydrophobicContact CZ-CG1 3.82Å; L103-V219 HydrophobicContact CD2-CG2 4.16Å; F215-V219 HydrophobicContact CD1-CG2 4.15Å; F215-V219 HydrophobicContact CE1-CG2 3.82Å; F215-V219 HydrophobicContact CZ-CG2 4.41Å; F215-V219 WeakPolarHBondContact O-CG2 3.38Å; F215-V219 PolarHBondContact O-N 3.03Å; G216-V219 WeakPolarHBondContact O-CB 3.08Å; G216-V219 PolarHBondContact O-N 2.98Å; S217-V219 VanDerWaalsContact C-N 3.32Å; V219-Y222 PolarHBondContact O-N 2.82Å; V219-L223 PolarHBondContact O-N 3.04Å; V219-L229 HydrophobicContact CG1-CD2 3.51Å; V219-L229 HydrophobicContact CG2-CD2 4.38Å; V219-I234 HydrophobicContact CG2-CD1 4.03Å
220V86.2Confident83.5Confident47 Ų4732.7 Ų32.729%0.28519%0.192SC..Hα-helixtrans-64.7-40.4175.9177.50000112.2F35 F40 G216 S217 L218 Y222 L223 S224F35-V220 HydrophobicContact CD2-CG2 4.47Å; F35-V220 HydrophobicContact CE2-CG2 3.43Å; F35-V220 VanDerWaalsContact CE2-CG2 3.43Å; F35-V220 HydrophobicContact CZ-CG2 3.98Å; F40-V220 HydrophobicContact CE2-CG2 4.23Å; G216-V220 PolarHBondContact O-N 3.32Å; G216-V220 VanDerWaalsContact O-N 3.16Å; S217-V220 PolarHBondContact O-N 3.21Å; L218-V220 VanDerWaalsContact C-N 3.34Å; V220-Y222 VanDerWaalsContact C-N 3.35Å; V220-L223 WeakPolarHBondContact O-CB 3.33Å; V220-L223 PolarHBondContact O-N 2.73Å; V220-S224 PolarHBondContact O-N 3.45Å; V220-S224 PolarHBondContact O-OG 2.66Å
221E82.6Confident83.5Confident42 Ų4236.1 Ų36.120%0.19622%0.215CC..Hα-helixtrans-63.4-42.1176.8-176.9171.4174.200111.5R109 S217 L218 L223 S224 F225R109-E221 IonicContact CZ-OE1 3.9Å; R109-E221 IonicContact CZ-OE2 3.63Å; R109-E221 IonicContact NH1-OE1 3.95Å; R109-E221 PolarHBondContact NH1-OE1 2.91Å; R109-E221 IonicContact NH1-OE2 2.81Å; R109-E221 IonicContact NH2-OE1 3.65Å; R109-E221 PolarHBondContact NH2-OE1 2.99Å; R109-E221 IonicContact NH2-OE2 2.69Å; R109-E221 PolarHBondContact NH2-OE2 3.1Å; S217-E221 PolarHBondContact O-N 2.92Å; L218-E221 PolarHBondContact O-N 3.38Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.16Å; E221-S224 VanDerWaalsContact O-CB 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.4Å; E221-S224 PolarHBondContact O-N 3.13Å; E221-F225 HydrophobicContact CG-CD2 4.18Å; E221-F225 HydrophobicContact CG-CE2 3.64Å; E221-F225 VanDerWaalsContact O-CD2 3.26Å; E221-F225 WeakPolarHBondContact O-CD2 3.29Å
222Y79.8Confident83.6Confident15 Ų1536.1 Ų36.16%0.05922%0.215CC..Hα-helixtrans-56.8-42.8175.7176.6-107.9000112.6I99 K102 L218 V219 V220 S224 F225 H226 G228 L229I99-Y222 HydrophobicContact CB-CE1 4.36Å; I99-Y222 HydrophobicContact CG1-CE1 3.82Å; I99-Y222 WeakPolarHBondContact CG1-OH 3.32Å; I99-Y222 HydrophobicContact CG2-CE1 4.01Å; K102-Y222 HydrophobicContact CB-CD2 3.92Å; K102-Y222 HydrophobicContact CB-CE2 3.62Å; K102-Y222 HydrophobicContact CG-CD2 3.4Å; K102-Y222 VanDerWaalsContact CG-CD2 3.4Å; K102-Y222 HydrophobicContact CG-CE2 3.44Å; K102-Y222 VanDerWaalsContact CG-CE2 3.44Å; L218-Y222 PolarHBondContact O-N 3.41Å; V219-Y222 PolarHBondContact O-N 2.82Å; V220-Y222 VanDerWaalsContact C-N 3.35Å; Y222-S224 PolarHBondContact O-N 3.11Å; Y222-F225 PolarHBondContact O-N 2.83Å; Y222-F225 VanDerWaalsContact O-N 3.14Å; Y222-H226 AromaticContact CD2-CE1 3.99Å; Y222-H226 AromaticContact CD2-ND1 3.46Å; Y222-H226 WeakPolarHBondContact CD2-ND1 3.18Å; Y222-H226 HydrophobicContact CE1-CB 4.37Å; Y222-H226 HydrophobicContact CE2-CB 3.96Å; Y222-H226 AromaticContact CE2-CE1 3.69Å; Y222-H226 AromaticContact CE2-CG 3.49Å; Y222-H226 VanDerWaalsContact CE2-CG 3.49Å; Y222-H226 AromaticContact CE2-ND1 3.22Å; Y222-H226 WeakPolarHBondContact CE2-ND1 3.35Å; Y222-H226 AromaticContact CZ-CG 3.85Å; Y222-H226 PolarHBondContact O-N 2.99Å; Y222-H226 VanDerWaalsContact O-N 3.14Å; Y222-H226 PolarHBondContact O-ND1 3.24Å; Y222-G228 WeakPolarHBondContact CD1-O 3.31Å; Y222-L229 HydrophobicContact CD1-CB 4.42Å
223L73.7Confident83.7Confident54 Ų5436 Ų3628%0.28321%0.214SC..Hα-helixtrans-57.4-28.9174.4-70.3161.7000113.4N38 V219 V220 E221 F225 H226 G228 L229N38-L223 HydrophobicContact CB-CD1 3.56Å; N38-L223 WeakPolarHBondContact ND2-CD1 3.12Å; V219-L223 PolarHBondContact O-N 3.04Å; V220-L223 WeakPolarHBondContact O-CB 3.33Å; V220-L223 PolarHBondContact O-N 2.73Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.16Å; L223-F225 VanDerWaalsContact C-N 3.28Å; L223-F225 PolarHBondContact O-N 3.23Å; L223-H226 CarbonylContact C-O 3.57Å; L223-G228 WeakPolarHBondContact CD2-O 3.18Å; L223-L229 WeakPolarHBondContact CD2-O 3.43Å
224S59.7Low83.8Confident92 Ų9236 Ų3664%0.64321%0.214SC*.Hα-helixtrans-75.1-22.4-177.5-55.60000112.1V220 E221 Y222V220-S224 PolarHBondContact O-N 3.45Å; V220-S224 PolarHBondContact O-OG 2.66Å; E221-S224 VanDerWaalsContact O-CB 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.4Å; E221-S224 PolarHBondContact O-N 3.13Å; Y222-S224 PolarHBondContact O-N 3.11Å
225F65.3Low84Confident142 Ų14234.8 Ų34.862%0.62321%0.209SC*.Hα-helixtrans-105.5-20.4-177.4-64.2-64.8000114E221 Y222 L223E221-F225 HydrophobicContact CG-CD2 4.18Å; E221-F225 HydrophobicContact CG-CE2 3.64Å; E221-F225 VanDerWaalsContact O-CD2 3.26Å; E221-F225 WeakPolarHBondContact O-CD2 3.29Å; Y222-F225 PolarHBondContact O-N 2.83Å; Y222-F225 VanDerWaalsContact O-N 3.14Å; L223-F225 VanDerWaalsContact C-N 3.28Å; L223-F225 PolarHBondContact O-N 3.23Å
226H63.6Low84.2Confident80 Ų8034.8 Ų34.837%0.3721%0.209SC..SBendtrans-135158.6-174.7-54.679000109.3Y222 L223 G228Y222-H226 AromaticContact CD2-CE1 3.99Å; Y222-H226 AromaticContact CD2-ND1 3.46Å; Y222-H226 WeakPolarHBondContact CD2-ND1 3.18Å; Y222-H226 HydrophobicContact CE1-CB 4.37Å; Y222-H226 HydrophobicContact CE2-CB 3.96Å; Y222-H226 AromaticContact CE2-CE1 3.69Å; Y222-H226 AromaticContact CE2-CG 3.49Å; Y222-H226 VanDerWaalsContact CE2-CG 3.49Å; Y222-H226 AromaticContact CE2-ND1 3.22Å; Y222-H226 WeakPolarHBondContact CE2-ND1 3.35Å; Y222-H226 AromaticContact CZ-CG 3.85Å; Y222-H226 PolarHBondContact O-N 2.99Å; Y222-H226 VanDerWaalsContact O-N 3.14Å; Y222-H226 PolarHBondContact O-ND1 3.24Å; L223-H226 CarbonylContact C-O 3.57Å; H226-G228 PolarHBondContact O-N 2.91Å
227A56.9Low84.4Confident121 Ų12134.9 Ų34.9100%121%0.21SC*.SBendtrans-67.721.5171.300000113.7
228G68Low84.7Confident7 Ų733.5 Ų33.57%0.07220%0.2CC..  trans-117.1146.9-145.300000117.2Y222 L223 H226Y222-G228 WeakPolarHBondContact CD1-O 3.31Å; L223-G228 WeakPolarHBondContact CD2-O 3.18Å; H226-G228 PolarHBondContact O-N 2.91Å
229L88Confident84.9Confident1 Ų133.4 Ų33.41%0.00520%0.2CC..SBendtrans66.987-168.8-156.773.6000116N38 W88 I99 V219 Y222 L223 V233 I234N38-L229 PolarHBondContact ND2-O 2.85Å; W88-L229 HydrophobicContact CE3-CD1 4.36Å; W88-L229 HydrophobicContact CH2-CD1 4.08Å; W88-L229 HydrophobicContact CZ3-CD1 3.74Å; I99-L229 HydrophobicContact CD1-CD1 4.4Å; I99-L229 HydrophobicContact CG2-CD1 4.29Å; V219-L229 HydrophobicContact CG1-CD2 3.51Å; V219-L229 HydrophobicContact CG2-CD2 4.38Å; Y222-L229 HydrophobicContact CD1-CB 4.42Å; L223-L229 WeakPolarHBondContact CD2-O 3.43Å; L229-V233 HydrophobicContact CD1-CB 3.8Å; L229-V233 HydrophobicContact CD1-CG1 3.48Å; L229-V233 VanDerWaalsContact CD1-CG1 3.48Å; L229-V233 HydrophobicContact CD1-CG2 4.36Å; L229-V233 HydrophobicContact CG-CB 4.04Å; L229-V233 HydrophobicContact CG-CG1 4.24Å; L229-I234 HydrophobicContact CD2-CB 4.4Å; L229-I234 HydrophobicContact CD2-CD1 3.61Å; L229-I234 HydrophobicContact CD2-CG1 3.92Å
230P92.8Very high85.2Confident18 Ų1835 Ų3512%0.11721%0.206CC..  trans-52148.8-179.7-28.836.8000114.5P87 W88 M91 G232 V233P87-P230 HydrophobicContact CB-CB 4.44Å; P87-P230 HydrophobicContact CB-CG 3.91Å; W88-P230 HydrophobicContact CB-CB 4.37Å; W88-P230 HydrophobicContact CB-CG 4.04Å; W88-P230 HydrophobicContact CE3-CG 4.49Å; M91-P230 HydrophobicContact CE-CG 4.33Å; P230-G232 PolarHBondContact O-N 3.32Å; P230-V233 HydrophobicContact CB-CG2 4.08Å; P230-V233 HydrophobicContact CG-CG2 4.49Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.47Å; P230-V233 PolarHBondContact O-N 2.91Å
231P94.7Very high85.6Confident80 Ų8034 Ų3452%0.51921%0.206SC..THydrogen-bonded Turntrans-53.8132.2176.6-2634.5000111.9A37 N38 A81A37-P231 HydrophobicContact CB-CB 4.19Å; N38-P231 WeakPolarHBondContact ND2-CA 3.47Å; A81-P231 WeakPolarHBondContact CB-O 3.32Å
232G96.9Very high86.1Confident0 Ų036 Ų360%022%0.223CC..THydrogen-bonded Turntrans93.3-7.6175.100000114.1A78 P230 I234 N235A78-G232 VanDerWaalsContact CA-O 3.25Å; A78-G232 WeakPolarHBondContact CA-O 3.47Å; P230-G232 PolarHBondContact O-N 3.32Å; G232-I234 VanDerWaalsContact C-N 3.32Å; G232-I234 PolarHBondContact O-N 2.94Å; G232-N235 PolarHBondContact O-ND2 3.24Å
233V97.8Very high86.9Confident0 Ų037.4 Ų37.40%023%0.233CC..SBendtrans-66.2-36.1176.9177.30000112A81 W88 L194 T199 M200 L229 P230A81-V233 HydrophobicContact CB-CG2 3.99Å; W88-V233 HydrophobicContact CB-CG2 3.88Å; W88-V233 HydrophobicContact CD2-CB 4.42Å; W88-V233 HydrophobicContact CD2-CG1 3.9Å; W88-V233 HydrophobicContact CD2-CG2 3.55Å; W88-V233 HydrophobicContact CE3-CG1 4.15Å; W88-V233 HydrophobicContact CE3-CG2 3.87Å; W88-V233 HydrophobicContact CG-CG2 3.56Å; W88-V233 HydrophobicContact CH2-CG1 3.89Å; W88-V233 HydrophobicContact CZ2-CG1 3.64Å; W88-V233 HydrophobicContact CZ3-CG1 4.15Å; L194-V233 HydrophobicContact CD2-CG1 3.52Å; T199-V233 CarbonylContact C-O 3.46Å; T199-V233 WeakPolarHBondContact CA-O 3.45Å; T199-V233 HydrophobicContact CG2-CB 4.49Å; T199-V233 HydrophobicContact CG2-CG1 4.46Å; T199-V233 HydrophobicContact CG2-CG2 4.3Å; M200-V233 PolarHBondContact N-O 3.16Å; L229-V233 HydrophobicContact CD1-CB 3.8Å; L229-V233 HydrophobicContact CD1-CG1 3.48Å; L229-V233 VanDerWaalsContact CD1-CG1 3.48Å; L229-V233 HydrophobicContact CD1-CG2 4.36Å; L229-V233 HydrophobicContact CG-CB 4.04Å; L229-V233 HydrophobicContact CG-CG1 4.24Å; P230-V233 HydrophobicContact CB-CG2 4.08Å; P230-V233 HydrophobicContact CG-CG2 4.49Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.47Å; P230-V233 PolarHBondContact O-N 2.91Å
234I98.1Very high88Confident0 Ų034.9 Ų34.90%022%0.22CC..EExtended strand (participates in β ladder)trans-126.3129.6171.4-60.4175000108.2F35 V190 L194 I202 F215 V219 L229 G232 I236F35-I234 WeakPolarHBondContact CE1-O 3.49Å; V190-I234 HydrophobicContact CG1-CD1 4.22Å; L194-I234 HydrophobicContact CD1-CD1 3.79Å; L194-I234 HydrophobicContact CD1-CG1 4.19Å; L194-I234 HydrophobicContact CD2-CG1 4.45Å; I202-I234 HydrophobicContact CD1-CG2 4.08Å; F215-I234 HydrophobicContact CE1-CD1 3.9Å; F215-I234 HydrophobicContact CE1-CG2 4.41Å; F215-I234 HydrophobicContact CZ-CD1 4.4Å; V219-I234 HydrophobicContact CG2-CD1 4.03Å; L229-I234 HydrophobicContact CD2-CB 4.4Å; L229-I234 HydrophobicContact CD2-CD1 3.61Å; L229-I234 HydrophobicContact CD2-CG1 3.92Å; G232-I234 VanDerWaalsContact C-N 3.32Å; G232-I234 PolarHBondContact O-N 2.94Å; I234-I236 HydrophobicContact CG2-CD1 4.5Å; I234-I236 HydrophobicContact CG2-CG1 4.25Å
235N98.7Very high89.9Confident0 Ų030.7 Ų30.70%019%0.191CC..EExtended strand (participates in β ladder)trans-134.1141.9174.1-46.9-90.6000108.8F35 A37 A74 M200 V201 I202 G232F35-N235 CarbonylContact O-C 3.38Å; F35-N235 WeakPolarHBondContact O-CA 3.41Å; A37-N235 PolarHBondContact N-OD1 3.3Å; A74-N235 HydrophobicContact CB-CB 3.93Å; M200-N235 PolarHBondContact O-N 3.16Å; M200-N235 PolarHBondContact O-ND2 3.45Å; V201-N235 HydrophobicContact CG2-CB 4.4Å; I202-N235 PolarHBondContact N-O 3.33Å; G232-N235 PolarHBondContact O-ND2 3.24Å
236I98.6Very high91.4Very high0 Ų025.7 Ų25.70%018%0.176CC..EExtended strand (participates in β ladder)trans-131.5117.1-175.4-49.6177.8000109F35 I202 P204 A212 L213 F215 I234 P238F35-I236 HydrophobicContact CB-CB 4.05Å; F35-I236 HydrophobicContact CB-CG1 4.43Å; F35-I236 HydrophobicContact CD1-CD1 4.36Å; F35-I236 HydrophobicContact CD1-CG1 4.19Å; F35-I236 PolarHBondContact N-O 3.1Å; F35-I236 PolarHBondContact O-N 3.38Å; I202-I236 HydrophobicContact CB-CG1 4.42Å; I202-I236 HydrophobicContact CD1-CG1 4.41Å; I202-I236 CarbonylContact O-C 3.51Å; I202-I236 WeakPolarHBondContact O-CA 3.18Å; P204-I236 HydrophobicContact CG-CG2 4.09Å; A212-I236 HydrophobicContact CB-CG2 4.05Å; A212-I236 WeakPolarHBondContact O-CD1 3.28Å; L213-I236 HydrophobicContact CD2-CG2 4.1Å; F215-I236 HydrophobicContact CD1-CD1 4.28Å; I234-I236 HydrophobicContact CG2-CD1 4.5Å; I234-I236 HydrophobicContact CG2-CG1 4.25Å; I236-P238 WeakPolarHBondContact O-CD 3.42Å
237I98.3Very high93.1Very high2 Ų222.7 Ų22.71%0.0117%0.165CC..  trans-119.787.8-175.4-53.3-59.2000108.6L34 I36 D70 V71 A74 V201 I202 K203 A244L34-I237 HydrophobicContact CB-CD1 4.09Å; L34-I237 HydrophobicContact CD1-CD1 4.28Å; L34-I237 HydrophobicContact CD2-CG2 4.46Å; I36-I237 HydrophobicContact CD1-CD1 3.52Å; I36-I237 HydrophobicContact CG1-CD1 3.55Å; D70-I237 HydrophobicContact CB-CG2 4.43Å; V71-I237 HydrophobicContact CG2-CG2 4.28Å; A74-I237 HydrophobicContact CB-CD1 3.93Å; A74-I237 HydrophobicContact CB-CG1 3.93Å; V201-I237 HydrophobicContact CG1-CG1 4.22Å; I202-I237 PolarHBondContact O-N 3.38Å; K203-I237 WeakPolarHBondContact CA-O 3.36Å; K203-I237 VanDerWaalsContact CG-O 3.31Å; K203-I237 WeakPolarHBondContact CG-O 3.06Å; I237-A244 HydrophobicContact CG2-CB 4.41Å
238P97.1Very high95Very high1 Ų117 Ų171%0.00612%0.118CC..  trans-60.7142.2166.628.9-36.7000109.7L34 F49 I63 G66 P204 P209 L213 I236L34-P238 HydrophobicContact CD2-CG 3.69Å; F49-P238 HydrophobicContact CE1-CB 4.4Å; F49-P238 HydrophobicContact CZ-CB 4.22Å; I63-P238 HydrophobicContact CG2-CB 3.67Å; I63-P238 HydrophobicContact CG2-CG 3.69Å; G66-P238 VanDerWaalsContact CA-O 3.32Å; G66-P238 WeakPolarHBondContact CA-O 2.96Å; G66-P238 PolarHBondContact N-O 3.47Å; P204-P238 HydrophobicContact CG-CB 4.14Å; P209-P238 HydrophobicContact CB-CB 4.16Å; L213-P238 HydrophobicContact CD1-CB 4.5Å; L213-P238 HydrophobicContact CD1-CG 4.11Å; L213-P238 HydrophobicContact CD2-CG 4.07Å; I236-P238 WeakPolarHBondContact O-CD 3.42Å
239G95.8Very high96.5Very high0 Ų016.8 Ų16.80%012%0.115CC..  trans164.6172.2-176.100000109.8K203K203-G239 PolarHBondContact NZ-O 2.89Å
240F95.9Very high97Very high32 Ų3220.4 Ų20.414%0.1413%0.134CC..  trans-79.2158.6-174.5-65.9-82.1000113.3F49 E65 E206 T243 A244 G245 H364F49-F240 HydrophobicContact CB-CE2 3.9Å; F49-F240 HydrophobicContact CB-CZ 3.68Å; F49-F240 HydrophobicContact CD1-CE2 4.16Å; F49-F240 HydrophobicContact CD1-CZ 4.41Å; F49-F240 HydrophobicContact CD2-CZ 4.42Å; F49-F240 HydrophobicContact CG-CE2 4.11Å; F49-F240 AromaticContact CG-CZ 3.94Å; F49-F240 HydrophobicContact CG-CZ 3.94Å; E65-F240 HydrophobicContact CG-CD2 4.01Å; E65-F240 HydrophobicContact CG-CE2 4.09Å; E65-F240 WeakPolarHBondContact OE1-CD2 3.43Å; E206-F240 HydrophobicContact CB-CD1 4.07Å; E206-F240 HydrophobicContact CB-CE1 4.17Å; E206-F240 HydrophobicContact CG-CD1 3.79Å; E206-F240 HydrophobicContact CG-CE1 4.02Å; F240-T243 PolarHBondContact N-OG1 2.87Å; F240-T243 PolarHBondContact O-N 3.11Å; F240-T243 PolarHBondContact O-OG1 3.48Å; F240-A244 PolarHBondContact O-N 3.44Å; F240-G245 PolarHBondContact O-N 3.32Å; F240-G245 VanDerWaalsContact O-N 3.13Å; F240-H364 HydrophobicContact CE1-CB 4.23Å
241G94.5Very high97.3Very high28 Ų2820.1 Ų20.129%0.28913%0.132SC..Iπ-helixtrans-52.7-55.5173.300000113.1T243 G245 A246G241-T243 VanDerWaalsContact C-N 3.26Å; G241-T243 PolarHBondContact O-N 3.23Å; G241-G245 CarbonylContact O-C 3.56Å; G241-G245 VanDerWaalsContact O-CA 3.24Å; G241-G245 WeakPolarHBondContact O-CA 3.42Å; G241-G245 PolarHBondContact O-N 3.1Å; G241-A246 PolarHBondContact O-N 3.02Å
242P94.3Very high97.4Very high83 Ų8320 Ų2054%0.53913%0.131SC..Iπ-helixtrans-68-16.1-178.5-26.938.6000115.9A246 Y365P242-A246 WeakPolarHBondContact O-CB 3.38Å; P242-Y365 HydrophobicContact CG-CE2 4.01Å
243T95.9Very high97.5Very high45 Ų4523.3 Ų23.328%0.27615%0.148SC..Iπ-helixtrans-102.3-82.5177.856.30000110.7F240 G241 A247F240-T243 PolarHBondContact N-OG1 2.87Å; F240-T243 PolarHBondContact O-N 3.11Å; F240-T243 PolarHBondContact O-OG1 3.48Å; G241-T243 VanDerWaalsContact C-N 3.26Å; G241-T243 PolarHBondContact O-N 3.23Å; T243-A247 WeakPolarHBondContact O-CB 3.2Å; T243-A247 PolarHBondContact O-N 2.99Å
244A97.9Very high97.6Very high1 Ų123.3 Ų23.31%0.00815%0.148CC..Iπ-helixtrans-62.5-45.1-178.900000112.8G66 V71 K203 I237 F240 A247 L248G66-A244 WeakPolarHBondContact O-CB 3.06Å; V71-A244 HydrophobicContact CG2-CB 4.37Å; K203-A244 HydrophobicContact CD-CB 4.23Å; K203-A244 HydrophobicContact CG-CB 4.02Å; I237-A244 HydrophobicContact CG2-CB 4.41Å; F240-A244 PolarHBondContact O-N 3.44Å; A244-A247 PolarHBondContact O-N 3.43Å; A244-L248 VanDerWaalsContact O-CB 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 3.02Å
245G98.1Very high97.6Very high3 Ų325 Ų253%0.03116%0.158CC..Iπ-helixtrans-63.9-49.2-178.100000112.6I176 F240 G241 L248 A249I176-G245 WeakPolarHBondContact CD1-O 3.47Å; F240-G245 PolarHBondContact O-N 3.32Å; F240-G245 VanDerWaalsContact O-N 3.13Å; G241-G245 CarbonylContact O-C 3.56Å; G241-G245 VanDerWaalsContact O-CA 3.24Å; G241-G245 WeakPolarHBondContact O-CA 3.42Å; G241-G245 PolarHBondContact O-N 3.1Å; G245-L248 PolarHBondContact O-N 3.21Å; G245-A249 PolarHBondContact O-N 3.21Å
246A98Very high97.6Very high37 Ų3725 Ų2531%0.30616%0.158SC..Hα-helixtrans-64.7-40.6177.800000112.1G241 P242 L248 A249 N250G241-A246 PolarHBondContact O-N 3.02Å; P242-A246 WeakPolarHBondContact O-CB 3.38Å; A246-L248 VanDerWaalsContact C-N 3.31Å; A246-L248 PolarHBondContact O-N 3.02Å; A246-A249 PolarHBondContact O-N 3.34Å; A246-N250 WeakPolarHBondContact O-CB 3.3Å; A246-N250 PolarHBondContact O-N 3.13Å; A246-N250 PolarHBondContact O-ND2 3.07Å
247A98.6Very high97.6Very high18 Ų1825 Ų2515%0.14916%0.158CC..Hα-helixtrans-59.4-43.8174.100000111.5K68 V71 T243 A244 N250 H251K68-A247 HydrophobicContact CB-CB 3.93Å; K68-A247 HydrophobicContact CG-CB 3.97Å; V71-A247 HydrophobicContact CB-CB 4.33Å; V71-A247 HydrophobicContact CG1-CB 4.38Å; V71-A247 HydrophobicContact CG2-CB 4.19Å; T243-A247 WeakPolarHBondContact O-CB 3.2Å; T243-A247 PolarHBondContact O-N 2.99Å; A244-A247 PolarHBondContact O-N 3.43Å; A247-N250 PolarHBondContact O-N 3.04Å; A247-H251 WeakPolarHBondContact O-CB 3.26Å; A247-H251 PolarHBondContact O-N 3.49Å
248L98.2Very high97.6Very high2 Ų224.9 Ų24.91%0.0116%0.157CC..Hα-helixtrans-68.9-40.7-179.7-172.163.7000112.4V71 V75 A174 I176 V201 K203 A244 G245 A246 N250 H251 V254V71-L248 HydrophobicContact CG1-CB 4.1Å; V71-L248 HydrophobicContact CG1-CD1 3.85Å; V75-L248 HydrophobicContact CG2-CD1 4.1Å; A174-L248 HydrophobicContact CB-CD1 3.8Å; A174-L248 HydrophobicContact CB-CD2 3.62Å; A174-L248 HydrophobicContact CB-CG 3.46Å; A174-L248 VanDerWaalsContact CB-CG 3.46Å; I176-L248 HydrophobicContact CG1-CD2 4.24Å; V201-L248 HydrophobicContact CB-CD1 3.98Å; V201-L248 HydrophobicContact CG1-CD1 3.77Å; V201-L248 HydrophobicContact CG1-CD2 4.34Å; K203-L248 HydrophobicContact CB-CD2 4.49Å; A244-L248 VanDerWaalsContact O-CB 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 3.02Å; G245-L248 PolarHBondContact O-N 3.21Å; A246-L248 VanDerWaalsContact C-N 3.31Å; A246-L248 PolarHBondContact O-N 3.02Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.39Å; L248-H251 PolarHBondContact O-N 3.31Å; L248-V254 HydrophobicContact CD1-CG2 4.07Å
249A98.5Very high97.7Very high2 Ų225.3 Ų25.32%0.01716%0.159CC..Hα-helixtrans-64.3-38.2176.200000113G245 A246 I257 I269 A272 K279G245-A249 PolarHBondContact O-N 3.21Å; A246-A249 PolarHBondContact O-N 3.34Å; A249-I257 HydrophobicContact CB-CD1 3.72Å; A249-I269 HydrophobicContact CB-CD1 3.56Å; A249-A272 HydrophobicContact CB-CB 3.89Å; A249-K279 PolarHBondContact O-NZ 3.46Å; A249-K279 VanDerWaalsContact O-NZ 3.12Å
250N98.5Very high97.8Very high76 Ų7625.9 Ų25.941%0.40616%0.162SC..THydrogen-bonded Turntrans-88.12.4179.6-70.7-78.6000113.8A246 A247 L248 P252 A272 T276A246-N250 WeakPolarHBondContact O-CB 3.3Å; A246-N250 PolarHBondContact O-N 3.13Å; A246-N250 PolarHBondContact O-ND2 3.07Å; A247-N250 PolarHBondContact O-N 3.04Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.39Å; N250-P252 WeakPolarHBondContact O-CD 3.44Å; N250-A272 WeakPolarHBondContact OD1-CB 3.28Å; N250-T276 HydrophobicContact CB-CG2 4.19Å; N250-T276 WeakPolarHBondContact O-CG2 3.47Å
251H98.7Very high97.8Very high13 Ų1325.4 Ų25.46%0.0617%0.167CC..  trans-72.2126.3-176.9-157.9-69.9000110.6D72 A247 L248 D253 V254 K279D72-H251 IonicContact OD1-CD2 3.62Å; D72-H251 PolarHBondContact OD1-CD2 3.41Å; D72-H251 IonicContact OD1-NE2 2.8Å; D72-H251 PolarHBondContact OD1-NE2 3.4Å; A247-H251 WeakPolarHBondContact O-CB 3.26Å; A247-H251 PolarHBondContact O-N 3.49Å; L248-H251 PolarHBondContact O-N 3.31Å; H251-D253 VanDerWaalsContact C-N 3.32Å; H251-D253 IonicContact CE1-OD2 3.24Å; H251-D253 PolarHBondContact ND1-N 2.78Å; H251-D253 VanDerWaalsContact ND1-N 3.13Å; H251-D253 PolarHBondContact O-N 2.96Å; H251-V254 HydrophobicContact CB-CB 4.43Å; H251-V254 HydrophobicContact CB-CG2 3.86Å; H251-V254 PolarHBondContact O-N 3.42Å; H251-K279 VanDerWaalsContact O-CE 3.32Å; H251-K279 WeakPolarHBondContact O-CE 3.28Å; H251-K279 PolarHBondContact O-NZ 3.5Å
252P98Very high97.8Very high77 Ų7726.4 Ų26.450%0.517%0.169SC..THydrogen-bonded Turntrans-71.9-25.6-177.728-35.3000113N250 V254 N277N250-P252 WeakPolarHBondContact O-CD 3.44Å; P252-V254 VanDerWaalsContact C-N 3.32Å; P252-V254 PolarHBondContact O-N 3.43Å; P252-N277 PolarHBondContact O-ND2 3.48Å
253D98.5Very high97.9Very high69 Ų6923.1 Ų23.137%0.36915%0.148SC..THydrogen-bonded Turntrans-90.115.2177.9-59.2-52.5000114.9V75 R79 H251V75-D253 HydrophobicContact CG1-CB 3.77Å; R79-D253 HydrophobicContact CG-CB 4.3Å; R79-D253 PolarHBondContact NE-O 3.26Å; R79-D253 VanDerWaalsContact NH2-C 3.32Å; R79-D253 PolarHBondContact NH2-O 3.41Å; H251-D253 VanDerWaalsContact C-N 3.32Å; H251-D253 IonicContact CE1-OD2 3.24Å; H251-D253 PolarHBondContact ND1-N 2.78Å; H251-D253 VanDerWaalsContact ND1-N 3.13Å; H251-D253 PolarHBondContact O-N 2.96Å
254V98.8Very high97.9Very high0 Ų028 Ų280%017%0.167CC..  trans-99.2126.1168.9167.40000108.2V75 V172 A174 L248 H251 P252 K256 N277 K279V75-V254 HydrophobicContact CG1-CG2 4.3Å; V75-V254 HydrophobicContact CG2-CG2 3.84Å; V172-V254 HydrophobicContact CG1-CG2 4.37Å; A174-V254 HydrophobicContact CB-CG1 3.63Å; A174-V254 HydrophobicContact CB-CG2 4.43Å; L248-V254 HydrophobicContact CD1-CG2 4.07Å; H251-V254 HydrophobicContact CB-CB 4.43Å; H251-V254 HydrophobicContact CB-CG2 3.86Å; H251-V254 PolarHBondContact O-N 3.42Å; P252-V254 VanDerWaalsContact C-N 3.32Å; P252-V254 PolarHBondContact O-N 3.43Å; V254-K256 WeakPolarHBondContact CG1-O 3.49Å; V254-N277 PolarHBondContact O-ND2 2.93Å; V254-K279 HydrophobicContact CG1-CD 4.13Å; V254-K279 WeakPolarHBondContact O-CE 3.27Å
255D98.7Very high97.8Very high36 Ų3630.6 Ų30.619%0.19318%0.183CC..SBendtrans-89.6-24.9-176-52.4-58.6000113R79 V170 G171 V172 K279 K280R79-D255 IonicContact CZ-OD1 3.35Å; R79-D255 IonicContact CZ-OD2 3.54Å; R79-D255 VanDerWaalsContact NH1-CG 3.27Å; R79-D255 IonicContact NH1-OD1 2.64Å; R79-D255 PolarHBondContact NH1-OD1 3.03Å; R79-D255 VanDerWaalsContact NH1-OD1 3.11Å; R79-D255 IonicContact NH1-OD2 2.71Å; R79-D255 PolarHBondContact NH1-OD2 2.85Å; R79-D255 IonicContact NH2-OD1 3.5Å; R79-D255 PolarHBondContact NH2-OD1 2.92Å; R79-D255 IonicContact NH2-OD2 3.34Å; V170-D255 HydrophobicContact CG2-CB 4.04Å; G171-D255 VanDerWaalsContact CA-OD2 3.3Å; G171-D255 WeakPolarHBondContact CA-OD2 3.41Å; V172-D255 PolarHBondContact N-OD2 2.98Å; V172-D255 PolarHBondContact O-N 3.46Å; D255-K279 WeakPolarHBondContact O-CA 3.33Å; D255-K279 VanDerWaalsContact O-CB 3.24Å; D255-K279 WeakPolarHBondContact O-CB 3.47Å; D255-K280 PolarHBondContact O-N 3.25Å
256K98.8Very high97.8Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-143141.2177.3176-179178.971.70110.6V170 V172 C173 A174 V254 K280 T282 E511 Y512V170-K256 HydrophobicContact CG1-CB 3.77Å; V170-K256 HydrophobicContact CG1-CD 3.96Å; V170-K256 HydrophobicContact CG1-CG 4.49Å; V170-K256 HydrophobicContact CG2-CB 4.37Å; V172-K256 PolarHBondContact O-N 2.9Å; C173-K256 CarbonylContact C-O 3.4Å; C173-K256 VanDerWaalsContact CA-O 3.3Å; C173-K256 WeakPolarHBondContact CA-O 3.38Å; C173-K256 HydrophobicContact CB-CB 4.49Å; A174-K256 PolarHBondContact N-O 3.35Å; V254-K256 WeakPolarHBondContact CG1-O 3.49Å; K256-K280 CarbonylContact C-O 3.57Å; K256-K280 VanDerWaalsContact CA-O 3.25Å; K256-K280 WeakPolarHBondContact CA-O 3.48Å; K256-K280 HydrophobicContact CB-CB 4.15Å; K256-K280 HydrophobicContact CG-CB 4.04Å; K256-T282 PolarHBondContact NZ-OG1 2.96Å; K256-E511 WeakPolarHBondContact CD-O 3.25Å; K256-E511 WeakPolarHBondContact CE-O 3.35Å; K256-E511 PolarHBondContact NZ-O 3.05Å; K256-Y512 HydrophobicContact CD-CD1 3.62Å; K256-Y512 HydrophobicContact CD-CE1 3.88Å; K256-Y512 HydrophobicContact CD-CG 4.2Å
257I98.7Very high97.8Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-119.1133.7165.7-172.2156.7000110.9A174 I176 A249 I269 A273 K279 K280 V281 T282A174-I257 HydrophobicContact CB-CB 4.15Å; A174-I257 HydrophobicContact CB-CD1 4.09Å; A174-I257 HydrophobicContact CB-CG1 3.9Å; A174-I257 WeakPolarHBondContact O-CA 3.48Å; I176-I257 HydrophobicContact CD1-CD1 3.95Å; A249-I257 HydrophobicContact CB-CD1 3.72Å; I257-I269 HydrophobicContact CD1-CD1 4.29Å; I257-I269 HydrophobicContact CD1-CG2 3.87Å; I257-I269 HydrophobicContact CG1-CG2 4.05Å; I257-I269 HydrophobicContact CG2-CG2 3.81Å; I257-A273 HydrophobicContact CG2-CB 4.28Å; I257-K279 HydrophobicContact CB-CD 4.13Å; I257-K279 HydrophobicContact CG2-CD 3.87Å; I257-K279 HydrophobicContact CG2-CG 4.34Å; I257-K280 PolarHBondContact N-O 3.43Å; I257-V281 HydrophobicContact CG2-CG2 3.87Å; I257-V281 WeakPolarHBondContact O-CA 3.23Å; I257-T282 PolarHBondContact O-N 3.47Å
258T98.7Very high97.8Very high0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-117.3134.2168.6170.70000109.6A174 A175 I176 K189 T282 Y512A174-T258 VanDerWaalsContact O-CG2 3.28Å; A174-T258 WeakPolarHBondContact O-CG2 3.26Å; A174-T258 PolarHBondContact O-N 3.17Å; A175-T258 WeakPolarHBondContact CA-O 3.27Å; A175-T258 HydrophobicContact CB-CG2 3.94Å; I176-T258 PolarHBondContact N-O 3.26Å; K189-T258 HydrophobicContact CB-CG2 4.33Å; K189-T258 HydrophobicContact CD-CG2 3.72Å; K189-T258 HydrophobicContact CG-CG2 4.08Å; K189-T258 PolarHBondContact NZ-OG1 3.31Å; T258-T282 VanDerWaalsContact CA-O 3.26Å; T258-T282 WeakPolarHBondContact CA-O 3.19Å; T258-Y512 HydrophobicContact CG2-CE1 4.39Å; T258-Y512 WeakPolarHBondContact CG2-OH 3.32Å
259F98.7Very high97.8Very high10 Ų1037.8 Ų37.84%0.04421%0.207CC..EExtended strand (participates in β ladder)trans-135.2134.7-177.3168.7-109.9000109.7I176 G261 V265 I269 T282 L283 E284 L285I176-F259 HydrophobicContact CB-CD2 3.79Å; I176-F259 HydrophobicContact CG2-CD2 3.65Å; I176-F259 HydrophobicContact CG2-CE2 3.91Å; F259-G261 VanDerWaalsContact CZ-CA 3.43Å; F259-V265 HydrophobicContact CE1-CB 4.07Å; F259-V265 HydrophobicContact CE1-CG1 4Å; F259-V265 HydrophobicContact CE2-CG1 3.86Å; F259-V265 HydrophobicContact CZ-CB 3.68Å; F259-V265 HydrophobicContact CZ-CG1 3.41Å; F259-V265 VanDerWaalsContact CZ-CG1 3.41Å; F259-I269 HydrophobicContact CB-CG1 4.35Å; F259-I269 HydrophobicContact CB-CG2 4.36Å; F259-I269 HydrophobicContact CD1-CG1 4.32Å; F259-I269 HydrophobicContact CD2-CG1 4.49Å; F259-I269 HydrophobicContact CG-CG1 4.13Å; F259-T282 PolarHBondContact N-O 2.95Å; F259-L283 HydrophobicContact CB-CD2 3.97Å; F259-L283 HydrophobicContact CD1-CD2 4.2Å; F259-L283 WeakPolarHBondContact O-CA 3.44Å; F259-E284 PolarHBondContact O-N 2.99Å; F259-L285 HydrophobicContact CD1-CD2 3.65Å; F259-L285 HydrophobicContact CE1-CD2 3.64Å
260T98.5Very high97.7Very high11 Ų1142.4 Ų42.47%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-119126.8165.1-50.80000108.9I176 P178 L185 K189 E284I176-T260 PolarHBondContact O-N 3.47Å; P178-T260 WeakPolarHBondContact CB-O 3.29Å; P178-T260 VanDerWaalsContact CD-O 3.31Å; P178-T260 WeakPolarHBondContact CD-O 3.41Å; P178-T260 HydrophobicContact CG-CG2 3.81Å; L185-T260 HydrophobicContact CD1-CG2 4.08Å; K189-T260 WeakPolarHBondContact CE-OG1 3.45Å; K189-T260 PolarHBondContact NZ-OG1 2.85Å; T260-E284 WeakPolarHBondContact CA-O 3.03Å; T260-E284 HydrophobicContact CG2-CB 3.82Å; T260-E284 WeakPolarHBondContact CG2-O 3.44Å
261G95.9Very high97.7Very high23 Ų2343.4 Ų43.424%0.23723%0.232CC..SBendtrans164.5-152.2-177.400000113.6F259 E284 L285 G286F259-G261 VanDerWaalsContact CZ-CA 3.43Å; G261-E284 PolarHBondContact N-O 3.4Å; G261-E284 VanDerWaalsContact N-O 3.12Å; G261-L285 CarbonylContact O-C 3.5Å; G261-L285 VanDerWaalsContact O-CA 3.24Å; G261-L285 WeakPolarHBondContact O-CA 3.11Å; G261-G286 PolarHBondContact O-N 3.36Å
262S94.6Very high97.7Very high49 Ų4943 Ų4334%0.34323%0.231SC..  trans-73.2149.6-17571.20000112.8E264 V265 G266S262-E264 PolarHBondContact O-N 3.37Å; S262-V265 PolarHBondContact O-N 2.81Å; S262-V265 WeakPolarHBondContact OG-CG2 3.37Å; S262-V265 PolarHBondContact OG-N 3.48Å; S262-G266 PolarHBondContact O-N 3.22Å
263T96Very high97.7Very high14 Ų1439.5 Ų39.59%0.08621%0.208CC..Hα-helixtrans-57.2-37.4176-610000112.4G266 K267 Q497T263-G266 PolarHBondContact O-N 2.8Å; T263-K267 WeakPolarHBondContact O-CG 3.39Å; T263-K267 PolarHBondContact O-N 2.91Å; T263-K267 VanDerWaalsContact O-N 3.1Å; T263-Q497 HydrophobicContact CG2-CB 3.85Å; T263-Q497 WeakPolarHBondContact CG2-O 3.14Å; T263-Q497 PolarHBondContact OG1-O 3.36Å
264E95.1Very high97.7Very high147 Ų14738.1 Ų38.169%0.68721%0.21SC*.Hα-helixtrans-59.9-51.8177.3-175.8-171.2162.100111.7S262 G266 K267 L268S262-E264 PolarHBondContact O-N 3.37Å; E264-G266 VanDerWaalsContact C-N 3.31Å; E264-G266 PolarHBondContact O-N 3.4Å; E264-K267 WeakPolarHBondContact O-CB 3.36Å; E264-K267 PolarHBondContact O-N 2.81Å; E264-L268 PolarHBondContact O-N 3Å
265V95.8Very high97.6Very high55 Ų5545.6 Ų45.633%0.33324%0.243SC..Hα-helixtrans-67.4-35.9178.5176.90000110.7F259 S262 K267 L268 I269F259-V265 HydrophobicContact CE1-CB 4.07Å; F259-V265 HydrophobicContact CE1-CG1 4Å; F259-V265 HydrophobicContact CE2-CG1 3.86Å; F259-V265 HydrophobicContact CZ-CB 3.68Å; F259-V265 HydrophobicContact CZ-CG1 3.41Å; F259-V265 VanDerWaalsContact CZ-CG1 3.41Å; S262-V265 PolarHBondContact O-N 2.81Å; S262-V265 WeakPolarHBondContact OG-CG2 3.37Å; S262-V265 PolarHBondContact OG-N 3.48Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 2.81Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3Å; V265-I269 HydrophobicContact CG1-CG1 4.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 PolarHBondContact O-N 2.82Å
266G98.1Very high97.5Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-55.7-39174.500000113.3S262 T263 E264 I269 M270S262-G266 PolarHBondContact O-N 3.22Å; T263-G266 PolarHBondContact O-N 2.8Å; E264-G266 VanDerWaalsContact C-N 3.31Å; E264-G266 PolarHBondContact O-N 3.4Å; G266-I269 PolarHBondContact O-N 2.76Å; G266-M270 PolarHBondContact O-N 2.85Å
267K98.2Very high97.4Very high106 Ų10649 Ų4946%0.46126%0.263SS..Hα-helixtrans-63.2-44.4173.9-69.5170.9-178.4174.60111.5T263 E264 V265 I269 M270 E271T263-K267 WeakPolarHBondContact O-CG 3.39Å; T263-K267 PolarHBondContact O-N 2.91Å; T263-K267 VanDerWaalsContact O-N 3.1Å; E264-K267 WeakPolarHBondContact O-CB 3.36Å; E264-K267 PolarHBondContact O-N 2.81Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 2.81Å; K267-I269 VanDerWaalsContact C-N 3.33Å; K267-I269 PolarHBondContact O-N 3.27Å; K267-M270 PolarHBondContact O-N 3.08Å; K267-E271 WeakPolarHBondContact O-CG 3.31Å; K267-E271 PolarHBondContact O-N 3.01Å
268L98.1Very high97.3Very high96 Ų9656 Ų5650%0.50330%0.3SS..Hα-helixtrans-61.9-39.8176.6-59.2176.8000112.2E264 V265 E271 A272E264-L268 PolarHBondContact O-N 3Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3Å; L268-E271 PolarHBondContact O-N 2.98Å; L268-A272 WeakPolarHBondContact O-CB 3.44Å; L268-A272 PolarHBondContact O-N 3.19Å
269I98.4Very high97.3Very high10 Ų1056.5 Ų56.55%0.05130%0.302CS..Hα-helixtrans-63.6-44.3175.6-64.1-60.8000110.9I176 A249 I257 F259 V265 G266 K267 A272 A273 L283I176-I269 HydrophobicContact CD1-CD1 3.71Å; A249-I269 HydrophobicContact CB-CD1 3.56Å; I257-I269 HydrophobicContact CD1-CD1 4.29Å; I257-I269 HydrophobicContact CD1-CG2 3.87Å; I257-I269 HydrophobicContact CG1-CG2 4.05Å; I257-I269 HydrophobicContact CG2-CG2 3.81Å; F259-I269 HydrophobicContact CB-CG1 4.35Å; F259-I269 HydrophobicContact CB-CG2 4.36Å; F259-I269 HydrophobicContact CD1-CG1 4.32Å; F259-I269 HydrophobicContact CD2-CG1 4.49Å; F259-I269 HydrophobicContact CG-CG1 4.13Å; V265-I269 HydrophobicContact CG1-CG1 4.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 PolarHBondContact O-N 2.82Å; G266-I269 PolarHBondContact O-N 2.76Å; K267-I269 VanDerWaalsContact C-N 3.33Å; K267-I269 PolarHBondContact O-N 3.27Å; I269-A272 PolarHBondContact O-N 3.07Å; I269-A273 WeakPolarHBondContact O-CB 3.36Å; I269-A273 PolarHBondContact O-N 3.06Å; I269-L283 HydrophobicContact CB-CD2 4.39Å; I269-L283 HydrophobicContact CG2-CD2 4.08Å
270M97.9Very high97.2Very high98 Ų9859.2 Ų59.248%0.48331%0.314SS..Hα-helixtrans-63.8-42.6177.9-170.1173.4-174.900111.9G266 K267 A273 G274 L283 I500G266-M270 PolarHBondContact O-N 2.85Å; K267-M270 PolarHBondContact O-N 3.08Å; M270-A273 PolarHBondContact O-N 2.71Å; M270-G274 PolarHBondContact O-N 2.93Å; M270-L283 HydrophobicContact CB-CD1 4.32Å; M270-I500 HydrophobicContact CE-CD1 3.97Å; M270-I500 HydrophobicContact SD-CD1 3.99Å
271E98.4Very high97.2Very high97 Ų9760.1 Ų60.145%0.45332%0.319SS..Hα-helixtrans-60.6-46.5173.9-76.1-173.4-151.600112.1K267 L268 A273 G274 K275K267-E271 WeakPolarHBondContact O-CG 3.31Å; K267-E271 PolarHBondContact O-N 3.01Å; L268-E271 PolarHBondContact O-N 2.98Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 2.89Å; E271-G274 PolarHBondContact O-N 3.41Å; E271-K275 VanDerWaalsContact O-CB 3.3Å; E271-K275 WeakPolarHBondContact O-CB 3.2Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.4Å; E271-K275 PolarHBondContact O-N 3.21Å; E271-K275 IonicContact OE2-NZ 3.11Å; E271-K275 PolarHBondContact OE2-NZ 2.74Å
272A98.3Very high97.3Very high6 Ų659.1 Ų59.15%0.0531%0.308CS..Hα-helixtrans-60.5-43.8178.300000111.4A249 N250 L268 I269 K275 T276A249-A272 HydrophobicContact CB-CB 3.89Å; N250-A272 WeakPolarHBondContact OD1-CB 3.28Å; L268-A272 WeakPolarHBondContact O-CB 3.44Å; L268-A272 PolarHBondContact O-N 3.19Å; I269-A272 PolarHBondContact O-N 3.07Å; A272-K275 PolarHBondContact O-N 3.06Å; A272-T276 WeakPolarHBondContact O-CB 3.46Å; A272-T276 VanDerWaalsContact O-CG2 3.29Å; A272-T276 WeakPolarHBondContact O-CG2 3.39Å; A272-T276 PolarHBondContact O-N 3.45Å; A272-T276 PolarHBondContact O-OG1 2.76Å
273A98Very high97.5Very high2 Ų257 Ų572%0.01729%0.293CS..Hα-helixtrans-60.3-46175.600000112.2I257 I269 M270 E271 T276 L278 K279 V281I257-A273 HydrophobicContact CG2-CB 4.28Å; I269-A273 WeakPolarHBondContact O-CB 3.36Å; I269-A273 PolarHBondContact O-N 3.06Å; M270-A273 PolarHBondContact O-N 2.71Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 2.89Å; A273-T276 PolarHBondContact O-OG1 3.07Å; A273-L278 WeakPolarHBondContact O-CA 3.44Å; A273-L278 PolarHBondContact O-N 2.84Å; A273-K279 HydrophobicContact CB-CD 4.07Å; A273-K279 HydrophobicContact CB-CG 3.49Å; A273-K279 VanDerWaalsContact CB-CG 3.49Å; A273-V281 HydrophobicContact CB-CG2 3.29Å
274G97.8Very high97.6Very high40 Ų4056.4 Ų56.441%0.41229%0.29SS..Hα-helixtrans-65.2-44.4178.200000113.4M270 E271 T276 L278M270-G274 PolarHBondContact O-N 2.93Å; E271-G274 PolarHBondContact O-N 3.41Å; G274-T276 VanDerWaalsContact C-N 3.3Å; G274-T276 PolarHBondContact O-N 2.86Å; G274-L278 WeakPolarHBondContact O-CD2 3.45Å
275K96.7Very high97.8Very high157 Ų15750 Ų5068%0.68326%0.26SS*.Hα-helixtrans-68.6-24.1-178-76169.1177.5162.80113.8E271 A272E271-K275 VanDerWaalsContact O-CB 3.3Å; E271-K275 WeakPolarHBondContact O-CB 3.2Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.4Å; E271-K275 PolarHBondContact O-N 3.21Å; E271-K275 IonicContact OE2-NZ 3.11Å; E271-K275 PolarHBondContact OE2-NZ 2.74Å; A272-K275 PolarHBondContact O-N 3.06Å
276T96.5Very high97.6Very high52 Ų5247.5 Ų47.532%0.31925%0.245SC..Hα-helixtrans-97.4-66.8-170.748.60000113.5N250 A272 A273 G274 K279N250-T276 HydrophobicContact CB-CG2 4.19Å; N250-T276 WeakPolarHBondContact O-CG2 3.47Å; A272-T276 WeakPolarHBondContact O-CB 3.46Å; A272-T276 VanDerWaalsContact O-CG2 3.29Å; A272-T276 WeakPolarHBondContact O-CG2 3.39Å; A272-T276 PolarHBondContact O-N 3.45Å; A272-T276 PolarHBondContact O-OG1 2.76Å; A273-T276 PolarHBondContact O-OG1 3.07Å; G274-T276 VanDerWaalsContact C-N 3.3Å; G274-T276 PolarHBondContact O-N 2.86Å; T276-K279 PolarHBondContact OG1-NZ 2.87Å
277N97.1Very high97.5Very high57 Ų5747.6 Ų47.631%0.30525%0.247SC..THydrogen-bonded Turntrans-147.816.8-171.669.9-24.4000113.5P252 V254 K279P252-N277 PolarHBondContact O-ND2 3.48Å; V254-N277 PolarHBondContact O-ND2 2.93Å; N277-K279 PolarHBondContact O-N 3.24Å; N277-K279 VanDerWaalsContact O-N 3.15Å; N277-K279 VanDerWaalsContact OD1-CB 3.28Å; N277-K279 WeakPolarHBondContact OD1-CB 3.39Å; N277-K279 WeakPolarHBondContact OD1-CE 3.43Å; N277-K279 WeakPolarHBondContact OD1-CG 3.21Å; N277-K279 PolarHBondContact OD1-N 3.38Å; N277-K279 PolarHBondContact OD1-NZ 3.49Å
278L97Very high97.5Very high145 Ų14542.7 Ų42.776%0.75923%0.225SC*.  trans53.332.9-176.6-57.4177.1000113.2A273 G274A273-L278 WeakPolarHBondContact O-CA 3.44Å; A273-L278 PolarHBondContact O-N 2.84Å; G274-L278 WeakPolarHBondContact O-CD2 3.45Å
279K97.4Very high97.5Very high11 Ų1138.1 Ų38.15%0.04820%0.202CC..  trans-54.6148176.957.3178.366.2740111.4A249 H251 V254 D255 I257 A273 T276 N277A249-K279 PolarHBondContact O-NZ 3.46Å; A249-K279 VanDerWaalsContact O-NZ 3.12Å; H251-K279 VanDerWaalsContact O-CE 3.32Å; H251-K279 WeakPolarHBondContact O-CE 3.28Å; H251-K279 PolarHBondContact O-NZ 3.5Å; V254-K279 HydrophobicContact CG1-CD 4.13Å; V254-K279 WeakPolarHBondContact O-CE 3.27Å; D255-K279 WeakPolarHBondContact O-CA 3.33Å; D255-K279 VanDerWaalsContact O-CB 3.24Å; D255-K279 WeakPolarHBondContact O-CB 3.47Å; I257-K279 HydrophobicContact CB-CD 4.13Å; I257-K279 HydrophobicContact CG2-CD 3.87Å; I257-K279 HydrophobicContact CG2-CG 4.34Å; A273-K279 HydrophobicContact CB-CD 4.07Å; A273-K279 HydrophobicContact CB-CG 3.49Å; A273-K279 VanDerWaalsContact CB-CG 3.49Å; T276-K279 PolarHBondContact OG1-NZ 2.87Å; N277-K279 PolarHBondContact O-N 3.24Å; N277-K279 VanDerWaalsContact O-N 3.15Å; N277-K279 VanDerWaalsContact OD1-CB 3.28Å; N277-K279 WeakPolarHBondContact OD1-CB 3.39Å; N277-K279 WeakPolarHBondContact OD1-CE 3.43Å; N277-K279 WeakPolarHBondContact OD1-CG 3.21Å; N277-K279 PolarHBondContact OD1-N 3.38Å; N277-K279 PolarHBondContact OD1-NZ 3.49Å
280K97.9Very high97.5Very high67 Ų6738 Ų3829%0.29120%0.202SC..EExtended strand (participates in β ladder)trans-60.9143.1174.4-77.8-171.8174165.40110.7V170 D255 K256 I257 C513 E514V170-K280 HydrophobicContact CG2-CD 4.11Å; D255-K280 PolarHBondContact O-N 3.25Å; K256-K280 CarbonylContact C-O 3.57Å; K256-K280 VanDerWaalsContact CA-O 3.25Å; K256-K280 WeakPolarHBondContact CA-O 3.48Å; K256-K280 HydrophobicContact CB-CB 4.15Å; K256-K280 HydrophobicContact CG-CB 4.04Å; I257-K280 PolarHBondContact N-O 3.43Å; K280-C513 PolarHBondContact NZ-O 2.87Å; K280-E514 WeakPolarHBondContact CE-OE1 3.31Å; K280-E514 IonicContact NZ-OE1 3.74Å; K280-E514 PolarHBondContact NZ-OE1 2.93Å; K280-E514 IonicContact NZ-OE2 3.77Å; K280-E514 PolarHBondContact NZ-OE2 3.48Å
281V98.2Very high97.5Very high31 Ų3133.4 Ų33.419%0.18818%0.179CC..EExtended strand (participates in β ladder)trans-127.2129.7-176.91760000110I257 A273 L283I257-V281 HydrophobicContact CG2-CG2 3.87Å; I257-V281 WeakPolarHBondContact O-CA 3.23Å; A273-V281 HydrophobicContact CB-CG2 3.29Å; V281-L283 HydrophobicContact CG1-CD1 3.98Å; V281-L283 HydrophobicContact CG1-CD2 3.52Å; V281-L283 HydrophobicContact CG1-CG 3.5Å
282T98.6Very high97.5Very high1 Ų128.8 Ų28.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-122.7124.2165.1-57.70000108.7K256 I257 T258 F259 I500 E511K256-T282 PolarHBondContact NZ-OG1 2.96Å; I257-T282 PolarHBondContact O-N 3.47Å; T258-T282 VanDerWaalsContact CA-O 3.26Å; T258-T282 WeakPolarHBondContact CA-O 3.19Å; F259-T282 PolarHBondContact N-O 2.95Å; T282-I500 CarbonylContact C-O 3.5Å; T282-I500 WeakPolarHBondContact CA-O 3.21Å; T282-E511 PolarHBondContact OG1-OE2 2.84Å
283L98.6Very high97.6Very high4 Ų428.5 Ų28.52%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-121.5120.3-176.8-55.6176.7000109.3F259 I269 M270 V281 L285 G499 I500F259-L283 HydrophobicContact CB-CD2 3.97Å; F259-L283 HydrophobicContact CD1-CD2 4.2Å; F259-L283 WeakPolarHBondContact O-CA 3.44Å; I269-L283 HydrophobicContact CB-CD2 4.39Å; I269-L283 HydrophobicContact CG2-CD2 4.08Å; M270-L283 HydrophobicContact CB-CD1 4.32Å; V281-L283 HydrophobicContact CG1-CD1 3.98Å; V281-L283 HydrophobicContact CG1-CD2 3.52Å; V281-L283 HydrophobicContact CG1-CG 3.5Å; L283-L285 HydrophobicContact CB-CD1 3.92Å; L283-L285 HydrophobicContact CB-CD2 3.96Å; L283-L285 HydrophobicContact CB-CG 3.83Å; L283-L285 HydrophobicContact CD1-CD1 4.19Å; L283-G499 CarbonylContact O-C 3.51Å; L283-G499 WeakPolarHBondContact O-CA 3.22Å; L283-I500 PolarHBondContact N-O 3.32Å; L283-I500 PolarHBondContact O-N 3.43Å
284E98.3Very high97.6Very high3 Ų328.4 Ų28.41%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-107.4101.9168.2-80.6-58.1135.400108.7F259 T260 G261 L454 F492 G493 E503F259-E284 PolarHBondContact O-N 2.99Å; T260-E284 WeakPolarHBondContact CA-O 3.03Å; T260-E284 HydrophobicContact CG2-CB 3.82Å; T260-E284 WeakPolarHBondContact CG2-O 3.44Å; G261-E284 PolarHBondContact N-O 3.4Å; G261-E284 VanDerWaalsContact N-O 3.12Å; E284-L454 WeakPolarHBondContact OE2-CD1 3.42Å; E284-F492 VanDerWaalsContact OE2-CE1 3.27Å; E284-F492 WeakPolarHBondContact OE2-CE1 3.17Å; E284-G493 WeakPolarHBondContact OE1-CA 3.08Å; E284-G493 WeakPolarHBondContact OE2-CA 3.16Å; E284-E503 HydrophobicContact CG-CB 4.5Å; E284-E503 VanDerWaalsContact CG-CD 3.46Å; E284-E503 HydrophobicContact CG-CG 3.64Å
285L97.9Very high97.6Very high11 Ų1128 Ų286%0.05815%0.147CC..  trans-109.4-176-165.8-52.1174.7000111.9F259 G261 L283 S498F259-L285 HydrophobicContact CD1-CD2 3.65Å; F259-L285 HydrophobicContact CE1-CD2 3.64Å; G261-L285 CarbonylContact O-C 3.5Å; G261-L285 VanDerWaalsContact O-CA 3.24Å; G261-L285 WeakPolarHBondContact O-CA 3.11Å; L283-L285 HydrophobicContact CB-CD1 3.92Å; L283-L285 HydrophobicContact CB-CD2 3.96Å; L283-L285 HydrophobicContact CB-CG 3.83Å; L283-L285 HydrophobicContact CD1-CD1 4.19Å; L285-S498 WeakPolarHBondContact CA-O 3.46Å; L285-S498 WeakPolarHBondContact CB-O 3.26Å; L285-S498 PolarHBondContact N-O 3.48Å
286G93.1Very high97.7Very high3 Ų322.7 Ų22.73%0.03113%0.126CC..  trans-58.3166.6-179.800000113.8G261 E426 Y452 S498G261-G286 PolarHBondContact O-N 3.36Å; G286-E426 WeakPolarHBondContact CA-OE1 3.03Å; G286-E426 WeakPolarHBondContact CA-OE2 3.41Å; G286-Y452 VanDerWaalsContact O-CD1 3.27Å; G286-Y452 WeakPolarHBondContact O-CD1 3.37Å; G286-S498 WeakPolarHBondContact O-CB 3.31Å; G286-S498 PolarHBondContact O-OG 2.99Å
287G96Very high97.8Very high3 Ų320.8 Ų20.83%0.03112%0.115CC..  trans-143.7170.817900000113.3C318 E426G287-C318 VanDerWaalsContact CA-O 3.23Å; G287-C318 WeakPolarHBondContact CA-O 3.48Å; G287-C318 PolarHBondContact N-O 3.3Å; G287-E426 PolarHBondContact N-OE1 3.49Å; G287-E426 VanDerWaalsContact O-CG 3.27Å; G287-E426 WeakPolarHBondContact O-CG 3.09Å
288K96.5Very high97.9Very high2 Ų221.8 Ų21.81%0.00912%0.12CC..  trans-148.662.3173.7-165.475.4-178.1-171.60108.4R323 I422 S423 E425 Q433 Y452K288-R323 HydrophobicContact CG-CG 3.9Å; K288-R323 PolarHBondContact O-NE 3.11Å; K288-R323 PolarHBondContact O-NH2 3.3Å; K288-I422 WeakPolarHBondContact CE-O 3.4Å; K288-I422 PolarHBondContact NZ-O 3.4Å; K288-S423 WeakPolarHBondContact CE-O 3.39Å; K288-E425 WeakPolarHBondContact CE-O 3.2Å; K288-E425 PolarHBondContact NZ-O 2.77Å; K288-Q433 VanDerWaalsContact CE-OE1 3.24Å; K288-Y452 HydrophobicContact CB-CD2 3.38Å; K288-Y452 HydrophobicContact CB-CE2 3.92Å; K288-Y452 HydrophobicContact CB-CG 4.02Å; K288-Y452 HydrophobicContact CG-CD2 4.46Å
289S98.4Very high98Very high1 Ų116.1 Ų16.11%0.0079%0.091CC..  trans-65.5128.9-161.7-67.80000112.8A320 R323 A455 Y483S289-A320 WeakPolarHBondContact CB-O 3.4Å; S289-A320 PolarHBondContact N-O 2.98Å; S289-R323 PolarHBondContact O-N 3.27Å; S289-A455 VanDerWaalsContact CA-O 3.31Å; S289-A455 WeakPolarHBondContact CA-O 3.15Å; S289-A455 WeakPolarHBondContact CB-O 3.29Å; S289-A455 PolarHBondContact OG-O 3.47Å; S289-Y483 VanDerWaalsContact CB-OH 3.26Å; S289-Y483 WeakPolarHBondContact CB-OH 3.37Å
290P98.5Very high98Very high8 Ų819.8 Ų19.85%0.05211%0.111CC..EExtended strand (participates in β ladder)trans-73.8143.3170.931.4-31000110.2R323 F325 A447 A455 A456 A457 L473P290-R323 CarbonylContact C-O 3.54Å; P290-R323 WeakPolarHBondContact CA-O 3.42Å; P290-F325 HydrophobicContact CB-CD2 4.02Å; P290-F325 HydrophobicContact CB-CE2 3.82Å; P290-A447 HydrophobicContact CB-CB 3.62Å; P290-A447 HydrophobicContact CG-CB 3.81Å; P290-A455 WeakPolarHBondContact CD-O 3.26Å; P290-A456 HydrophobicContact CG-CB 3.7Å; P290-A456 CarbonylContact O-C 3.51Å; P290-A456 VanDerWaalsContact O-CA 3.29Å; P290-A456 WeakPolarHBondContact O-CA 3.29Å; P290-A457 PolarHBondContact O-N 3.34Å; P290-L473 HydrophobicContact CG-CD2 4.39Å
291N98.6Very high98Very high0 Ų020.2 Ų20.20%011%0.114CC..EExtended strand (participates in β ladder)trans-131101.3175.4-17510.6000108.4A306 R323 C324 F325 F459 Y483N291-A306 WeakPolarHBondContact ND2-CB 3.38Å; N291-R323 PolarHBondContact N-O 2.94Å; N291-C324 CarbonylContact O-C 3.56Å; N291-C324 WeakPolarHBondContact O-CA 3.46Å; N291-F325 PolarHBondContact O-N 2.96Å; N291-F459 WeakPolarHBondContact OD1-CD2 3.33Å; N291-F459 WeakPolarHBondContact OD1-CE2 3.47Å; N291-Y483 HydrophobicContact CB-CE2 3.86Å
292I98.9Very high98.1Very high0 Ų018.8 Ų18.80%011%0.105CC..EExtended strand (participates in β ladder)trans-92.9121.8-171.9-59.9174.5000109.6F325 F437 A443 A447 A457 I458 F459 V469 L473I292-F325 CarbonylContact C-O 3.55Å; I292-F325 WeakPolarHBondContact CA-O 3.46Å; I292-F325 HydrophobicContact CG1-CB 4.29Å; I292-F437 HydrophobicContact CG2-CE1 4Å; I292-F437 HydrophobicContact CG2-CZ 3.89Å; I292-A443 HydrophobicContact CD1-CB 4.24Å; I292-A443 HydrophobicContact CG2-CB 4.34Å; I292-A447 HydrophobicContact CD1-CB 4.23Å; I292-A457 PolarHBondContact N-O 3.31Å; I292-I458 CarbonylContact O-C 3.45Å; I292-I458 VanDerWaalsContact O-CA 3.3Å; I292-I458 WeakPolarHBondContact O-CA 3.29Å; I292-F459 PolarHBondContact O-N 3.4Å; I292-V469 HydrophobicContact CD1-CG1 3.93Å; I292-L473 HydrophobicContact CD1-CD1 4.41Å; I292-L473 HydrophobicContact CD1-CD2 4.09Å
293I98.9Very high98.1Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-112.6104.2-178.8-45.2-57.8000108.6A302 F325 V326 Q327 I330 F334 F459I293-A302 HydrophobicContact CD1-CB 4.41Å; I293-A302 HydrophobicContact CG2-CB 3.95Å; I293-F325 PolarHBondContact N-O 3.26Å; I293-V326 HydrophobicContact CB-CB 4.49Å; I293-V326 HydrophobicContact CB-CG1 4.36Å; I293-V326 HydrophobicContact CB-CG2 4.15Å; I293-V326 HydrophobicContact CG1-CG2 4.03Å; I293-Q327 PolarHBondContact O-N 2.84Å; I293-I330 HydrophobicContact CG2-CD1 3.85Å; I293-F334 HydrophobicContact CB-CE2 4.42Å; I293-F334 HydrophobicContact CD1-CE2 4.38Å; I293-F334 HydrophobicContact CG1-CE2 3.85Å; I293-F334 HydrophobicContact CG1-CZ 4.1Å; I293-F334 HydrophobicContact CG2-CD2 4.09Å; I293-F334 HydrophobicContact CG2-CE2 4.01Å; I293-F459 HydrophobicContact CD1-CB 4.11Å; I293-F459 HydrophobicContact CD1-CD2 3.45Å; I293-F459 VanDerWaalsContact CD1-CD2 3.45Å; I293-F459 HydrophobicContact CD1-CE2 4.16Å; I293-F459 HydrophobicContact CD1-CG 3.94Å
294C98.8Very high98.1Very high0 Ų024.9 Ų24.90%013%0.131CC..  trans-78.3151.6178.1-56.60000111.3D296 C297 I330 F459C294-D296 VanDerWaalsContact CB-OD1 3.29Å; C294-D296 WeakPolarHBondContact CB-OD1 3.44Å; C294-D296 PolarHBondContact O-N 2.94Å; C294-C297 VanDerWaalsContact O-CB 3.29Å; C294-C297 WeakPolarHBondContact O-CB 3.05Å; C294-C297 PolarHBondContact O-N 2.9Å; C294-C297 VanDerWaalsContact O-N 3.09Å; C294-C297 PolarHBondContact O-SG 2.93Å; C294-I330 WeakPolarHBondContact O-CD1 3.16Å; C294-F459 VanDerWaalsContact CB-O 3.26Å; C294-F459 WeakPolarHBondContact CB-O 3.18Å; C294-F459 PolarHBondContact N-O 2.86Å; C294-F459 PolarHBondContact SG-O 2.95Å
295A98.6Very high98.1Very high33 Ų3325.6 Ų25.627%0.27314%0.136SC..THydrogen-bonded Turntrans-60.8-28-179.800000113.7C297 Q327 E329 I330A295-C297 VanDerWaalsContact C-N 3.31Å; A295-C297 PolarHBondContact O-N 3.32Å; A295-Q327 HydrophobicContact CB-CB 4.22Å; A295-Q327 HydrophobicContact CB-CG 4.44Å; A295-E329 HydrophobicContact CB-CB 4.2Å; A295-I330 HydrophobicContact CB-CG1 4.49Å; A295-I330 HydrophobicContact CB-CG2 4.31Å
296D98.4Very high98.1Very high45 Ų4525 Ų2524%0.24113%0.133CC..THydrogen-bonded Turntrans-83.7-0.4179.266.1-75.4000114.3C294 T460 K461 D462 K465C294-D296 VanDerWaalsContact CB-OD1 3.29Å; C294-D296 WeakPolarHBondContact CB-OD1 3.44Å; C294-D296 PolarHBondContact O-N 2.94Å; D296-T460 PolarHBondContact OD1-OG1 2.83Å; D296-T460 PolarHBondContact OD2-OG1 2.79Å; D296-K461 VanDerWaalsContact O-CD 3.23Å; D296-K461 WeakPolarHBondContact O-CD 3.38Å; D296-K461 VanDerWaalsContact O-CG 3.25Å; D296-K461 WeakPolarHBondContact O-CG 3.21Å; D296-K461 PolarHBondContact OD2-N 2.97Å; D296-D462 PolarHBondContact OD2-N 3.36Å; D296-K465 IonicContact OD1-NZ 2.95Å; D296-K465 PolarHBondContact OD1-NZ 2.7Å
297C98.5Very high98.3Very high11 Ų1125.4 Ų25.47%0.07413%0.134CC..SBendtrans-64.1168-178.775.20000112.9C294 A295 L299 F459C294-C297 VanDerWaalsContact O-CB 3.29Å; C294-C297 WeakPolarHBondContact O-CB 3.05Å; C294-C297 PolarHBondContact O-N 2.9Å; C294-C297 VanDerWaalsContact O-N 3.09Å; C294-C297 PolarHBondContact O-SG 2.93Å; A295-C297 VanDerWaalsContact C-N 3.31Å; A295-C297 PolarHBondContact O-N 3.32Å; C297-L299 PolarHBondContact O-N 3.46Å; C297-F459 HydrophobicContact CB-CB 3.99Å; C297-F459 WeakPolarHBondContact CB-O 3.39Å
298D98.5Very high98.4Very high79 Ų7928.1 Ų28.142%0.42215%0.145SC..  trans-74.4101.8158.2-179.9-23.8000108.1D300 H301 A302D298-D300 VanDerWaalsContact C-N 3.33Å; D298-D300 PolarHBondContact O-N 2.8Å; D298-D300 PolarHBondContact OD1-N 3.46Å; D298-D300 VanDerWaalsContact OD1-N 3.15Å; D298-H301 HydrophobicContact CB-CB 3.94Å; D298-H301 PolarHBondContact O-N 2.72Å; D298-H301 PolarHBondContact OD1-N 3.38Å; D298-A302 VanDerWaalsContact O-CB 3.22Å; D298-A302 WeakPolarHBondContact O-CB 3.26Å; D298-A302 PolarHBondContact O-N 2.8Å
299L98.5Very high98.5Very high26 Ų2628 Ų2814%0.13615%0.145CC..Hα-helixtrans-63.4-37.1-174.4-175.260.8000112.5C297 A302 V303 I330 E333 F334C297-L299 PolarHBondContact O-N 3.46Å; L299-A302 PolarHBondContact O-N 3.36Å; L299-V303 HydrophobicContact CD1-CG2 3.93Å; L299-V303 HydrophobicContact CG-CG2 4.29Å; L299-V303 WeakPolarHBondContact O-CB 3.08Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.49Å; L299-V303 PolarHBondContact O-N 2.66Å; L299-I330 HydrophobicContact CD1-CD1 4.06Å; L299-E333 HydrophobicContact CD2-CG 3.93Å; L299-F334 HydrophobicContact CD1-CB 4.35Å; L299-F334 HydrophobicContact CD1-CD2 3.83Å
300D98.5Very high98.5Very high88 Ų8828 Ų2847%0.47115%0.145SC..Hα-helixtrans-63.8-46178.3-78.3-12.9000110.8D298 K304 R337D298-D300 VanDerWaalsContact C-N 3.33Å; D298-D300 PolarHBondContact O-N 2.8Å; D298-D300 PolarHBondContact OD1-N 3.46Å; D298-D300 VanDerWaalsContact OD1-N 3.15Å; D300-K304 WeakPolarHBondContact O-CD 3.23Å; D300-K304 VanDerWaalsContact O-CG 3.31Å; D300-K304 WeakPolarHBondContact O-CG 3.45Å; D300-K304 PolarHBondContact O-N 2.68Å; D300-R337 IonicContact OD1-CZ 2.63Å; D300-R337 IonicContact OD1-NH1 3.78Å; D300-R337 PolarHBondContact OD1-NH1 2.66Å
301H98.6Very high98.4Very high76 Ų7627.6 Ų27.635%0.35214%0.142SC..Hα-helixtrans-66.4-44.2176.3179.258.5000112.1D298 K304 T305 N481D298-H301 HydrophobicContact CB-CB 3.94Å; D298-H301 PolarHBondContact O-N 2.72Å; D298-H301 PolarHBondContact OD1-N 3.38Å; H301-K304 PolarHBondContact O-N 3.14Å; H301-T305 PolarHBondContact CE1-OG1 2.93Å; H301-T305 PolarHBondContact ND1-OG1 2.94Å; H301-T305 VanDerWaalsContact O-CB 3.26Å; H301-T305 WeakPolarHBondContact O-CB 3.48Å; H301-T305 PolarHBondContact O-N 2.71Å; H301-T305 PolarHBondContact O-OG1 2.66Å; H301-N481 PolarHBondContact NE2-O 3.05Å
302A98.7Very high98.3Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-62.7-45.4-178.400000111.9I293 D298 L299 T305 A306 F459I293-A302 HydrophobicContact CD1-CB 4.41Å; I293-A302 HydrophobicContact CG2-CB 3.95Å; D298-A302 VanDerWaalsContact O-CB 3.22Å; D298-A302 WeakPolarHBondContact O-CB 3.26Å; D298-A302 PolarHBondContact O-N 2.8Å; L299-A302 PolarHBondContact O-N 3.36Å; A302-T305 PolarHBondContact O-N 2.9Å; A302-A306 WeakPolarHBondContact O-CB 3.13Å; A302-A306 PolarHBondContact O-N 3.07Å; A302-F459 HydrophobicContact CB-CB 4.18Å; A302-F459 HydrophobicContact CB-CD1 3.99Å; A302-F459 HydrophobicContact CB-CG 4.15Å
303V98.6Very high98.1Very high6 Ų628.2 Ų28.24%0.03615%0.146CC..Hα-helixtrans-62.7-47.4177.7175.20000110.8L299 T305 A306 H307 F334 R337 M341L299-V303 HydrophobicContact CD1-CG2 3.93Å; L299-V303 HydrophobicContact CG-CG2 4.29Å; L299-V303 WeakPolarHBondContact O-CB 3.08Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.49Å; L299-V303 PolarHBondContact O-N 2.66Å; V303-T305 VanDerWaalsContact C-N 3.35Å; V303-T305 PolarHBondContact O-N 3.09Å; V303-A306 PolarHBondContact O-N 3.16Å; V303-H307 WeakPolarHBondContact O-CB 3.34Å; V303-H307 PolarHBondContact O-N 3.4Å; V303-F334 HydrophobicContact CB-CE2 4.36Å; V303-F334 HydrophobicContact CG2-CD2 3.5Å; V303-F334 VanDerWaalsContact CG2-CD2 3.5Å; V303-F334 HydrophobicContact CG2-CE2 3.66Å; V303-F334 HydrophobicContact CG2-CG 4.19Å; V303-F334 HydrophobicContact CG2-CZ 4.48Å; V303-R337 HydrophobicContact CG1-CB 3.89Å; V303-R337 HydrophobicContact CG2-CB 4.14Å; V303-M341 HydrophobicContact CG1-CG 4.45Å; V303-M341 HydrophobicContact CG1-SD 3.71Å
304K98.4Very high98Very high127 Ų12728.2 Ų28.255%0.55215%0.146SC*.Hα-helixtrans-61.3-44.6178.9-71.9170.7-174.71680111.9D300 H301 H307 F308 M341D300-K304 WeakPolarHBondContact O-CD 3.23Å; D300-K304 VanDerWaalsContact O-CG 3.31Å; D300-K304 WeakPolarHBondContact O-CG 3.45Å; D300-K304 PolarHBondContact O-N 2.68Å; H301-K304 PolarHBondContact O-N 3.14Å; K304-H307 PolarHBondContact O-N 3.1Å; K304-F308 PolarHBondContact O-N 3.41Å; K304-M341 HydrophobicContact CB-CE 4.35Å; K304-M341 HydrophobicContact CG-CE 3.99Å; K304-M341 HydrophobicContact CG-SD 3.98Å
305T98.6Very high97.9Very high18 Ų1828.2 Ų28.211%0.1115%0.146CC..Hα-helixtrans-73.2-35.9-177.3-53.20000111.6H301 A302 V303 F308 G309 F459H301-T305 PolarHBondContact CE1-OG1 2.93Å; H301-T305 PolarHBondContact ND1-OG1 2.94Å; H301-T305 VanDerWaalsContact O-CB 3.26Å; H301-T305 WeakPolarHBondContact O-CB 3.48Å; H301-T305 PolarHBondContact O-N 2.71Å; H301-T305 PolarHBondContact O-OG1 2.66Å; A302-T305 PolarHBondContact O-N 2.9Å; V303-T305 VanDerWaalsContact C-N 3.35Å; V303-T305 PolarHBondContact O-N 3.09Å; T305-F308 PolarHBondContact O-N 2.96Å; T305-G309 PolarHBondContact O-N 2.8Å; T305-F459 HydrophobicContact CG2-CE1 3.78Å; T305-F459 HydrophobicContact CG2-CZ 3.5Å
306A98.5Very high97.7Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-66.6-41.5172.900000112N291 A302 V303 F308 G309 V310 F334N291-A306 WeakPolarHBondContact ND2-CB 3.38Å; A302-A306 WeakPolarHBondContact O-CB 3.13Å; A302-A306 PolarHBondContact O-N 3.07Å; V303-A306 PolarHBondContact O-N 3.16Å; A306-F308 VanDerWaalsContact C-N 3.34Å; A306-F308 PolarHBondContact O-N 3.08Å; A306-G309 PolarHBondContact O-N 3.48Å; A306-G309 VanDerWaalsContact O-N 3.16Å; A306-V310 PolarHBondContact O-N 3.04Å; A306-F334 HydrophobicContact CB-CE2 4.44Å; A306-F334 HydrophobicContact CB-CZ 3.81Å
307H98.5Very high97.6Very high10 Ų1024.7 Ų24.75%0.04612%0.123CC..Hα-helixtrans-57.4-48.5172177.697.2000110.7V303 K304 G309 V310 F311 M341 R345V303-H307 WeakPolarHBondContact O-CB 3.34Å; V303-H307 PolarHBondContact O-N 3.4Å; K304-H307 PolarHBondContact O-N 3.1Å; H307-G309 VanDerWaalsContact C-N 3.33Å; H307-G309 PolarHBondContact O-N 3.25Å; H307-V310 PolarHBondContact O-N 3.47Å; H307-F311 HydrophobicContact CB-CD2 4.42Å; H307-F311 AromaticContact CD2-CD2 3.94Å; H307-F311 AromaticContact CE1-CD2 3.38Å; H307-F311 WeakPolarHBondContact CE1-CD2 3.46Å; H307-F311 AromaticContact CE1-CE2 3.82Å; H307-F311 AromaticContact CG-CD2 3.67Å; H307-F311 AromaticContact ND1-CD2 3.31Å; H307-F311 VanDerWaalsContact ND1-CD2 3.31Å; H307-F311 WeakPolarHBondContact ND1-CD2 3.3Å; H307-F311 AromaticContact ND1-CE2 3.52Å; H307-F311 AromaticContact NE2-CD2 3.77Å; H307-F311 WeakPolarHBondContact O-CB 3.29Å; H307-F311 VanDerWaalsContact O-CD2 3.23Å; H307-F311 WeakPolarHBondContact O-CD2 3.46Å; H307-F311 PolarHBondContact O-N 3.44Å; H307-M341 HydrophobicContact CB-CE 3.94Å; H307-M341 HydrophobicContact CB-SD 4.2Å; H307-M341 PolarHBondContact CE1-O 2.73Å; H307-R345 PolarHBondContact NE2-NH1 2.85Å
308F97.9Very high97.5Very high60 Ų6025.4 Ų25.426%0.26313%0.127SC..Hα-helixtrans-60.5-42.4174.1176.5-108.8000112.4A2 K304 T305 A306 V310 A312 H484A2-F308 HydrophobicContact CB-CE1 4.01Å; A2-F308 HydrophobicContact CB-CZ 3.98Å; A2-F308 VanDerWaalsContact N-CZ 3.26Å; K304-F308 PolarHBondContact O-N 3.41Å; T305-F308 PolarHBondContact O-N 2.96Å; A306-F308 VanDerWaalsContact C-N 3.34Å; A306-F308 PolarHBondContact O-N 3.08Å; F308-V310 PolarHBondContact O-N 2.99Å; F308-V310 VanDerWaalsContact O-N 3.15Å; F308-A312 HydrophobicContact CD2-CB 4Å; F308-A312 HydrophobicContact CE2-CB 3.69Å; F308-A312 HydrophobicContact CZ-CB 4.07Å; F308-A312 WeakPolarHBondContact O-CB 3.46Å; F308-A312 PolarHBondContact O-N 3.4Å; F308-H484 HydrophobicContact CE1-CB 3.9Å; F308-H484 AromaticContact CE1-CD2 3.99Å
309G97.5Very high97.5Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-57.7-27.3-179.100000114.2T305 A306 H307 A320 G321 H484T305-G309 PolarHBondContact O-N 2.8Å; A306-G309 PolarHBondContact O-N 3.48Å; A306-G309 VanDerWaalsContact O-N 3.16Å; H307-G309 VanDerWaalsContact C-N 3.33Å; H307-G309 PolarHBondContact O-N 3.25Å; G309-A320 WeakPolarHBondContact O-CA 3.49Å; G309-G321 PolarHBondContact O-N 3.22Å; G309-H484 PolarHBondContact O-NE2 3.41Å
310V97.9Very high97.4Very high1 Ų121.3 Ų21.31%0.00611%0.108CC..Hα-helixtrans-109-32.9179.969.60000114.3A306 H307 F308 G315 Q432A306-V310 PolarHBondContact O-N 3.04Å; H307-V310 PolarHBondContact O-N 3.47Å; F308-V310 PolarHBondContact O-N 2.99Å; F308-V310 VanDerWaalsContact O-N 3.15Å; V310-G315 WeakPolarHBondContact O-CA 3.33Å; V310-G315 PolarHBondContact O-N 3.45Å; V310-Q432 HydrophobicContact CG1-CB 3.86Å; V310-Q432 HydrophobicContact CG1-CG 3.95Å; V310-Q432 HydrophobicContact CG2-CB 4.24Å
311F97.9Very high97.4Very high0 Ų017.1 Ų17.10%09%0.085CC..Hα-helixtrans-97.2-8.2-175.4-60.9-65.2000114.2H307 N313 M314 A342 R345 P410 V412 P430 Q432H307-F311 HydrophobicContact CB-CD2 4.42Å; H307-F311 AromaticContact CD2-CD2 3.94Å; H307-F311 AromaticContact CE1-CD2 3.38Å; H307-F311 WeakPolarHBondContact CE1-CD2 3.46Å; H307-F311 AromaticContact CE1-CE2 3.82Å; H307-F311 AromaticContact CG-CD2 3.67Å; H307-F311 AromaticContact ND1-CD2 3.31Å; H307-F311 VanDerWaalsContact ND1-CD2 3.31Å; H307-F311 WeakPolarHBondContact ND1-CD2 3.3Å; H307-F311 AromaticContact ND1-CE2 3.52Å; H307-F311 AromaticContact NE2-CD2 3.77Å; H307-F311 WeakPolarHBondContact O-CB 3.29Å; H307-F311 VanDerWaalsContact O-CD2 3.23Å; H307-F311 WeakPolarHBondContact O-CD2 3.46Å; H307-F311 PolarHBondContact O-N 3.44Å; F311-N313 PolarHBondContact O-N 2.86Å; F311-M314 WeakPolarHBondContact O-CA 3.22Å; F311-M314 PolarHBondContact O-N 2.93Å; F311-A342 HydrophobicContact CE2-CB 4.25Å; F311-A342 HydrophobicContact CZ-CB 4.19Å; F311-R345 PolarHBondContact O-NH2 3.12Å; F311-P410 HydrophobicContact CD1-CB 3.9Å; F311-P410 HydrophobicContact CE1-CB 3.58Å; F311-P410 HydrophobicContact CZ-CB 3.99Å; F311-V412 HydrophobicContact CZ-CG2 4.17Å; F311-P430 HydrophobicContact CD1-CB 3.8Å; F311-P430 HydrophobicContact CE1-CB 4.13Å; F311-P430 WeakPolarHBondContact CE1-O 3.14Å; F311-Q432 HydrophobicContact CE2-CB 4.46Å; F311-Q432 HydrophobicContact CZ-CB 4.1Å
312A95.7Very high97.3Very high5 Ų514.1 Ų14.14%0.0417%0.073CC..G310 helixtrans-56.9138.6169.500000110.9F308 M314 G315 C317F308-A312 HydrophobicContact CD2-CB 4Å; F308-A312 HydrophobicContact CE2-CB 3.69Å; F308-A312 HydrophobicContact CZ-CB 4.07Å; F308-A312 WeakPolarHBondContact O-CB 3.46Å; F308-A312 PolarHBondContact O-N 3.4Å; A312-M314 PolarHBondContact O-N 2.67Å; A312-M314 VanDerWaalsContact O-N 3.12Å; A312-G315 PolarHBondContact O-N 3.24Å; A312-C317 PolarHBondContact O-SG 3.43Å; A312-C317 VanDerWaalsContact O-SG 3.33Å
313N95.7Very high97.3Very high7 Ų714.3 Ų14.34%0.0377%0.073CC..G310 helixtrans49.334.4-172.3-159.832.8000112.8K124 N180 F181 F311 G315 Q316K124-N313 WeakPolarHBondContact CB-OD1 3.4Å; K124-N313 WeakPolarHBondContact CE-OD1 3.21Å; N180-N313 PolarHBondContact O-ND2 3.11Å; N180-N313 VanDerWaalsContact O-ND2 3.11Å; F181-N313 HydrophobicContact CE1-CB 4.22Å; F181-N313 HydrophobicContact CZ-CB 3.83Å; F181-N313 WeakPolarHBondContact CZ-ND2 3.37Å; F311-N313 PolarHBondContact O-N 2.86Å; N313-G315 PolarHBondContact O-N 3.09Å; N313-G315 VanDerWaalsContact O-N 3.14Å; N313-Q316 PolarHBondContact ND2-O 3.09Å; N313-Q316 VanDerWaalsContact ND2-O 3.09Å; N313-Q316 VanDerWaalsContact O-CB 3.24Å; N313-Q316 WeakPolarHBondContact O-CB 3.26Å; N313-Q316 WeakPolarHBondContact O-CG 3.44Å; N313-Q316 PolarHBondContact O-N 2.85Å; N313-Q316 PolarHBondContact O-NE2 3.41Å
314M95.7Very high97.3Very high0 Ų014 Ų140%07%0.072CC..G310 helixtrans55.831-178.9-49.175.672.800113.3K124 F311 A312 Q316 N357 G358 P359 Q360 G429 P430K124-M314 HydrophobicContact CB-CE 4.05Å; K124-M314 HydrophobicContact CB-SD 4.34Å; F311-M314 WeakPolarHBondContact O-CA 3.22Å; F311-M314 PolarHBondContact O-N 2.93Å; A312-M314 PolarHBondContact O-N 2.67Å; A312-M314 VanDerWaalsContact O-N 3.12Å; M314-Q316 VanDerWaalsContact C-N 3.29Å; M314-Q316 PolarHBondContact O-N 3.28Å; M314-N357 HydrophobicContact CG-CB 4.38Å; M314-N357 WeakPolarHBondContact CG-ND2 3.37Å; M314-G358 WeakPolarHBondContact CG-O 3.44Å; M314-P359 WeakPolarHBondContact CE-O 3.43Å; M314-Q360 PolarHBondContact O-NE2 2.95Å; M314-Q360 PolarHBondContact O-OE1 2.74Å; M314-G429 CarbonylContact O-C 3.59Å; M314-P430 WeakPolarHBondContact O-CB 3.3Å; M314-P430 VanDerWaalsContact O-CD 3.24Å; M314-P430 WeakPolarHBondContact O-CD 3.46Å; M314-P430 VanDerWaalsContact O-N 3.14Å
315G96Very high97.3Very high0 Ų08 Ų80%05%0.045CC..G310 helixtrans79.14.9-177.400000115.6V310 A312 N313 C317 F428 G429V310-G315 WeakPolarHBondContact O-CA 3.33Å; V310-G315 PolarHBondContact O-N 3.45Å; A312-G315 PolarHBondContact O-N 3.24Å; N313-G315 PolarHBondContact O-N 3.09Å; N313-G315 VanDerWaalsContact O-N 3.14Å; G315-C317 PolarHBondContact O-N 2.99Å; G315-F428 CarbonylContact O-C 3.54Å; G315-G429 PolarHBondContact O-N 2.84Å
316Q95.6Very high97.3Very high0 Ų07.1 Ų7.10%04%0.04CC..  trans-84.252.3177.5-53.4176.6116.300110.6W179 N180 N313 M314 Q360 F428W179-Q316 HydrophobicContact CH2-CB 3.87Å; W179-Q316 HydrophobicContact CH2-CG 3.86Å; W179-Q316 HydrophobicContact CZ3-CB 3.75Å; W179-Q316 HydrophobicContact CZ3-CG 3.96Å; N180-Q316 HydrophobicContact CB-CB 4.37Å; N180-Q316 WeakPolarHBondContact CB-O 3.06Å; N180-Q316 PolarHBondContact ND2-O 3.42Å; N313-Q316 PolarHBondContact ND2-O 3.09Å; N313-Q316 VanDerWaalsContact ND2-O 3.09Å; N313-Q316 VanDerWaalsContact O-CB 3.24Å; N313-Q316 WeakPolarHBondContact O-CB 3.26Å; N313-Q316 WeakPolarHBondContact O-CG 3.44Å; N313-Q316 PolarHBondContact O-N 2.85Å; N313-Q316 PolarHBondContact O-NE2 3.41Å; M314-Q316 VanDerWaalsContact C-N 3.29Å; M314-Q316 PolarHBondContact O-N 3.28Å; Q316-Q360 VanDerWaalsContact CG-OE1 3.25Å; Q316-F428 HydrophobicContact CB-CD1 3.88Å; Q316-F428 HydrophobicContact CB-CE1 3.68Å; Q316-F428 HydrophobicContact CB-CZ 4.45Å; Q316-F428 HydrophobicContact CG-CD1 4.25Å; Q316-F428 HydrophobicContact CG-CE1 4.47Å
317C96.4Very high97.3Very high5 Ų58.2 Ų8.23%0.0345%0.045CC..  trans-123126.6179.3-64.30000108.7A312 G315 T319 A320A312-C317 PolarHBondContact O-SG 3.43Å; A312-C317 VanDerWaalsContact O-SG 3.33Å; G315-C317 PolarHBondContact O-N 2.99Å; C317-T319 PolarHBondContact O-N 3.46Å; C317-A320 HydrophobicContact CB-CB 4.14Å; C317-A320 WeakPolarHBondContact O-CB 3.43Å; C317-A320 PolarHBondContact O-N 2.93Å
318C95.9Very high97.3Very high25 Ų2511.5 Ų11.517%0.1696%0.06CC..THydrogen-bonded Turntrans-59.9-28.7174.850.80000112G287 F428 L454G287-C318 VanDerWaalsContact CA-O 3.23Å; G287-C318 WeakPolarHBondContact CA-O 3.48Å; G287-C318 PolarHBondContact N-O 3.3Å; C318-F428 HydrophobicContact CB-CE2 4.34Å; C318-L454 HydrophobicContact CB-CD2 3.55Å
319T97.8Very high97.4Very high10 Ų1014.2 Ų14.26%0.0617%0.074CC..THydrogen-bonded Turntrans-91.911176.453.70000113.8C317 G321 L454 A455 W479 Y483 H484 F492C317-T319 PolarHBondContact O-N 3.46Å; T319-G321 PolarHBondContact O-N 2.93Å; T319-L454 HydrophobicContact CG2-CD2 3.72Å; T319-L454 HydrophobicContact CG2-CG 3.98Å; T319-A455 HydrophobicContact CG2-CB 3.72Å; T319-W479 HydrophobicContact CG2-CH2 4.08Å; T319-Y483 WeakPolarHBondContact O-CE1 3.26Å; T319-Y483 PolarHBondContact O-OH 3.19Å; T319-H484 PolarHBondContact O-CE1 3.08Å; T319-H484 PolarHBondContact OG1-CE1 2.82Å; T319-H484 PolarHBondContact OG1-ND1 2.71Å; T319-F492 HydrophobicContact CG2-CE2 3.76Å; T319-F492 HydrophobicContact CG2-CZ 3.49Å; T319-F492 VanDerWaalsContact CG2-CZ 3.49Å
320A97.7Very high97.4Very high10 Ų1015.2 Ų15.28%0.0838%0.079CC..  trans-53.1127-175.200000111.3S289 G309 C317 S322S289-A320 WeakPolarHBondContact CB-O 3.4Å; S289-A320 PolarHBondContact N-O 2.98Å; G309-A320 WeakPolarHBondContact O-CA 3.49Å; C317-A320 HydrophobicContact CB-CB 4.14Å; C317-A320 WeakPolarHBondContact O-CB 3.43Å; C317-A320 PolarHBondContact O-N 2.93Å; A320-S322 PolarHBondContact O-N 2.78Å
321G97.6Very high97.5Very high0 Ų015.9 Ų15.90%08%0.082CC..  trans-72.950.3178.100000113G309 T319 Y483G309-G321 PolarHBondContact O-N 3.22Å; T319-G321 PolarHBondContact O-N 2.93Å; G321-Y483 VanDerWaalsContact CA-CZ 3.41Å; G321-Y483 WeakPolarHBondContact CA-OH 3.39Å; G321-Y483 PolarHBondContact N-OH 2.78Å
322S96.6Very high97.5Very high12 Ų1221.4 Ų21.48%0.08411%0.111CC..  trans-76.4-23.4-168.164.80000112.7A320 Q433A320-S322 PolarHBondContact O-N 2.78Å; S322-Q433 VanDerWaalsContact O-CB 3.28Å; S322-Q433 WeakPolarHBondContact O-CB 3.44Å; S322-Q433 PolarHBondContact O-N 2.78Å; S322-Q433 PolarHBondContact O-NE2 2.81Å
323R98.4Very high97.6Very high5 Ų525.5 Ų25.52%0.01913%0.129CC..EExtended strand (participates in β ladder)trans-97.986.6172.1-66.1-172.2-63.11556.8110.7K288 S289 P290 N291 F325 Y435 R446 A447K288-R323 HydrophobicContact CG-CG 3.9Å; K288-R323 PolarHBondContact O-NE 3.11Å; K288-R323 PolarHBondContact O-NH2 3.3Å; S289-R323 PolarHBondContact O-N 3.27Å; P290-R323 CarbonylContact C-O 3.54Å; P290-R323 WeakPolarHBondContact CA-O 3.42Å; N291-R323 PolarHBondContact N-O 2.94Å; R323-F325 HydrophobicContact CB-CD2 4.44Å; R323-F325 HydrophobicContact CB-CE2 3.79Å; R323-F325 HydrophobicContact CB-CZ 4.45Å; R323-F325 WeakPolarHBondContact O-CD2 3.24Å; R323-F325 PolarHBondContact O-N 3.47Å; R323-Y435 HydrophobicContact CB-CD2 4.43Å; R323-Y435 HydrophobicContact CB-CE2 3.83Å; R323-Y435 HydrophobicContact CG-CE2 3.94Å; R323-R446 PolarHBondContact NH1-O 3.37Å; R323-A447 PolarHBondContact NH1-O 2.95Å; R323-A447 PolarHBondContact NH2-O 3.23Å
324C98.7Very high97.8Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-88.8104-178.2-159.20000110.2N291 F334 Q433 I434 Y435N291-C324 CarbonylContact O-C 3.56Å; N291-C324 WeakPolarHBondContact O-CA 3.46Å; C324-F334 VanDerWaalsContact SG-CZ 3.57Å; C324-Q433 PolarHBondContact N-O 3.13Å; C324-I434 HydrophobicContact CB-CG1 4.37Å; C324-I434 CarbonylContact O-C 3.58Å; C324-I434 WeakPolarHBondContact O-CA 3.49Å; C324-Y435 PolarHBondContact O-N 3.31Å
325F98.9Very high97.9Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-89.1122175.5-66.4-89.1000108.5P290 N291 I292 I293 R323 Y435 F437 R446 A447P290-F325 HydrophobicContact CB-CD2 4.02Å; P290-F325 HydrophobicContact CB-CE2 3.82Å; N291-F325 PolarHBondContact O-N 2.96Å; I292-F325 CarbonylContact C-O 3.55Å; I292-F325 WeakPolarHBondContact CA-O 3.46Å; I292-F325 HydrophobicContact CG1-CB 4.29Å; I293-F325 PolarHBondContact N-O 3.26Å; R323-F325 HydrophobicContact CB-CD2 4.44Å; R323-F325 HydrophobicContact CB-CE2 3.79Å; R323-F325 HydrophobicContact CB-CZ 4.45Å; R323-F325 WeakPolarHBondContact O-CD2 3.24Å; R323-F325 PolarHBondContact O-N 3.47Å; F325-Y435 HydrophobicContact CD1-CD2 4.49Å; F325-Y435 AromaticContact CD1-CG 3.98Å; F325-Y435 HydrophobicContact CD1-CG 3.98Å; F325-Y435 AromaticContact CE1-CD1 3.97Å; F325-Y435 HydrophobicContact CE1-CD1 3.97Å; F325-Y435 HydrophobicContact CE1-CD2 4.34Å; F325-Y435 AromaticContact CE1-CG 3.78Å; F325-Y435 HydrophobicContact CE1-CG 3.78Å; F325-Y435 HydrophobicContact CZ-CD1 4.4Å; F325-Y435 HydrophobicContact CZ-CD2 4.44Å; F325-Y435 HydrophobicContact CZ-CG 4.26Å; F325-F437 HydrophobicContact CB-CD1 3.79Å; F325-F437 HydrophobicContact CB-CE1 4.12Å; F325-F437 WeakPolarHBondContact O-CE1 3.24Å; F325-R446 HydrophobicContact CE1-CB 3.81Å; F325-R446 HydrophobicContact CZ-CB 4.19Å; F325-A447 HydrophobicContact CE2-CB 4.44Å
326V98.9Very high98.1Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-123.3132.3-176.3-175.30000109.6I293 I330 Y331 F334 I434 Y435 K436 F437I293-V326 HydrophobicContact CB-CB 4.49Å; I293-V326 HydrophobicContact CB-CG1 4.36Å; I293-V326 HydrophobicContact CB-CG2 4.15Å; I293-V326 HydrophobicContact CG1-CG2 4.03Å; V326-I330 HydrophobicContact CG1-CD1 4.04Å; V326-I330 HydrophobicContact CG1-CG1 3.84Å; V326-Y331 HydrophobicContact CB-CD2 4.1Å; V326-F334 HydrophobicContact CG1-CB 3.8Å; V326-F334 HydrophobicContact CG1-CD1 4.44Å; V326-F334 HydrophobicContact CG1-CD2 4.33Å; V326-F334 HydrophobicContact CG1-CG 3.95Å; V326-F334 HydrophobicContact CG2-CB 4.49Å; V326-F334 HydrophobicContact CG2-CD1 3.59Å; V326-F334 HydrophobicContact CG2-CD2 4.26Å; V326-F334 HydrophobicContact CG2-CE1 3.78Å; V326-F334 HydrophobicContact CG2-CE2 4.43Å; V326-F334 HydrophobicContact CG2-CG 3.86Å; V326-F334 HydrophobicContact CG2-CZ 4.2Å; V326-I434 HydrophobicContact CB-CG2 4.43Å; V326-I434 HydrophobicContact CG2-CG2 3.77Å; V326-Y435 PolarHBondContact N-O 3.26Å; V326-K436 WeakPolarHBondContact O-CA 3.46Å; V326-F437 WeakPolarHBondContact O-CD1 3.27Å; V326-F437 PolarHBondContact O-N 3.38Å; V326-F437 VanDerWaalsContact O-N 3.1Å
327Q98.7Very high98.2Very high22 Ų2232.7 Ų32.710%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-66.8143.1-177.9-150.4-177.8-34.700111I293 A295 E329 I330 Y331 F437I293-Q327 PolarHBondContact O-N 2.84Å; A295-Q327 HydrophobicContact CB-CB 4.22Å; A295-Q327 HydrophobicContact CB-CG 4.44Å; Q327-E329 VanDerWaalsContact CD-OE2 3.28Å; Q327-E329 WeakPolarHBondContact CG-OE2 3.45Å; Q327-E329 PolarHBondContact NE2-OE1 3.49Å; Q327-E329 PolarHBondContact NE2-OE2 3.42Å; Q327-E329 VanDerWaalsContact NE2-OE2 3.1Å; Q327-E329 PolarHBondContact O-N 2.97Å; Q327-E329 VanDerWaalsContact O-N 3.11Å; Q327-I330 WeakPolarHBondContact O-CG1 3.12Å; Q327-I330 PolarHBondContact O-N 3.33Å; Q327-I330 VanDerWaalsContact O-N 3.17Å; Q327-Y331 PolarHBondContact O-N 2.96Å; Q327-Y331 VanDerWaalsContact O-N 3.16Å; Q327-F437 WeakPolarHBondContact CA-O 3.43Å; Q327-F437 HydrophobicContact CB-CE1 3.98Å; Q327-F437 HydrophobicContact CB-CE2 3.89Å; Q327-F437 HydrophobicContact CB-CZ 3.57Å; Q327-F437 HydrophobicContact CG-CD2 4.1Å; Q327-F437 HydrophobicContact CG-CE2 3.53Å; Q327-F437 HydrophobicContact CG-CZ 3.78Å
328E98.5Very high98.3Very high79 Ų7932.5 Ų32.537%0.36917%0.17SC..G310 helixtrans-55.3-33.8-167.566.2176.7-178.400114.9I330 Y331 K436 F437 K438E328-I330 VanDerWaalsContact C-N 3.3Å; E328-I330 PolarHBondContact O-N 3.34Å; E328-Y331 PolarHBondContact O-N 3.48Å; E328-K436 HydrophobicContact CB-CD 4.12Å; E328-K436 HydrophobicContact CB-CG 4.06Å; E328-F437 PolarHBondContact N-O 3.45Å; E328-K438 WeakPolarHBondContact OE2-CD 3.48Å; E328-K438 WeakPolarHBondContact OE2-CE 3.49Å; E328-K438 WeakPolarHBondContact OE2-CG 3.4Å; E328-K438 IonicContact OE2-NZ 2.81Å
329E98.6Very high98.5Very high118 Ų11832 Ų3255%0.55117%0.166SC*.G310 helixtrans-67.3-28.8-176.1-55.789.9154.300113.1A295 Q327A295-E329 HydrophobicContact CB-CB 4.2Å; Q327-E329 VanDerWaalsContact CD-OE2 3.28Å; Q327-E329 WeakPolarHBondContact CG-OE2 3.45Å; Q327-E329 PolarHBondContact NE2-OE1 3.49Å; Q327-E329 PolarHBondContact NE2-OE2 3.42Å; Q327-E329 VanDerWaalsContact NE2-OE2 3.1Å; Q327-E329 PolarHBondContact O-N 2.97Å; Q327-E329 VanDerWaalsContact O-N 3.11Å
330I98.7Very high98.5Very high20 Ų2035 Ų3510%0.10318%0.181CC..G310 helixtrans-113.82.6-178.458.5161.5000112.7I293 C294 A295 L299 V326 Q327 E328 E333 F334I293-I330 HydrophobicContact CG2-CD1 3.85Å; C294-I330 WeakPolarHBondContact O-CD1 3.16Å; A295-I330 HydrophobicContact CB-CG1 4.49Å; A295-I330 HydrophobicContact CB-CG2 4.31Å; L299-I330 HydrophobicContact CD1-CD1 4.06Å; V326-I330 HydrophobicContact CG1-CD1 4.04Å; V326-I330 HydrophobicContact CG1-CG1 3.84Å; Q327-I330 WeakPolarHBondContact O-CG1 3.12Å; Q327-I330 PolarHBondContact O-N 3.33Å; Q327-I330 VanDerWaalsContact O-N 3.17Å; E328-I330 VanDerWaalsContact C-N 3.3Å; E328-I330 PolarHBondContact O-N 3.34Å; I330-E333 PolarHBondContact O-N 3.16Å; I330-F334 VanDerWaalsContact O-CB 3.31Å; I330-F334 WeakPolarHBondContact O-CB 3.45Å; I330-F334 PolarHBondContact O-N 3.25Å
331Y98.8Very high98.5Very high15 Ų1537 Ų376%0.05919%0.19CC..Hα-helixtrans-60.9-52.1-169.5175-85.3000113.2V326 Q327 E328 E333 F334 V335 G415 I434 K436V326-Y331 HydrophobicContact CB-CD2 4.1Å; Q327-Y331 PolarHBondContact O-N 2.96Å; Q327-Y331 VanDerWaalsContact O-N 3.16Å; E328-Y331 PolarHBondContact O-N 3.48Å; Y331-E333 VanDerWaalsContact C-N 3.3Å; Y331-E333 PolarHBondContact O-N 2.95Å; Y331-F334 PolarHBondContact O-N 3.33Å; Y331-V335 HydrophobicContact CD1-CG2 4.17Å; Y331-V335 HydrophobicContact CE1-CG2 3.78Å; Y331-V335 HydrophobicContact CE2-CG2 4.17Å; Y331-V335 WeakPolarHBondContact O-CG2 3.4Å; Y331-V335 PolarHBondContact O-N 3.43Å; Y331-G415 PolarHBondContact OH-N 2.96Å; Y331-I434 HydrophobicContact CD2-CG2 4.32Å; Y331-I434 HydrophobicContact CE2-CG2 3.78Å; Y331-K436 HydrophobicContact CD1-CD 4.46Å; Y331-K436 HydrophobicContact CD2-CB 3.57Å; Y331-K436 HydrophobicContact CD2-CD 4.45Å; Y331-K436 HydrophobicContact CD2-CG 3.87Å; Y331-K436 HydrophobicContact CE2-CB 3.62Å; Y331-K436 HydrophobicContact CE2-CG 4.38Å; Y331-K436 HydrophobicContact CG-CB 4.21Å; Y331-K436 HydrophobicContact CG-CD 4.24Å; Y331-K436 HydrophobicContact CG-CG 4.07Å
332D98.7Very high98.6Very high116 Ų11637.2 Ų37.262%0.6219%0.191SC*.Hα-helixtrans-65.4-39.2-174.5-67.2-27.4000110.7V335 A336 K436D332-V335 PolarHBondContact O-N 2.89Å; D332-A336 WeakPolarHBondContact O-CB 3.46Å; D332-A336 PolarHBondContact O-N 3.27Å; D332-K436 IonicContact OD1-NZ 3.62Å
333E98.7Very high98.6Very high91 Ų9143.5 Ų43.543%0.42522%0.217SC..Hα-helixtrans-65.7-44.6175.6-175.2174.9179.300112L299 I330 Y331 V335 A336 R337L299-E333 HydrophobicContact CD2-CG 3.93Å; I330-E333 PolarHBondContact O-N 3.16Å; Y331-E333 VanDerWaalsContact C-N 3.3Å; Y331-E333 PolarHBondContact O-N 2.95Å; E333-V335 PolarHBondContact O-N 2.95Å; E333-A336 PolarHBondContact O-N 3.44Å; E333-R337 VanDerWaalsContact O-CG 3.29Å; E333-R337 WeakPolarHBondContact O-CG 3.5Å; E333-R337 PolarHBondContact O-N 2.97Å; E333-R337 IonicContact OE1-CZ 3.51Å; E333-R337 IonicContact OE1-NE 3.69Å; E333-R337 PolarHBondContact OE1-NE 3.44Å; E333-R337 IonicContact OE1-NH2 2.87Å; E333-R337 PolarHBondContact OE1-NH2 2.97Å
334F98.8Very high98.6Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-60.2-46.2176.2-175.6-80000111.3I293 L299 V303 A306 C324 V326 I330 Y331 A336 R337 A338 I434I293-F334 HydrophobicContact CB-CE2 4.42Å; I293-F334 HydrophobicContact CD1-CE2 4.38Å; I293-F334 HydrophobicContact CG1-CE2 3.85Å; I293-F334 HydrophobicContact CG1-CZ 4.1Å; I293-F334 HydrophobicContact CG2-CD2 4.09Å; I293-F334 HydrophobicContact CG2-CE2 4.01Å; L299-F334 HydrophobicContact CD1-CB 4.35Å; L299-F334 HydrophobicContact CD1-CD2 3.83Å; V303-F334 HydrophobicContact CB-CE2 4.36Å; V303-F334 HydrophobicContact CG2-CD2 3.5Å; V303-F334 VanDerWaalsContact CG2-CD2 3.5Å; V303-F334 HydrophobicContact CG2-CE2 3.66Å; V303-F334 HydrophobicContact CG2-CG 4.19Å; V303-F334 HydrophobicContact CG2-CZ 4.48Å; A306-F334 HydrophobicContact CB-CE2 4.44Å; A306-F334 HydrophobicContact CB-CZ 3.81Å; C324-F334 VanDerWaalsContact SG-CZ 3.57Å; V326-F334 HydrophobicContact CG1-CB 3.8Å; V326-F334 HydrophobicContact CG1-CD1 4.44Å; V326-F334 HydrophobicContact CG1-CD2 4.33Å; V326-F334 HydrophobicContact CG1-CG 3.95Å; V326-F334 HydrophobicContact CG2-CB 4.49Å; V326-F334 HydrophobicContact CG2-CD1 3.59Å; V326-F334 HydrophobicContact CG2-CD2 4.26Å; V326-F334 HydrophobicContact CG2-CE1 3.78Å; V326-F334 HydrophobicContact CG2-CE2 4.43Å; V326-F334 HydrophobicContact CG2-CG 3.86Å; V326-F334 HydrophobicContact CG2-CZ 4.2Å; I330-F334 VanDerWaalsContact O-CB 3.31Å; I330-F334 WeakPolarHBondContact O-CB 3.45Å; I330-F334 PolarHBondContact O-N 3.25Å; Y331-F334 PolarHBondContact O-N 3.33Å; F334-A336 PolarHBondContact O-N 3.35Å; F334-R337 PolarHBondContact O-N 3.3Å; F334-A338 HydrophobicContact CD1-CB 4.38Å; F334-A338 HydrophobicContact CE1-CB 4.2Å; F334-A338 VanDerWaalsContact O-CB 3.29Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.84Å; F334-I434 HydrophobicContact CD1-CD1 4.16Å; F334-I434 HydrophobicContact CD1-CG2 4.4Å; F334-I434 HydrophobicContact CE1-CD1 4.07Å
335V98.8Very high98.5Very high8 Ų851 Ų515%0.04825%0.249CC..Hα-helixtrans-58.9-48.5178.1170.50000110.4Y331 D332 E333 R337 A338 V339 M395 A414 I434Y331-V335 HydrophobicContact CD1-CG2 4.17Å; Y331-V335 HydrophobicContact CE1-CG2 3.78Å; Y331-V335 HydrophobicContact CE2-CG2 4.17Å; Y331-V335 WeakPolarHBondContact O-CG2 3.4Å; Y331-V335 PolarHBondContact O-N 3.43Å; D332-V335 PolarHBondContact O-N 2.89Å; E333-V335 PolarHBondContact O-N 2.95Å; V335-R337 VanDerWaalsContact C-N 3.33Å; V335-R337 PolarHBondContact O-N 3Å; V335-A338 PolarHBondContact O-N 3.03Å; V335-V339 HydrophobicContact CG1-CG2 4.4Å; V335-V339 WeakPolarHBondContact O-CB 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.41Å; V335-V339 PolarHBondContact O-N 3.45Å; V335-M395 HydrophobicContact CG1-CE 3.99Å; V335-M395 HydrophobicContact CG1-CG 4.19Å; V335-A414 HydrophobicContact CG1-CB 3.93Å; V335-A414 HydrophobicContact CG2-CB 4.22Å; V335-I434 HydrophobicContact CG2-CB 4.38Å; V335-I434 HydrophobicContact CG2-CD1 4Å; V335-I434 HydrophobicContact CG2-CG2 3.9Å
336A98.8Very high98.5Very high63 Ų6354 Ų5452%0.52127%0.267SS..Hα-helixtrans-58.2-44.9179.500000112.1D332 E333 F334 V339 D340D332-A336 WeakPolarHBondContact O-CB 3.46Å; D332-A336 PolarHBondContact O-N 3.27Å; E333-A336 PolarHBondContact O-N 3.44Å; F334-A336 PolarHBondContact O-N 3.35Å; A336-V339 PolarHBondContact O-N 3.03Å; A336-D340 PolarHBondContact O-N 2.73Å; A336-D340 VanDerWaalsContact O-N 3.08Å
337R98.8Very high98.4Very high87 Ų8754.9 Ų54.933%0.32827%0.273SS..Hα-helixtrans-70.8-38.4179.5-65.5167.9172.5-123.17.9112.6D300 V303 E333 F334 V335 V339 D340 M341D300-R337 IonicContact OD1-CZ 2.63Å; D300-R337 IonicContact OD1-NH1 3.78Å; D300-R337 PolarHBondContact OD1-NH1 2.66Å; V303-R337 HydrophobicContact CG1-CB 3.89Å; V303-R337 HydrophobicContact CG2-CB 4.14Å; E333-R337 VanDerWaalsContact O-CG 3.29Å; E333-R337 WeakPolarHBondContact O-CG 3.5Å; E333-R337 PolarHBondContact O-N 2.97Å; E333-R337 IonicContact OE1-CZ 3.51Å; E333-R337 IonicContact OE1-NE 3.69Å; E333-R337 PolarHBondContact OE1-NE 3.44Å; E333-R337 IonicContact OE1-NH2 2.87Å; E333-R337 PolarHBondContact OE1-NH2 2.97Å; F334-R337 PolarHBondContact O-N 3.3Å; V335-R337 VanDerWaalsContact C-N 3.33Å; V335-R337 PolarHBondContact O-N 3Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 3.28Å; R337-D340 PolarHBondContact O-N 3.41Å; R337-M341 PolarHBondContact O-N 3.04Å
338A98.7Very high98.3Very high2 Ų254.3 Ų54.32%0.01727%0.272CS..Hα-helixtrans-62.2-41.6175.400000111.6F334 V335 M341 A342 I434F334-A338 HydrophobicContact CD1-CB 4.38Å; F334-A338 HydrophobicContact CE1-CB 4.2Å; F334-A338 VanDerWaalsContact O-CB 3.29Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.84Å; V335-A338 PolarHBondContact O-N 3.03Å; A338-M341 PolarHBondContact O-N 2.79Å; A338-A342 WeakPolarHBondContact O-CB 3.5Å; A338-A342 PolarHBondContact O-N 3.28Å; A338-I434 HydrophobicContact CB-CD1 3.99Å
339V98.8Very high98.1Very high15 Ų1554.6 Ų54.69%0.09128%0.276CS..Hα-helixtrans-63.4-45.2175.3170.30000111.7V335 A336 R337 A342 K343 M395 C396 V412V335-V339 HydrophobicContact CG1-CG2 4.4Å; V335-V339 WeakPolarHBondContact O-CB 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.41Å; V335-V339 PolarHBondContact O-N 3.45Å; A336-V339 PolarHBondContact O-N 3.03Å; R337-V339 VanDerWaalsContact C-N 3.33Å; R337-V339 PolarHBondContact O-N 3.28Å; V339-A342 PolarHBondContact O-N 2.93Å; V339-K343 HydrophobicContact CG1-CD 4.17Å; V339-K343 WeakPolarHBondContact O-CG 3.49Å; V339-K343 PolarHBondContact O-N 3.45Å; V339-M395 HydrophobicContact CG2-CB 3.38Å; V339-M395 HydrophobicContact CG2-CG 4.16Å; V339-C396 HydrophobicContact CG1-CB 4.05Å; V339-V412 HydrophobicContact CG2-CB 4.25Å; V339-V412 HydrophobicContact CG2-CG1 4.05Å
340D98.6Very high97.9Very high73 Ų7349 Ų4939%0.3925%0.25SS..Hα-helixtrans-59.6-46.3176.8177.663.4000111.6A336 R337 K343 K344A336-D340 PolarHBondContact O-N 2.73Å; A336-D340 VanDerWaalsContact O-N 3.08Å; R337-D340 PolarHBondContact O-N 3.41Å; D340-K343 PolarHBondContact O-N 3.2Å; D340-K344 VanDerWaalsContact CG-NZ 3.26Å; D340-K344 WeakPolarHBondContact O-CG 3.24Å; D340-K344 PolarHBondContact O-N 3.14Å; D340-K344 VanDerWaalsContact O-N 3.12Å; D340-K344 WeakPolarHBondContact OD1-CE 3.39Å; D340-K344 IonicContact OD1-NZ 3.11Å; D340-K344 PolarHBondContact OD1-NZ 3.22Å; D340-K344 VanDerWaalsContact OD1-NZ 3.09Å; D340-K344 WeakPolarHBondContact OD2-CE 3.32Å; D340-K344 IonicContact OD2-NZ 2.82Å; D340-K344 PolarHBondContact OD2-NZ 2.86Å
341M98Very high97.6Very high52 Ų5250.2 Ų50.226%0.25626%0.255SS..Hα-helixtrans-63.7-42.8175.5-72-165.166.800112.8V303 K304 H307 R337 A338 K343 K344 R345V303-M341 HydrophobicContact CG1-CG 4.45Å; V303-M341 HydrophobicContact CG1-SD 3.71Å; K304-M341 HydrophobicContact CB-CE 4.35Å; K304-M341 HydrophobicContact CG-CE 3.99Å; K304-M341 HydrophobicContact CG-SD 3.98Å; H307-M341 HydrophobicContact CB-CE 3.94Å; H307-M341 HydrophobicContact CB-SD 4.2Å; H307-M341 PolarHBondContact CE1-O 2.73Å; R337-M341 PolarHBondContact O-N 3.04Å; A338-M341 PolarHBondContact O-N 2.79Å; M341-K343 VanDerWaalsContact C-N 3.32Å; M341-K343 PolarHBondContact O-N 3.48Å; M341-K344 PolarHBondContact O-N 3.36Å; M341-R345 PolarHBondContact O-N 3.44Å; M341-R345 VanDerWaalsContact O-N 3.15Å
342A98.2Very high97.4Very high3 Ų352.6 Ų52.63%0.02527%0.269CS..Hα-helixtrans-59.8-41.5177.100000112.1F311 A338 V339 K344 R345 P410 V412F311-A342 HydrophobicContact CE2-CB 4.25Å; F311-A342 HydrophobicContact CZ-CB 4.19Å; A338-A342 WeakPolarHBondContact O-CB 3.5Å; A338-A342 PolarHBondContact O-N 3.28Å; V339-A342 PolarHBondContact O-N 2.93Å; A342-K344 VanDerWaalsContact C-N 3.34Å; A342-K344 PolarHBondContact O-N 2.74Å; A342-R345 PolarHBondContact O-N 2.8Å; A342-P410 HydrophobicContact CB-CB 4.08Å; A342-V412 HydrophobicContact CB-CG2 3.61Å
343K98Very high97.1Very high145 Ų14550.8 Ų50.863%0.6326%0.263SS*.Hα-helixtrans-67.3-30.8176.4-73.6177.1178.51780113.5V339 D340 M341 C396V339-K343 HydrophobicContact CG1-CD 4.17Å; V339-K343 WeakPolarHBondContact O-CG 3.49Å; V339-K343 PolarHBondContact O-N 3.45Å; D340-K343 PolarHBondContact O-N 3.2Å; M341-K343 VanDerWaalsContact C-N 3.32Å; M341-K343 PolarHBondContact O-N 3.48Å; K343-C396 HydrophobicContact CD-CB 4.48Å; K343-C396 HydrophobicContact CG-CB 4.05Å
344K97.8Very high96.9Very high137 Ų13754.1 Ų54.160%0.59628%0.276SS*.Hα-helixtrans-80.9-20.9-179.6-74.6171.1178.61680113.8D340 M341 A342 V346D340-K344 VanDerWaalsContact CG-NZ 3.26Å; D340-K344 WeakPolarHBondContact O-CG 3.24Å; D340-K344 PolarHBondContact O-N 3.14Å; D340-K344 VanDerWaalsContact O-N 3.12Å; D340-K344 WeakPolarHBondContact OD1-CE 3.39Å; D340-K344 IonicContact OD1-NZ 3.11Å; D340-K344 PolarHBondContact OD1-NZ 3.22Å; D340-K344 VanDerWaalsContact OD1-NZ 3.09Å; D340-K344 WeakPolarHBondContact OD2-CE 3.32Å; D340-K344 IonicContact OD2-NZ 2.82Å; D340-K344 PolarHBondContact OD2-NZ 2.86Å; M341-K344 PolarHBondContact O-N 3.36Å; A342-K344 VanDerWaalsContact C-N 3.34Å; A342-K344 PolarHBondContact O-N 2.74Å; K344-V346 PolarHBondContact O-N 2.94Å
345R97.6Very high96.8Very high24 Ų2454.3 Ų54.39%0.09128%0.277CS..SBendtrans-63.7122.6-179-175.9177.9-167.473.75.2110.9H307 F311 M341 A342 V347 E356 N357 P410H307-R345 PolarHBondContact NE2-NH1 2.85Å; F311-R345 PolarHBondContact O-NH2 3.12Å; M341-R345 PolarHBondContact O-N 3.44Å; M341-R345 VanDerWaalsContact O-N 3.15Å; A342-R345 PolarHBondContact O-N 2.8Å; R345-V347 PolarHBondContact O-N 2.92Å; R345-E356 HydrophobicContact CG-CB 3.98Å; R345-E356 IonicContact NH1-OE1 3.27Å; R345-E356 PolarHBondContact NH2-O 2.99Å; R345-N357 HydrophobicContact CG-CB 4.24Å; R345-N357 PolarHBondContact NE-OD1 2.94Å; R345-N357 VanDerWaalsContact NE-OD1 3.09Å; R345-P410 HydrophobicContact CB-CG 4.09Å; R345-P410 HydrophobicContact CG-CG 4.22Å
346V97.4Very high96.6Very high63 Ų6357.1 Ų57.138%0.38229%0.29SS..PPolyproline II helixtrans-79.6117.8-175.4-174.80000111.1K344 V355 E356 N357K344-V346 PolarHBondContact O-N 2.94Å; V346-V355 HydrophobicContact CG1-CG2 4.02Å; V346-E356 PolarHBondContact O-N 2.91Å; V346-N357 PolarHBondContact O-N 2.8Å
347V97.3Very high96.4Very high20 Ų2054.1 Ų54.112%0.12127%0.265CS..BIsolated β-bridgetrans-100.4129.5174.6-1730000109.3R345 N357 K401 F402 F407 P410R345-V347 PolarHBondContact O-N 2.92Å; V347-N357 VanDerWaalsContact CA-O 3.3Å; V347-N357 WeakPolarHBondContact CA-O 3.3Å; V347-N357 HydrophobicContact CB-CB 4.43Å; V347-N357 HydrophobicContact CG2-CB 3.99Å; V347-K401 HydrophobicContact CB-CG 4.35Å; V347-K401 HydrophobicContact CG1-CB 4.28Å; V347-K401 HydrophobicContact CG1-CG 4.19Å; V347-F402 HydrophobicContact CG1-CE2 4.29Å; V347-F407 HydrophobicContact CG1-CB 4.17Å; V347-F407 HydrophobicContact CG1-CD1 3.83Å; V347-F407 HydrophobicContact CG1-CG 4.45Å; V347-P410 HydrophobicContact CG2-CG 4.13Å
348G96Very high96.3Very high9 Ų950 Ų509%0.09325%0.25CC..SBendtrans171.8-161.4-177.800000114.5N357 F407G348-N357 PolarHBondContact N-O 2.82Å; G348-N357 VanDerWaalsContact N-O 3.15Å; G348-F407 WeakPolarHBondContact O-CE1 3.21Å
349D94.6Very high96.1Very high85 Ų8549.9 Ų49.946%0.45525%0.249SC..  trans-53.3119.1177.5-177.7-7.9000110.8F351 D352 V355D349-F351 PolarHBondContact O-N 2.86Å; D349-F351 PolarHBondContact OD1-N 2.74Å; D349-D352 WeakPolarHBondContact O-CB 3.47Å; D349-D352 PolarHBondContact O-N 3.05Å; D349-V355 WeakPolarHBondContact O-CB 3.41Å; D349-V355 WeakPolarHBondContact O-CG2 3.49Å
350P94.7Very high95.7Very high0 Ų049.1 Ų49.10%024%0.244CC..THydrogen-bonded Turntrans-64.8-11.5-17828.8-37000113.9V55 G123 K124 P125 F126V55-P350 HydrophobicContact CG2-CG 3.63Å; G123-P350 WeakPolarHBondContact O-CB 3.45Å; K124-P350 WeakPolarHBondContact O-CB 3.16Å; P125-P350 CarbonylContact C-O 3.56Å; P125-P350 WeakPolarHBondContact CA-O 3.42Å; F126-P350 PolarHBondContact N-O 2.75Å
351F92.9Very high95.1Very high46 Ų4645.7 Ų45.720%0.20223%0.226CC..THydrogen-bonded Turntrans-87.4-9.5171.2-70.9-76.9000114.5Y16 V19 T116 C119 K120 F126 D349Y16-F351 VanDerWaalsContact CE1-O 3.25Å; Y16-F351 WeakPolarHBondContact CE1-O 3.16Å; V19-F351 HydrophobicContact CG1-CD1 3.76Å; V19-F351 HydrophobicContact CG1-CE1 3.64Å; V19-F351 HydrophobicContact CG2-CD1 4.45Å; V19-F351 HydrophobicContact CG2-CE1 4.47Å; T116-F351 HydrophobicContact CG2-CE1 4.11Å; T116-F351 HydrophobicContact CG2-CZ 4.06Å; C119-F351 HydrophobicContact CB-CE1 3.96Å; C119-F351 HydrophobicContact CB-CE2 4.27Å; C119-F351 HydrophobicContact CB-CZ 3.67Å; C119-F351 WeakPolarHBondContact SG-CE2 3.42Å; C119-F351 WeakPolarHBondContact SG-CZ 3.47Å; K120-F351 HydrophobicContact CG-CE2 3.96Å; K120-F351 HydrophobicContact CG-CZ 3.87Å; F126-F351 HydrophobicContact CB-CD1 4.17Å; F126-F351 HydrophobicContact CD2-CD1 4.15Å; F126-F351 AromaticContact CD2-CE1 3.83Å; F126-F351 HydrophobicContact CD2-CE1 3.83Å; F126-F351 HydrophobicContact CG-CD1 4.36Å; F126-F351 HydrophobicContact CG-CE1 4.47Å; D349-F351 PolarHBondContact O-N 2.86Å; D349-F351 PolarHBondContact OD1-N 2.74Å
352D94.2Very high94Very high66 Ų6643.6 Ų43.635%0.35322%0.215SC..SBendtrans-75.1121.7170.8-176.1-24.3000109.3D349 K354 V355D349-D352 WeakPolarHBondContact O-CB 3.47Å; D349-D352 PolarHBondContact O-N 3.05Å; D352-K354 PolarHBondContact O-N 3.24Å; D352-K354 WeakPolarHBondContact OD1-CB 3.44Å; D352-K354 PolarHBondContact OD1-N 2.96Å; D352-V355 HydrophobicContact CB-CB 4.35Å; D352-V355 HydrophobicContact CB-CG2 3.81Å; D352-V355 WeakPolarHBondContact O-CB 3.44Å; D352-V355 PolarHBondContact O-N 3.43Å
353P92.6Very high92.1Very high78 Ų7844.5 Ų44.551%0.50622%0.221SC..THydrogen-bonded Turntrans-60.7-18.3-179.425.3-35.7000114.5Y16Y16-P353 HydrophobicContact CD2-CB 4.5Å; Y16-P353 HydrophobicContact CE1-CB 4.27Å; Y16-P353 HydrophobicContact CE2-CB 3.96Å
354K95Very high90Very high160 Ų16039 Ų3970%0.69620%0.198SC*.THydrogen-bonded Turntrans-82.4-19.8176.1-60.9177.5-177.2176.10113D352D352-K354 PolarHBondContact O-N 3.24Å; D352-K354 WeakPolarHBondContact OD1-CB 3.44Å; D352-K354 PolarHBondContact OD1-N 2.96Å
355V95.8Very high87.3Confident4 Ų437 Ų372%0.02419%0.187CC..  trans-71.9140.1-179167.30000110.1K127 V346 D349 D352K127-V355 PolarHBondContact NZ-O 3.41Å; V346-V355 HydrophobicContact CG1-CG2 4.02Å; D349-V355 WeakPolarHBondContact O-CB 3.41Å; D349-V355 WeakPolarHBondContact O-CG2 3.49Å; D352-V355 HydrophobicContact CB-CB 4.35Å; D352-V355 HydrophobicContact CB-CG2 3.81Å; D352-V355 WeakPolarHBondContact O-CB 3.44Å; D352-V355 PolarHBondContact O-N 3.43Å
356E95.3Very high84.8Confident67 Ų6742.7 Ų42.731%0.31321%0.213SC..  trans-116.8-16.5176.3-62.2-179.680.600111.7R345 V346R345-E356 HydrophobicContact CG-CB 3.98Å; R345-E356 IonicContact NH1-OE1 3.27Å; R345-E356 PolarHBondContact NH2-O 2.99Å; V346-E356 PolarHBondContact O-N 2.91Å
357N95Very high81.9Confident0 Ų048.8 Ų48.80%023%0.23CC..BIsolated β-bridgetrans-136.6107.9-174.4-154.1108.9000109.8M314 R345 V346 V347 G348M314-N357 HydrophobicContact CG-CB 4.38Å; M314-N357 WeakPolarHBondContact CG-ND2 3.37Å; R345-N357 HydrophobicContact CG-CB 4.24Å; R345-N357 PolarHBondContact NE-OD1 2.94Å; R345-N357 VanDerWaalsContact NE-OD1 3.09Å; V346-N357 PolarHBondContact O-N 2.8Å; V347-N357 VanDerWaalsContact CA-O 3.3Å; V347-N357 WeakPolarHBondContact CA-O 3.3Å; V347-N357 HydrophobicContact CB-CB 4.43Å; V347-N357 HydrophobicContact CG2-CB 3.99Å; G348-N357 PolarHBondContact N-O 2.82Å; G348-N357 VanDerWaalsContact N-O 3.15Å
358G95.3Very high78.9Confident0 Ų057.8 Ų57.80%027%0.268CS..  trans-80-165.7172.500000113G123 M314G123-G358 WeakPolarHBondContact O-CA 3.46Å; M314-G358 WeakPolarHBondContact CG-O 3.44Å
359P93.9Very high75.9Confident0 Ų062.2 Ų62.20%029%0.293CS..PPolyproline II helixtrans-74.2162.217134.7-39000111.7P54 V55 G123 M314 Y406 F407P54-P359 HydrophobicContact CB-CB 4.09Å; P54-P359 HydrophobicContact CB-CG 3.77Å; P54-P359 HydrophobicContact CG-CG 3.85Å; P54-P359 WeakPolarHBondContact O-CB 3.25Å; V55-P359 HydrophobicContact CG2-CG 3.85Å; G123-P359 VanDerWaalsContact O-CD 3.26Å; G123-P359 WeakPolarHBondContact O-CD 3.21Å; M314-P359 WeakPolarHBondContact CE-O 3.43Å; P359-Y406 CarbonylContact C-O 3.54Å; P359-Y406 WeakPolarHBondContact CA-O 3.38Å; P359-F407 HydrophobicContact CB-CD1 3.94Å; P359-F407 HydrophobicContact CB-CD2 4.13Å; P359-F407 HydrophobicContact CB-CE1 3.86Å; P359-F407 HydrophobicContact CB-CE2 4.07Å; P359-F407 HydrophobicContact CB-CG 4.09Å; P359-F407 HydrophobicContact CB-CZ 3.93Å; P359-F407 HydrophobicContact CG-CE1 4.07Å; P359-F407 HydrophobicContact CG-CZ 4.03Å; P359-F407 VanDerWaalsContact N-CE1 3.32Å
360Q91.8Very high73.3Confident0 Ų070.6 Ų70.60%032%0.318CS..PPolyproline II helixtrans-67.8147.4164.1-58.8-60.1-68.400109.8P54 M314 Q316 I380 Y406 F408P54-Q360 WeakPolarHBondContact CB-O 3.46Å; M314-Q360 PolarHBondContact O-NE2 2.95Å; M314-Q360 PolarHBondContact O-OE1 2.74Å; Q316-Q360 VanDerWaalsContact CG-OE1 3.25Å; Q360-I380 HydrophobicContact CG-CD1 3.78Å; Q360-Y406 PolarHBondContact N-O 3.21Å; Q360-Y406 WeakPolarHBondContact O-CB 3.29Å; Q360-F408 HydrophobicContact CG-CD2 3.8Å
361A85Confident70.4Confident0 Ų078.4 Ų78.40%036%0.355CS..PPolyproline II helixtrans-61.5142165.200000108.9W179W179-A361 HydrophobicContact CD2-CB 3.85Å; W179-A361 HydrophobicContact CE3-CB 3.26Å; W179-A361 HydrophobicContact CH2-CB 3.84Å; W179-A361 HydrophobicContact CZ2-CB 4.37Å; W179-A361 HydrophobicContact CZ3-CB 3.29Å
362R76.2Confident67.6Low8 Ų883 Ų833%0.0338%0.38CS..PPolyproline II helixtrans-80169.117467.1-179.8-173.6105.1-6.7110.9E50 I52 Q207 H364 Y406E50-R362 PolarHBondContact O-NH2 2.9Å; I52-R362 VanDerWaalsContact CB-CZ 3.5Å; I52-R362 VanDerWaalsContact CB-NH2 3.33Å; I52-R362 VanDerWaalsContact N-NH2 3.12Å; I52-R362 PolarHBondContact O-NE 3.09Å; I52-R362 VanDerWaalsContact O-NE 3.09Å; Q207-R362 WeakPolarHBondContact CG-O 3.42Å; R362-H364 VanDerWaalsContact CZ-CE1 3.47Å; R362-H364 PolarHBondContact NH1-CE1 3.37Å; R362-H364 PolarHBondContact NH1-ND1 2.92Å; R362-H364 PolarHBondContact NH1-NE2 2.87Å; R362-H364 PolarHBondContact NH2-CE1 3.24Å; R362-H364 PolarHBondContact NH2-ND1 2.93Å; R362-Y406 HydrophobicContact CB-CD2 4.01Å; R362-Y406 HydrophobicContact CB-CE2 3.58Å; R362-Y406 HydrophobicContact CG-CE2 4.45Å
363C57.3Low65.5Low23 Ų2381.6 Ų81.616%0.15537%0.372CS..PPolyproline II helixtrans-92.1166160.4-124.10000110.5D373 E375C363-D373 VanDerWaalsContact O-OD1 3.09Å; C363-E375 HydrophobicContact CB-CB 3.74Å; C363-E375 HydrophobicContact CB-CG 4.12Å; C363-E375 PolarHBondContact SG-OE2 3.19Å
364H53.4Low63.9Low29 Ų2981 Ų8113%0.13436%0.361CS..  trans-131.183.6171.2-144.9143.8000109E50 E206 F240 R362 D373E50-H364 PolarHBondContact O-CE1 3.05Å; E50-H364 PolarHBondContact O-ND1 2.91Å; E206-H364 HydrophobicContact CG-CB 3.91Å; F240-H364 HydrophobicContact CE1-CB 4.23Å; R362-H364 VanDerWaalsContact CZ-CE1 3.47Å; R362-H364 PolarHBondContact NH1-CE1 3.37Å; R362-H364 PolarHBondContact NH1-ND1 2.92Å; R362-H364 PolarHBondContact NH1-NE2 2.87Å; R362-H364 PolarHBondContact NH2-CE1 3.24Å; R362-H364 PolarHBondContact NH2-ND1 2.93Å; H364-D373 WeakPolarHBondContact CA-OD1 3.28Å; H364-D373 VanDerWaalsContact CA-OD2 3.28Å; H364-D373 WeakPolarHBondContact CA-OD2 3.32Å; H364-D373 IonicContact CD2-OD2 3.28Å; H364-D373 PolarHBondContact CD2-OD2 3.06Å; H364-D373 PolarHBondContact N-OD1 3.03Å
365Y42Very low62.9Low96 Ų9678.2 Ų78.238%0.37635%0.351SS..  trans-136.1123.4173.2-159.8-109.9000114.9P242 D373P242-Y365 HydrophobicContact CG-CE2 4.01Å; Y365-D373 VanDerWaalsContact N-CG 3.35Å; Y365-D373 PolarHBondContact N-OD1 3.22Å; Y365-D373 PolarHBondContact N-OD2 3.32Å
366K45.2Very low62.1Low143 Ų14379 Ų7962%0.62236%0.355SS*.  trans60.2121.5167.1-84-167.8169.5165.40121.2
367Y36.5Very low61.4Low191 Ų19176.2 Ų76.275%0.74934%0.341SS*.SBendtrans29.4111.5140.3-67.8-89.2000118.8V369Y367-V369 PolarHBondContact O-N 3.06Å
368F34.2Very low61Low209 Ų20979.8 Ų79.892%0.91736%0.363SS*.SBendtrans6435.7138.9-119.3-81.2000118.5
369V32.6Very low60.8Low102 Ų10283.3 Ų83.362%0.61838%0.379SS*.  trans-146.2124.3146.8-167.90000107.9Y367 Q371Y367-V369 PolarHBondContact O-N 3.06Å; V369-Q371 HydrophobicContact CG1-CB 3.98Å; V369-Q371 HydrophobicContact CG1-CG 4.42Å; V369-Q371 PolarHBondContact O-N 3.18Å
370R40.4Very low60.7Low261 Ų26183.3 Ų83.399%0.98538%0.379SS*.THydrogen-bonded Turntrans-57.411.7172.9-75.7-176.5169.1-162.7-3114.8
371Q33.1Very low60.7Low164 Ų16489 Ų8977%0.76640%0.404SS*.THydrogen-bonded Turntrans-121.7-3.4-170.9-69.1-152.6-20.500116.5V369V369-Q371 HydrophobicContact CG1-CB 3.98Å; V369-Q371 HydrophobicContact CG1-CG 4.42Å; V369-Q371 PolarHBondContact O-N 3.18Å
372I34Very low61.2Low142 Ų14293.5 Ų93.573%0.72842%0.424SS*.  trans-141.662-179.8-42.2177.7000112.2
373D50.3Low62.2Low36 Ų3693.2 Ų93.219%0.19342%0.423CS..  trans-130.550.4167-153-3.1000111C363 H364 Y365C363-D373 VanDerWaalsContact O-OD1 3.09Å; H364-D373 WeakPolarHBondContact CA-OD1 3.28Å; H364-D373 VanDerWaalsContact CA-OD2 3.28Å; H364-D373 WeakPolarHBondContact CA-OD2 3.32Å; H364-D373 IonicContact CD2-OD2 3.28Å; H364-D373 PolarHBondContact CD2-OD2 3.06Å; H364-D373 PolarHBondContact N-OD1 3.03Å; Y365-D373 VanDerWaalsContact N-CG 3.35Å; Y365-D373 PolarHBondContact N-OD1 3.22Å; Y365-D373 PolarHBondContact N-OD2 3.32Å
374K59.2Low64.1Low65 Ų6592.1 Ų92.128%0.28342%0.416SS..  trans-11520.2-178.1-61.7-159.5180-169.40112.3Q376 F377 T378 Y406K374-Q376 PolarHBondContact O-N 3.45Å; K374-Q376 VanDerWaalsContact O-N 3.13Å; K374-F377 HydrophobicContact CB-CB 4.26Å; K374-F377 HydrophobicContact CD-CD1 4.28Å; K374-F377 CarbonylContact O-C 3.44Å; K374-F377 WeakPolarHBondContact O-CA 2.88Å; K374-F377 WeakPolarHBondContact O-CB 3.29Å; K374-F377 PolarHBondContact O-N 3.35Å; K374-T378 WeakPolarHBondContact CB-OG1 3.02Å; K374-T378 WeakPolarHBondContact O-CB 3.37Å; K374-T378 PolarHBondContact O-N 3.16Å; K374-T378 PolarHBondContact O-OG1 2.69Å; K374-Y406 HydrophobicContact CD-CE1 4.08Å; K374-Y406 HydrophobicContact CG-CE1 3.95Å
375E73.9Confident66.2Low102 Ų10295 Ų9548%0.47743%0.429SS..Hα-helixtrans-48.3-50.8-165.5-62.6-179.3162.500114C363 F377 T378 K379C363-E375 HydrophobicContact CB-CB 3.74Å; C363-E375 HydrophobicContact CB-CG 4.12Å; C363-E375 PolarHBondContact SG-OE2 3.19Å; E375-F377 PolarHBondContact O-N 3.06Å; E375-T378 PolarHBondContact O-N 3.41Å; E375-K379 WeakPolarHBondContact O-CB 3.34Å; E375-K379 PolarHBondContact O-N 3.19Å
376Q79.2Confident68.9Low22 Ų2290.9 Ų90.910%0.10342%0.415CS..Hα-helixtrans-62.7-44.6178-17654.926.800112W179 K374 K379 I380 I427 F428W179-Q376 HydrophobicContact CZ2-CG 4.4Å; K374-Q376 PolarHBondContact O-N 3.45Å; K374-Q376 VanDerWaalsContact O-N 3.13Å; Q376-K379 PolarHBondContact O-N 3.14Å; Q376-I380 HydrophobicContact CG-CD1 4.21Å; Q376-I380 WeakPolarHBondContact O-CD1 3.45Å; Q376-I380 VanDerWaalsContact O-CG1 3.25Å; Q376-I380 WeakPolarHBondContact O-CG1 3.22Å; Q376-I380 PolarHBondContact O-N 3.39Å; Q376-I427 PolarHBondContact NE2-O 2.97Å; Q376-I427 VanDerWaalsContact NE2-O 3.12Å; Q376-F428 PolarHBondContact NE2-O 3.47Å
377F81.5Confident71.4Confident8 Ų884.1 Ų84.14%0.03539%0.385CS..Hα-helixtrans-66-42.5179-173.2-88.1000112.4K374 E375 K381 Q400 Y406 F408K374-F377 HydrophobicContact CB-CB 4.26Å; K374-F377 HydrophobicContact CD-CD1 4.28Å; K374-F377 CarbonylContact O-C 3.44Å; K374-F377 WeakPolarHBondContact O-CA 2.88Å; K374-F377 WeakPolarHBondContact O-CB 3.29Å; K374-F377 PolarHBondContact O-N 3.35Å; E375-F377 PolarHBondContact O-N 3.06Å; F377-K381 PolarHBondContact O-N 3.24Å; F377-Q400 HydrophobicContact CE2-CG 4.3Å; F377-Q400 HydrophobicContact CZ-CB 3.82Å; F377-Q400 VanDerWaalsContact CZ-CD 3.48Å; F377-Q400 HydrophobicContact CZ-CG 3.62Å; F377-Y406 HydrophobicContact CB-CD1 4.12Å; F377-Y406 AromaticContact CD2-CD1 3.96Å; F377-Y406 HydrophobicContact CD2-CD1 3.96Å; F377-Y406 HydrophobicContact CD2-CG 4.34Å; F377-Y406 HydrophobicContact CG-CD1 4.01Å; F377-F408 HydrophobicContact CB-CE2 4.37Å; F377-F408 HydrophobicContact CD1-CE2 4.12Å; F377-F408 HydrophobicContact CD1-CZ 4.37Å; F377-F408 AromaticContact CD2-CD2 3.55Å; F377-F408 HydrophobicContact CD2-CD2 3.55Å; F377-F408 AromaticContact CD2-CE2 3.13Å; F377-F408 HydrophobicContact CD2-CE2 3.13Å; F377-F408 HydrophobicContact CD2-CZ 4.08Å; F377-F408 HydrophobicContact CE1-CE2 4.13Å; F377-F408 HydrophobicContact CE1-CZ 4.14Å; F377-F408 AromaticContact CE2-CD2 3.37Å; F377-F408 HydrophobicContact CE2-CD2 3.37Å; F377-F408 AromaticContact CE2-CE2 3.14Å; F377-F408 HydrophobicContact CE2-CE2 3.14Å; F377-F408 HydrophobicContact CE2-CG 4.25Å; F377-F408 AromaticContact CE2-CZ 3.83Å; F377-F408 HydrophobicContact CE2-CZ 3.83Å; F377-F408 HydrophobicContact CG-CD2 4.46Å; F377-F408 AromaticContact CG-CE2 3.64Å; F377-F408 HydrophobicContact CG-CE2 3.64Å; F377-F408 HydrophobicContact CG-CZ 4.33Å; F377-F408 HydrophobicContact CZ-CD2 4.17Å; F377-F408 AromaticContact CZ-CE2 3.65Å; F377-F408 HydrophobicContact CZ-CE2 3.65Å; F377-F408 AromaticContact CZ-CZ 3.84Å; F377-F408 HydrophobicContact CZ-CZ 3.84Å; F377-F408 WeakPolarHBondContact O-CE2 3.42Å; F377-F408 WeakPolarHBondContact O-CZ 3.28Å
378T86.5Confident74.3Confident75 Ų7578.5 Ų78.546%0.4637%0.365SS..Hα-helixtrans-65.3-43.6175.3-61.90000110.8K374 E375 K381 E382K374-T378 WeakPolarHBondContact CB-OG1 3.02Å; K374-T378 WeakPolarHBondContact O-CB 3.37Å; K374-T378 PolarHBondContact O-N 3.16Å; K374-T378 PolarHBondContact O-OG1 2.69Å; E375-T378 PolarHBondContact O-N 3.41Å; T378-K381 WeakPolarHBondContact O-CB 3.35Å; T378-K381 PolarHBondContact O-N 3.34Å; T378-E382 WeakPolarHBondContact O-CB 3.28Å; T378-E382 PolarHBondContact O-N 2.91Å
379K90.6Very high77.3Confident74 Ų7472.8 Ų72.832%0.32236%0.356SS..Hα-helixtrans-60.7-45.8176.3-178.8-171.9174.8-167.70111.3E375 Q376 K381 E382 L383 E426E375-K379 WeakPolarHBondContact O-CB 3.34Å; E375-K379 PolarHBondContact O-N 3.19Å; Q376-K379 PolarHBondContact O-N 3.14Å; K379-K381 VanDerWaalsContact C-N 3.32Å; K379-K381 PolarHBondContact O-N 2.79Å; K379-E382 PolarHBondContact O-N 3.48Å; K379-L383 HydrophobicContact CG-CD1 4.02Å; K379-L383 WeakPolarHBondContact O-CB 3.38Å; K379-L383 WeakPolarHBondContact O-CG 3.11Å; K379-L383 PolarHBondContact O-N 2.99Å; K379-E426 WeakPolarHBondContact CE-O 3.09Å; K379-E426 PolarHBondContact NZ-O 2.94Å
380I92.3Very high80.5Confident0 Ų071.1 Ų71.10%034%0.342CS..Hα-helixtrans-59.7-46.7175.5-67.7163.3000109.9Q360 Q376 E382 L383 I384 F408 I427 V431Q360-I380 HydrophobicContact CG-CD1 3.78Å; Q376-I380 HydrophobicContact CG-CD1 4.21Å; Q376-I380 WeakPolarHBondContact O-CD1 3.45Å; Q376-I380 VanDerWaalsContact O-CG1 3.25Å; Q376-I380 WeakPolarHBondContact O-CG1 3.22Å; Q376-I380 PolarHBondContact O-N 3.39Å; I380-E382 PolarHBondContact O-N 3.17Å; I380-L383 PolarHBondContact O-N 2.85Å; I380-I384 HydrophobicContact CG2-CD1 3.77Å; I380-I384 HydrophobicContact CG2-CG1 4.45Å; I380-I384 VanDerWaalsContact O-CG1 3.3Å; I380-I384 WeakPolarHBondContact O-CG1 3.42Å; I380-I384 PolarHBondContact O-N 3.48Å; I380-F408 HydrophobicContact CB-CD2 4.48Å; I380-F408 HydrophobicContact CB-CE2 3.84Å; I380-F408 HydrophobicContact CB-CZ 3.99Å; I380-F408 HydrophobicContact CD1-CD2 4.37Å; I380-F408 HydrophobicContact CD1-CE2 4.31Å; I380-F408 HydrophobicContact CG2-CD1 4.18Å; I380-F408 HydrophobicContact CG2-CD2 4.03Å; I380-F408 HydrophobicContact CG2-CE1 3.92Å; I380-F408 HydrophobicContact CG2-CE2 3.7Å; I380-F408 HydrophobicContact CG2-CG 4.24Å; I380-F408 HydrophobicContact CG2-CZ 3.67Å; I380-I427 HydrophobicContact CB-CG2 4.47Å; I380-I427 HydrophobicContact CG1-CG2 4.06Å; I380-I427 HydrophobicContact CG2-CG2 4.31Å; I380-V431 HydrophobicContact CG2-CG2 4.45Å
381K92.6Very high83.2Confident120 Ų12061.4 Ų61.452%0.52232%0.323SS..Hα-helixtrans-59.4-47.2177.5-170177178.4-179.80111.8F377 T378 K379 L383 I384 E385 F408F377-K381 PolarHBondContact O-N 3.24Å; T378-K381 WeakPolarHBondContact O-CB 3.35Å; T378-K381 PolarHBondContact O-N 3.34Å; K379-K381 VanDerWaalsContact C-N 3.32Å; K379-K381 PolarHBondContact O-N 2.79Å; K381-L383 PolarHBondContact O-N 3.41Å; K381-I384 PolarHBondContact O-N 3.02Å; K381-E385 WeakPolarHBondContact O-CG 3.33Å; K381-E385 PolarHBondContact O-N 3.37Å; K381-F408 HydrophobicContact CB-CZ 4.1Å
382E95.2Very high86.3Confident94 Ų9453.9 Ų53.944%0.43929%0.289SS..Hα-helixtrans-59.1-46178.9-172-164.4138.200111.5T378 K379 I380 E385 S386 R421T378-E382 WeakPolarHBondContact O-CB 3.28Å; T378-E382 PolarHBondContact O-N 2.91Å; K379-E382 PolarHBondContact O-N 3.48Å; I380-E382 PolarHBondContact O-N 3.17Å; E382-E385 PolarHBondContact O-N 3.48Å; E382-S386 PolarHBondContact O-N 3.3Å; E382-R421 IonicContact OE1-CZ 2.67Å; E382-R421 VanDerWaalsContact OE1-CZ 3.27Å; E382-R421 IonicContact OE1-NH1 2.63Å; E382-R421 PolarHBondContact OE1-NH1 2.83Å; E382-R421 IonicContact OE1-NH2 3.37Å; E382-R421 PolarHBondContact OE1-NH2 3.39Å
383L96.2Very high89.3Confident1 Ų153.3 Ų53.31%0.00528%0.283CS..Hα-helixtrans-68.4-34.7178.8-72.6169000112.1K379 I380 K381 S386 G387 R421 I422 E425 I427K379-L383 HydrophobicContact CG-CD1 4.02Å; K379-L383 WeakPolarHBondContact O-CB 3.38Å; K379-L383 WeakPolarHBondContact O-CG 3.11Å; K379-L383 PolarHBondContact O-N 2.99Å; I380-L383 PolarHBondContact O-N 2.85Å; K381-L383 PolarHBondContact O-N 3.41Å; L383-S386 PolarHBondContact O-N 3.43Å; L383-S386 PolarHBondContact O-OG 3.34Å; L383-G387 PolarHBondContact O-N 3.24Å; L383-R421 HydrophobicContact CD2-CB 4.29Å; L383-I422 HydrophobicContact CB-CG2 4.34Å; L383-I422 WeakPolarHBondContact O-CG2 3.17Å; L383-E425 HydrophobicContact CD2-CB 4.07Å; L383-I427 HydrophobicContact CB-CG1 4.15Å; L383-I427 HydrophobicContact CD1-CB 4.18Å; L383-I427 HydrophobicContact CD1-CG1 3.77Å; L383-I427 HydrophobicContact CD1-CG2 4.42Å
384I96.8Very high91.6Very high1 Ų154.6 Ų54.61%0.00529%0.289CS..Hα-helixtrans-62.5-45.8171.7-72167.8000110.5I380 K381 G387 K388 F408 F413 V431I380-I384 HydrophobicContact CG2-CD1 3.77Å; I380-I384 HydrophobicContact CG2-CG1 4.45Å; I380-I384 VanDerWaalsContact O-CG1 3.3Å; I380-I384 WeakPolarHBondContact O-CG1 3.42Å; I380-I384 PolarHBondContact O-N 3.48Å; K381-I384 PolarHBondContact O-N 3.02Å; I384-G387 PolarHBondContact O-N 2.69Å; I384-K388 PolarHBondContact O-N 2.89Å; I384-F408 HydrophobicContact CD1-CD1 4.18Å; I384-F408 HydrophobicContact CD1-CE1 3.91Å; I384-F413 HydrophobicContact CG1-CE2 4.5Å; I384-F413 HydrophobicContact CG2-CE2 4.37Å; I384-F413 HydrophobicContact CG2-CZ 4.22Å; I384-F413 WeakPolarHBondContact O-CZ 3.46Å; I384-V431 HydrophobicContact CD1-CG2 4.02Å; I384-V431 HydrophobicContact CG1-CG2 3.94Å
385E97.8Very high93.5Very high88 Ų8854.8 Ų54.841%0.41129%0.292SS..Hα-helixtrans-65.3-38.7177.6-66.2-49.3127.300112.1K381 E382 G387 K388 A389K381-E385 WeakPolarHBondContact O-CG 3.33Å; K381-E385 PolarHBondContact O-N 3.37Å; E382-E385 PolarHBondContact O-N 3.48Å; E385-G387 VanDerWaalsContact C-N 3.31Å; E385-G387 PolarHBondContact O-N 2.98Å; E385-K388 PolarHBondContact O-N 3.02Å; E385-K388 IonicContact OE1-NZ 2.6Å; E385-K388 PolarHBondContact OE1-NZ 3.33Å; E385-K388 IonicContact OE2-NZ 2.66Å; E385-A389 WeakPolarHBondContact O-CB 3.3Å; E385-A389 PolarHBondContact O-N 3.08Å
386S98.2Very high94.7Very high11 Ų1150.6 Ų50.68%0.07727%0.274CS..Hα-helixtrans-63.5-39.2175.282.50000111.5E382 L383 K388 A389 E390E382-S386 PolarHBondContact O-N 3.3Å; L383-S386 PolarHBondContact O-N 3.43Å; L383-S386 PolarHBondContact O-OG 3.34Å; S386-K388 VanDerWaalsContact C-N 3.34Å; S386-K388 PolarHBondContact O-N 3.24Å; S386-A389 PolarHBondContact O-N 3.35Å; S386-E390 WeakPolarHBondContact O-CB 3.13Å; S386-E390 VanDerWaalsContact O-CG 3.28Å; S386-E390 WeakPolarHBondContact O-CG 3.38Å; S386-E390 PolarHBondContact O-N 3.46Å
387G98Very high95.5Very high0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-57.4-45174.700000112.8L383 I384 E385 G391 A392L383-G387 PolarHBondContact O-N 3.24Å; I384-G387 PolarHBondContact O-N 2.69Å; E385-G387 VanDerWaalsContact C-N 3.31Å; E385-G387 PolarHBondContact O-N 2.98Å; G387-G391 PolarHBondContact O-N 3.14Å; G387-A392 VanDerWaalsContact O-CB 3.29Å; G387-A392 WeakPolarHBondContact O-CB 3.25Å; G387-A392 PolarHBondContact O-N 3.02Å
388K98Very high96.1Very high74 Ų7451 Ų5132%0.32229%0.287SS..Hα-helixtrans-63.4-48.5174.7-63.4167.6-175.41680111.3I384 E385 S386 E390 G391 L394 F413I384-K388 PolarHBondContact O-N 2.89Å; E385-K388 PolarHBondContact O-N 3.02Å; E385-K388 IonicContact OE1-NZ 2.6Å; E385-K388 PolarHBondContact OE1-NZ 3.33Å; E385-K388 IonicContact OE2-NZ 2.66Å; S386-K388 VanDerWaalsContact C-N 3.34Å; S386-K388 PolarHBondContact O-N 3.24Å; K388-E390 VanDerWaalsContact C-N 3.31Å; K388-E390 PolarHBondContact O-N 2.82Å; K388-G391 PolarHBondContact O-N 3.42Å; K388-L394 VanDerWaalsContact CE-CD2 3.41Å; K388-L394 HydrophobicContact CG-CB 4.47Å; K388-F413 HydrophobicContact CG-CE1 4.06Å; K388-F413 HydrophobicContact CG-CZ 4.1Å
389A98.2Very high96.2Very high89 Ų8948.6 Ų48.674%0.73628%0.277SS*.Hα-helixtrans-65.4-33.3-175.700000113.1E385 S386 G391E385-A389 WeakPolarHBondContact O-CB 3.3Å; E385-A389 PolarHBondContact O-N 3.08Å; S386-A389 PolarHBondContact O-N 3.35Å; A389-G391 VanDerWaalsContact C-N 3.31Å
390E98.3Very high96.2Very high67 Ų6748.8 Ų48.831%0.31328%0.279SS..THydrogen-bonded Turntrans-87.81.7-179.8-65.4169.2-172.600113.1S386 K388 M420 R421S386-E390 WeakPolarHBondContact O-CB 3.13Å; S386-E390 VanDerWaalsContact O-CG 3.28Å; S386-E390 WeakPolarHBondContact O-CG 3.38Å; S386-E390 PolarHBondContact O-N 3.46Å; K388-E390 VanDerWaalsContact C-N 3.31Å; K388-E390 PolarHBondContact O-N 2.82Å; E390-M420 HydrophobicContact CB-CB 4.48Å; E390-M420 HydrophobicContact CB-CG 4.01Å; E390-M420 VanDerWaalsContact O-CE 3.29Å; E390-M420 WeakPolarHBondContact O-CE 3.42Å; E390-M420 VanDerWaalsContact OE2-C 3.31Å; E390-M420 WeakPolarHBondContact OE2-CA 3.38Å; E390-M420 VanDerWaalsContact OE2-CB 3.28Å; E390-M420 WeakPolarHBondContact OE2-CB 3.43Å; E390-R421 WeakPolarHBondContact OE1-CD 3.23Å; E390-R421 WeakPolarHBondContact OE1-CG 3.48Å; E390-R421 PolarHBondContact OE2-N 2.81Å
391G97.3Very high96.2Very high56 Ų5653.2 Ų53.258%0.57730%0.298SS*.THydrogen-bonded Turntrans100.38.8168.300000116.3G387 K388 A389G387-G391 PolarHBondContact O-N 3.14Å; K388-G391 PolarHBondContact O-N 3.42Å; A389-G391 VanDerWaalsContact C-N 3.31Å
392A98Very high96.2Very high7 Ų751.6 Ų51.66%0.05829%0.291CS..  trans-70.1138.4169.300000110.4G387 L394 F413 V416 M420 I422G387-A392 VanDerWaalsContact O-CB 3.29Å; G387-A392 WeakPolarHBondContact O-CB 3.25Å; G387-A392 PolarHBondContact O-N 3.02Å; A392-L394 PolarHBondContact O-N 3Å; A392-F413 HydrophobicContact CB-CB 4.3Å; A392-F413 HydrophobicContact CB-CD1 3.54Å; A392-F413 HydrophobicContact CB-CE1 4.16Å; A392-F413 HydrophobicContact CB-CG 4.17Å; A392-V416 HydrophobicContact CB-CG2 4.12Å; A392-M420 HydrophobicContact CB-CE 4.25Å; A392-M420 HydrophobicContact CB-SD 3.9Å; A392-I422 HydrophobicContact CB-CD1 3.8Å
393Q98.4Very high95.8Very high130 Ų13053 Ų5361%0.60731%0.311SS*.EExtended strand (participates in β ladder)trans-79.1115.2177-87-174.7-6.600110.6M395 F413 A414Q393-M395 HydrophobicContact CB-SD 3.95Å; Q393-M395 PolarHBondContact O-N 3.48Å; Q393-F413 CarbonylContact O-C 3.57Å; Q393-F413 VanDerWaalsContact O-CA 3.27Å; Q393-F413 WeakPolarHBondContact O-CA 3.39Å; Q393-F413 WeakPolarHBondContact O-CD1 3.38Å; Q393-A414 PolarHBondContact N-O 3.12Å; Q393-A414 PolarHBondContact O-N 3.32Å
394L98.6Very high95.4Very high62 Ų6257.8 Ų57.833%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-72.9110.6168.9179.265.8000109.5K388 A392 C396 T411 F413K388-L394 VanDerWaalsContact CE-CD2 3.41Å; K388-L394 HydrophobicContact CG-CB 4.47Å; A392-L394 PolarHBondContact O-N 3Å; L394-C396 VanDerWaalsContact CD1-O 3.26Å; L394-C396 WeakPolarHBondContact CD1-O 3.31Å; L394-T411 HydrophobicContact CD1-CG2 3.62Å; L394-F413 HydrophobicContact CB-CD1 4.22Å; L394-F413 HydrophobicContact CB-CE1 3.74Å; L394-F413 HydrophobicContact CB-CZ 4.33Å; L394-F413 HydrophobicContact CD1-CD1 4.49Å; L394-F413 HydrophobicContact CD1-CE1 4.08Å; L394-F413 HydrophobicContact CD1-CE2 4.24Å; L394-F413 HydrophobicContact CD1-CZ 3.94Å
395M98.6Very high95Very high70 Ų7057.7 Ų57.735%0.34533%0.333SS..EExtended strand (participates in β ladder)trans-90.5-32.8-176.7-57.2-57-67.200112.9V335 V339 Q393 V412 A414V335-M395 HydrophobicContact CG1-CE 3.99Å; V335-M395 HydrophobicContact CG1-CG 4.19Å; V339-M395 HydrophobicContact CG2-CB 3.38Å; V339-M395 HydrophobicContact CG2-CG 4.16Å; Q393-M395 HydrophobicContact CB-SD 3.95Å; Q393-M395 PolarHBondContact O-N 3.48Å; M395-V412 HydrophobicContact CB-CB 4.49Å; M395-V412 HydrophobicContact CB-CG1 4.47Å; M395-V412 PolarHBondContact N-O 3.09Å; M395-A414 HydrophobicContact CG-CB 3.6Å; M395-A414 HydrophobicContact SD-CB 3.85Å
396C98.3Very high94.7Very high14 Ų1454.3 Ų54.310%0.09532%0.316CS..EExtended strand (participates in β ladder)trans-162.7164.817264.70000111.8V339 K343 L394 T411 V412V339-C396 HydrophobicContact CG1-CB 4.05Å; K343-C396 HydrophobicContact CD-CB 4.48Å; K343-C396 HydrophobicContact CG-CB 4.05Å; L394-C396 VanDerWaalsContact CD1-O 3.26Å; L394-C396 WeakPolarHBondContact CD1-O 3.31Å; C396-T411 WeakPolarHBondContact O-CA 3.33Å; C396-V412 PolarHBondContact O-N 2.81Å
397G97.3Very high94.5Very high29 Ų2954.1 Ų54.130%0.29931%0.314SS..  trans71.8-135.3-179.700000111.9
398G92.2Very high94.2Very high10 Ų1054.2 Ų54.210%0.10332%0.315CS..  trans86.315.1176.800000114.5T411G398-T411 PolarHBondContact N-OG1 3.06Å
399G89.6Confident94.1Very high24 Ų2453.3 Ų53.325%0.24731%0.312CS..SBendtrans-148.2168.8-175.900000114.6F408 E409G399-F408 WeakPolarHBondContact O-CD1 3.4Å; G399-E409 PolarHBondContact O-N 3.38Å
400Q90.8Very high94.1Very high78 Ų7849.5 Ų49.536%0.36428%0.28SS..BIsolated β-bridgetrans-72.1134.5169.8-177.3171-4.900109.6F377 F402 G405 F407F377-Q400 HydrophobicContact CE2-CG 4.3Å; F377-Q400 HydrophobicContact CZ-CB 3.82Å; F377-Q400 VanDerWaalsContact CZ-CD 3.48Å; F377-Q400 HydrophobicContact CZ-CG 3.62Å; Q400-F402 VanDerWaalsContact CD-O 3.27Å; Q400-F402 WeakPolarHBondContact CG-O 3.33Å; Q400-F402 PolarHBondContact NE2-O 3.19Å; Q400-G405 PolarHBondContact NE2-O 2.83Å; Q400-F407 CarbonylContact C-O 3.45Å; Q400-F407 WeakPolarHBondContact CA-O 3.35Å
401K92.3Very high94.1Very high93 Ų9346.3 Ų46.340%0.40427%0.265SS..SBendtrans-79.5-42.8-176.4-171.870.5-174.8169.70113.6V347 F407 E409V347-K401 HydrophobicContact CB-CG 4.35Å; V347-K401 HydrophobicContact CG1-CB 4.28Å; V347-K401 HydrophobicContact CG1-CG 4.19Å; K401-F407 HydrophobicContact CB-CB 3.93Å; K401-F407 PolarHBondContact N-O 2.93Å; K401-E409 HydrophobicContact CB-CG 4.14Å; K401-E409 HydrophobicContact CD-CG 3.62Å; K401-E409 WeakPolarHBondContact CD-OE1 3.36Å; K401-E409 IonicContact NZ-OE1 3.74Å; K401-E409 PolarHBondContact NZ-OE1 3.15Å
402F91.9Very high94.2Very high85 Ų8543.7 Ų43.737%0.37324%0.237SC..  trans-130.4154.6-173.6-53.4-57.8000110.7V347 Q400 F407V347-F402 HydrophobicContact CG1-CE2 4.29Å; Q400-F402 VanDerWaalsContact CD-O 3.27Å; Q400-F402 WeakPolarHBondContact CG-O 3.33Å; Q400-F402 PolarHBondContact NE2-O 3.19Å; F402-F407 HydrophobicContact CB-CD2 4.46Å; F402-F407 HydrophobicContact CD2-CB 3.7Å; F402-F407 HydrophobicContact CD2-CD1 4.09Å; F402-F407 AromaticContact CD2-CD2 3.59Å; F402-F407 HydrophobicContact CD2-CD2 3.59Å; F402-F407 HydrophobicContact CD2-CE2 4.17Å; F402-F407 AromaticContact CD2-CG 3.52Å; F402-F407 HydrophobicContact CD2-CG 3.52Å; F402-F407 HydrophobicContact CE2-CB 4.26Å; F402-F407 HydrophobicContact CE2-CD1 4.12Å; F402-F407 HydrophobicContact CE2-CD2 4.39Å; F402-F407 HydrophobicContact CE2-CG 4.01Å
403S86.9Confident94.3Very high123 Ų12343.3 Ų43.386%0.8623%0.234SC*.SBendtrans-71.5-28.8-179.751.10000114
404E88.1Confident94.3Very high102 Ų10237.3 Ų37.348%0.47721%0.207SC..SBendtrans-107.3140.2174.9-173.6-178.7-118.400109.6
405G89Confident94.2Very high0 Ų035.8 Ų35.80%021%0.206CC..SBendtrans80.8164.1179.200000113.5P54 V55 E57 Q400 F407P54-G405 WeakPolarHBondContact O-CA 3.47Å; V55-G405 WeakPolarHBondContact O-CA 3.12Å; E57-G405 PolarHBondContact OE1-N 3.02Å; Q400-G405 PolarHBondContact NE2-O 2.83Å; G405-F407 VanDerWaalsContact C-N 3.28Å; G405-F407 PolarHBondContact O-N 2.86Å; G405-F407 VanDerWaalsContact O-N 3.12Å
406Y90.8Very high94.2Very high16 Ų1632.4 Ų32.46%0.06319%0.189CC..  trans-91.946.5-170.5-55.3-72.1000112.9P54 E57 P359 Q360 R362 K374 F377P54-Y406 HydrophobicContact CB-CD2 3.71Å; P54-Y406 HydrophobicContact CB-CE2 4.38Å; P54-Y406 WeakPolarHBondContact O-CD2 3.3Å; P54-Y406 PolarHBondContact O-N 3.31Å; E57-Y406 HydrophobicContact CG-CE2 4Å; P359-Y406 CarbonylContact C-O 3.54Å; P359-Y406 WeakPolarHBondContact CA-O 3.38Å; Q360-Y406 PolarHBondContact N-O 3.21Å; Q360-Y406 WeakPolarHBondContact O-CB 3.29Å; R362-Y406 HydrophobicContact CB-CD2 4.01Å; R362-Y406 HydrophobicContact CB-CE2 3.58Å; R362-Y406 HydrophobicContact CG-CE2 4.45Å; K374-Y406 HydrophobicContact CD-CE1 4.08Å; K374-Y406 HydrophobicContact CG-CE1 3.95Å; F377-Y406 HydrophobicContact CB-CD1 4.12Å; F377-Y406 AromaticContact CD2-CD1 3.96Å; F377-Y406 HydrophobicContact CD2-CD1 3.96Å; F377-Y406 HydrophobicContact CD2-CG 4.34Å; F377-Y406 HydrophobicContact CG-CD1 4.01Å
407F93.5Very high94.2Very high7 Ų736.1 Ų36.13%0.03121%0.205CC..  trans-83.6125.2-176.2-63.6-89.1000112.3V55 V347 G348 P359 Q400 K401 F402 G405V55-F407 HydrophobicContact CG1-CZ 4.23Å; V55-F407 WeakPolarHBondContact O-CE2 3.4Å; V347-F407 HydrophobicContact CG1-CB 4.17Å; V347-F407 HydrophobicContact CG1-CD1 3.83Å; V347-F407 HydrophobicContact CG1-CG 4.45Å; G348-F407 WeakPolarHBondContact O-CE1 3.21Å; P359-F407 HydrophobicContact CB-CD1 3.94Å; P359-F407 HydrophobicContact CB-CD2 4.13Å; P359-F407 HydrophobicContact CB-CE1 3.86Å; P359-F407 HydrophobicContact CB-CE2 4.07Å; P359-F407 HydrophobicContact CB-CG 4.09Å; P359-F407 HydrophobicContact CB-CZ 3.93Å; P359-F407 HydrophobicContact CG-CE1 4.07Å; P359-F407 HydrophobicContact CG-CZ 4.03Å; P359-F407 VanDerWaalsContact N-CE1 3.32Å; Q400-F407 CarbonylContact C-O 3.45Å; Q400-F407 WeakPolarHBondContact CA-O 3.35Å; K401-F407 HydrophobicContact CB-CB 3.93Å; K401-F407 PolarHBondContact N-O 2.93Å; F402-F407 HydrophobicContact CB-CD2 4.46Å; F402-F407 HydrophobicContact CD2-CB 3.7Å; F402-F407 HydrophobicContact CD2-CD1 4.09Å; F402-F407 AromaticContact CD2-CD2 3.59Å; F402-F407 HydrophobicContact CD2-CD2 3.59Å; F402-F407 HydrophobicContact CD2-CE2 4.17Å; F402-F407 AromaticContact CD2-CG 3.52Å; F402-F407 HydrophobicContact CD2-CG 3.52Å; F402-F407 HydrophobicContact CE2-CB 4.26Å; F402-F407 HydrophobicContact CE2-CD1 4.12Å; F402-F407 HydrophobicContact CE2-CD2 4.39Å; F402-F407 HydrophobicContact CE2-CG 4.01Å; G405-F407 VanDerWaalsContact C-N 3.28Å; G405-F407 PolarHBondContact O-N 2.86Å; G405-F407 VanDerWaalsContact O-N 3.12Å
408F92.9Very high94.2Very high3 Ų336.7 Ų36.71%0.01320%0.202CC..BIsolated β-bridgetrans-109.9143.6172.5-95.7-76.6000111.4Q360 F377 I380 K381 I384 G399 P430Q360-F408 HydrophobicContact CG-CD2 3.8Å; F377-F408 HydrophobicContact CB-CE2 4.37Å; F377-F408 HydrophobicContact CD1-CE2 4.12Å; F377-F408 HydrophobicContact CD1-CZ 4.37Å; F377-F408 AromaticContact CD2-CD2 3.55Å; F377-F408 HydrophobicContact CD2-CD2 3.55Å; F377-F408 AromaticContact CD2-CE2 3.13Å; F377-F408 HydrophobicContact CD2-CE2 3.13Å; F377-F408 HydrophobicContact CD2-CZ 4.08Å; F377-F408 HydrophobicContact CE1-CE2 4.13Å; F377-F408 HydrophobicContact CE1-CZ 4.14Å; F377-F408 AromaticContact CE2-CD2 3.37Å; F377-F408 HydrophobicContact CE2-CD2 3.37Å; F377-F408 AromaticContact CE2-CE2 3.14Å; F377-F408 HydrophobicContact CE2-CE2 3.14Å; F377-F408 HydrophobicContact CE2-CG 4.25Å; F377-F408 AromaticContact CE2-CZ 3.83Å; F377-F408 HydrophobicContact CE2-CZ 3.83Å; F377-F408 HydrophobicContact CG-CD2 4.46Å; F377-F408 AromaticContact CG-CE2 3.64Å; F377-F408 HydrophobicContact CG-CE2 3.64Å; F377-F408 HydrophobicContact CG-CZ 4.33Å; F377-F408 HydrophobicContact CZ-CD2 4.17Å; F377-F408 AromaticContact CZ-CE2 3.65Å; F377-F408 HydrophobicContact CZ-CE2 3.65Å; F377-F408 AromaticContact CZ-CZ 3.84Å; F377-F408 HydrophobicContact CZ-CZ 3.84Å; F377-F408 WeakPolarHBondContact O-CE2 3.42Å; F377-F408 WeakPolarHBondContact O-CZ 3.28Å; I380-F408 HydrophobicContact CB-CD2 4.48Å; I380-F408 HydrophobicContact CB-CE2 3.84Å; I380-F408 HydrophobicContact CB-CZ 3.99Å; I380-F408 HydrophobicContact CD1-CD2 4.37Å; I380-F408 HydrophobicContact CD1-CE2 4.31Å; I380-F408 HydrophobicContact CG2-CD1 4.18Å; I380-F408 HydrophobicContact CG2-CD2 4.03Å; I380-F408 HydrophobicContact CG2-CE1 3.92Å; I380-F408 HydrophobicContact CG2-CE2 3.7Å; I380-F408 HydrophobicContact CG2-CG 4.24Å; I380-F408 HydrophobicContact CG2-CZ 3.67Å; K381-F408 HydrophobicContact CB-CZ 4.1Å; I384-F408 HydrophobicContact CD1-CD1 4.18Å; I384-F408 HydrophobicContact CD1-CE1 3.91Å; G399-F408 WeakPolarHBondContact O-CD1 3.4Å; F408-P430 HydrophobicContact CB-CG 3.66Å
409E96.1Very high94.4Very high55 Ų5541.7 Ų41.726%0.25722%0.222SC..  trans-69.8135.5168.9-65.7-168.4122.800110.9G399 K401 T411G399-E409 PolarHBondContact O-N 3.38Å; K401-E409 HydrophobicContact CB-CG 4.14Å; K401-E409 HydrophobicContact CD-CG 3.62Å; K401-E409 WeakPolarHBondContact CD-OE1 3.36Å; K401-E409 IonicContact NZ-OE1 3.74Å; K401-E409 PolarHBondContact NZ-OE1 3.15Å; E409-T411 PolarHBondContact O-N 3.21Å; E409-T411 PolarHBondContact O-OG1 2.97Å
410P98Very high94.8Very high9 Ų940.8 Ų40.86%0.05821%0.211CC..  trans-50.7115.9166-28.236.7000109.8F311 A342 R345 V347F311-P410 HydrophobicContact CD1-CB 3.9Å; F311-P410 HydrophobicContact CE1-CB 3.58Å; F311-P410 HydrophobicContact CZ-CB 3.99Å; A342-P410 HydrophobicContact CB-CB 4.08Å; R345-P410 HydrophobicContact CB-CG 4.09Å; R345-P410 HydrophobicContact CG-CG 4.22Å; V347-P410 HydrophobicContact CG2-CG 4.13Å
411T98.5Very high95.1Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-111.1134.7-169.7-61.20000109.9L394 C396 G398 E409 F413 P430 V431 Q432L394-T411 HydrophobicContact CD1-CG2 3.62Å; C396-T411 WeakPolarHBondContact O-CA 3.33Å; G398-T411 PolarHBondContact N-OG1 3.06Å; E409-T411 PolarHBondContact O-N 3.21Å; E409-T411 PolarHBondContact O-OG1 2.97Å; T411-F413 HydrophobicContact CG2-CD2 4.14Å; T411-F413 HydrophobicContact CG2-CE2 3.91Å; T411-P430 WeakPolarHBondContact CB-O 3.43Å; T411-P430 PolarHBondContact N-O 2.93Å; T411-V431 HydrophobicContact CG2-CG1 4.13Å; T411-V431 HydrophobicContact CG2-CG2 4.46Å; T411-V431 WeakPolarHBondContact O-CA 3.34Å; T411-Q432 PolarHBondContact O-N 3.31Å
412V98.8Very high95.4Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-126.1124177.4-178.70000109.6F311 V339 A342 M395 C396 Q432 I434F311-V412 HydrophobicContact CZ-CG2 4.17Å; V339-V412 HydrophobicContact CG2-CB 4.25Å; V339-V412 HydrophobicContact CG2-CG1 4.05Å; A342-V412 HydrophobicContact CB-CG2 3.61Å; M395-V412 HydrophobicContact CB-CB 4.49Å; M395-V412 HydrophobicContact CB-CG1 4.47Å; M395-V412 PolarHBondContact N-O 3.09Å; C396-V412 PolarHBondContact O-N 2.81Å; V412-Q432 HydrophobicContact CG2-CB 4.32Å; V412-I434 HydrophobicContact CG1-CD1 3.67Å; V412-I434 HydrophobicContact CG1-CG1 4.35Å
413F98.9Very high95.6Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-105.7134.8169-79.9-78.3000110.8I384 K388 A392 Q393 L394 T411 V416 I422 V431 Q432 I434I384-F413 HydrophobicContact CG1-CE2 4.5Å; I384-F413 HydrophobicContact CG2-CE2 4.37Å; I384-F413 HydrophobicContact CG2-CZ 4.22Å; I384-F413 WeakPolarHBondContact O-CZ 3.46Å; K388-F413 HydrophobicContact CG-CE1 4.06Å; K388-F413 HydrophobicContact CG-CZ 4.1Å; A392-F413 HydrophobicContact CB-CB 4.3Å; A392-F413 HydrophobicContact CB-CD1 3.54Å; A392-F413 HydrophobicContact CB-CE1 4.16Å; A392-F413 HydrophobicContact CB-CG 4.17Å; Q393-F413 CarbonylContact O-C 3.57Å; Q393-F413 VanDerWaalsContact O-CA 3.27Å; Q393-F413 WeakPolarHBondContact O-CA 3.39Å; Q393-F413 WeakPolarHBondContact O-CD1 3.38Å; L394-F413 HydrophobicContact CB-CD1 4.22Å; L394-F413 HydrophobicContact CB-CE1 3.74Å; L394-F413 HydrophobicContact CB-CZ 4.33Å; L394-F413 HydrophobicContact CD1-CD1 4.49Å; L394-F413 HydrophobicContact CD1-CE1 4.08Å; L394-F413 HydrophobicContact CD1-CE2 4.24Å; L394-F413 HydrophobicContact CD1-CZ 3.94Å; T411-F413 HydrophobicContact CG2-CD2 4.14Å; T411-F413 HydrophobicContact CG2-CE2 3.91Å; F413-V416 HydrophobicContact CB-CG2 3.73Å; F413-I422 HydrophobicContact CB-CD1 4.37Å; F413-I422 HydrophobicContact CD2-CD1 4.22Å; F413-I422 HydrophobicContact CG-CD1 4.15Å; F413-V431 HydrophobicContact CD2-CG1 3.82Å; F413-V431 HydrophobicContact CE2-CG1 4.13Å; F413-Q432 PolarHBondContact N-O 2.67Å; F413-I434 PolarHBondContact O-N 2.76Å
414A98.7Very high96.1Very high3 Ų333 Ų333%0.02516%0.156CC..EExtended strand (participates in β ladder)trans-110.6158.5170.600000110.8V335 Q393 M395 V416V335-A414 HydrophobicContact CG1-CB 3.93Å; V335-A414 HydrophobicContact CG2-CB 4.22Å; Q393-A414 PolarHBondContact N-O 3.12Å; Q393-A414 PolarHBondContact O-N 3.32Å; M395-A414 HydrophobicContact CG-CB 3.6Å; M395-A414 HydrophobicContact SD-CB 3.85Å; A414-V416 VanDerWaalsContact C-N 3.28Å; A414-V416 PolarHBondContact O-N 2.94Å
415G97.5Very high96.5Very high30 Ų3031.5 Ų31.531%0.30915%0.149SC..SBendtrans71.223.2176.200000113.4Y331 Q417 I434Y331-G415 PolarHBondContact OH-N 2.96Å; G415-Q417 PolarHBondContact O-NE2 3.41Å; G415-I434 PolarHBondContact N-O 3.24Å
416V98.5Very high96.8Very high0 Ų032.5 Ų32.50%015%0.153CC..  trans-66.8137.4-175.8-171.50000110.2A392 F413 A414 M420 I422 Q433 I434 Y435A392-V416 HydrophobicContact CB-CG2 4.12Å; F413-V416 HydrophobicContact CB-CG2 3.73Å; A414-V416 VanDerWaalsContact C-N 3.28Å; A414-V416 PolarHBondContact O-N 2.94Å; V416-M420 HydrophobicContact CB-SD 4.43Å; V416-M420 HydrophobicContact CG1-SD 3.82Å; V416-I422 HydrophobicContact CG1-CD1 3.84Å; V416-I422 HydrophobicContact CG1-CG1 4Å; V416-I422 HydrophobicContact CG2-CD1 4.06Å; V416-Q433 HydrophobicContact CB-CB 4.31Å; V416-Q433 HydrophobicContact CG1-CB 4.26Å; V416-Q433 HydrophobicContact CG2-CB 3.86Å; V416-Q433 HydrophobicContact CG2-CG 4.46Å; V416-I434 PolarHBondContact N-O 3.35Å; V416-I434 VanDerWaalsContact N-O 3.16Å; V416-Y435 HydrophobicContact CB-CD1 4.04Å; V416-Y435 HydrophobicContact CB-CD2 4.43Å; V416-Y435 HydrophobicContact CB-CE1 3.76Å; V416-Y435 HydrophobicContact CB-CE2 4.12Å; V416-Y435 HydrophobicContact CB-CG 4.36Å; V416-Y435 HydrophobicContact CG1-CD1 4.26Å; V416-Y435 HydrophobicContact CG1-CE1 3.49Å; V416-Y435 VanDerWaalsContact CG1-CE1 3.49Å; V416-Y435 HydrophobicContact CG1-CE2 4.16Å; V416-Y435 VanDerWaalsContact CG1-CZ 3.41Å; V416-Y435 WeakPolarHBondContact CG1-OH 3.45Å; V416-Y435 WeakPolarHBondContact O-CD1 3.37Å
417Q98Very high97Very high92 Ų9232 Ų3243%0.4315%0.152SC..  trans-112.5148.8-179.7-55.8-57.8-49.200110.7G415 H419 M420G415-Q417 PolarHBondContact O-NE2 3.41Å; Q417-H419 PolarHBondContact O-N 3.16Å; Q417-H419 VanDerWaalsContact O-N 3.07Å; Q417-M420 HydrophobicContact CB-CE 3.8Å; Q417-M420 HydrophobicContact CB-CG 4.23Å; Q417-M420 HydrophobicContact CB-SD 4.08Å; Q417-M420 HydrophobicContact CG-CE 3.67Å; Q417-M420 HydrophobicContact CG-SD 4.49Å; Q417-M420 PolarHBondContact N-SD 3.01Å; Q417-M420 WeakPolarHBondContact O-CB 3.49Å; Q417-M420 WeakPolarHBondContact O-CG 3.38Å; Q417-M420 PolarHBondContact O-N 2.78Å
418D97.4Very high97Very high41 Ų4133.2 Ų33.222%0.21916%0.157CC..THydrogen-bonded Turntrans-66.1-17.2-170.4-52.9-20000113.9R424 R446D418-R424 PolarHBondContact O-NE 3.1Å; D418-R446 IonicContact OD1-CZ 2.78Å; D418-R446 IonicContact OD1-NE 2.78Å; D418-R446 PolarHBondContact OD1-NE 2.85Å; D418-R446 IonicContact OD1-NH2 2.78Å; D418-R446 PolarHBondContact OD1-NH2 2.84Å; D418-R446 WeakPolarHBondContact OD2-CG 3.27Å; D418-R446 IonicContact OD2-CZ 3.73Å; D418-R446 IonicContact OD2-NE 3.94Å; D418-R446 PolarHBondContact OD2-NE 2.82Å; D418-R446 IonicContact OD2-NH2 2.75Å
419H96.3Very high97.1Very high114 Ų11433.3 Ų33.353%0.52816%0.159SC..THydrogen-bonded Turntrans-83.1-15.717869.7-89.3000113.8Q417 R424Q417-H419 PolarHBondContact O-N 3.16Å; Q417-H419 VanDerWaalsContact O-N 3.07Å; H419-R424 PolarHBondContact O-NE 2.82Å
420M98.2Very high97.1Very high5 Ų530.7 Ų30.73%0.02515%0.146CC..SBendtrans-69.8145.8-176.2-62.8168.8174.700111.3E390 A392 V416 Q417 I422 S423 R424E390-M420 HydrophobicContact CB-CB 4.48Å; E390-M420 HydrophobicContact CB-CG 4.01Å; E390-M420 VanDerWaalsContact O-CE 3.29Å; E390-M420 WeakPolarHBondContact O-CE 3.42Å; E390-M420 VanDerWaalsContact OE2-C 3.31Å; E390-M420 WeakPolarHBondContact OE2-CA 3.38Å; E390-M420 VanDerWaalsContact OE2-CB 3.28Å; E390-M420 WeakPolarHBondContact OE2-CB 3.43Å; A392-M420 HydrophobicContact CB-CE 4.25Å; A392-M420 HydrophobicContact CB-SD 3.9Å; V416-M420 HydrophobicContact CB-SD 4.43Å; V416-M420 HydrophobicContact CG1-SD 3.82Å; Q417-M420 HydrophobicContact CB-CE 3.8Å; Q417-M420 HydrophobicContact CB-CG 4.23Å; Q417-M420 HydrophobicContact CB-SD 4.08Å; Q417-M420 HydrophobicContact CG-CE 3.67Å; Q417-M420 HydrophobicContact CG-SD 4.49Å; Q417-M420 PolarHBondContact N-SD 3.01Å; Q417-M420 WeakPolarHBondContact O-CB 3.49Å; Q417-M420 WeakPolarHBondContact O-CG 3.38Å; Q417-M420 PolarHBondContact O-N 2.78Å; M420-I422 VanDerWaalsContact C-N 3.3Å; M420-I422 HydrophobicContact CB-CG1 3.99Å; M420-I422 PolarHBondContact O-N 2.82Å; M420-S423 WeakPolarHBondContact O-CA 3.4Å; M420-S423 WeakPolarHBondContact O-CB 3.44Å; M420-S423 PolarHBondContact O-N 3.41Å; M420-R424 PolarHBondContact O-N 3.16Å
421R97.6Very high97.1Very high70 Ų7030.3 Ų30.326%0.26414%0.144SC..Hα-helixtrans-56.2-43.4175.7-75.3-176.167-158.4-4112.2E382 L383 E390 S423 R424 E425E382-R421 IonicContact OE1-CZ 2.67Å; E382-R421 VanDerWaalsContact OE1-CZ 3.27Å; E382-R421 IonicContact OE1-NH1 2.63Å; E382-R421 PolarHBondContact OE1-NH1 2.83Å; E382-R421 IonicContact OE1-NH2 3.37Å; E382-R421 PolarHBondContact OE1-NH2 3.39Å; L383-R421 HydrophobicContact CD2-CB 4.29Å; E390-R421 WeakPolarHBondContact OE1-CD 3.23Å; E390-R421 WeakPolarHBondContact OE1-CG 3.48Å; E390-R421 PolarHBondContact OE2-N 2.81Å; R421-S423 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact O-N 3.08Å; R421-R424 PolarHBondContact O-N 2.82Å; R421-E425 WeakPolarHBondContact CG-OE1 3.46Å; R421-E425 IonicContact CZ-OE1 3.88Å; R421-E425 IonicContact CZ-OE2 2.83Å; R421-E425 IonicContact NE-OE1 3.24Å; R421-E425 PolarHBondContact NE-OE1 2.83Å; R421-E425 IonicContact NE-OE2 2.81Å; R421-E425 IonicContact NH2-OE1 3.57Å; R421-E425 IonicContact NH2-OE2 2.76Å; R421-E425 PolarHBondContact NH2-OE2 3.07Å; R421-E425 WeakPolarHBondContact O-CB 3.38Å; R421-E425 PolarHBondContact O-N 3.06Å
422I97.4Very high97.1Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-58.8-24.9176.256.4169.9000112.5K288 L383 A392 F413 V416 M420 I427 Q433K288-I422 WeakPolarHBondContact CE-O 3.4Å; K288-I422 PolarHBondContact NZ-O 3.4Å; L383-I422 HydrophobicContact CB-CG2 4.34Å; L383-I422 WeakPolarHBondContact O-CG2 3.17Å; A392-I422 HydrophobicContact CB-CD1 3.8Å; F413-I422 HydrophobicContact CB-CD1 4.37Å; F413-I422 HydrophobicContact CD2-CD1 4.22Å; F413-I422 HydrophobicContact CG-CD1 4.15Å; V416-I422 HydrophobicContact CG1-CD1 3.84Å; V416-I422 HydrophobicContact CG1-CG1 4Å; V416-I422 HydrophobicContact CG2-CD1 4.06Å; M420-I422 VanDerWaalsContact C-N 3.3Å; M420-I422 HydrophobicContact CB-CG1 3.99Å; M420-I422 PolarHBondContact O-N 2.82Å; I422-I427 HydrophobicContact CB-CD1 4.3Å; I422-I427 HydrophobicContact CG2-CD1 4.32Å; I422-Q433 HydrophobicContact CB-CG 4.43Å; I422-Q433 HydrophobicContact CD1-CG 4.26Å; I422-Q433 PolarHBondContact O-OE1 3.25Å
423S97.1Very high97.1Very high5 Ų530.3 Ų30.34%0.03514%0.144CC..Hα-helixtrans-79.4-38.1175-167.50000113K288 M420 R421 Y435K288-S423 WeakPolarHBondContact CE-O 3.39Å; M420-S423 WeakPolarHBondContact O-CA 3.4Å; M420-S423 WeakPolarHBondContact O-CB 3.44Å; M420-S423 PolarHBondContact O-N 3.41Å; R421-S423 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact O-N 3.08Å; S423-Y435 WeakPolarHBondContact CA-OH 2.98Å; S423-Y435 WeakPolarHBondContact CB-OH 3.45Å; S423-Y435 WeakPolarHBondContact OG-CE1 3.26Å; S423-Y435 PolarHBondContact OG-OH 3.05Å
424R96.5Very high97.1Very high142 Ų14230.3 Ų30.354%0.53614%0.144SC..Hα-helixtrans-90.4-34.3-170.9-64.8174.6174.3-173.7-3.6113.8D418 H419 M420 R421D418-R424 PolarHBondContact O-NE 3.1Å; H419-R424 PolarHBondContact O-NE 2.82Å; M420-R424 PolarHBondContact O-N 3.16Å; R421-R424 PolarHBondContact O-N 2.82Å
425E95.8Very high97.1Very high70 Ų7030.1 Ų30.133%0.32714%0.143SC..SBendtrans-99.4136.7-173.7-66173.7-134.400111.1K288 L383 R421 I427K288-E425 WeakPolarHBondContact CE-O 3.2Å; K288-E425 PolarHBondContact NZ-O 2.77Å; L383-E425 HydrophobicContact CD2-CB 4.07Å; R421-E425 WeakPolarHBondContact CG-OE1 3.46Å; R421-E425 IonicContact CZ-OE1 3.88Å; R421-E425 IonicContact CZ-OE2 2.83Å; R421-E425 IonicContact NE-OE1 3.24Å; R421-E425 PolarHBondContact NE-OE1 2.83Å; R421-E425 IonicContact NE-OE2 2.81Å; R421-E425 IonicContact NH2-OE1 3.57Å; R421-E425 IonicContact NH2-OE2 2.76Å; R421-E425 PolarHBondContact NH2-OE2 3.07Å; R421-E425 WeakPolarHBondContact O-CB 3.38Å; R421-E425 PolarHBondContact O-N 3.06Å; E425-I427 PolarHBondContact O-N 3.03Å
426E95.7Very high97.2Very high21 Ų2132.9 Ų32.910%0.09815%0.146CC..  trans-68.3117.2172.7-177.6178.9-138.100110.3G286 G287 K379 F428 Y452G286-E426 WeakPolarHBondContact CA-OE1 3.03Å; G286-E426 WeakPolarHBondContact CA-OE2 3.41Å; G287-E426 PolarHBondContact N-OE1 3.49Å; G287-E426 VanDerWaalsContact O-CG 3.27Å; G287-E426 WeakPolarHBondContact O-CG 3.09Å; K379-E426 WeakPolarHBondContact CE-O 3.09Å; K379-E426 PolarHBondContact NZ-O 2.94Å; E426-F428 HydrophobicContact CG-CB 4.2Å; E426-F428 HydrophobicContact CG-CD2 4.21Å; E426-F428 WeakPolarHBondContact OE1-CD2 3.41Å; E426-Y452 HydrophobicContact CB-CE2 4.48Å
427I94.8Very high97.2Very high6 Ų633 Ų333%0.03115%0.146CC..  trans-78.6-41.3179.2-59.2169.5000110.3Q376 I380 L383 I422 E425 G429 V431Q376-I427 PolarHBondContact NE2-O 2.97Å; Q376-I427 VanDerWaalsContact NE2-O 3.12Å; I380-I427 HydrophobicContact CB-CG2 4.47Å; I380-I427 HydrophobicContact CG1-CG2 4.06Å; I380-I427 HydrophobicContact CG2-CG2 4.31Å; L383-I427 HydrophobicContact CB-CG1 4.15Å; L383-I427 HydrophobicContact CD1-CB 4.18Å; L383-I427 HydrophobicContact CD1-CG1 3.77Å; L383-I427 HydrophobicContact CD1-CG2 4.42Å; I422-I427 HydrophobicContact CB-CD1 4.3Å; I422-I427 HydrophobicContact CG2-CD1 4.32Å; E425-I427 PolarHBondContact O-N 3.03Å; I427-G429 VanDerWaalsContact C-N 3.28Å; I427-G429 PolarHBondContact O-N 3.09Å; I427-V431 HydrophobicContact CD1-CB 3.82Å; I427-V431 HydrophobicContact CD1-CG1 3.82Å; I427-V431 HydrophobicContact CD1-CG2 4.38Å; I427-V431 HydrophobicContact CG2-CB 4.29Å; I427-V431 HydrophobicContact CG2-CG2 3.92Å
428F94.8Very high97.2Very high31 Ų3134.7 Ų34.714%0.13615%0.153CC..  trans55.143.7-176.7-147.8-101.3000112.7W179 N180 G315 Q316 C318 Q376 E426W179-F428 AromaticContact CH2-CD1 3.53Å; W179-F428 HydrophobicContact CH2-CD1 3.53Å; W179-F428 AromaticContact CH2-CE1 3.3Å; W179-F428 HydrophobicContact CH2-CE1 3.3Å; W179-F428 AromaticContact CZ2-CD1 3.77Å; W179-F428 HydrophobicContact CZ2-CD1 3.77Å; W179-F428 AromaticContact CZ2-CE1 3.58Å; W179-F428 HydrophobicContact CZ2-CE1 3.58Å; W179-F428 AromaticContact CZ3-CE1 3.95Å; W179-F428 HydrophobicContact CZ3-CE1 3.95Å; N180-F428 HydrophobicContact CB-CE1 4.09Å; N180-F428 HydrophobicContact CB-CZ 4.11Å; N180-F428 WeakPolarHBondContact ND2-CZ 3.13Å; G315-F428 CarbonylContact O-C 3.54Å; Q316-F428 HydrophobicContact CB-CD1 3.88Å; Q316-F428 HydrophobicContact CB-CE1 3.68Å; Q316-F428 HydrophobicContact CB-CZ 4.45Å; Q316-F428 HydrophobicContact CG-CD1 4.25Å; Q316-F428 HydrophobicContact CG-CE1 4.47Å; C318-F428 HydrophobicContact CB-CE2 4.34Å; Q376-F428 PolarHBondContact NE2-O 3.47Å; E426-F428 HydrophobicContact CG-CB 4.2Å; E426-F428 HydrophobicContact CG-CD2 4.21Å; E426-F428 WeakPolarHBondContact OE1-CD2 3.41Å
429G95.3Very high97.3Very high5 Ų535.9 Ų35.95%0.05216%0.161CC..SBendtrans-156.5179.6-177.900000110.7M314 G315 I427 V431M314-G429 CarbonylContact O-C 3.59Å; G315-G429 PolarHBondContact O-N 2.84Å; I427-G429 VanDerWaalsContact C-N 3.28Å; I427-G429 PolarHBondContact O-N 3.09Å; G429-V431 PolarHBondContact O-N 2.88Å
430P96.3Very high97.3Very high0 Ų032 Ų320%015%0.145CC..SBendtrans-83.165.9-16533.9-33.8000110.7F311 M314 F408 T411F311-P430 HydrophobicContact CD1-CB 3.8Å; F311-P430 HydrophobicContact CE1-CB 4.13Å; F311-P430 WeakPolarHBondContact CE1-O 3.14Å; M314-P430 WeakPolarHBondContact O-CB 3.3Å; M314-P430 VanDerWaalsContact O-CD 3.24Å; M314-P430 WeakPolarHBondContact O-CD 3.46Å; M314-P430 VanDerWaalsContact O-N 3.14Å; F408-P430 HydrophobicContact CB-CG 3.66Å; T411-P430 WeakPolarHBondContact CB-O 3.43Å; T411-P430 PolarHBondContact N-O 2.93Å
431V98.1Very high97.3Very high1 Ų138.2 Ų38.21%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-131.1107-175.2-172.50000110.9I380 I384 T411 F413 I427 G429I380-V431 HydrophobicContact CG2-CG2 4.45Å; I384-V431 HydrophobicContact CD1-CG2 4.02Å; I384-V431 HydrophobicContact CG1-CG2 3.94Å; T411-V431 HydrophobicContact CG2-CG1 4.13Å; T411-V431 HydrophobicContact CG2-CG2 4.46Å; T411-V431 WeakPolarHBondContact O-CA 3.34Å; F413-V431 HydrophobicContact CD2-CG1 3.82Å; F413-V431 HydrophobicContact CE2-CG1 4.13Å; I427-V431 HydrophobicContact CD1-CB 3.82Å; I427-V431 HydrophobicContact CD1-CG1 3.82Å; I427-V431 HydrophobicContact CD1-CG2 4.38Å; I427-V431 HydrophobicContact CG2-CB 4.29Å; I427-V431 HydrophobicContact CG2-CG2 3.92Å; G429-V431 PolarHBondContact O-N 2.88Å
432Q98.5Very high97.4Very high0 Ų037.6 Ų37.60%017%0.173CC..EExtended strand (participates in β ladder)trans-86.4127.5172.3-164.1174.217.500110.3V310 F311 T411 V412 F413 I434V310-Q432 HydrophobicContact CG1-CB 3.86Å; V310-Q432 HydrophobicContact CG1-CG 3.95Å; V310-Q432 HydrophobicContact CG2-CB 4.24Å; F311-Q432 HydrophobicContact CE2-CB 4.46Å; F311-Q432 HydrophobicContact CZ-CB 4.1Å; T411-Q432 PolarHBondContact O-N 3.31Å; V412-Q432 HydrophobicContact CG2-CB 4.32Å; F413-Q432 PolarHBondContact N-O 2.67Å; Q432-I434 HydrophobicContact CG-CG1 4.19Å
433Q98.7Very high97.4Very high0 Ų037.6 Ų37.60%017%0.173CC..EExtended strand (participates in β ladder)trans-110.5122.1174-57.3132.454.900108.4K288 S322 C324 V416 I422 Y435K288-Q433 VanDerWaalsContact CE-OE1 3.24Å; S322-Q433 VanDerWaalsContact O-CB 3.28Å; S322-Q433 WeakPolarHBondContact O-CB 3.44Å; S322-Q433 PolarHBondContact O-N 2.78Å; S322-Q433 PolarHBondContact O-NE2 2.81Å; C324-Q433 PolarHBondContact N-O 3.13Å; V416-Q433 HydrophobicContact CB-CB 4.31Å; V416-Q433 HydrophobicContact CG1-CB 4.26Å; V416-Q433 HydrophobicContact CG2-CB 3.86Å; V416-Q433 HydrophobicContact CG2-CG 4.46Å; I422-Q433 HydrophobicContact CB-CG 4.43Å; I422-Q433 HydrophobicContact CD1-CG 4.26Å; I422-Q433 PolarHBondContact O-OE1 3.25Å; Q433-Y435 HydrophobicContact CB-CD2 4.48Å; Q433-Y435 HydrophobicContact CB-CE2 3.56Å; Q433-Y435 WeakPolarHBondContact O-CD2 3.41Å; Q433-Y435 WeakPolarHBondContact O-CE2 3.12Å; Q433-Y435 PolarHBondContact OE1-OH 3.08Å
434I98.8Very high97.5Very high0 Ų038.7 Ų38.70%018%0.178CC..EExtended strand (participates in β ladder)trans-108.8125.1-177.3-51.7175.5000109.6C324 V326 Y331 F334 V335 A338 V412 F413 G415 V416 Q432C324-I434 HydrophobicContact CB-CG1 4.37Å; C324-I434 CarbonylContact O-C 3.58Å; C324-I434 WeakPolarHBondContact O-CA 3.49Å; V326-I434 HydrophobicContact CB-CG2 4.43Å; V326-I434 HydrophobicContact CG2-CG2 3.77Å; Y331-I434 HydrophobicContact CD2-CG2 4.32Å; Y331-I434 HydrophobicContact CE2-CG2 3.78Å; F334-I434 HydrophobicContact CD1-CD1 4.16Å; F334-I434 HydrophobicContact CD1-CG2 4.4Å; F334-I434 HydrophobicContact CE1-CD1 4.07Å; V335-I434 HydrophobicContact CG2-CB 4.38Å; V335-I434 HydrophobicContact CG2-CD1 4Å; V335-I434 HydrophobicContact CG2-CG2 3.9Å; A338-I434 HydrophobicContact CB-CD1 3.99Å; V412-I434 HydrophobicContact CG1-CD1 3.67Å; V412-I434 HydrophobicContact CG1-CG1 4.35Å; F413-I434 PolarHBondContact O-N 2.76Å; G415-I434 PolarHBondContact N-O 3.24Å; V416-I434 PolarHBondContact N-O 3.35Å; V416-I434 VanDerWaalsContact N-O 3.16Å; Q432-I434 HydrophobicContact CG-CG1 4.19Å
435Y98.7Very high97.6Very high0 Ų037.6 Ų37.60%018%0.179CC..EExtended strand (participates in β ladder)trans-113.3141.5-178.4-56.5-106.9000108.2R323 C324 F325 V326 V416 S423 Q433R323-Y435 HydrophobicContact CB-CD2 4.43Å; R323-Y435 HydrophobicContact CB-CE2 3.83Å; R323-Y435 HydrophobicContact CG-CE2 3.94Å; C324-Y435 PolarHBondContact O-N 3.31Å; F325-Y435 HydrophobicContact CD1-CD2 4.49Å; F325-Y435 AromaticContact CD1-CG 3.98Å; F325-Y435 HydrophobicContact CD1-CG 3.98Å; F325-Y435 AromaticContact CE1-CD1 3.97Å; F325-Y435 HydrophobicContact CE1-CD1 3.97Å; F325-Y435 HydrophobicContact CE1-CD2 4.34Å; F325-Y435 AromaticContact CE1-CG 3.78Å; F325-Y435 HydrophobicContact CE1-CG 3.78Å; F325-Y435 HydrophobicContact CZ-CD1 4.4Å; F325-Y435 HydrophobicContact CZ-CD2 4.44Å; F325-Y435 HydrophobicContact CZ-CG 4.26Å; V326-Y435 PolarHBondContact N-O 3.26Å; V416-Y435 HydrophobicContact CB-CD1 4.04Å; V416-Y435 HydrophobicContact CB-CD2 4.43Å; V416-Y435 HydrophobicContact CB-CE1 3.76Å; V416-Y435 HydrophobicContact CB-CE2 4.12Å; V416-Y435 HydrophobicContact CB-CG 4.36Å; V416-Y435 HydrophobicContact CG1-CD1 4.26Å; V416-Y435 HydrophobicContact CG1-CE1 3.49Å; V416-Y435 VanDerWaalsContact CG1-CE1 3.49Å; V416-Y435 HydrophobicContact CG1-CE2 4.16Å; V416-Y435 VanDerWaalsContact CG1-CZ 3.41Å; V416-Y435 WeakPolarHBondContact CG1-OH 3.45Å; V416-Y435 WeakPolarHBondContact O-CD1 3.37Å; S423-Y435 WeakPolarHBondContact CA-OH 2.98Å; S423-Y435 WeakPolarHBondContact CB-OH 3.45Å; S423-Y435 WeakPolarHBondContact OG-CE1 3.26Å; S423-Y435 PolarHBondContact OG-OH 3.05Å; Q433-Y435 HydrophobicContact CB-CD2 4.48Å; Q433-Y435 HydrophobicContact CB-CE2 3.56Å; Q433-Y435 WeakPolarHBondContact O-CD2 3.41Å; Q433-Y435 WeakPolarHBondContact O-CE2 3.12Å; Q433-Y435 PolarHBondContact OE1-OH 3.08Å
436K98.6Very high97.7Very high88 Ų8835.4 Ų35.438%0.38317%0.168SC..EExtended strand (participates in β ladder)trans-92.9138.9171.5-170.5173.9-68.5-169.20109.2V326 E328 Y331 D332 R446V326-K436 WeakPolarHBondContact O-CA 3.46Å; E328-K436 HydrophobicContact CB-CD 4.12Å; E328-K436 HydrophobicContact CB-CG 4.06Å; Y331-K436 HydrophobicContact CD1-CD 4.46Å; Y331-K436 HydrophobicContact CD2-CB 3.57Å; Y331-K436 HydrophobicContact CD2-CD 4.45Å; Y331-K436 HydrophobicContact CD2-CG 3.87Å; Y331-K436 HydrophobicContact CE2-CB 3.62Å; Y331-K436 HydrophobicContact CE2-CG 4.38Å; Y331-K436 HydrophobicContact CG-CB 4.21Å; Y331-K436 HydrophobicContact CG-CD 4.24Å; Y331-K436 HydrophobicContact CG-CG 4.07Å; D332-K436 IonicContact OD1-NZ 3.62Å; K436-R446 PolarHBondContact O-NH1 3.04Å
437F98.6Very high97.8Very high1 Ų134.5 Ų34.50%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-136.1159.4169.675-92.6000110.8I292 F325 V326 Q327 E328 T439 L440 A443I292-F437 HydrophobicContact CG2-CE1 4Å; I292-F437 HydrophobicContact CG2-CZ 3.89Å; F325-F437 HydrophobicContact CB-CD1 3.79Å; F325-F437 HydrophobicContact CB-CE1 4.12Å; F325-F437 WeakPolarHBondContact O-CE1 3.24Å; V326-F437 WeakPolarHBondContact O-CD1 3.27Å; V326-F437 PolarHBondContact O-N 3.38Å; V326-F437 VanDerWaalsContact O-N 3.1Å; Q327-F437 WeakPolarHBondContact CA-O 3.43Å; Q327-F437 HydrophobicContact CB-CE1 3.98Å; Q327-F437 HydrophobicContact CB-CE2 3.89Å; Q327-F437 HydrophobicContact CB-CZ 3.57Å; Q327-F437 HydrophobicContact CG-CD2 4.1Å; Q327-F437 HydrophobicContact CG-CE2 3.53Å; Q327-F437 HydrophobicContact CG-CZ 3.78Å; E328-F437 PolarHBondContact N-O 3.45Å; F437-T439 VanDerWaalsContact CD2-O 3.23Å; F437-T439 WeakPolarHBondContact CD2-O 3.04Å; F437-L440 HydrophobicContact CE2-CD2 4.2Å; F437-L440 HydrophobicContact CZ-CD2 4.46Å; F437-A443 HydrophobicContact CB-CB 4.31Å; F437-A443 HydrophobicContact CD1-CB 4.14Å; F437-A443 HydrophobicContact CD2-CB 3.69Å; F437-A443 HydrophobicContact CE1-CB 4.34Å; F437-A443 HydrophobicContact CE2-CB 3.9Å; F437-A443 HydrophobicContact CG-CB 3.8Å; F437-A443 HydrophobicContact CZ-CB 4.22Å
438K98.5Very high98Very high129 Ų12935.5 Ų35.556%0.56117%0.17SC*.SBendtrans-104.8-47.2179-56.7-162.4175.4-171.80113.2E328 E442E328-K438 WeakPolarHBondContact OE2-CD 3.48Å; E328-K438 WeakPolarHBondContact OE2-CE 3.49Å; E328-K438 WeakPolarHBondContact OE2-CG 3.4Å; E328-K438 IonicContact OE2-NZ 2.81Å; K438-E442 PolarHBondContact N-OE2 2.92Å
439T98.3Very high98.1Very high66 Ų6642.5 Ų42.541%0.40520%0.195SC..SBendtrans-119.2157.2-177.287.10000111.4F437 E441 E442 A443F437-T439 VanDerWaalsContact CD2-O 3.23Å; F437-T439 WeakPolarHBondContact CD2-O 3.04Å; T439-E441 VanDerWaalsContact C-N 3.26Å; T439-E441 WeakPolarHBondContact CB-OE2 3.39Å; T439-E441 PolarHBondContact O-N 2.76Å; T439-E441 PolarHBondContact OG1-OE2 3.12Å; T439-E442 WeakPolarHBondContact O-CB 3.4Å; T439-E442 PolarHBondContact O-N 2.84Å; T439-E442 PolarHBondContact OG1-N 3.34Å; T439-A443 PolarHBondContact O-N 3.02Å
440L98Very high98.1Very high33 Ų3343.4 Ų43.417%0.17320%0.2CC..Hα-helixtrans-66.9-32.2178.7-72.5177.2000111.9F437 E442 A443 I444 K465 V469F437-L440 HydrophobicContact CE2-CD2 4.2Å; F437-L440 HydrophobicContact CZ-CD2 4.46Å; L440-E442 VanDerWaalsContact C-N 3.34Å; L440-A443 PolarHBondContact O-N 2.87Å; L440-I444 WeakPolarHBondContact O-CB 3.41Å; L440-I444 WeakPolarHBondContact O-CD1 3.36Å; L440-I444 VanDerWaalsContact O-CG1 3.23Å; L440-I444 WeakPolarHBondContact O-CG1 3.13Å; L440-I444 PolarHBondContact O-N 3.15Å; L440-K465 HydrophobicContact CD1-CB 4.1Å; L440-K465 HydrophobicContact CD1-CD 3.87Å; L440-K465 HydrophobicContact CD1-CG 3.7Å; L440-V469 HydrophobicContact CD1-CG2 4.2Å; L440-V469 HydrophobicContact CD2-CG2 4.17Å
441E98.2Very high98.1Very high134 Ų13447 Ų4763%0.62622%0.216SC*.Hα-helixtrans-60.8-46.6175.8-58.972.7-156.900110.3T439 I444 E445T439-E441 VanDerWaalsContact C-N 3.26Å; T439-E441 WeakPolarHBondContact CB-OE2 3.39Å; T439-E441 PolarHBondContact O-N 2.76Å; T439-E441 PolarHBondContact OG1-OE2 3.12Å; E441-I444 PolarHBondContact O-N 3.42Å; E441-E445 WeakPolarHBondContact O-CB 3.49Å; E441-E445 PolarHBondContact O-N 3.01Å
442E98.1Very high98.1Very high57 Ų5748.1 Ų48.127%0.26622%0.221SC..Hα-helixtrans-60.4-45.7174.2-170.7-150.1146.800111.1K438 T439 L440 I444 E445 R446K438-E442 PolarHBondContact N-OE2 2.92Å; T439-E442 WeakPolarHBondContact O-CB 3.4Å; T439-E442 PolarHBondContact O-N 2.84Å; T439-E442 PolarHBondContact OG1-N 3.34Å; L440-E442 VanDerWaalsContact C-N 3.34Å; E442-I444 PolarHBondContact O-N 3.25Å; E442-E445 PolarHBondContact O-N 2.96Å; E442-R446 HydrophobicContact CG-CG 4.48Å; E442-R446 WeakPolarHBondContact O-CB 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.48Å; E442-R446 PolarHBondContact O-N 2.87Å; E442-R446 WeakPolarHBondContact OE1-CD 3.44Å; E442-R446 IonicContact OE1-CZ 2.81Å; E442-R446 IonicContact OE1-NE 3Å; E442-R446 IonicContact OE1-NH1 3.55Å; E442-R446 PolarHBondContact OE1-NH1 3.09Å
443A98.4Very high98.1Very high0 Ų048.4 Ų48.40%022%0.223CC..Hα-helixtrans-62-42.9179.800000112.3I292 F437 T439 L440 A447I292-A443 HydrophobicContact CD1-CB 4.24Å; I292-A443 HydrophobicContact CG2-CB 4.34Å; F437-A443 HydrophobicContact CB-CB 4.31Å; F437-A443 HydrophobicContact CD1-CB 4.14Å; F437-A443 HydrophobicContact CD2-CB 3.69Å; F437-A443 HydrophobicContact CE1-CB 4.34Å; F437-A443 HydrophobicContact CE2-CB 3.9Å; F437-A443 HydrophobicContact CG-CB 3.8Å; F437-A443 HydrophobicContact CZ-CB 4.22Å; T439-A443 PolarHBondContact O-N 3.02Å; L440-A443 PolarHBondContact O-N 2.87Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 2.7Å
444I98.6Very high98Very high28 Ų2848.4 Ų48.414%0.14422%0.224CC..Hα-helixtrans-64.4-48.8177.3-69.2161.1000110.3L440 E441 E442 R446 A447 N448 V469 A472L440-I444 WeakPolarHBondContact O-CB 3.41Å; L440-I444 WeakPolarHBondContact O-CD1 3.36Å; L440-I444 VanDerWaalsContact O-CG1 3.23Å; L440-I444 WeakPolarHBondContact O-CG1 3.13Å; L440-I444 PolarHBondContact O-N 3.15Å; E441-I444 PolarHBondContact O-N 3.42Å; E442-I444 PolarHBondContact O-N 3.25Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 2.79Å; I444-A447 PolarHBondContact O-N 3.3Å; I444-N448 WeakPolarHBondContact O-CB 3.33Å; I444-N448 PolarHBondContact O-N 3.22Å; I444-V469 HydrophobicContact CD1-CG2 4.04Å; I444-V469 HydrophobicContact CG1-CG1 4.19Å; I444-V469 HydrophobicContact CG1-CG2 4.35Å; I444-A472 HydrophobicContact CD1-CB 3.93Å; I444-A472 HydrophobicContact CG1-CB 4.38Å; I444-A472 HydrophobicContact CG2-CB 3.84Å
445E98.4Very high98Very high119 Ų11948.5 Ų48.556%0.55622%0.224SC*.Hα-helixtrans-56.2-50.1179.3-174.6-171.5160.200110.5E441 E442 N448 R449E441-E445 WeakPolarHBondContact O-CB 3.49Å; E441-E445 PolarHBondContact O-N 3.01Å; E442-E445 PolarHBondContact O-N 2.96Å; E445-N448 PolarHBondContact O-N 3.25Å; E445-R449 WeakPolarHBondContact O-CB 3.35Å; E445-R449 PolarHBondContact O-N 3.28Å
446R98.2Very high98Very high24 Ų2448.5 Ų48.59%0.09122%0.224CC..Hα-helixtrans-69.3-37.3-178.6-65.1174.465.1-162.3-7.1112.6R323 F325 D418 K436 E442 I444 N448 R449R323-R446 PolarHBondContact NH1-O 3.37Å; F325-R446 HydrophobicContact CE1-CB 3.81Å; F325-R446 HydrophobicContact CZ-CB 4.19Å; D418-R446 IonicContact OD1-CZ 2.78Å; D418-R446 IonicContact OD1-NE 2.78Å; D418-R446 PolarHBondContact OD1-NE 2.85Å; D418-R446 IonicContact OD1-NH2 2.78Å; D418-R446 PolarHBondContact OD1-NH2 2.84Å; D418-R446 WeakPolarHBondContact OD2-CG 3.27Å; D418-R446 IonicContact OD2-CZ 3.73Å; D418-R446 IonicContact OD2-NE 3.94Å; D418-R446 PolarHBondContact OD2-NE 2.82Å; D418-R446 IonicContact OD2-NH2 2.75Å; K436-R446 PolarHBondContact O-NH1 3.04Å; E442-R446 HydrophobicContact CG-CG 4.48Å; E442-R446 WeakPolarHBondContact O-CB 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.48Å; E442-R446 PolarHBondContact O-N 2.87Å; E442-R446 WeakPolarHBondContact OE1-CD 3.44Å; E442-R446 IonicContact OE1-CZ 2.81Å; E442-R446 IonicContact OE1-NE 3Å; E442-R446 IonicContact OE1-NH1 3.55Å; E442-R446 PolarHBondContact OE1-NH1 3.09Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 2.79Å; R446-N448 VanDerWaalsContact C-N 3.32Å; R446-N448 PolarHBondContact O-N 3.44Å; R446-R449 PolarHBondContact O-N 2.89Å
447A98.2Very high98Very high2 Ų244.3 Ų44.32%0.01721%0.206CC..Hα-helixtrans-60-43.6174.100000111.5P290 I292 R323 F325 A443 I444 L473P290-A447 HydrophobicContact CB-CB 3.62Å; P290-A447 HydrophobicContact CG-CB 3.81Å; I292-A447 HydrophobicContact CD1-CB 4.23Å; R323-A447 PolarHBondContact NH1-O 2.95Å; R323-A447 PolarHBondContact NH2-O 3.23Å; F325-A447 HydrophobicContact CE2-CB 4.44Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 2.7Å; I444-A447 PolarHBondContact O-N 3.3Å; A447-L473 HydrophobicContact CB-CD2 3.62Å
448N98Very high98Very high27 Ų2744.2 Ų44.214%0.14421%0.206CC..Hα-helixtrans-77.9-18.8180-72.4-17.5000113.6I444 E445 R446 T450 A472 E474 K496I444-N448 WeakPolarHBondContact O-CB 3.33Å; I444-N448 PolarHBondContact O-N 3.22Å; E445-N448 PolarHBondContact O-N 3.25Å; R446-N448 VanDerWaalsContact C-N 3.32Å; R446-N448 PolarHBondContact O-N 3.44Å; N448-T450 PolarHBondContact O-N 2.9Å; N448-A472 PolarHBondContact ND2-O 2.97Å; N448-E474 PolarHBondContact OD1-N 3.49Å; N448-K496 PolarHBondContact O-NZ 3.39Å
449R96.9Very high98Very high178 Ų17838.2 Ų38.267%0.67218%0.179SC*.  trans-72.363.4178.3-160.8178.3-155159.39.8113E445 R446E445-R449 WeakPolarHBondContact O-CB 3.35Å; E445-R449 PolarHBondContact O-N 3.28Å; R446-R449 PolarHBondContact O-N 2.89Å
450T96.3Very high98.1Very high25 Ų2535.1 Ų35.115%0.15316%0.161CC..SBendtrans-154.8155177179.50000109.5N448 Y452 K496N448-T450 PolarHBondContact O-N 2.9Å; T450-Y452 VanDerWaalsContact CG2-O 3.24Å; T450-Y452 WeakPolarHBondContact CG2-O 3.13Å; T450-Y452 WeakPolarHBondContact OG1-CD2 3.45Å; T450-Y452 PolarHBondContact OG1-N 3.47Å; T450-K496 WeakPolarHBondContact O-CD 3.43Å; T450-K496 PolarHBondContact O-NZ 2.92Å
451H96.2Very high98.1Very high74 Ų7441 Ų4134%0.34318%0.184SC..SBendtrans-77.2-9.3170.457.7-82.6000113.2K496 Q497H451-K496 WeakPolarHBondContact O-CB 3.35Å; H451-Q497 HydrophobicContact CB-CB 4.48Å; H451-Q497 HydrophobicContact CB-CG 4.25Å; H451-Q497 WeakPolarHBondContact O-CB 3.26Å; H451-Q497 PolarHBondContact O-N 2.72Å
452Y97.7Very high98.1Very high26 Ų2637.3 Ų37.310%0.10217%0.169CC..  trans-87155.8175-61-70.4000112.1G286 K288 E426 T450 S498G286-Y452 VanDerWaalsContact O-CD1 3.27Å; G286-Y452 WeakPolarHBondContact O-CD1 3.37Å; K288-Y452 HydrophobicContact CB-CD2 3.38Å; K288-Y452 HydrophobicContact CB-CE2 3.92Å; K288-Y452 HydrophobicContact CB-CG 4.02Å; K288-Y452 HydrophobicContact CG-CD2 4.46Å; E426-Y452 HydrophobicContact CB-CE2 4.48Å; T450-Y452 VanDerWaalsContact CG2-O 3.24Å; T450-Y452 WeakPolarHBondContact CG2-O 3.13Å; T450-Y452 WeakPolarHBondContact OG1-CD2 3.45Å; T450-Y452 PolarHBondContact OG1-N 3.47Å; Y452-S498 WeakPolarHBondContact CA-OG 3.33Å
453G97.9Very high98.1Very high5 Ų539 Ų395%0.05218%0.184CC..  trans-16135.1179.700000112.8E474 A475 G476 G494 Y495 S498G453-E474 WeakPolarHBondContact CA-O 3.49Å; G453-A475 WeakPolarHBondContact O-CA 3.39Å; G453-G476 PolarHBondContact O-N 3.43Å; G453-G494 CarbonylContact O-C 3.49Å; G453-G494 WeakPolarHBondContact O-CA 3.46Å; G453-Y495 PolarHBondContact O-N 3.15Å; G453-S498 PolarHBondContact N-OG 3.34Å
454L98.3Very high98.1Very high1 Ų144.5 Ų44.51%0.00521%0.213CC..SBendtrans-75.2-63.9-176.7-172.759.2000112.2E284 C318 T319 G476 T477 F492 S498E284-L454 WeakPolarHBondContact OE2-CD1 3.42Å; C318-L454 HydrophobicContact CB-CD2 3.55Å; T319-L454 HydrophobicContact CG2-CD2 3.72Å; T319-L454 HydrophobicContact CG2-CG 3.98Å; L454-G476 PolarHBondContact O-N 3.45Å; L454-T477 PolarHBondContact O-N 2.82Å; L454-T477 VanDerWaalsContact O-N 3.12Å; L454-F492 HydrophobicContact CD1-CE1 3.97Å; L454-F492 HydrophobicContact CD1-CZ 3.93Å; L454-F492 HydrophobicContact CD2-CZ 4.18Å; L454-F492 HydrophobicContact CG-CZ 4.09Å; L454-S498 PolarHBondContact N-OG 2.92Å
455A98.4Very high98.1Very high1 Ų145.8 Ų45.81%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-137.1161.7-179.400000112S289 P290 T319 T477 W479S289-A455 VanDerWaalsContact CA-O 3.31Å; S289-A455 WeakPolarHBondContact CA-O 3.15Å; S289-A455 WeakPolarHBondContact CB-O 3.29Å; S289-A455 PolarHBondContact OG-O 3.47Å; P290-A455 WeakPolarHBondContact CD-O 3.26Å; T319-A455 HydrophobicContact CG2-CB 3.72Å; A455-T477 CarbonylContact C-O 3.57Å; A455-T477 WeakPolarHBondContact CA-O 3.45Å; A455-W479 HydrophobicContact CB-CE3 4.46Å; A455-W479 HydrophobicContact CB-CH2 3.84Å; A455-W479 HydrophobicContact CB-CZ3 3.67Å
456A98.6Very high98.1Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-148.5168.3171.300000110.7P290 L473 A475 T477 V478 W479P290-A456 HydrophobicContact CG-CB 3.7Å; P290-A456 CarbonylContact O-C 3.51Å; P290-A456 VanDerWaalsContact O-CA 3.29Å; P290-A456 WeakPolarHBondContact O-CA 3.29Å; A456-L473 HydrophobicContact CB-CB 4.42Å; A456-L473 HydrophobicContact CB-CD1 3.84Å; A456-L473 HydrophobicContact CB-CD2 4.48Å; A456-L473 HydrophobicContact CB-CG 4.49Å; A456-A475 HydrophobicContact CB-CB 3.9Å; A456-T477 PolarHBondContact N-O 3.05Å; A456-V478 HydrophobicContact CB-CG1 4.47Å; A456-V478 HydrophobicContact CB-CG2 4.35Å; A456-V478 WeakPolarHBondContact O-CA 3.45Å; A456-W479 PolarHBondContact O-N 3.44Å
457A98.7Very high98.1Very high0 Ų044.3 Ų44.30%022%0.215CC..EExtended strand (participates in β ladder)trans-146.7159.9166.600000113.6P290 I292 F459 W479 Y483P290-A457 PolarHBondContact O-N 3.34Å; I292-A457 PolarHBondContact N-O 3.31Å; A457-F459 HydrophobicContact CB-CE2 4.11Å; A457-W479 CarbonylContact C-O 3.5Å; A457-W479 WeakPolarHBondContact CA-O 3.46Å; A457-W479 HydrophobicContact CB-CB 3.97Å; A457-W479 HydrophobicContact CB-CE3 4.46Å; A457-W479 WeakPolarHBondContact CB-O 3.08Å; A457-Y483 HydrophobicContact CB-CD2 3.4Å; A457-Y483 VanDerWaalsContact CB-CD2 3.4Å; A457-Y483 HydrophobicContact CB-CE2 3.26Å
458I98.8Very high98.1Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-133.3140.5169.9178.1167.3000111.1I292 T460 V469 W479 V480 N481I292-I458 CarbonylContact O-C 3.45Å; I292-I458 VanDerWaalsContact O-CA 3.3Å; I292-I458 WeakPolarHBondContact O-CA 3.29Å; I458-T460 HydrophobicContact CD1-CG2 3.97Å; I458-T460 HydrophobicContact CG1-CG2 4.02Å; I458-V469 HydrophobicContact CB-CG1 4.25Å; I458-V469 HydrophobicContact CD1-CB 3.5Å; I458-V469 VanDerWaalsContact CD1-CB 3.5Å; I458-V469 HydrophobicContact CD1-CG1 3.69Å; I458-V469 HydrophobicContact CD1-CG2 3.59Å; I458-V469 HydrophobicContact CG1-CG1 4.49Å; I458-W479 PolarHBondContact N-O 2.97Å; I458-V480 HydrophobicContact CG2-CB 4.45Å; I458-V480 HydrophobicContact CG2-CG1 4.42Å; I458-V480 HydrophobicContact CG2-CG2 3.91Å; I458-V480 CarbonylContact O-C 3.54Å; I458-V480 WeakPolarHBondContact O-CA 3.3Å; I458-N481 PolarHBondContact O-N 2.88Å
459F98.9Very high98.1Very high2 Ų246.7 Ų46.71%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-117.8117.5172.8-68.2-101.4000110.1N291 I292 I293 C294 C297 A302 T305 A457 N481 Y483N291-F459 WeakPolarHBondContact OD1-CD2 3.33Å; N291-F459 WeakPolarHBondContact OD1-CE2 3.47Å; I292-F459 PolarHBondContact O-N 3.4Å; I293-F459 HydrophobicContact CD1-CB 4.11Å; I293-F459 HydrophobicContact CD1-CD2 3.45Å; I293-F459 VanDerWaalsContact CD1-CD2 3.45Å; I293-F459 HydrophobicContact CD1-CE2 4.16Å; I293-F459 HydrophobicContact CD1-CG 3.94Å; C294-F459 VanDerWaalsContact CB-O 3.26Å; C294-F459 WeakPolarHBondContact CB-O 3.18Å; C294-F459 PolarHBondContact N-O 2.86Å; C294-F459 PolarHBondContact SG-O 2.95Å; C297-F459 HydrophobicContact CB-CB 3.99Å; C297-F459 WeakPolarHBondContact CB-O 3.39Å; A302-F459 HydrophobicContact CB-CB 4.18Å; A302-F459 HydrophobicContact CB-CD1 3.99Å; A302-F459 HydrophobicContact CB-CG 4.15Å; T305-F459 HydrophobicContact CG2-CE1 3.78Å; T305-F459 HydrophobicContact CG2-CZ 3.5Å; A457-F459 HydrophobicContact CB-CE2 4.11Å; F459-N481 VanDerWaalsContact CA-OD1 3.29Å; F459-N481 WeakPolarHBondContact CA-OD1 3.45Å; F459-Y483 HydrophobicContact CE2-CD2 4.29Å
460T98.8Very high98.2Very high2 Ų239.6 Ų39.61%0.01221%0.212CC..  trans-163.7152.5-177-179.60000110D296 I458 D462 K465 A466 N481D296-T460 PolarHBondContact OD1-OG1 2.83Å; D296-T460 PolarHBondContact OD2-OG1 2.79Å; I458-T460 HydrophobicContact CD1-CG2 3.97Å; I458-T460 HydrophobicContact CG1-CG2 4.02Å; T460-D462 WeakPolarHBondContact CG2-O 3.47Å; T460-D462 PolarHBondContact OG1-N 3.12Å; T460-D462 VanDerWaalsContact OG1-N 3.13Å; T460-K465 HydrophobicContact CG2-CB 4.1Å; T460-A466 HydrophobicContact CG2-CB 3.86Å; T460-N481 PolarHBondContact N-OD1 3.43Å; T460-N481 PolarHBondContact O-ND2 3.37Å; T460-N481 PolarHBondContact O-OD1 3.43Å; T460-N481 VanDerWaalsContact O-OD1 3.09Å
461K98.5Very high98.2Very high155 Ų15543 Ų4367%0.67424%0.237SC*.SBendtrans-91-13.2170.1-69.8179.1-174167.40112.3D296D296-K461 VanDerWaalsContact O-CD 3.23Å; D296-K461 WeakPolarHBondContact O-CD 3.38Å; D296-K461 VanDerWaalsContact O-CG 3.25Å; D296-K461 WeakPolarHBondContact O-CG 3.21Å; D296-K461 PolarHBondContact OD2-N 2.97Å
462D98.5Very high98.3Very high57 Ų5741.4 Ų41.431%0.30524%0.237SC..  trans-88.2114.6179-172.8-17.1000111.5D296 T460 N464 K465 A466D296-D462 PolarHBondContact OD2-N 3.36Å; T460-D462 WeakPolarHBondContact CG2-O 3.47Å; T460-D462 PolarHBondContact OG1-N 3.12Å; T460-D462 VanDerWaalsContact OG1-N 3.13Å; D462-N464 PolarHBondContact O-N 3.27Å; D462-N464 VanDerWaalsContact OD1-CB 3.29Å; D462-N464 WeakPolarHBondContact OD1-CB 3.4Å; D462-N464 PolarHBondContact OD1-N 3.45Å; D462-N464 PolarHBondContact OD1-ND2 3.16Å; D462-N464 VanDerWaalsContact OD1-ND2 3.08Å; D462-K465 HydrophobicContact CB-CB 4.09Å; D462-K465 HydrophobicContact CB-CD 3.84Å; D462-K465 HydrophobicContact CB-CG 3.84Å; D462-K465 PolarHBondContact O-N 3.4Å; D462-A466 PolarHBondContact O-N 3.09Å
463V98.1Very high98.4Very high94 Ų9440.6 Ų40.657%0.5723%0.234SC*.Hα-helixtrans-62.8-29.9178.869.90000112.7A466 I467V463-A466 PolarHBondContact O-N 3.37Å; V463-I467 HydrophobicContact CG2-CD1 3.92Å; V463-I467 HydrophobicContact CG2-CG1 4.38Å; V463-I467 WeakPolarHBondContact O-CG1 3.49Å; V463-I467 PolarHBondContact O-N 3.17Å
464N98.2Very high98.4Very high114 Ų11444.7 Ų44.761%0.6125%0.252SS*.Hα-helixtrans-69.4-43.7177.7-57.4-70.1000110.4D462 A466 C468D462-N464 PolarHBondContact O-N 3.27Å; D462-N464 VanDerWaalsContact OD1-CB 3.29Å; D462-N464 WeakPolarHBondContact OD1-CB 3.4Å; D462-N464 PolarHBondContact OD1-N 3.45Å; D462-N464 PolarHBondContact OD1-ND2 3.16Å; D462-N464 VanDerWaalsContact OD1-ND2 3.08Å; N464-A466 VanDerWaalsContact C-N 3.34Å; N464-C468 WeakPolarHBondContact O-CB 3.48Å; N464-C468 PolarHBondContact O-N 3.1Å
465K98.4Very high98.4Very high55 Ų5545.1 Ų45.124%0.23926%0.255CS..Hα-helixtrans-60.7-45.5173.2-65.6-178.9-172.6-177.90110.8D296 L440 T460 D462 C468 V469D296-K465 IonicContact OD1-NZ 2.95Å; D296-K465 PolarHBondContact OD1-NZ 2.7Å; L440-K465 HydrophobicContact CD1-CB 4.1Å; L440-K465 HydrophobicContact CD1-CD 3.87Å; L440-K465 HydrophobicContact CD1-CG 3.7Å; T460-K465 HydrophobicContact CG2-CB 4.1Å; D462-K465 HydrophobicContact CB-CB 4.09Å; D462-K465 HydrophobicContact CB-CD 3.84Å; D462-K465 HydrophobicContact CB-CG 3.84Å; D462-K465 PolarHBondContact O-N 3.4Å; K465-C468 PolarHBondContact O-N 3.11Å; K465-V469 VanDerWaalsContact O-CB 3.31Å; K465-V469 WeakPolarHBondContact O-CB 3.5Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.41Å; K465-V469 PolarHBondContact O-N 3.09Å
466A98.5Very high98.3Very high9 Ų946.1 Ų46.17%0.07427%0.266CS..Hα-helixtrans-57.6-51.6179.200000112.1T460 D462 V463 N464 A470 V480T460-A466 HydrophobicContact CG2-CB 3.86Å; D462-A466 PolarHBondContact O-N 3.09Å; V463-A466 PolarHBondContact O-N 3.37Å; N464-A466 VanDerWaalsContact C-N 3.34Å; A466-A470 WeakPolarHBondContact O-CB 3.19Å; A466-A470 PolarHBondContact O-N 2.93Å; A466-V480 HydrophobicContact CB-CG1 3.7Å; A466-V480 HydrophobicContact CB-CG2 4.5Å
467I98.3Very high98.3Very high104 Ų10447.3 Ų47.353%0.53327%0.273SS..Hα-helixtrans-65.8-46.4-179.5-67.7169.2000110.9V463 S471V463-I467 HydrophobicContact CG2-CD1 3.92Å; V463-I467 HydrophobicContact CG2-CG1 4.38Å; V463-I467 WeakPolarHBondContact O-CG1 3.49Å; V463-I467 PolarHBondContact O-N 3.17Å; I467-S471 VanDerWaalsContact O-CB 3.29Å; I467-S471 WeakPolarHBondContact O-CB 3.2Å; I467-S471 PolarHBondContact O-N 3.22Å; I467-S471 PolarHBondContact O-OG 3.46Å
468C98Very high98.3Very high79 Ų7949.3 Ų49.353%0.53429%0.285SS..Hα-helixtrans-60.8-52.3-178.3-176.90000111.2N464 K465 S471 A472N464-C468 WeakPolarHBondContact O-CB 3.48Å; N464-C468 PolarHBondContact O-N 3.1Å; K465-C468 PolarHBondContact O-N 3.11Å; C468-S471 PolarHBondContact O-N 3.49Å; C468-A472 WeakPolarHBondContact O-CB 3.43Å; C468-A472 PolarHBondContact O-N 3.25Å
469V98.4Very high98.3Very high0 Ų049.9 Ų49.90%029%0.288CS..Hα-helixtrans-68-42.9-178.6176.30000110.9I292 L440 I444 I458 K465 S471 A472 L473I292-V469 HydrophobicContact CD1-CG1 3.93Å; L440-V469 HydrophobicContact CD1-CG2 4.2Å; L440-V469 HydrophobicContact CD2-CG2 4.17Å; I444-V469 HydrophobicContact CD1-CG2 4.04Å; I444-V469 HydrophobicContact CG1-CG1 4.19Å; I444-V469 HydrophobicContact CG1-CG2 4.35Å; I458-V469 HydrophobicContact CB-CG1 4.25Å; I458-V469 HydrophobicContact CD1-CB 3.5Å; I458-V469 VanDerWaalsContact CD1-CB 3.5Å; I458-V469 HydrophobicContact CD1-CG1 3.69Å; I458-V469 HydrophobicContact CD1-CG2 3.59Å; I458-V469 HydrophobicContact CG1-CG1 4.49Å; K465-V469 VanDerWaalsContact O-CB 3.31Å; K465-V469 WeakPolarHBondContact O-CB 3.5Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.41Å; K465-V469 PolarHBondContact O-N 3.09Å; V469-S471 PolarHBondContact O-N 3.2Å; V469-A472 PolarHBondContact O-N 2.81Å; V469-A472 VanDerWaalsContact O-N 3.11Å; V469-L473 HydrophobicContact CG1-CD1 3.65Å; V469-L473 HydrophobicContact CG1-CG 3.98Å; V469-L473 VanDerWaalsContact O-CG 3.26Å; V469-L473 WeakPolarHBondContact O-CG 3.41Å; V469-L473 PolarHBondContact O-N 3.01Å
470A98.2Very high98.3Very high28 Ų2852.5 Ų52.523%0.23130%0.303CS..Hα-helixtrans-62.2-33.417800000112.7A466 V478 V480A466-A470 WeakPolarHBondContact O-CB 3.19Å; A466-A470 PolarHBondContact O-N 2.93Å; A470-V478 HydrophobicContact CB-CB 4.44Å; A470-V478 HydrophobicContact CB-CG1 3.93Å; A470-V480 HydrophobicContact CB-CG2 4.34Å
471S98Very high98.2Very high97 Ų9755.4 Ų55.468%0.67832%0.319SS*.Hα-helixtrans-74.4-30.2175.7-55.70000112.9I467 C468 V469I467-S471 VanDerWaalsContact O-CB 3.29Å; I467-S471 WeakPolarHBondContact O-CB 3.2Å; I467-S471 PolarHBondContact O-N 3.22Å; I467-S471 PolarHBondContact O-OG 3.46Å; C468-S471 PolarHBondContact O-N 3.49Å; V469-S471 PolarHBondContact O-N 3.2Å
472A98.3Very high98.2Very high40 Ų4050 Ų5033%0.33130%0.3SS..Hα-helixtrans-88.4-18.9-176.700000114.1I444 N448 C468 V469I444-A472 HydrophobicContact CD1-CB 3.93Å; I444-A472 HydrophobicContact CG1-CB 4.38Å; I444-A472 HydrophobicContact CG2-CB 3.84Å; N448-A472 PolarHBondContact ND2-O 2.97Å; C468-A472 WeakPolarHBondContact O-CB 3.43Å; C468-A472 PolarHBondContact O-N 3.25Å; V469-A472 PolarHBondContact O-N 2.81Å; V469-A472 VanDerWaalsContact O-N 3.11Å
473L98.5Very high98.2Very high9 Ų947.5 Ų47.55%0.04729%0.286CS..  trans-74.2126.3178.4-75.2167.1000111.4P290 I292 A447 A456 V469 A475 V478P290-L473 HydrophobicContact CG-CD2 4.39Å; I292-L473 HydrophobicContact CD1-CD1 4.41Å; I292-L473 HydrophobicContact CD1-CD2 4.09Å; A447-L473 HydrophobicContact CB-CD2 3.62Å; A456-L473 HydrophobicContact CB-CB 4.42Å; A456-L473 HydrophobicContact CB-CD1 3.84Å; A456-L473 HydrophobicContact CB-CD2 4.48Å; A456-L473 HydrophobicContact CB-CG 4.49Å; V469-L473 HydrophobicContact CG1-CD1 3.65Å; V469-L473 HydrophobicContact CG1-CG 3.98Å; V469-L473 VanDerWaalsContact O-CG 3.26Å; V469-L473 WeakPolarHBondContact O-CG 3.41Å; V469-L473 PolarHBondContact O-N 3.01Å; L473-A475 PolarHBondContact O-N 3.32Å; L473-V478 HydrophobicContact CB-CG2 4.19Å; L473-V478 HydrophobicContact CD1-CG1 3.94Å
474E98.1Very high98Very high92 Ų9243.3 Ų43.343%0.4326%0.261SS..  trans-86.261.3-179.6-64.1174.6163.900111.3N448 G453 Y495 K496N448-E474 PolarHBondContact OD1-N 3.49Å; G453-E474 WeakPolarHBondContact CA-O 3.49Å; E474-Y495 VanDerWaalsContact C-CD2 3.45Å; E474-Y495 HydrophobicContact CB-CD2 4.28Å; E474-K496 WeakPolarHBondContact OE2-CE 3.15Å; E474-K496 IonicContact OE2-NZ 2.66Å; E474-K496 PolarHBondContact OE2-NZ 3.49Å
475A98.1Very high97.9Very high9 Ų940.5 Ų40.57%0.07425%0.248CC..  trans-130.5147.1176.800000111.3G453 A456 L473 T477 V478G453-A475 WeakPolarHBondContact O-CA 3.39Å; A456-A475 HydrophobicContact CB-CB 3.9Å; L473-A475 PolarHBondContact O-N 3.32Å; A475-T477 VanDerWaalsContact C-N 3.28Å; A475-T477 PolarHBondContact O-N 2.93Å; A475-V478 HydrophobicContact CB-CG2 4.41Å
476G97.2Very high97.7Very high23 Ų2338.9 Ų38.924%0.23724%0.242CC..SBendtrans-78.9-8.6-179.900000114.8G453 L454 G493G453-G476 PolarHBondContact O-N 3.43Å; L454-G476 PolarHBondContact O-N 3.45Å; G476-G493 CarbonylContact C-O 3.56Å; G476-G493 WeakPolarHBondContact CA-O 3.38Å
477T98Very high97.6Very high24 Ų2440.6 Ų40.615%0.14725%0.25CS..EExtended strand (participates in β ladder)trans-137.8129.5166.6-64.30000110L454 A455 A456 A475 W479L454-T477 PolarHBondContact O-N 2.82Å; L454-T477 VanDerWaalsContact O-N 3.12Å; A455-T477 CarbonylContact C-O 3.57Å; A455-T477 WeakPolarHBondContact CA-O 3.45Å; A456-T477 PolarHBondContact N-O 3.05Å; A475-T477 VanDerWaalsContact C-N 3.28Å; A475-T477 PolarHBondContact O-N 2.93Å; T477-W479 HydrophobicContact CG2-CD2 4.32Å; T477-W479 HydrophobicContact CG2-CZ2 3.92Å
478V98.4Very high97.5Very high42 Ų4235.7 Ų35.726%0.25523%0.225SC..EExtended strand (participates in β ladder)trans-125.1121.5174.4-172.70000109.8A456 A470 L473 A475A456-V478 HydrophobicContact CB-CG1 4.47Å; A456-V478 HydrophobicContact CB-CG2 4.35Å; A456-V478 WeakPolarHBondContact O-CA 3.45Å; A470-V478 HydrophobicContact CB-CB 4.44Å; A470-V478 HydrophobicContact CB-CG1 3.93Å; L473-V478 HydrophobicContact CB-CG2 4.19Å; L473-V478 HydrophobicContact CD1-CG1 3.94Å; A475-V478 HydrophobicContact CB-CG2 4.41Å
479W98.5Very high97.5Very high13 Ų1336.5 Ų36.55%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-93.3137.5173.8-61.9-64.4000111.3T319 A455 A456 A457 I458 T477 C482 Y483 H484 V485 V486T319-W479 HydrophobicContact CG2-CH2 4.08Å; A455-W479 HydrophobicContact CB-CE3 4.46Å; A455-W479 HydrophobicContact CB-CH2 3.84Å; A455-W479 HydrophobicContact CB-CZ3 3.67Å; A456-W479 PolarHBondContact O-N 3.44Å; A457-W479 CarbonylContact C-O 3.5Å; A457-W479 WeakPolarHBondContact CA-O 3.46Å; A457-W479 HydrophobicContact CB-CB 3.97Å; A457-W479 HydrophobicContact CB-CE3 4.46Å; A457-W479 WeakPolarHBondContact CB-O 3.08Å; I458-W479 PolarHBondContact N-O 2.97Å; T477-W479 HydrophobicContact CG2-CD2 4.32Å; T477-W479 HydrophobicContact CG2-CZ2 3.92Å; W479-C482 WeakPolarHBondContact CB-O 3.36Å; W479-Y483 AromaticContact CE3-CD1 3.81Å; W479-Y483 HydrophobicContact CE3-CD1 3.81Å; W479-Y483 HydrophobicContact CE3-CD2 4.11Å; W479-Y483 AromaticContact CE3-CE1 3.79Å; W479-Y483 HydrophobicContact CE3-CE1 3.79Å; W479-Y483 HydrophobicContact CE3-CE2 4.12Å; W479-Y483 AromaticContact CE3-CG 3.94Å; W479-Y483 HydrophobicContact CE3-CG 3.94Å; W479-Y483 AromaticContact CE3-CZ 3.91Å; W479-Y483 HydrophobicContact CH2-CD1 4.46Å; W479-Y483 HydrophobicContact CH2-CE1 4.34Å; W479-Y483 AromaticContact CZ3-CD1 3.63Å; W479-Y483 HydrophobicContact CZ3-CD1 3.63Å; W479-Y483 AromaticContact CZ3-CE1 3.36Å; W479-Y483 HydrophobicContact CZ3-CE1 3.36Å; W479-Y483 HydrophobicContact CZ3-CE2 4.43Å; W479-Y483 HydrophobicContact CZ3-CG 4.25Å; W479-Y483 AromaticContact CZ3-CZ 3.76Å; W479-H484 AromaticContact CH2-ND1 3.85Å; W479-V485 PolarHBondContact NE1-O 2.94Å; W479-V486 HydrophobicContact CZ2-CG2 4.32Å
480V98.6Very high97.4Very high56 Ų5638.7 Ų38.734%0.33924%0.239SC..EExtended strand (participates in β ladder)trans-112.6121.9172.8-179.90000107.7I458 A466 A470 C482I458-V480 HydrophobicContact CG2-CB 4.45Å; I458-V480 HydrophobicContact CG2-CG1 4.42Å; I458-V480 HydrophobicContact CG2-CG2 3.91Å; I458-V480 CarbonylContact O-C 3.54Å; I458-V480 WeakPolarHBondContact O-CA 3.3Å; A466-V480 HydrophobicContact CB-CG1 3.7Å; A466-V480 HydrophobicContact CB-CG2 4.5Å; A470-V480 HydrophobicContact CB-CG2 4.34Å; V480-C482 PolarHBondContact O-N 3.47Å; V480-C482 PolarHBondContact O-SG 2.99Å; V480-C482 VanDerWaalsContact O-SG 3.39Å
481N98.3Very high97.4Very high63 Ų6340.1 Ų40.134%0.33725%0.246SC..SBendtrans56.320.8-179.5-63.1-39000115.1H301 I458 F459 T460H301-N481 PolarHBondContact NE2-O 3.05Å; I458-N481 PolarHBondContact O-N 2.88Å; F459-N481 VanDerWaalsContact CA-OD1 3.29Å; F459-N481 WeakPolarHBondContact CA-OD1 3.45Å; T460-N481 PolarHBondContact N-OD1 3.43Å; T460-N481 PolarHBondContact O-ND2 3.37Å; T460-N481 PolarHBondContact O-OD1 3.43Å; T460-N481 VanDerWaalsContact O-OD1 3.09Å
482C98.3Very high97.4Very high41 Ų4136.6 Ų36.628%0.27722%0.218SC..  trans-151176.2175.860.10000110.1W479 V480 V485W479-C482 WeakPolarHBondContact CB-O 3.36Å; V480-C482 PolarHBondContact O-N 3.47Å; V480-C482 PolarHBondContact O-SG 2.99Å; V480-C482 VanDerWaalsContact O-SG 3.39Å; C482-V485 HydrophobicContact CB-CG2 3.86Å
483Y97.9Very high97.3Very high5 Ų534.7 Ų34.72%0.0220%0.203CC..SBendtrans-154.5149.2177.2-141.2-79.7000110.7S289 N291 T319 G321 A457 F459 W479 V485S289-Y483 VanDerWaalsContact CB-OH 3.26Å; S289-Y483 WeakPolarHBondContact CB-OH 3.37Å; N291-Y483 HydrophobicContact CB-CE2 3.86Å; T319-Y483 WeakPolarHBondContact O-CE1 3.26Å; T319-Y483 PolarHBondContact O-OH 3.19Å; G321-Y483 VanDerWaalsContact CA-CZ 3.41Å; G321-Y483 WeakPolarHBondContact CA-OH 3.39Å; G321-Y483 PolarHBondContact N-OH 2.78Å; A457-Y483 HydrophobicContact CB-CD2 3.4Å; A457-Y483 VanDerWaalsContact CB-CD2 3.4Å; A457-Y483 HydrophobicContact CB-CE2 3.26Å; F459-Y483 HydrophobicContact CE2-CD2 4.29Å; W479-Y483 AromaticContact CE3-CD1 3.81Å; W479-Y483 HydrophobicContact CE3-CD1 3.81Å; W479-Y483 HydrophobicContact CE3-CD2 4.11Å; W479-Y483 AromaticContact CE3-CE1 3.79Å; W479-Y483 HydrophobicContact CE3-CE1 3.79Å; W479-Y483 HydrophobicContact CE3-CE2 4.12Å; W479-Y483 AromaticContact CE3-CG 3.94Å; W479-Y483 HydrophobicContact CE3-CG 3.94Å; W479-Y483 AromaticContact CE3-CZ 3.91Å; W479-Y483 HydrophobicContact CH2-CD1 4.46Å; W479-Y483 HydrophobicContact CH2-CE1 4.34Å; W479-Y483 AromaticContact CZ3-CD1 3.63Å; W479-Y483 HydrophobicContact CZ3-CD1 3.63Å; W479-Y483 AromaticContact CZ3-CE1 3.36Å; W479-Y483 HydrophobicContact CZ3-CE1 3.36Å; W479-Y483 HydrophobicContact CZ3-CE2 4.43Å; W479-Y483 HydrophobicContact CZ3-CG 4.25Å; W479-Y483 AromaticContact CZ3-CZ 3.76Å; Y483-V485 PolarHBondContact O-N 2.96Å; Y483-V485 VanDerWaalsContact O-N 3.14Å
484H94.8Very high97.1Very high6 Ų634.4 Ų34.43%0.02820%0.202CC..SBendtrans53.828.7-178.3-66.3-42.5000114.4F308 G309 T319 W479 V486F308-H484 HydrophobicContact CE1-CB 3.9Å; F308-H484 AromaticContact CE1-CD2 3.99Å; G309-H484 PolarHBondContact O-NE2 3.41Å; T319-H484 PolarHBondContact O-CE1 3.08Å; T319-H484 PolarHBondContact OG1-CE1 2.82Å; T319-H484 PolarHBondContact OG1-ND1 2.71Å; W479-H484 AromaticContact CH2-ND1 3.85Å; H484-V486 PolarHBondContact O-N 3.44Å
485V95.3Very high96.8Very high56 Ų5635 Ų3534%0.33920%0.201SC..  trans-82.4100.1170.8-179.70000107.4W479 C482 Y483W479-V485 PolarHBondContact NE1-O 2.94Å; C482-V485 HydrophobicContact CB-CG2 3.86Å; Y483-V485 PolarHBondContact O-N 2.96Å; Y483-V485 VanDerWaalsContact O-N 3.14Å
486V94.2Very high96.8Very high21 Ų2138.6 Ų38.613%0.12722%0.215CC..  trans-117133.7179.8-172.20000108.5F135 W479 H484F135-V486 HydrophobicContact CE1-CG1 4.48Å; F135-V486 WeakPolarHBondContact CE2-O 3.26Å; F135-V486 HydrophobicContact CZ-CB 4.2Å; F135-V486 HydrophobicContact CZ-CG1 3.98Å; W479-V486 HydrophobicContact CZ2-CG2 4.32Å; H484-V486 PolarHBondContact O-N 3.44Å
487N95.7Very high96.8Very high45 Ų4541.3 Ų41.324%0.24122%0.222CC..  trans-134.4138.8-176.2-72.1-70.7000109.6R138 Q489 A490R138-N487 PolarHBondContact NH2-OD1 3.39Å; N487-Q489 PolarHBondContact O-N 3.22Å; N487-Q489 VanDerWaalsContact O-N 3.07Å; N487-A490 HydrophobicContact CB-CB 4.45Å; N487-A490 PolarHBondContact O-N 3.21Å
488P97.5Very high96.8Very high0 Ų040.2 Ų40.20%022%0.215CC..THydrogen-bonded Turntrans-60.7-21.8176.5-23.734.9000113.2F135 R138 I139 Y142 S505F135-P488 HydrophobicContact CE2-CG 4.2Å; R138-P488 HydrophobicContact CG-CG 4.19Å; I139-P488 HydrophobicContact CB-CG 4.41Å; I139-P488 HydrophobicContact CG1-CB 4.32Å; I139-P488 HydrophobicContact CG1-CG 3.76Å; Y142-P488 HydrophobicContact CD1-CB 3.79Å; Y142-P488 WeakPolarHBondContact CD1-O 3.48Å; Y142-P488 WeakPolarHBondContact CE1-O 3.38Å; Y142-P488 HydrophobicContact CG-CB 3.73Å; P488-S505 WeakPolarHBondContact O-CA 3.48Å; P488-S505 PolarHBondContact O-N 3Å
489Q96.9Very high96.8Very high97 Ų9738.5 Ų38.545%0.45321%0.206SC..THydrogen-bonded Turntrans-75.8-23.5178.1-62.383.9-1.200114Y142 N487 S505Y142-Q489 HydrophobicContact CD2-CG 3.9Å; Y142-Q489 HydrophobicContact CE2-CB 4.23Å; Y142-Q489 HydrophobicContact CE2-CG 3.65Å; N487-Q489 PolarHBondContact O-N 3.22Å; N487-Q489 VanDerWaalsContact O-N 3.07Å; Q489-S505 WeakPolarHBondContact O-CB 3.23Å
490A97.7Very high96.7Very high46 Ų4641.9 Ų41.938%0.3822%0.224SC..SBendtrans-102.5133.2-174.800000109.5N487 F492 H504N487-A490 HydrophobicContact CB-CB 4.45Å; N487-A490 PolarHBondContact O-N 3.21Å; A490-F492 PolarHBondContact O-N 3.07Å; A490-H504 WeakPolarHBondContact O-CB 3.29Å
491P97.5Very high96.6Very high58 Ų5839.9 Ų39.938%0.37722%0.215SC..  trans-61.3139.7176.824.3-32.2000109.6R502 S505 E507P491-R502 HydrophobicContact CB-CB 4.5Å; P491-R502 HydrophobicContact CB-CG 4.45Å; P491-S505 WeakPolarHBondContact CA-OG 3.45Å; P491-S505 WeakPolarHBondContact CB-OG 3.31Å; P491-E507 HydrophobicContact CB-CB 4.15Å; P491-E507 HydrophobicContact CB-CG 4.34Å
492F98.1Very high96.6Very high22 Ų2239.9 Ų39.910%0.09621%0.21CC..BIsolated β-bridgetrans-122.6138.3175.6-175.3-94.2000109.4E284 T319 L454 A490 R502 E503E284-F492 VanDerWaalsContact OE2-CE1 3.27Å; E284-F492 WeakPolarHBondContact OE2-CE1 3.17Å; T319-F492 HydrophobicContact CG2-CE2 3.76Å; T319-F492 HydrophobicContact CG2-CZ 3.49Å; T319-F492 VanDerWaalsContact CG2-CZ 3.49Å; L454-F492 HydrophobicContact CD1-CE1 3.97Å; L454-F492 HydrophobicContact CD1-CZ 3.93Å; L454-F492 HydrophobicContact CD2-CZ 4.18Å; L454-F492 HydrophobicContact CG-CZ 4.09Å; A490-F492 PolarHBondContact O-N 3.07Å; F492-R502 CarbonylContact O-C 3.5Å; F492-R502 WeakPolarHBondContact O-CA 3.49Å; F492-R502 WeakPolarHBondContact O-CD 3.23Å; F492-E503 PolarHBondContact N-O 3.45Å; F492-E503 PolarHBondContact O-N 3.2Å
493G96Very high96.5Very high0 Ų038.2 Ų38.20%020%0.198CC..  trans157.2171171.800000113.5E284 G476E284-G493 WeakPolarHBondContact OE1-CA 3.08Å; E284-G493 WeakPolarHBondContact OE2-CA 3.16Å; G476-G493 CarbonylContact C-O 3.56Å; G476-G493 WeakPolarHBondContact CA-O 3.38Å
494G94.2Very high96.5Very high3 Ų338.3 Ų38.33%0.03120%0.199CC..  trans-100.6170.2-168.300000116.2G453 R502G453-G494 CarbonylContact O-C 3.49Å; G453-G494 WeakPolarHBondContact O-CA 3.46Å; G494-R502 PolarHBondContact O-NH1 3.32Å
495Y92.2Very high96.6Very high104 Ų10438 Ų3841%0.40820%0.198SC..SBendtrans-102.7173.3162.4-67.53.9000110G453 E474 Q497 S498G453-Y495 PolarHBondContact O-N 3.15Å; E474-Y495 VanDerWaalsContact C-CD2 3.45Å; E474-Y495 HydrophobicContact CB-CD2 4.28Å; Y495-Q497 PolarHBondContact O-N 2.98Å; Y495-S498 WeakPolarHBondContact O-CB 3.29Å; Y495-S498 PolarHBondContact O-N 3.43Å
496K97Very high96.7Very high85 Ų8538.1 Ų38.137%0.3720%0.196SC..G310 helixtrans54.3-127.9171.8-55.5174.8-177.5170.80111.7N448 T450 H451 E474 S498N448-K496 PolarHBondContact O-NZ 3.39Å; T450-K496 WeakPolarHBondContact O-CD 3.43Å; T450-K496 PolarHBondContact O-NZ 2.92Å; H451-K496 WeakPolarHBondContact O-CB 3.35Å; E474-K496 WeakPolarHBondContact OE2-CE 3.15Å; E474-K496 IonicContact OE2-NZ 2.66Å; E474-K496 PolarHBondContact OE2-NZ 3.49Å; K496-S498 VanDerWaalsContact C-N 3.32Å
497Q97.6Very high96.8Very high81 Ų8140.9 Ų40.938%0.37921%0.207SC..G310 helixtrans-91.310.8178.4-55.5-168.429.900113.4T263 H451 Y495 G499T263-Q497 HydrophobicContact CG2-CB 3.85Å; T263-Q497 WeakPolarHBondContact CG2-O 3.14Å; T263-Q497 PolarHBondContact OG1-O 3.36Å; H451-Q497 HydrophobicContact CB-CB 4.48Å; H451-Q497 HydrophobicContact CB-CG 4.25Å; H451-Q497 WeakPolarHBondContact O-CB 3.26Å; H451-Q497 PolarHBondContact O-N 2.72Å; Y495-Q497 PolarHBondContact O-N 2.98Å; Q497-G499 VanDerWaalsContact C-N 3.34Å
498S98.4Very high96.9Very high0 Ų038.8 Ų38.80%020%0.196CC..G310 helixtrans-85.8-2.2172.7-76.10000113.9L285 G286 Y452 G453 L454 Y495 K496L285-S498 WeakPolarHBondContact CA-O 3.46Å; L285-S498 WeakPolarHBondContact CB-O 3.26Å; L285-S498 PolarHBondContact N-O 3.48Å; G286-S498 WeakPolarHBondContact O-CB 3.31Å; G286-S498 PolarHBondContact O-OG 2.99Å; Y452-S498 WeakPolarHBondContact CA-OG 3.33Å; G453-S498 PolarHBondContact N-OG 3.34Å; L454-S498 PolarHBondContact N-OG 2.92Å; Y495-S498 WeakPolarHBondContact O-CB 3.29Å; Y495-S498 PolarHBondContact O-N 3.43Å; K496-S498 VanDerWaalsContact C-N 3.32Å
499G97.2Very high96.9Very high7 Ų738.8 Ų38.87%0.07220%0.196CC..EExtended strand (participates in β ladder)trans147.3175.5173.200000115L283 Q497L283-G499 CarbonylContact O-C 3.51Å; L283-G499 WeakPolarHBondContact O-CA 3.22Å; Q497-G499 VanDerWaalsContact C-N 3.34Å
500I97Very high96.9Very high84 Ų8438.9 Ų38.943%0.43120%0.195SC..EExtended strand (participates in β ladder)trans-139.8134.3176.3-58.5176.9000107.8M270 T282 L283M270-I500 HydrophobicContact CE-CD1 3.97Å; M270-I500 HydrophobicContact SD-CD1 3.99Å; T282-I500 CarbonylContact C-O 3.5Å; T282-I500 WeakPolarHBondContact CA-O 3.21Å; L283-I500 PolarHBondContact N-O 3.32Å; L283-I500 PolarHBondContact O-N 3.43Å
501G97.2Very high96.9Very high14 Ų1439.3 Ų39.314%0.14419%0.189CC..SBendtrans87.7-172.7-175.100000112.6E511G501-E511 WeakPolarHBondContact CA-OE1 3.31Å
502R97.5Very high97Very high63 Ų6336.8 Ų36.824%0.23817%0.172CC..  trans-132.8148.4178-62.5-64.9175-108.95.1111.7P491 F492 G494 E507 G508 E511P491-R502 HydrophobicContact CB-CB 4.5Å; P491-R502 HydrophobicContact CB-CG 4.45Å; F492-R502 CarbonylContact O-C 3.5Å; F492-R502 WeakPolarHBondContact O-CA 3.49Å; F492-R502 WeakPolarHBondContact O-CD 3.23Å; G494-R502 PolarHBondContact O-NH1 3.32Å; R502-E507 HydrophobicContact CB-CB 4.24Å; R502-E507 HydrophobicContact CG-CB 4.48Å; R502-G508 VanDerWaalsContact O-CA 3.26Å; R502-G508 WeakPolarHBondContact O-CA 3.44Å; R502-E511 WeakPolarHBondContact O-CG 3.38Å
503E97.2Very high97Very high5 Ų536 Ų362%0.02317%0.169CC..BIsolated β-bridgetrans-104.7168.7162.1-63.8-165.9156.900110K189 E284 F492K189-E503 IonicContact NZ-OE1 2.7Å; K189-E503 PolarHBondContact NZ-OE1 3.15Å; E284-E503 HydrophobicContact CG-CB 4.5Å; E284-E503 VanDerWaalsContact CG-CD 3.46Å; E284-E503 HydrophobicContact CG-CG 3.64Å; F492-E503 PolarHBondContact N-O 3.45Å; F492-E503 PolarHBondContact O-N 3.2Å
504H97Very high97Very high7 Ų739.8 Ų39.83%0.03219%0.187CC..SBendtrans60.7176.8-176.5-55.1-33.5000113.6A490 G508A490-H504 WeakPolarHBondContact O-CB 3.29Å; H504-G508 WeakPolarHBondContact O-CA 3.33Å; H504-G508 PolarHBondContact O-N 3.49Å
505S97.5Very high97.2Very high1 Ų144.2 Ų44.21%0.00721%0.213CC..Hα-helixtrans52-169.9178.679.30000115.7F143 P488 Q489 P491 E507 V509F143-S505 WeakPolarHBondContact CE1-O 3.08Å; P488-S505 WeakPolarHBondContact O-CA 3.48Å; P488-S505 PolarHBondContact O-N 3Å; Q489-S505 WeakPolarHBondContact O-CB 3.23Å; P491-S505 WeakPolarHBondContact CA-OG 3.45Å; P491-S505 WeakPolarHBondContact CB-OG 3.31Å; S505-E507 VanDerWaalsContact C-N 3.34Å; S505-E507 WeakPolarHBondContact CB-OE2 3.25Å; S505-E507 PolarHBondContact OG-N 3.35Å; S505-E507 PolarHBondContact OG-OE2 3.08Å; S505-V509 PolarHBondContact O-N 2.99Å
506L96.5Very high97.5Very high58 Ų5842.8 Ų42.830%0.30421%0.209SC..Hα-helixtrans-68.6-34.8172.3177.761.2000111.6L146 L150 G508 V509 K510L146-L506 HydrophobicContact CD1-CD1 4.36Å; L146-L506 HydrophobicContact CD2-CD1 4.32Å; L150-L506 HydrophobicContact CD2-CD1 3.76Å; L506-G508 VanDerWaalsContact C-N 3.34Å; L506-G508 PolarHBondContact O-N 3.49Å; L506-V509 PolarHBondContact O-N 3.33Å; L506-K510 HydrophobicContact CG-CD 4.43Å; L506-K510 WeakPolarHBondContact O-CG 3.47Å; L506-K510 PolarHBondContact O-N 3.31Å
507E96.8Very high97.5Very high79 Ų7942.3 Ų42.337%0.36921%0.214SC..Hα-helixtrans-57.9-46.1176.9-6961.6-13400110.8P491 R502 S505 V509 K510 E511P491-E507 HydrophobicContact CB-CB 4.15Å; P491-E507 HydrophobicContact CB-CG 4.34Å; R502-E507 HydrophobicContact CB-CB 4.24Å; R502-E507 HydrophobicContact CG-CB 4.48Å; S505-E507 VanDerWaalsContact C-N 3.34Å; S505-E507 WeakPolarHBondContact CB-OE2 3.25Å; S505-E507 PolarHBondContact OG-N 3.35Å; S505-E507 PolarHBondContact OG-OE2 3.08Å; E507-V509 PolarHBondContact O-N 2.84Å; E507-K510 WeakPolarHBondContact O-CB 3.45Å; E507-K510 PolarHBondContact O-N 3.41Å; E507-E511 PolarHBondContact O-N 3.39Å
508G97.4Very high97.6Very high1 Ų140.3 Ų40.31%0.0121%0.207CC..Hα-helixtrans-70.6-25.917800000114R502 H504 L506 E511 Y512R502-G508 VanDerWaalsContact O-CA 3.26Å; R502-G508 WeakPolarHBondContact O-CA 3.44Å; H504-G508 WeakPolarHBondContact O-CA 3.33Å; H504-G508 PolarHBondContact O-N 3.49Å; L506-G508 VanDerWaalsContact C-N 3.34Å; L506-G508 PolarHBondContact O-N 3.49Å; G508-E511 WeakPolarHBondContact O-CB 3.39Å; G508-Y512 WeakPolarHBondContact O-CD2 3.38Å; G508-Y512 WeakPolarHBondContact O-CE2 3.2Å
509V97.9Very high97.5Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-69.3-39.2169.2-173.90000111.4F143 L146 L150 P192 C195 A196 S505 L506 E507 E511 Y512F143-V509 HydrophobicContact CD1-CG2 3.5Å; F143-V509 VanDerWaalsContact CD1-CG2 3.5Å; F143-V509 HydrophobicContact CE1-CG2 3.3Å; F143-V509 HydrophobicContact CZ-CG2 4.49Å; L146-V509 HydrophobicContact CD2-CG2 3.55Å; L150-V509 HydrophobicContact CD1-CG1 3.62Å; L150-V509 HydrophobicContact CD2-CB 4.29Å; L150-V509 HydrophobicContact CD2-CG1 3.77Å; L150-V509 HydrophobicContact CG-CG1 4.34Å; P192-V509 HydrophobicContact CB-CB 4.48Å; P192-V509 HydrophobicContact CB-CG2 3.97Å; C195-V509 HydrophobicContact CB-CG1 4.48Å; A196-V509 HydrophobicContact CB-CG1 4.1Å; S505-V509 PolarHBondContact O-N 2.99Å; L506-V509 PolarHBondContact O-N 3.33Å; E507-V509 PolarHBondContact O-N 2.84Å; V509-E511 PolarHBondContact O-N 3.32Å; V509-Y512 WeakPolarHBondContact O-CA 3.44Å; V509-Y512 WeakPolarHBondContact O-CB 3.36Å; V509-Y512 PolarHBondContact O-N 3.48Å
510K97Very high97.4Very high99 Ų9950.4 Ų50.443%0.4325%0.251SS..Hα-helixtrans-60.1-28.5-179.4-72.3166.9177.1164.50112.3L506 E507 Y512 C513L506-K510 HydrophobicContact CG-CD 4.43Å; L506-K510 WeakPolarHBondContact O-CG 3.47Å; L506-K510 PolarHBondContact O-N 3.31Å; E507-K510 WeakPolarHBondContact O-CB 3.45Å; E507-K510 PolarHBondContact O-N 3.41Å; K510-Y512 PolarHBondContact O-N 3.37Å; K510-C513 PolarHBondContact O-N 3.05Å
511E97.8Very high97.3Very high55 Ų5551.8 Ų51.826%0.25726%0.258SS..THydrogen-bonded Turntrans-60.1-21.6172.1-65.5-64.2162.800113.7K256 T282 G501 R502 E507 G508 V509K256-E511 WeakPolarHBondContact CD-O 3.25Å; K256-E511 WeakPolarHBondContact CE-O 3.35Å; K256-E511 PolarHBondContact NZ-O 3.05Å; T282-E511 PolarHBondContact OG1-OE2 2.84Å; G501-E511 WeakPolarHBondContact CA-OE1 3.31Å; R502-E511 WeakPolarHBondContact O-CG 3.38Å; E507-E511 PolarHBondContact O-N 3.39Å; G508-E511 WeakPolarHBondContact O-CB 3.39Å; V509-E511 PolarHBondContact O-N 3.32Å
512Y98.6Very high96.9Very high4 Ų455.3 Ų55.32%0.01627%0.273CS..THydrogen-bonded Turntrans-99.77.4176.4-62.1-92.6000112.9V170 C173 P192 A193 C198 K256 T258 G508 V509 K510V170-Y512 PolarHBondContact N-O 2.79Å; C173-Y512 HydrophobicContact CB-CD1 4.46Å; C173-Y512 HydrophobicContact CB-CE1 4.4Å; P192-Y512 HydrophobicContact CB-CD2 3.76Å; P192-Y512 HydrophobicContact CB-CE2 3.69Å; P192-Y512 HydrophobicContact CG-CD2 4.14Å; P192-Y512 HydrophobicContact CG-CE2 3.54Å; A193-Y512 HydrophobicContact CB-CD1 3.66Å; A193-Y512 HydrophobicContact CB-CE1 3.68Å; A193-Y512 HydrophobicContact CB-CG 4.35Å; C198-Y512 PolarHBondContact SG-O 3.21Å; K256-Y512 HydrophobicContact CD-CD1 3.62Å; K256-Y512 HydrophobicContact CD-CE1 3.88Å; K256-Y512 HydrophobicContact CD-CG 4.2Å; T258-Y512 HydrophobicContact CG2-CE1 4.39Å; T258-Y512 WeakPolarHBondContact CG2-OH 3.32Å; G508-Y512 WeakPolarHBondContact O-CD2 3.38Å; G508-Y512 WeakPolarHBondContact O-CE2 3.2Å; V509-Y512 WeakPolarHBondContact O-CA 3.44Å; V509-Y512 WeakPolarHBondContact O-CB 3.36Å; V509-Y512 PolarHBondContact O-N 3.48Å; K510-Y512 PolarHBondContact O-N 3.37Å
513C98.3Very high96.2Very high5 Ų559.2 Ų59.23%0.03430%0.299CS..EExtended strand (participates in β ladder)trans-115.2151.3-179.9-61.60000112.1L167 E168 K280 K510L167-C513 HydrophobicContact CB-CB 4.33Å; L167-C513 HydrophobicContact CD2-CB 4.35Å; E168-C513 CarbonylContact O-C 3.52Å; E168-C513 WeakPolarHBondContact O-CA 3.49Å; K280-C513 PolarHBondContact NZ-O 2.87Å; K510-C513 PolarHBondContact O-N 3.05Å
514E97.7Very high94.7Very high81 Ų8162.9 Ų62.938%0.37932%0.321SS..EExtended strand (participates in β ladder)trans-97.7140.2157.1-66.5-57.7155.100109.9L167 E168 K280L167-E514 WeakPolarHBondContact CA-O 3.48Å; E168-E514 PolarHBondContact N-O 3.37Å; E168-E514 PolarHBondContact O-N 3.49Å; K280-E514 WeakPolarHBondContact CE-OE1 3.31Å; K280-E514 IonicContact NZ-OE1 3.74Å; K280-E514 PolarHBondContact NZ-OE1 2.93Å; K280-E514 IonicContact NZ-OE2 3.77Å; K280-E514 PolarHBondContact NZ-OE2 3.48Å
515V97.7Very high93.4Very high95 Ų9568.4 Ų68.458%0.57635%0.35SS*.EExtended strand (participates in β ladder)trans-94.6116171.1-173.10000107.8T165 L166 L167T165-V515 HydrophobicContact CG2-CG1 3.93Å; L166-V515 WeakPolarHBondContact O-CA 3.29Å; L167-V515 HydrophobicContact CD2-CB 4.48Å; L167-V515 HydrophobicContact CD2-CG2 3.75Å
516K98.1Very high91.8Very high75 Ų7574.7 Ų74.733%0.32639%0.389SS..EExtended strand (participates in β ladder)trans-106.4126.7174.6175.8-177.9-64.4169.10109.9T165 L166 E168 V518T165-K516 CarbonylContact C-O 3.41Å; T165-K516 WeakPolarHBondContact CA-O 3.24Å; L166-K516 HydrophobicContact CB-CB 4.38Å; L166-K516 HydrophobicContact CD1-CD 4.42Å; L166-K516 PolarHBondContact N-O 3.33Å; L166-K516 PolarHBondContact O-N 3.06Å; E168-K516 WeakPolarHBondContact OE1-CE 3.48Å; E168-K516 IonicContact OE1-NZ 2.74Å; E168-K516 PolarHBondContact OE1-NZ 2.89Å; E168-K516 WeakPolarHBondContact OE2-CE 3.35Å; E168-K516 IonicContact OE2-NZ 2.82Å; E168-K516 PolarHBondContact OE2-NZ 3.48Å; K516-V518 HydrophobicContact CD-CG2 4.4Å; K516-V518 HydrophobicContact CG-CG2 4.35Å
517T98.2Very high90.3Very high75 Ų7575.2 Ų75.246%0.4641%0.408SS..EExtended strand (participates in β ladder)trans-91.3137.9170-55.10000110.1I155 Y164 E519I155-T517 HydrophobicContact CD1-CG2 4.46Å; Y164-T517 WeakPolarHBondContact O-CA 3.36Å; T517-E519 HydrophobicContact CG2-CG 4.06Å
518V98.1Very high88.9Confident38 Ų3878 Ų7823%0.2343%0.425CS..EExtended strand (participates in β ladder)trans-125.9129.7172.8-171.20000108A163 Y164 L166 K516 F520A163-V518 WeakPolarHBondContact CA-O 3.38Å; Y164-V518 HydrophobicContact CE1-CB 4.06Å; Y164-V518 HydrophobicContact CE1-CG1 4.26Å; Y164-V518 HydrophobicContact CE2-CB 4.05Å; Y164-V518 HydrophobicContact CE2-CG2 4.02Å; Y164-V518 PolarHBondContact N-O 3.42Å; Y164-V518 PolarHBondContact O-N 3.15Å; L166-V518 HydrophobicContact CD1-CG2 4.2Å; K516-V518 HydrophobicContact CD-CG2 4.4Å; K516-V518 HydrophobicContact CG-CG2 4.35Å; V518-F520 HydrophobicContact CB-CE2 4.46Å; V518-F520 HydrophobicContact CG1-CD2 4.2Å; V518-F520 HydrophobicContact CG1-CE2 3.48Å; V518-F520 VanDerWaalsContact CG1-CE2 3.48Å; V518-F520 HydrophobicContact CG1-CZ 4.12Å
519E97.4Very high87Confident118 Ų11887.9 Ų87.955%0.55148%0.477SS*.EExtended strand (participates in β ladder)trans-123.1133.2-179.3-59-173178.400110.3F162 A163 T517F162-E519 WeakPolarHBondContact O-CA 3.11Å; A163-E519 HydrophobicContact CB-CG 3.89Å; T517-E519 HydrophobicContact CG2-CG 4.06Å
520F95.5Very high86.4Confident101 Ų10192.3 Ų92.344%0.44350%0.501SS..EExtended strand (participates in β ladder)trans-112126.7175.6-70.3-99.4000109F161 F162 Y164 V518 L522F161-F520 CarbonylContact C-O 3.58Å; F161-F520 VanDerWaalsContact CA-O 3.27Å; F161-F520 WeakPolarHBondContact CA-O 3.49Å; F162-F520 HydrophobicContact CB-CB 4.41Å; F162-F520 HydrophobicContact CD1-CD2 4.27Å; F162-F520 PolarHBondContact N-O 2.85Å; F162-F520 PolarHBondContact O-N 3.24Å; Y164-F520 HydrophobicContact CD1-CE2 4.47Å; Y164-F520 HydrophobicContact CE1-CD2 4.08Å; Y164-F520 AromaticContact CE1-CE2 3.49Å; Y164-F520 HydrophobicContact CE1-CE2 3.49Å; Y164-F520 VanDerWaalsContact CE1-CE2 3.49Å; Y164-F520 HydrophobicContact CE1-CZ 4.49Å; V518-F520 HydrophobicContact CB-CE2 4.46Å; V518-F520 HydrophobicContact CG1-CD2 4.2Å; V518-F520 HydrophobicContact CG1-CE2 3.48Å; V518-F520 VanDerWaalsContact CG1-CE2 3.48Å; V518-F520 HydrophobicContact CG1-CZ 4.12Å; F520-L522 PolarHBondContact O-N 3.09Å
521L94.1Very high85.9Confident113 Ų11391.9 Ų91.959%0.59251%0.505SS*.EExtended strand (participates in β ladder)trans-67.2120.4162177.764.4000108.3P160 F161P160-L521 HydrophobicContact CG-CD1 4.08Å; F161-L521 HydrophobicContact CD1-CB 4.27Å; F161-L521 HydrophobicContact CD1-CD1 4.17Å; F161-L521 HydrophobicContact CE1-CB 4.04Å; F161-L521 HydrophobicContact CE1-CD1 3.63Å; F161-L521 HydrophobicContact CE1-CG 4.43Å; F161-L521 HydrophobicContact CZ-CD1 4.03Å
522L89Confident85.2Confident89 Ų8993.9 Ų93.947%0.46652%0.518SS..  trans-87.2122.8172.5-56.8179.7000108.2P160 F162 F520 V524P160-L522 VanDerWaalsContact O-CB 3.32Å; P160-L522 WeakPolarHBondContact O-CB 3.42Å; P160-L522 PolarHBondContact O-N 3.12Å; F162-L522 HydrophobicContact CB-CD1 4.06Å; F162-L522 HydrophobicContact CB-CD2 3.83Å; F162-L522 HydrophobicContact CB-CG 4.08Å; F520-L522 PolarHBondContact O-N 3.09Å; L522-V524 PolarHBondContact O-N 2.66Å; L522-V524 VanDerWaalsContact O-N 3.09Å
523N82Confident84.4Confident145 Ų14599.2 Ų99.278%0.77555%0.548SS*.  trans-66.4112.8168.2-71.5-25.7000107.7I525N523-I525 PolarHBondContact O-N 2.6Å; N523-I525 VanDerWaalsContact O-N 3.11Å
524V66.8Low83.6Confident81 Ų81105.1 Ų105.149%0.49158%0.58SS.*  trans-62.5114.5174.1-174.20000107.1P160 L522 T526P160-V524 HydrophobicContact CB-CG2 3.66Å; P160-V524 HydrophobicContact CG-CG2 4.33Å; L522-V524 PolarHBondContact O-N 2.66Å; L522-V524 VanDerWaalsContact O-N 3.09Å; V524-T526 PolarHBondContact O-N 2.63Å
525I68.3Low82.6Confident124 Ų124106.7 Ų106.764%0.63659%0.594SS**  trans-68.3103.9164.9-60.5175.5000105.1N523 G527 L528N523-I525 PolarHBondContact O-N 2.6Å; N523-I525 VanDerWaalsContact O-N 3.11Å; I525-G527 PolarHBondContact O-N 2.95Å; I525-G527 VanDerWaalsContact O-N 3.15Å; I525-L528 HydrophobicContact CB-CD1 4Å; I525-L528 HydrophobicContact CD1-CD1 4.18Å; I525-L528 HydrophobicContact CG2-CD1 4.02Å; I525-L528 HydrophobicContact CG2-CG 4.34Å
526T65.4Low81.5Confident133 Ų133107.6 Ų107.682%0.81660%0.595SS**THydrogen-bonded Turntrans-55.3119.8178.451.30000109.7V524V524-T526 PolarHBondContact O-N 2.63Å
527G65.2Low80.3Confident69 Ų69110.1 Ų110.171%0.71162%0.615SS**THydrogen-bonded Turntrans107.315.2175.400000117I525I525-G527 PolarHBondContact O-N 2.95Å; I525-G527 VanDerWaalsContact O-N 3.15Å
528L66.6Low78.8Confident137 Ų137113 Ų11372%0.71763%0.628SS**  trans-106.61.8170.9-72.7175.7000114.2I525I525-L528 HydrophobicContact CB-CD1 4Å; I525-L528 HydrophobicContact CD1-CD1 4.18Å; I525-L528 HydrophobicContact CG2-CD1 4.02Å; I525-L528 HydrophobicContact CG2-CG 4.34Å
529D56.9Low77Confident208 Ų208119.8 Ų119.8100%1.11267%0.665SS**  trans-83.70164.4-44.9-16.4000108.4

Retrieved 529 of 529 residues in 1263.2 ms (Link to these results)

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